USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 5 SER OG : rot 180:sc= -0.141 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 14 SER OG : rot 180:sc= -0.794 USER MOD Single : A 16 THR OG1 : rot 171:sc= -0.2 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 160:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc=-0.00415 (180deg=-0.102) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -4.14! C(o=-4.1!,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc=-0.00611 (180deg=-0.113) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00472 (180deg=-0.146) USER MOD Single : A 41 CYS SG : rot -120:sc= -3.95! USER MOD Single : A 43 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.79) USER MOD Single : A 44 ASN : amide:sc= -3.31 K(o=-3.3,f=-11!) USER MOD Single : A 51 THR OG1 : rot -136:sc= 1.53 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 57 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -160:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 130:sc= -1.54! (180deg=-1.74!) USER MOD Single : A 73 CYS SG : rot 69:sc= -0.818 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 80 HIS : no HE2:sc= -0.515 X(o=-0.51,f=-0.78) USER MOD Single : A 83 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.45) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 9:sc= -0.491 USER MOD Single : A 92 SER OG : rot -54:sc= 0.0197 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.432 -0.969 -25.459 1.00 0.00 N ATOM 2 CA GLY A 1 3.573 -0.212 -25.937 1.00 0.00 C ATOM 3 C GLY A 1 4.151 -0.779 -27.219 1.00 0.00 C ATOM 4 O GLY A 1 4.928 -1.733 -27.189 1.00 0.00 O ATOM 0 H1 GLY A 1 2.074 -0.541 -24.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.682 -0.959 -26.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.720 -1.951 -25.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.274 0.823 -26.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.345 -0.201 -25.168 1.00 0.00 H new ATOM 8 N SER A 2 3.768 -0.193 -28.349 1.00 0.00 N ATOM 9 CA SER A 2 4.249 -0.649 -29.648 1.00 0.00 C ATOM 10 C SER A 2 5.624 -0.064 -29.955 1.00 0.00 C ATOM 11 O SER A 2 6.585 -0.797 -30.189 1.00 0.00 O ATOM 12 CB SER A 2 3.259 -0.260 -30.747 1.00 0.00 C ATOM 13 OG SER A 2 3.408 -1.091 -31.885 1.00 0.00 O ATOM 0 H SER A 2 3.126 0.599 -28.391 1.00 0.00 H new ATOM 0 HA SER A 2 4.336 -1.735 -29.615 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.240 -0.337 -30.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.415 0.781 -31.030 1.00 0.00 H new ATOM 0 HG SER A 2 2.763 -0.823 -32.572 1.00 0.00 H new ATOM 19 N SER A 3 5.709 1.263 -29.952 1.00 0.00 N ATOM 20 CA SER A 3 6.965 1.949 -30.234 1.00 0.00 C ATOM 21 C SER A 3 7.791 2.114 -28.962 1.00 0.00 C ATOM 22 O SER A 3 7.340 1.779 -27.868 1.00 0.00 O ATOM 23 CB SER A 3 6.693 3.318 -30.860 1.00 0.00 C ATOM 24 OG SER A 3 7.822 3.782 -31.580 1.00 0.00 O ATOM 0 H SER A 3 4.924 1.884 -29.758 1.00 0.00 H new ATOM 0 HA SER A 3 7.532 1.341 -30.939 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.834 3.252 -31.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.436 4.034 -30.079 1.00 0.00 H new ATOM 0 HG SER A 3 7.623 4.658 -31.972 1.00 0.00 H new ATOM 30 N GLY A 4 9.006 2.632 -29.116 1.00 0.00 N ATOM 31 CA GLY A 4 9.877 2.833 -27.973 1.00 0.00 C ATOM 32 C GLY A 4 9.686 4.192 -27.330 1.00 0.00 C ATOM 33 O GLY A 4 9.443 4.289 -26.127 1.00 0.00 O ATOM 0 H GLY A 4 9.402 2.916 -30.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.687 2.055 -27.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.915 2.726 -28.288 1.00 0.00 H new ATOM 37 N SER A 5 9.796 5.246 -28.133 1.00 0.00 N ATOM 38 CA SER A 5 9.639 6.607 -27.633 1.00 0.00 C ATOM 39 C SER A 5 8.469 6.696 -26.658 1.00 0.00 C ATOM 40 O SER A 5 8.589 7.277 -25.580 1.00 0.00 O ATOM 41 CB SER A 5 9.424 7.578 -28.796 1.00 0.00 C ATOM 42 OG SER A 5 8.176 7.348 -29.427 1.00 0.00 O ATOM 0 H SER A 5 9.993 5.184 -29.132 1.00 0.00 H new ATOM 0 HA SER A 5 10.552 6.881 -27.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.467 8.604 -28.430 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.229 7.465 -29.522 1.00 0.00 H new ATOM 0 HG SER A 5 8.061 7.982 -30.166 1.00 0.00 H new ATOM 48 N SER A 6 7.338 6.116 -27.047 1.00 0.00 N ATOM 49 CA SER A 6 6.144 6.133 -26.209 1.00 0.00 C ATOM 50 C SER A 6 5.928 4.778 -25.543 1.00 0.00 C ATOM 51 O SER A 6 6.625 3.809 -25.842 1.00 0.00 O ATOM 52 CB SER A 6 4.916 6.506 -27.043 1.00 0.00 C ATOM 53 OG SER A 6 5.111 7.738 -27.715 1.00 0.00 O ATOM 0 H SER A 6 7.223 5.629 -27.936 1.00 0.00 H new ATOM 0 HA SER A 6 6.287 6.882 -25.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.714 5.720 -27.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.041 6.575 -26.397 1.00 0.00 H new ATOM 0 HG SER A 6 4.313 7.953 -28.242 1.00 0.00 H new ATOM 59 N GLY A 7 4.956 4.718 -24.638 1.00 0.00 N ATOM 60 CA GLY A 7 4.665 3.477 -23.943 1.00 0.00 C ATOM 61 C GLY A 7 3.836 3.694 -22.693 1.00 0.00 C ATOM 62 O GLY A 7 2.609 3.768 -22.759 1.00 0.00 O ATOM 0 H GLY A 7 4.365 5.506 -24.374 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.134 2.803 -24.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.601 2.986 -23.674 1.00 0.00 H new ATOM 66 N ASN A 8 4.506 3.795 -21.550 1.00 0.00 N ATOM 67 CA ASN A 8 3.822 4.002 -20.278 1.00 0.00 C ATOM 68 C ASN A 8 3.643 5.490 -19.993 1.00 0.00 C ATOM 69 O ASN A 8 4.595 6.267 -20.070 1.00 0.00 O ATOM 70 CB ASN A 8 4.606 3.345 -19.141 1.00 0.00 C ATOM 71 CG ASN A 8 4.632 1.833 -19.256 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.306 1.277 -20.123 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.896 1.160 -18.379 1.00 0.00 N ATOM 0 H ASN A 8 5.522 3.737 -21.478 1.00 0.00 H new ATOM 0 HA ASN A 8 2.836 3.541 -20.345 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.628 3.724 -19.141 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.161 3.627 -18.186 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.874 0.141 -18.407 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.353 1.662 -17.677 1.00 0.00 H new ATOM 80 N ASP A 9 2.416 5.880 -19.664 1.00 0.00 N ATOM 81 CA ASP A 9 2.112 7.275 -19.366 1.00 0.00 C ATOM 82 C ASP A 9 2.173 7.535 -17.864 1.00 0.00 C ATOM 83 O ASP A 9 2.004 8.667 -17.413 1.00 0.00 O ATOM 84 CB ASP A 9 0.728 7.643 -19.904 1.00 0.00 C ATOM 85 CG ASP A 9 -0.300 6.559 -19.648 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.231 5.915 -18.580 1.00 0.00 O ATOM 87 OD2 ASP A 9 -1.175 6.355 -20.515 1.00 0.00 O ATOM 0 H ASP A 9 1.616 5.250 -19.597 1.00 0.00 H new ATOM 0 HA ASP A 9 2.861 7.898 -19.855 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.396 8.571 -19.439 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.796 7.829 -20.976 1.00 0.00 H new ATOM 92 N ALA A 10 2.415 6.479 -17.095 1.00 0.00 N ATOM 93 CA ALA A 10 2.499 6.593 -15.644 1.00 0.00 C ATOM 94 C ALA A 10 3.878 7.079 -15.211 1.00 0.00 C ATOM 95 O ALA A 10 4.259 6.942 -14.048 1.00 0.00 O ATOM 96 CB ALA A 10 2.179 5.257 -14.990 1.00 0.00 C ATOM 0 H ALA A 10 2.556 5.534 -17.453 1.00 0.00 H new ATOM 0 HA ALA A 10 1.764 7.329 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.246 5.357 -13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.170 4.950 -15.265 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.892 4.506 -15.329 1.00 0.00 H new ATOM 102 N VAL A 11 4.624 7.647 -16.154 1.00 0.00 N ATOM 103 CA VAL A 11 5.961 8.154 -15.870 1.00 0.00 C ATOM 104 C VAL A 11 5.927 9.204 -14.765 1.00 0.00 C ATOM 105 O VAL A 11 6.825 9.267 -13.926 1.00 0.00 O ATOM 106 CB VAL A 11 6.608 8.767 -17.126 1.00 0.00 C ATOM 107 CG1 VAL A 11 7.982 9.331 -16.798 1.00 0.00 C ATOM 108 CG2 VAL A 11 6.698 7.731 -18.237 1.00 0.00 C ATOM 0 H VAL A 11 4.324 7.767 -17.122 1.00 0.00 H new ATOM 0 HA VAL A 11 6.559 7.304 -15.541 1.00 0.00 H new ATOM 0 HB VAL A 11 5.980 9.587 -17.475 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.424 9.760 -17.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.885 10.105 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.623 8.533 -16.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.158 8.180 -19.117 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.304 6.889 -17.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.697 7.380 -18.489 1.00 0.00 H new ATOM 118 N ASP A 12 4.884 10.027 -14.771 1.00 0.00 N ATOM 119 CA ASP A 12 4.731 11.075 -13.769 1.00 0.00 C ATOM 120 C ASP A 12 4.425 10.477 -12.399 1.00 0.00 C ATOM 121 O ASP A 12 4.788 11.042 -11.368 1.00 0.00 O ATOM 122 CB ASP A 12 3.618 12.042 -14.176 1.00 0.00 C ATOM 123 CG ASP A 12 4.112 13.136 -15.102 1.00 0.00 C ATOM 124 OD1 ASP A 12 4.441 12.824 -16.266 1.00 0.00 O ATOM 125 OD2 ASP A 12 4.171 14.304 -14.664 1.00 0.00 O ATOM 0 H ASP A 12 4.132 9.988 -15.459 1.00 0.00 H new ATOM 0 HA ASP A 12 5.672 11.622 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.820 11.486 -14.668 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.188 12.493 -13.282 1.00 0.00 H new ATOM 130 N PHE A 13 3.754 9.329 -12.397 1.00 0.00 N ATOM 131 CA PHE A 13 3.398 8.655 -11.154 1.00 0.00 C ATOM 132 C PHE A 13 2.683 9.610 -10.203 1.00 0.00 C ATOM 133 O PHE A 13 2.956 9.627 -9.002 1.00 0.00 O ATOM 134 CB PHE A 13 4.649 8.086 -10.481 1.00 0.00 C ATOM 135 CG PHE A 13 5.054 6.740 -11.008 1.00 0.00 C ATOM 136 CD1 PHE A 13 4.106 5.751 -11.222 1.00 0.00 C ATOM 137 CD2 PHE A 13 6.382 6.462 -11.289 1.00 0.00 C ATOM 138 CE1 PHE A 13 4.477 4.511 -11.707 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.758 5.223 -11.774 1.00 0.00 C ATOM 140 CZ PHE A 13 5.804 4.247 -11.984 1.00 0.00 C ATOM 0 H PHE A 13 3.446 8.847 -13.242 1.00 0.00 H new ATOM 0 HA PHE A 13 2.720 7.836 -11.395 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.475 8.784 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.471 8.009 -9.408 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.067 5.952 -11.007 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.132 7.222 -11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.729 3.749 -11.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.797 5.019 -11.988 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.095 3.279 -12.364 1.00 0.00 H new ATOM 150 N SER A 14 1.768 10.404 -10.748 1.00 0.00 N ATOM 151 CA SER A 14 1.017 11.366 -9.949 1.00 0.00 C ATOM 152 C SER A 14 -0.165 10.692 -9.258 1.00 0.00 C ATOM 153 O SER A 14 -0.213 10.569 -8.034 1.00 0.00 O ATOM 154 CB SER A 14 0.520 12.514 -10.830 1.00 0.00 C ATOM 155 OG SER A 14 -0.743 12.984 -10.391 1.00 0.00 O ATOM 0 H SER A 14 1.528 10.401 -11.739 1.00 0.00 H new ATOM 0 HA SER A 14 1.683 11.766 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.242 13.330 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.447 12.178 -11.864 1.00 0.00 H new ATOM 0 HG SER A 14 -1.038 13.718 -10.969 1.00 0.00 H new ATOM 161 N PRO A 15 -1.143 10.245 -10.061 1.00 0.00 N ATOM 162 CA PRO A 15 -2.343 9.576 -9.550 1.00 0.00 C ATOM 163 C PRO A 15 -2.039 8.192 -8.986 1.00 0.00 C ATOM 164 O PRO A 15 -2.930 7.505 -8.484 1.00 0.00 O ATOM 165 CB PRO A 15 -3.240 9.466 -10.785 1.00 0.00 C ATOM 166 CG PRO A 15 -2.299 9.478 -11.939 1.00 0.00 C ATOM 167 CD PRO A 15 -1.152 10.359 -11.529 1.00 0.00 C ATOM 0 HA PRO A 15 -2.796 10.125 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.830 8.550 -10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.943 10.297 -10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.954 8.471 -12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.786 9.863 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.211 10.022 -11.964 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.301 11.389 -11.851 1.00 0.00 H new ATOM 175 N THR A 16 -0.776 7.788 -9.071 1.00 0.00 N ATOM 176 CA THR A 16 -0.355 6.486 -8.570 1.00 0.00 C ATOM 177 C THR A 16 0.877 6.611 -7.680 1.00 0.00 C ATOM 178 O THR A 16 1.810 7.347 -7.995 1.00 0.00 O ATOM 179 CB THR A 16 -0.044 5.514 -9.724 1.00 0.00 C ATOM 180 OG1 THR A 16 0.863 6.125 -10.648 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.318 5.109 -10.449 1.00 0.00 C ATOM 0 H THR A 16 -0.026 8.344 -9.482 1.00 0.00 H new ATOM 0 HA THR A 16 -1.184 6.090 -7.984 1.00 0.00 H new ATOM 0 HB THR A 16 0.415 4.620 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.169 5.457 -11.296 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.073 4.423 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.994 4.618 -9.749 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.801 5.996 -10.858 1.00 0.00 H new ATOM 189 N LEU A 17 0.872 5.886 -6.566 1.00 0.00 N ATOM 190 CA LEU A 17 1.990 5.915 -5.630 1.00 0.00 C ATOM 191 C LEU A 17 2.426 4.501 -5.258 1.00 0.00 C ATOM 192 O LEU A 17 1.606 3.618 -5.008 1.00 0.00 O ATOM 193 CB LEU A 17 1.605 6.691 -4.368 1.00 0.00 C ATOM 194 CG LEU A 17 1.025 8.084 -4.617 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.499 8.683 -3.323 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.073 8.994 -5.239 1.00 0.00 C ATOM 0 H LEU A 17 0.106 5.271 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 17 2.826 6.417 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.876 6.105 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.488 6.789 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 17 0.193 7.990 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.090 9.674 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.284 8.042 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.313 8.763 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.643 9.981 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.925 9.081 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.403 8.573 -6.189 1.00 0.00 H new ATOM 208 N PRO A 18 3.748 4.281 -5.222 1.00 0.00 N ATOM 209 CA PRO A 18 4.324 2.977 -4.882 1.00 0.00 C ATOM 210 C PRO A 18 4.125 2.620 -3.412 1.00 0.00 C ATOM 211 O PRO A 18 4.563 3.349 -2.522 1.00 0.00 O ATOM 212 CB PRO A 18 5.812 3.154 -5.192 1.00 0.00 C ATOM 213 CG PRO A 18 6.054 4.619 -5.064 1.00 0.00 C ATOM 214 CD PRO A 18 4.783 5.288 -5.509 1.00 0.00 C ATOM 0 HA PRO A 18 3.852 2.167 -5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.431 2.588 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.053 2.799 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.296 4.886 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.896 4.931 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.604 6.214 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.813 5.543 -6.568 1.00 0.00 H new ATOM 222 N VAL A 19 3.462 1.495 -3.165 1.00 0.00 N ATOM 223 CA VAL A 19 3.207 1.041 -1.803 1.00 0.00 C ATOM 224 C VAL A 19 3.733 -0.373 -1.588 1.00 0.00 C ATOM 225 O VAL A 19 3.763 -1.185 -2.513 1.00 0.00 O ATOM 226 CB VAL A 19 1.702 1.074 -1.474 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.162 2.491 -1.583 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.936 0.131 -2.390 1.00 0.00 C ATOM 0 H VAL A 19 3.092 0.881 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 19 3.732 1.725 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 19 1.565 0.737 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.098 2.494 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.691 3.137 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.310 2.860 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.125 0.167 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.078 0.435 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.305 -0.886 -2.256 1.00 0.00 H new ATOM 238 N THR A 20 4.148 -0.663 -0.358 1.00 0.00 N ATOM 239 CA THR A 20 4.674 -1.980 -0.020 1.00 0.00 C ATOM 240 C THR A 20 4.356 -2.343 1.426 1.00 0.00 C ATOM 241 O THR A 20 4.608 -1.561 2.343 1.00 0.00 O ATOM 242 CB THR A 20 6.198 -2.047 -0.231 1.00 0.00 C ATOM 243 OG1 THR A 20 6.810 -0.836 0.227 1.00 0.00 O ATOM 244 CG2 THR A 20 6.531 -2.265 -1.700 1.00 0.00 C ATOM 0 H THR A 20 4.130 -0.004 0.420 1.00 0.00 H new ATOM 0 HA THR A 20 4.191 -2.695 -0.686 1.00 0.00 H new ATOM 0 HB THR A 20 6.586 -2.889 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.779 -0.887 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.613 -2.309 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.088 -3.202 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.131 -1.441 -2.290 1.00 0.00 H new ATOM 252 N CYS A 21 3.802 -3.535 1.623 1.00 0.00 N ATOM 253 CA CYS A 21 3.450 -4.002 2.959 1.00 0.00 C ATOM 254 C CYS A 21 4.037 -5.385 3.224 1.00 0.00 C ATOM 255 O CYS A 21 3.593 -6.379 2.651 1.00 0.00 O ATOM 256 CB CYS A 21 1.930 -4.040 3.125 1.00 0.00 C ATOM 257 SG CYS A 21 1.380 -4.506 4.783 1.00 0.00 S ATOM 0 H CYS A 21 3.587 -4.195 0.875 1.00 0.00 H new ATOM 0 HA CYS A 21 3.870 -3.304 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.524 -3.058 2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.514 -4.744 2.405 1.00 0.00 H new ATOM 0 HG CYS A 21 0.154 -4.111 4.960 1.00 0.00 H new ATOM 263 N GLY A 22 5.041 -5.440 4.094 1.00 0.00 N ATOM 264 CA GLY A 22 5.674 -6.705 4.418 1.00 0.00 C ATOM 265 C GLY A 22 6.269 -7.384 3.200 1.00 0.00 C ATOM 266 O GLY A 22 7.259 -6.913 2.639 1.00 0.00 O ATOM 0 H GLY A 22 5.427 -4.631 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.458 -6.537 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.941 -7.368 4.878 1.00 0.00 H new ATOM 270 N LYS A 23 5.666 -8.494 2.789 1.00 0.00 N ATOM 271 CA LYS A 23 6.142 -9.240 1.631 1.00 0.00 C ATOM 272 C LYS A 23 5.287 -8.943 0.403 1.00 0.00 C ATOM 273 O LYS A 23 5.481 -9.534 -0.658 1.00 0.00 O ATOM 274 CB LYS A 23 6.127 -10.742 1.924 1.00 0.00 C ATOM 275 CG LYS A 23 4.751 -11.279 2.277 1.00 0.00 C ATOM 276 CD LYS A 23 4.008 -11.764 1.043 1.00 0.00 C ATOM 277 CE LYS A 23 4.443 -13.166 0.645 1.00 0.00 C ATOM 278 NZ LYS A 23 3.906 -13.557 -0.687 1.00 0.00 N ATOM 0 H LYS A 23 4.846 -8.897 3.242 1.00 0.00 H new ATOM 0 HA LYS A 23 7.165 -8.926 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.504 -11.277 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.811 -10.950 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.851 -12.099 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.170 -10.499 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.935 -11.756 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.188 -11.078 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.532 -13.217 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.103 -13.879 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.225 -14.519 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.867 -13.534 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.251 -12.892 -1.409 1.00 0.00 H new ATOM 292 N ALA A 24 4.340 -8.022 0.556 1.00 0.00 N ATOM 293 CA ALA A 24 3.458 -7.644 -0.541 1.00 0.00 C ATOM 294 C ALA A 24 3.770 -6.236 -1.036 1.00 0.00 C ATOM 295 O ALA A 24 4.223 -5.384 -0.272 1.00 0.00 O ATOM 296 CB ALA A 24 2.003 -7.742 -0.106 1.00 0.00 C ATOM 0 H ALA A 24 4.165 -7.524 1.429 1.00 0.00 H new ATOM 0 HA ALA A 24 3.627 -8.337 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.355 -7.457 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.781 -8.767 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.829 -7.073 0.737 1.00 0.00 H new ATOM 302 N LYS A 25 3.526 -5.998 -2.320 1.00 0.00 N ATOM 303 CA LYS A 25 3.780 -4.693 -2.919 1.00 0.00 C ATOM 304 C LYS A 25 2.737 -4.371 -3.984 1.00 0.00 C ATOM 305 O LYS A 25 2.175 -5.269 -4.609 1.00 0.00 O ATOM 306 CB LYS A 25 5.181 -4.655 -3.534 1.00 0.00 C ATOM 307 CG LYS A 25 5.287 -5.401 -4.853 1.00 0.00 C ATOM 308 CD LYS A 25 6.736 -5.642 -5.242 1.00 0.00 C ATOM 309 CE LYS A 25 7.268 -6.932 -4.637 1.00 0.00 C ATOM 310 NZ LYS A 25 6.720 -8.134 -5.324 1.00 0.00 N ATOM 0 H LYS A 25 3.152 -6.693 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 25 3.715 -3.941 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.472 -3.616 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.891 -5.083 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.767 -6.356 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.789 -4.830 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.820 -5.686 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.348 -4.803 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.356 -6.942 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.011 -6.970 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.284 -8.969 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.732 -8.280 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.761 -7.994 -6.354 1.00 0.00 H new ATOM 324 N GLY A 26 2.485 -3.081 -4.188 1.00 0.00 N ATOM 325 CA GLY A 26 1.511 -2.664 -5.180 1.00 0.00 C ATOM 326 C GLY A 26 1.571 -1.175 -5.460 1.00 0.00 C ATOM 327 O GLY A 26 2.572 -0.520 -5.168 1.00 0.00 O ATOM 0 H GLY A 26 2.938 -2.318 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.683 -3.212 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.511 -2.926 -4.835 1.00 0.00 H new ATOM 331 N THR A 27 0.497 -0.638 -6.031 1.00 0.00 N ATOM 332 CA THR A 27 0.432 0.781 -6.354 1.00 0.00 C ATOM 333 C THR A 27 -0.945 1.355 -6.040 1.00 0.00 C ATOM 334 O THR A 27 -1.959 0.870 -6.543 1.00 0.00 O ATOM 335 CB THR A 27 0.755 1.035 -7.839 1.00 0.00 C ATOM 336 OG1 THR A 27 2.071 0.559 -8.142 1.00 0.00 O ATOM 337 CG2 THR A 27 0.658 2.517 -8.168 1.00 0.00 C ATOM 0 H THR A 27 -0.340 -1.166 -6.279 1.00 0.00 H new ATOM 0 HA THR A 27 1.179 1.279 -5.737 1.00 0.00 H new ATOM 0 HB THR A 27 0.026 0.496 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.268 0.723 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.890 2.672 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.353 2.870 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.367 3.073 -7.555 1.00 0.00 H new ATOM 345 N LEU A 28 -0.974 2.389 -5.207 1.00 0.00 N ATOM 346 CA LEU A 28 -2.229 3.029 -4.827 1.00 0.00 C ATOM 347 C LEU A 28 -2.626 4.094 -5.843 1.00 0.00 C ATOM 348 O LEU A 28 -1.813 4.934 -6.230 1.00 0.00 O ATOM 349 CB LEU A 28 -2.104 3.656 -3.436 1.00 0.00 C ATOM 350 CG LEU A 28 -3.218 4.634 -3.065 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.366 3.904 -2.386 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.680 5.737 -2.165 1.00 0.00 C ATOM 0 H LEU A 28 -0.144 2.802 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.006 2.265 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.081 2.857 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.148 4.177 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.595 5.089 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.149 4.617 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.769 3.150 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.004 3.421 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.486 6.425 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.276 5.298 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.891 6.280 -2.686 1.00 0.00 H new ATOM 364 N PHE A 29 -3.883 4.054 -6.273 1.00 0.00 N ATOM 365 CA PHE A 29 -4.389 5.014 -7.247 1.00 0.00 C ATOM 366 C PHE A 29 -5.353 5.998 -6.589 1.00 0.00 C ATOM 367 O PHE A 29 -6.511 5.671 -6.335 1.00 0.00 O ATOM 368 CB PHE A 29 -5.091 4.287 -8.395 1.00 0.00 C ATOM 369 CG PHE A 29 -4.160 3.471 -9.246 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.377 2.476 -8.682 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.067 3.698 -10.610 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.519 1.725 -9.462 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.211 2.950 -11.395 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.437 1.961 -10.821 1.00 0.00 C ATOM 0 H PHE A 29 -4.570 3.367 -5.962 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.541 5.572 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.861 3.634 -7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.597 5.020 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.438 2.286 -7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.671 4.469 -11.065 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.913 0.954 -9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.147 3.139 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.769 1.373 -11.433 1.00 0.00 H new ATOM 384 N GLN A 30 -4.863 7.203 -6.316 1.00 0.00 N ATOM 385 CA GLN A 30 -5.680 8.234 -5.687 1.00 0.00 C ATOM 386 C GLN A 30 -7.097 8.225 -6.251 1.00 0.00 C ATOM 387 O GLN A 30 -8.070 8.361 -5.510 1.00 0.00 O ATOM 388 CB GLN A 30 -5.047 9.612 -5.891 1.00 0.00 C ATOM 389 CG GLN A 30 -3.528 9.597 -5.833 1.00 0.00 C ATOM 390 CD GLN A 30 -2.942 10.961 -5.522 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.968 11.865 -6.357 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.411 11.115 -4.315 1.00 0.00 N ATOM 0 H GLN A 30 -3.905 7.489 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.731 8.020 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.362 10.008 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.425 10.293 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.204 8.885 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.135 9.246 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.412 10.338 -3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.003 12.011 -4.048 1.00 0.00 H new ATOM 401 N GLU A 31 -7.205 8.065 -7.566 1.00 0.00 N ATOM 402 CA GLU A 31 -8.504 8.039 -8.228 1.00 0.00 C ATOM 403 C GLU A 31 -9.378 6.919 -7.669 1.00 0.00 C ATOM 404 O GLU A 31 -10.566 7.112 -7.413 1.00 0.00 O ATOM 405 CB GLU A 31 -8.329 7.860 -9.737 1.00 0.00 C ATOM 406 CG GLU A 31 -9.562 7.305 -10.431 1.00 0.00 C ATOM 407 CD GLU A 31 -9.688 7.782 -11.865 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.953 7.264 -12.731 1.00 0.00 O ATOM 409 OE2 GLU A 31 -10.523 8.675 -12.121 1.00 0.00 O ATOM 0 H GLU A 31 -6.409 7.951 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.999 8.991 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.074 8.822 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.488 7.192 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.523 6.216 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.452 7.600 -9.874 1.00 0.00 H new ATOM 416 N LYS A 32 -8.779 5.748 -7.483 1.00 0.00 N ATOM 417 CA LYS A 32 -9.500 4.595 -6.955 1.00 0.00 C ATOM 418 C LYS A 32 -9.600 4.667 -5.435 1.00 0.00 C ATOM 419 O LYS A 32 -10.275 3.850 -4.808 1.00 0.00 O ATOM 420 CB LYS A 32 -8.803 3.298 -7.371 1.00 0.00 C ATOM 421 CG LYS A 32 -9.234 2.786 -8.734 1.00 0.00 C ATOM 422 CD LYS A 32 -8.127 1.990 -9.406 1.00 0.00 C ATOM 423 CE LYS A 32 -8.579 1.428 -10.746 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.616 0.372 -10.583 1.00 0.00 N ATOM 0 H LYS A 32 -7.796 5.572 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.508 4.606 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.725 3.461 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.005 2.531 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.119 2.160 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.515 3.627 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.256 2.629 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.817 1.174 -8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.976 2.234 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.720 1.015 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.775 -0.102 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.294 -0.325 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.504 0.805 -10.258 1.00 0.00 H new ATOM 438 N LEU A 33 -8.925 5.649 -4.847 1.00 0.00 N ATOM 439 CA LEU A 33 -8.939 5.828 -3.400 1.00 0.00 C ATOM 440 C LEU A 33 -10.001 6.841 -2.987 1.00 0.00 C ATOM 441 O LEU A 33 -10.641 6.698 -1.945 1.00 0.00 O ATOM 442 CB LEU A 33 -7.563 6.283 -2.908 1.00 0.00 C ATOM 443 CG LEU A 33 -7.377 6.258 -1.391 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.426 4.830 -0.870 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.065 6.923 -1.004 1.00 0.00 C ATOM 0 H LEU A 33 -8.361 6.334 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.182 4.869 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.803 5.647 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.384 7.298 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.194 6.817 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.292 4.833 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.391 4.386 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.630 4.246 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.949 6.896 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.236 6.391 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.068 7.959 -1.343 1.00 0.00 H new ATOM 457 N LYS A 34 -10.183 7.867 -3.812 1.00 0.00 N ATOM 458 CA LYS A 34 -11.168 8.906 -3.535 1.00 0.00 C ATOM 459 C LYS A 34 -12.523 8.294 -3.194 1.00 0.00 C ATOM 460 O LYS A 34 -13.119 8.617 -2.167 1.00 0.00 O ATOM 461 CB LYS A 34 -11.307 9.840 -4.740 1.00 0.00 C ATOM 462 CG LYS A 34 -10.119 10.768 -4.929 1.00 0.00 C ATOM 463 CD LYS A 34 -10.407 11.836 -5.970 1.00 0.00 C ATOM 464 CE LYS A 34 -9.148 12.600 -6.349 1.00 0.00 C ATOM 465 NZ LYS A 34 -8.837 13.677 -5.369 1.00 0.00 N ATOM 0 H LYS A 34 -9.661 8.001 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.822 9.480 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.436 9.240 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.210 10.439 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.871 11.242 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.248 10.188 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.834 11.373 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.153 12.531 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.307 11.909 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.272 13.036 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.972 14.174 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.628 14.351 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.693 13.259 -4.428 1.00 0.00 H new ATOM 479 N GLN A 35 -13.003 7.410 -4.063 1.00 0.00 N ATOM 480 CA GLN A 35 -14.288 6.753 -3.852 1.00 0.00 C ATOM 481 C GLN A 35 -14.389 6.195 -2.436 1.00 0.00 C ATOM 482 O GLN A 35 -15.309 6.529 -1.691 1.00 0.00 O ATOM 483 CB GLN A 35 -14.483 5.628 -4.870 1.00 0.00 C ATOM 484 CG GLN A 35 -14.385 6.092 -6.315 1.00 0.00 C ATOM 485 CD GLN A 35 -15.255 5.275 -7.250 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.891 5.815 -8.156 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.288 3.965 -7.035 1.00 0.00 N ATOM 0 H GLN A 35 -12.522 7.132 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.073 7.497 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.734 4.856 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.459 5.169 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.677 7.140 -6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.347 6.030 -6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.745 3.559 -6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.856 3.364 -7.632 1.00 0.00 H new ATOM 496 N GLY A 36 -13.435 5.344 -2.071 1.00 0.00 N ATOM 497 CA GLY A 36 -13.435 4.753 -0.745 1.00 0.00 C ATOM 498 C GLY A 36 -12.327 3.735 -0.564 1.00 0.00 C ATOM 499 O GLY A 36 -12.173 2.823 -1.376 1.00 0.00 O ATOM 0 H GLY A 36 -12.662 5.053 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.326 5.541 0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.397 4.274 -0.564 1.00 0.00 H new ATOM 503 N ALA A 37 -11.551 3.891 0.504 1.00 0.00 N ATOM 504 CA ALA A 37 -10.452 2.977 0.789 1.00 0.00 C ATOM 505 C ALA A 37 -10.870 1.528 0.565 1.00 0.00 C ATOM 506 O ALA A 37 -10.070 0.702 0.126 1.00 0.00 O ATOM 507 CB ALA A 37 -9.961 3.172 2.216 1.00 0.00 C ATOM 0 H ALA A 37 -11.663 4.641 1.186 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.637 3.202 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.140 2.483 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.614 4.197 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.777 2.975 2.912 1.00 0.00 H new ATOM 513 N SER A 38 -12.128 1.226 0.869 1.00 0.00 N ATOM 514 CA SER A 38 -12.651 -0.125 0.705 1.00 0.00 C ATOM 515 C SER A 38 -12.469 -0.607 -0.731 1.00 0.00 C ATOM 516 O SER A 38 -12.136 -1.768 -0.972 1.00 0.00 O ATOM 517 CB SER A 38 -14.131 -0.172 1.088 1.00 0.00 C ATOM 518 OG SER A 38 -14.297 -0.123 2.494 1.00 0.00 O ATOM 0 H SER A 38 -12.804 1.899 1.230 1.00 0.00 H new ATOM 0 HA SER A 38 -12.092 -0.787 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.655 0.665 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.582 -1.084 0.697 1.00 0.00 H new ATOM 0 HG SER A 38 -15.252 -0.153 2.712 1.00 0.00 H new ATOM 524 N LYS A 39 -12.691 0.293 -1.683 1.00 0.00 N ATOM 525 CA LYS A 39 -12.552 -0.037 -3.096 1.00 0.00 C ATOM 526 C LYS A 39 -11.118 -0.445 -3.421 1.00 0.00 C ATOM 527 O LYS A 39 -10.164 0.121 -2.886 1.00 0.00 O ATOM 528 CB LYS A 39 -12.962 1.156 -3.962 1.00 0.00 C ATOM 529 CG LYS A 39 -14.412 1.570 -3.780 1.00 0.00 C ATOM 530 CD LYS A 39 -15.327 0.839 -4.748 1.00 0.00 C ATOM 531 CE LYS A 39 -16.792 1.073 -4.415 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.238 0.246 -3.259 1.00 0.00 N ATOM 0 H LYS A 39 -12.968 1.258 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.209 -0.879 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.319 2.004 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.792 0.909 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.724 1.363 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.506 2.645 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.126 1.176 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.112 -0.229 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.949 2.128 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.404 0.839 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.242 0.435 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.112 -0.762 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.671 0.487 -2.421 1.00 0.00 H new ATOM 546 N LYS A 40 -10.973 -1.430 -4.300 1.00 0.00 N ATOM 547 CA LYS A 40 -9.656 -1.913 -4.699 1.00 0.00 C ATOM 548 C LYS A 40 -8.864 -0.815 -5.401 1.00 0.00 C ATOM 549 O LYS A 40 -9.111 -0.507 -6.567 1.00 0.00 O ATOM 550 CB LYS A 40 -9.793 -3.127 -5.622 1.00 0.00 C ATOM 551 CG LYS A 40 -10.755 -4.181 -5.101 1.00 0.00 C ATOM 552 CD LYS A 40 -10.034 -5.233 -4.274 1.00 0.00 C ATOM 553 CE LYS A 40 -10.895 -6.470 -4.074 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.016 -7.270 -5.325 1.00 0.00 N ATOM 0 H LYS A 40 -11.752 -1.910 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.117 -2.208 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.131 -2.791 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.811 -3.580 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.525 -3.704 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.261 -4.660 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.104 -5.512 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.766 -4.814 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.464 -7.089 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.887 -6.171 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.401 -8.210 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.654 -6.784 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.078 -7.376 -5.762 1.00 0.00 H new ATOM 568 N CYS A 41 -7.911 -0.230 -4.684 1.00 0.00 N ATOM 569 CA CYS A 41 -7.081 0.834 -5.238 1.00 0.00 C ATOM 570 C CYS A 41 -5.614 0.419 -5.269 1.00 0.00 C ATOM 571 O CYS A 41 -4.813 0.988 -6.012 1.00 0.00 O ATOM 572 CB CYS A 41 -7.244 2.116 -4.420 1.00 0.00 C ATOM 573 SG CYS A 41 -6.834 1.930 -2.668 1.00 0.00 S ATOM 0 H CYS A 41 -7.694 -0.474 -3.718 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.409 1.021 -6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.611 2.892 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.274 2.461 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.876 2.217 -1.946 1.00 0.00 H new ATOM 579 N ILE A 42 -5.268 -0.574 -4.457 1.00 0.00 N ATOM 580 CA ILE A 42 -3.897 -1.064 -4.391 1.00 0.00 C ATOM 581 C ILE A 42 -3.674 -2.207 -5.375 1.00 0.00 C ATOM 582 O ILE A 42 -4.147 -3.323 -5.162 1.00 0.00 O ATOM 583 CB ILE A 42 -3.539 -1.546 -2.972 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.476 -0.360 -2.008 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.215 -2.295 -2.986 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.383 -0.767 -0.554 1.00 0.00 C ATOM 0 H ILE A 42 -5.918 -1.055 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.250 -0.228 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.317 -2.228 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.614 0.257 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.362 0.259 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.975 -2.629 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.293 -3.159 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.427 -1.634 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.342 0.125 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.258 -1.359 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.482 -1.360 -0.399 1.00 0.00 H new ATOM 598 N GLN A 43 -2.950 -1.920 -6.452 1.00 0.00 N ATOM 599 CA GLN A 43 -2.663 -2.925 -7.469 1.00 0.00 C ATOM 600 C GLN A 43 -1.279 -3.532 -7.260 1.00 0.00 C ATOM 601 O GLN A 43 -0.267 -2.838 -7.349 1.00 0.00 O ATOM 602 CB GLN A 43 -2.757 -2.309 -8.866 1.00 0.00 C ATOM 603 CG GLN A 43 -3.069 -3.320 -9.957 1.00 0.00 C ATOM 604 CD GLN A 43 -2.918 -2.740 -11.350 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.981 -1.990 -11.625 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.843 -3.086 -12.238 1.00 0.00 N ATOM 0 H GLN A 43 -2.552 -1.001 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.405 -3.718 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.529 -1.540 -8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.815 -1.814 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.406 -4.179 -9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.088 -3.685 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.602 -3.710 -11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.794 -2.727 -13.192 1.00 0.00 H new ATOM 615 N ASN A 44 -1.244 -4.831 -6.981 1.00 0.00 N ATOM 616 CA ASN A 44 0.016 -5.531 -6.758 1.00 0.00 C ATOM 617 C ASN A 44 0.745 -5.772 -8.076 1.00 0.00 C ATOM 618 O ASN A 44 0.250 -5.414 -9.145 1.00 0.00 O ATOM 619 CB ASN A 44 -0.236 -6.864 -6.050 1.00 0.00 C ATOM 620 CG ASN A 44 -0.620 -7.968 -7.017 1.00 0.00 C ATOM 621 OD1 ASN A 44 0.119 -8.937 -7.193 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.779 -7.825 -7.648 1.00 0.00 N ATOM 0 H ASN A 44 -2.073 -5.420 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 44 0.644 -4.904 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.661 -7.158 -5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.030 -6.737 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.090 -8.535 -8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.359 -7.005 -7.470 1.00 0.00 H new ATOM 629 N GLU A 45 1.923 -6.381 -7.992 1.00 0.00 N ATOM 630 CA GLU A 45 2.720 -6.669 -9.178 1.00 0.00 C ATOM 631 C GLU A 45 1.920 -7.491 -10.185 1.00 0.00 C ATOM 632 O GLU A 45 2.113 -7.370 -11.394 1.00 0.00 O ATOM 633 CB GLU A 45 3.997 -7.419 -8.793 1.00 0.00 C ATOM 634 CG GLU A 45 3.786 -8.465 -7.711 1.00 0.00 C ATOM 635 CD GLU A 45 4.749 -9.631 -7.831 1.00 0.00 C ATOM 636 OE1 GLU A 45 5.261 -9.864 -8.946 1.00 0.00 O ATOM 637 OE2 GLU A 45 4.989 -10.309 -6.811 1.00 0.00 O ATOM 0 H GLU A 45 2.347 -6.684 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 45 2.990 -5.720 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.405 -7.903 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.742 -6.700 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.905 -7.999 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.763 -8.837 -7.765 1.00 0.00 H new ATOM 644 N ALA A 46 1.021 -8.327 -9.676 1.00 0.00 N ATOM 645 CA ALA A 46 0.190 -9.167 -10.529 1.00 0.00 C ATOM 646 C ALA A 46 -0.914 -8.352 -11.195 1.00 0.00 C ATOM 647 O ALA A 46 -1.727 -8.887 -11.947 1.00 0.00 O ATOM 648 CB ALA A 46 -0.409 -10.309 -9.722 1.00 0.00 C ATOM 0 H ALA A 46 0.850 -8.440 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 46 0.822 -9.583 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.027 -10.928 -10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.392 -10.915 -9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.022 -9.903 -8.917 1.00 0.00 H new ATOM 654 N GLY A 47 -0.937 -7.053 -10.912 1.00 0.00 N ATOM 655 CA GLY A 47 -1.946 -6.185 -11.492 1.00 0.00 C ATOM 656 C GLY A 47 -3.293 -6.329 -10.813 1.00 0.00 C ATOM 657 O GLY A 47 -4.193 -5.516 -11.026 1.00 0.00 O ATOM 0 H GLY A 47 -0.275 -6.586 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.615 -5.149 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.051 -6.413 -12.553 1.00 0.00 H new ATOM 661 N ASP A 48 -3.434 -7.366 -9.995 1.00 0.00 N ATOM 662 CA ASP A 48 -4.682 -7.615 -9.283 1.00 0.00 C ATOM 663 C ASP A 48 -4.899 -6.576 -8.188 1.00 0.00 C ATOM 664 O ASP A 48 -4.149 -6.521 -7.213 1.00 0.00 O ATOM 665 CB ASP A 48 -4.678 -9.019 -8.677 1.00 0.00 C ATOM 666 CG ASP A 48 -4.564 -10.104 -9.731 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.422 -10.142 -10.637 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.618 -10.915 -9.648 1.00 0.00 O ATOM 0 H ASP A 48 -2.699 -8.048 -9.808 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.501 -7.539 -9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.847 -9.107 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.594 -9.167 -8.105 1.00 0.00 H new ATOM 673 N TRP A 49 -5.928 -5.753 -8.356 1.00 0.00 N ATOM 674 CA TRP A 49 -6.242 -4.714 -7.381 1.00 0.00 C ATOM 675 C TRP A 49 -6.638 -5.326 -6.042 1.00 0.00 C ATOM 676 O TRP A 49 -7.200 -6.419 -5.990 1.00 0.00 O ATOM 677 CB TRP A 49 -7.371 -3.822 -7.902 1.00 0.00 C ATOM 678 CG TRP A 49 -7.056 -3.172 -9.215 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.215 -3.715 -10.458 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.526 -1.857 -9.415 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.816 -2.816 -11.418 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.390 -1.669 -10.804 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.154 -0.819 -8.555 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.898 -0.486 -11.350 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.666 0.353 -9.099 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.542 0.513 -10.485 1.00 0.00 C ATOM 0 H TRP A 49 -6.559 -5.785 -9.157 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.348 -4.108 -7.232 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.277 -4.419 -8.008 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.584 -3.049 -7.164 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.598 -4.705 -10.657 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.834 -2.977 -12.425 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.247 -0.932 -7.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.801 -0.361 -12.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.375 1.161 -8.444 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.158 1.443 -10.879 1.00 0.00 H new ATOM 697 N LEU A 50 -6.341 -4.613 -4.960 1.00 0.00 N ATOM 698 CA LEU A 50 -6.666 -5.087 -3.620 1.00 0.00 C ATOM 699 C LEU A 50 -7.132 -3.936 -2.734 1.00 0.00 C ATOM 700 O LEU A 50 -6.590 -2.832 -2.794 1.00 0.00 O ATOM 701 CB LEU A 50 -5.451 -5.772 -2.990 1.00 0.00 C ATOM 702 CG LEU A 50 -4.850 -6.910 -3.814 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.381 -7.099 -3.473 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.623 -8.200 -3.582 1.00 0.00 C ATOM 0 H LEU A 50 -5.876 -3.705 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.478 -5.809 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.679 -5.022 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.739 -6.163 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.925 -6.648 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.971 -7.914 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.836 -6.180 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.281 -7.339 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.182 -9.000 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.579 -8.466 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.663 -8.059 -3.878 1.00 0.00 H new ATOM 716 N THR A 51 -8.143 -4.201 -1.912 1.00 0.00 N ATOM 717 CA THR A 51 -8.684 -3.189 -1.014 1.00 0.00 C ATOM 718 C THR A 51 -7.673 -2.812 0.063 1.00 0.00 C ATOM 719 O THR A 51 -6.899 -3.652 0.523 1.00 0.00 O ATOM 720 CB THR A 51 -9.981 -3.672 -0.339 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.701 -4.777 0.527 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.011 -4.085 -1.380 1.00 0.00 C ATOM 0 H THR A 51 -8.604 -5.109 -1.850 1.00 0.00 H new ATOM 0 HA THR A 51 -8.905 -2.312 -1.623 1.00 0.00 H new ATOM 0 HB THR A 51 -10.389 -2.848 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.385 -5.468 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.919 -4.423 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.244 -3.233 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.609 -4.895 -1.988 1.00 0.00 H new ATOM 730 N VAL A 52 -7.686 -1.545 0.463 1.00 0.00 N ATOM 731 CA VAL A 52 -6.771 -1.058 1.489 1.00 0.00 C ATOM 732 C VAL A 52 -6.573 -2.097 2.587 1.00 0.00 C ATOM 733 O VAL A 52 -5.538 -2.123 3.253 1.00 0.00 O ATOM 734 CB VAL A 52 -7.283 0.250 2.122 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.389 0.669 3.279 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.366 1.351 1.075 1.00 0.00 C ATOM 0 H VAL A 52 -8.320 -0.837 0.093 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.817 -0.867 0.998 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.285 0.076 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.766 1.595 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.386 -0.113 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.373 0.826 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.729 2.268 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.377 1.526 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.051 1.049 0.283 1.00 0.00 H new ATOM 746 N LYS A 53 -7.571 -2.954 2.770 1.00 0.00 N ATOM 747 CA LYS A 53 -7.507 -3.998 3.786 1.00 0.00 C ATOM 748 C LYS A 53 -6.843 -5.255 3.233 1.00 0.00 C ATOM 749 O LYS A 53 -5.922 -5.800 3.841 1.00 0.00 O ATOM 750 CB LYS A 53 -8.912 -4.332 4.293 1.00 0.00 C ATOM 751 CG LYS A 53 -8.940 -4.822 5.730 1.00 0.00 C ATOM 752 CD LYS A 53 -8.663 -3.693 6.709 1.00 0.00 C ATOM 753 CE LYS A 53 -9.222 -4.003 8.089 1.00 0.00 C ATOM 754 NZ LYS A 53 -8.588 -5.211 8.686 1.00 0.00 N ATOM 0 H LYS A 53 -8.435 -2.946 2.228 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.907 -3.626 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.540 -3.445 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.349 -5.095 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.913 -5.262 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.198 -5.609 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.588 -3.527 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.105 -2.769 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.063 -3.148 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.299 -4.155 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.959 -5.359 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.804 -6.042 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.558 -5.076 8.730 1.00 0.00 H new ATOM 768 N GLU A 54 -7.316 -5.709 2.076 1.00 0.00 N ATOM 769 CA GLU A 54 -6.766 -6.902 1.442 1.00 0.00 C ATOM 770 C GLU A 54 -5.244 -6.823 1.362 1.00 0.00 C ATOM 771 O GLU A 54 -4.538 -7.658 1.927 1.00 0.00 O ATOM 772 CB GLU A 54 -7.353 -7.078 0.040 1.00 0.00 C ATOM 773 CG GLU A 54 -8.615 -7.923 0.010 1.00 0.00 C ATOM 774 CD GLU A 54 -9.541 -7.631 1.175 1.00 0.00 C ATOM 775 OE1 GLU A 54 -9.202 -8.015 2.313 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.605 -7.017 0.947 1.00 0.00 O ATOM 0 H GLU A 54 -8.078 -5.269 1.559 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.036 -7.764 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.574 -6.096 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.603 -7.537 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.146 -7.743 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.342 -8.978 0.024 1.00 0.00 H new ATOM 783 N PHE A 55 -4.746 -5.813 0.656 1.00 0.00 N ATOM 784 CA PHE A 55 -3.308 -5.625 0.500 1.00 0.00 C ATOM 785 C PHE A 55 -2.569 -6.000 1.781 1.00 0.00 C ATOM 786 O PHE A 55 -1.527 -6.654 1.741 1.00 0.00 O ATOM 787 CB PHE A 55 -3.000 -4.174 0.125 1.00 0.00 C ATOM 788 CG PHE A 55 -1.555 -3.935 -0.208 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.915 -4.704 -1.167 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.836 -2.943 0.438 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.414 -4.486 -1.477 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.493 -2.720 0.133 1.00 0.00 C ATOM 793 CZ PHE A 55 1.119 -3.494 -0.825 1.00 0.00 C ATOM 0 H PHE A 55 -5.317 -5.112 0.183 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.965 -6.280 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.613 -3.890 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.286 -3.525 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.461 -5.483 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.320 -2.336 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.900 -5.091 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.042 -1.942 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.158 -3.323 -1.064 1.00 0.00 H new ATOM 803 N LEU A 56 -3.115 -5.579 2.917 1.00 0.00 N ATOM 804 CA LEU A 56 -2.508 -5.868 4.211 1.00 0.00 C ATOM 805 C LEU A 56 -2.469 -7.371 4.470 1.00 0.00 C ATOM 806 O LEU A 56 -1.421 -7.929 4.790 1.00 0.00 O ATOM 807 CB LEU A 56 -3.282 -5.166 5.329 1.00 0.00 C ATOM 808 CG LEU A 56 -3.733 -3.741 5.007 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.434 -3.119 6.205 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.546 -2.890 4.583 1.00 0.00 C ATOM 0 H LEU A 56 -3.977 -5.036 2.968 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.485 -5.493 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.161 -5.763 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.657 -5.140 6.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.440 -3.783 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.748 -2.105 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.308 -3.716 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.749 -3.090 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.885 -1.879 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.816 -2.856 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.085 -3.324 3.696 1.00 0.00 H new ATOM 822 N ASN A 57 -3.620 -8.020 4.328 1.00 0.00 N ATOM 823 CA ASN A 57 -3.719 -9.458 4.547 1.00 0.00 C ATOM 824 C ASN A 57 -2.634 -10.202 3.775 1.00 0.00 C ATOM 825 O ASN A 57 -2.074 -11.183 4.262 1.00 0.00 O ATOM 826 CB ASN A 57 -5.100 -9.966 4.126 1.00 0.00 C ATOM 827 CG ASN A 57 -6.141 -9.778 5.212 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.406 -10.689 5.997 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.737 -8.593 5.261 1.00 0.00 N ATOM 0 H ASN A 57 -4.497 -7.573 4.062 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.578 -9.648 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.419 -9.440 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.033 -11.023 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.447 -8.408 5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.485 -7.867 4.590 1.00 0.00 H new ATOM 836 N GLU A 58 -2.342 -9.726 2.568 1.00 0.00 N ATOM 837 CA GLU A 58 -1.324 -10.346 1.728 1.00 0.00 C ATOM 838 C GLU A 58 0.016 -10.408 2.455 1.00 0.00 C ATOM 839 O GLU A 58 0.742 -11.397 2.359 1.00 0.00 O ATOM 840 CB GLU A 58 -1.172 -9.572 0.417 1.00 0.00 C ATOM 841 CG GLU A 58 -2.081 -10.070 -0.693 1.00 0.00 C ATOM 842 CD GLU A 58 -2.015 -11.575 -0.870 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.952 -12.160 -0.577 1.00 0.00 O ATOM 844 OE2 GLU A 58 -3.026 -12.167 -1.303 1.00 0.00 O ATOM 0 H GLU A 58 -2.796 -8.914 2.151 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.643 -11.364 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.381 -8.518 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.136 -9.638 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.108 -9.778 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.804 -9.585 -1.629 1.00 0.00 H new ATOM 851 N GLY A 59 0.339 -9.342 3.181 1.00 0.00 N ATOM 852 CA GLY A 59 1.591 -9.293 3.912 1.00 0.00 C ATOM 853 C GLY A 59 1.478 -9.900 5.297 1.00 0.00 C ATOM 854 O GLY A 59 2.418 -10.526 5.787 1.00 0.00 O ATOM 0 H GLY A 59 -0.245 -8.511 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.358 -9.823 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.917 -8.257 3.998 1.00 0.00 H new ATOM 858 N GLY A 60 0.324 -9.715 5.930 1.00 0.00 N ATOM 859 CA GLY A 60 0.114 -10.253 7.261 1.00 0.00 C ATOM 860 C GLY A 60 -0.104 -9.169 8.298 1.00 0.00 C ATOM 861 O GLY A 60 0.298 -9.315 9.452 1.00 0.00 O ATOM 0 H GLY A 60 -0.469 -9.202 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.750 -10.918 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.976 -10.856 7.546 1.00 0.00 H new ATOM 865 N ARG A 61 -0.739 -8.077 7.885 1.00 0.00 N ATOM 866 CA ARG A 61 -1.007 -6.962 8.786 1.00 0.00 C ATOM 867 C ARG A 61 -2.508 -6.737 8.942 1.00 0.00 C ATOM 868 O ARG A 61 -2.943 -5.672 9.379 1.00 0.00 O ATOM 869 CB ARG A 61 -0.340 -5.687 8.266 1.00 0.00 C ATOM 870 CG ARG A 61 1.134 -5.582 8.623 1.00 0.00 C ATOM 871 CD ARG A 61 1.331 -5.338 10.111 1.00 0.00 C ATOM 872 NE ARG A 61 2.606 -4.685 10.394 1.00 0.00 N ATOM 873 CZ ARG A 61 3.232 -4.771 11.562 1.00 0.00 C ATOM 874 NH1 ARG A 61 2.704 -5.479 12.551 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.390 -4.148 11.744 1.00 0.00 N ATOM 0 H ARG A 61 -1.077 -7.940 6.933 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.591 -7.209 9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.446 -5.648 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.866 -4.822 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.646 -6.499 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.590 -4.770 8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.516 -4.720 10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.284 -6.288 10.644 1.00 0.00 H new ATOM 0 HE ARG A 61 3.039 -4.133 9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.815 -5.960 12.416 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.187 -5.543 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.800 -3.602 10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.870 -4.215 12.642 1.00 0.00 H new ATOM 889 N ALA A 62 -3.293 -7.747 8.581 1.00 0.00 N ATOM 890 CA ALA A 62 -4.745 -7.659 8.682 1.00 0.00 C ATOM 891 C ALA A 62 -5.173 -7.244 10.085 1.00 0.00 C ATOM 892 O ALA A 62 -6.098 -6.449 10.254 1.00 0.00 O ATOM 893 CB ALA A 62 -5.381 -8.989 8.305 1.00 0.00 C ATOM 0 H ALA A 62 -2.948 -8.635 8.216 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.088 -6.894 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.465 -8.909 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.110 -9.244 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.024 -9.767 8.979 1.00 0.00 H new ATOM 899 N THR A 63 -4.495 -7.788 11.091 1.00 0.00 N ATOM 900 CA THR A 63 -4.807 -7.476 12.480 1.00 0.00 C ATOM 901 C THR A 63 -4.703 -5.978 12.744 1.00 0.00 C ATOM 902 O THR A 63 -5.469 -5.421 13.530 1.00 0.00 O ATOM 903 CB THR A 63 -3.870 -8.222 13.448 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.139 -7.822 14.797 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.413 -7.945 13.112 1.00 0.00 C ATOM 0 H THR A 63 -3.726 -8.447 10.969 1.00 0.00 H new ATOM 0 HA THR A 63 -5.832 -7.803 12.654 1.00 0.00 H new ATOM 0 HB THR A 63 -4.053 -9.291 13.344 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.540 -8.302 15.406 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.770 -8.483 13.809 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.204 -8.278 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.219 -6.875 13.190 1.00 0.00 H new ATOM 913 N SER A 64 -3.750 -5.330 12.081 1.00 0.00 N ATOM 914 CA SER A 64 -3.543 -3.896 12.246 1.00 0.00 C ATOM 915 C SER A 64 -4.742 -3.111 11.722 1.00 0.00 C ATOM 916 O SER A 64 -5.361 -3.490 10.728 1.00 0.00 O ATOM 917 CB SER A 64 -2.272 -3.455 11.518 1.00 0.00 C ATOM 918 OG SER A 64 -1.132 -3.609 12.345 1.00 0.00 O ATOM 0 H SER A 64 -3.109 -5.776 11.424 1.00 0.00 H new ATOM 0 HA SER A 64 -3.432 -3.690 13.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.148 -4.043 10.608 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.366 -2.413 11.214 1.00 0.00 H new ATOM 0 HG SER A 64 -0.404 -3.047 12.006 1.00 0.00 H new ATOM 924 N LYS A 65 -5.063 -2.013 12.398 1.00 0.00 N ATOM 925 CA LYS A 65 -6.185 -1.171 12.002 1.00 0.00 C ATOM 926 C LYS A 65 -5.752 -0.138 10.967 1.00 0.00 C ATOM 927 O LYS A 65 -6.170 -0.191 9.810 1.00 0.00 O ATOM 928 CB LYS A 65 -6.777 -0.466 13.225 1.00 0.00 C ATOM 929 CG LYS A 65 -7.424 -1.414 14.219 1.00 0.00 C ATOM 930 CD LYS A 65 -8.821 -1.818 13.777 1.00 0.00 C ATOM 931 CE LYS A 65 -9.485 -2.731 14.796 1.00 0.00 C ATOM 932 NZ LYS A 65 -10.049 -1.966 15.942 1.00 0.00 N ATOM 0 H LYS A 65 -4.561 -1.685 13.223 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.946 -1.810 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.988 0.093 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.519 0.260 12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.805 -2.304 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.475 -0.937 15.198 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.431 -0.926 13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.767 -2.325 12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.280 -3.298 14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.757 -3.454 15.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.493 -2.624 16.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.287 -1.445 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.762 -1.294 15.593 1.00 0.00 H new ATOM 946 N ASP A 66 -4.912 0.800 11.390 1.00 0.00 N ATOM 947 CA ASP A 66 -4.420 1.844 10.498 1.00 0.00 C ATOM 948 C ASP A 66 -3.599 1.245 9.360 1.00 0.00 C ATOM 949 O ASP A 66 -2.550 0.643 9.589 1.00 0.00 O ATOM 950 CB ASP A 66 -3.575 2.853 11.277 1.00 0.00 C ATOM 951 CG ASP A 66 -4.362 3.545 12.372 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.392 4.177 12.055 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.950 3.453 13.547 1.00 0.00 O ATOM 0 H ASP A 66 -4.557 0.859 12.345 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.281 2.357 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.718 2.342 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.181 3.601 10.589 1.00 0.00 H new ATOM 958 N TRP A 67 -4.084 1.413 8.136 1.00 0.00 N ATOM 959 CA TRP A 67 -3.396 0.888 6.962 1.00 0.00 C ATOM 960 C TRP A 67 -2.278 1.826 6.521 1.00 0.00 C ATOM 961 O TRP A 67 -1.297 1.398 5.914 1.00 0.00 O ATOM 962 CB TRP A 67 -4.386 0.678 5.815 1.00 0.00 C ATOM 963 CG TRP A 67 -5.164 1.912 5.471 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.315 2.347 6.064 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.850 2.867 4.451 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.734 3.515 5.475 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.853 3.856 4.483 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.818 2.984 3.516 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.852 4.944 3.615 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.819 4.064 2.655 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.830 5.034 2.710 1.00 0.00 C ATOM 0 H TRP A 67 -4.951 1.909 7.930 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.954 -0.072 7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.843 0.341 4.932 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.080 -0.118 6.085 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.821 1.846 6.876 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.567 4.043 5.734 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.034 2.243 3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.631 5.691 3.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.027 4.163 1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.801 5.868 2.025 1.00 0.00 H new ATOM 982 N LYS A 68 -2.433 3.110 6.829 1.00 0.00 N ATOM 983 CA LYS A 68 -1.437 4.110 6.466 1.00 0.00 C ATOM 984 C LYS A 68 -0.144 3.899 7.247 1.00 0.00 C ATOM 985 O LYS A 68 0.905 4.430 6.885 1.00 0.00 O ATOM 986 CB LYS A 68 -1.979 5.517 6.726 1.00 0.00 C ATOM 987 CG LYS A 68 -3.276 5.815 5.994 1.00 0.00 C ATOM 988 CD LYS A 68 -4.058 6.926 6.674 1.00 0.00 C ATOM 989 CE LYS A 68 -5.200 7.420 5.800 1.00 0.00 C ATOM 990 NZ LYS A 68 -4.745 8.441 4.816 1.00 0.00 N ATOM 0 H LYS A 68 -3.240 3.482 7.330 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.220 4.002 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.139 5.643 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.227 6.248 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.057 6.100 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.886 4.913 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.455 6.565 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.389 7.755 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.642 6.577 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.981 7.846 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.081 8.182 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.130 9.371 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.706 8.484 4.815 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.227 3.118 8.320 1.00 0.00 N ATOM 1005 CA GLY A 69 0.944 2.850 9.134 1.00 0.00 C ATOM 1006 C GLY A 69 1.670 1.589 8.708 1.00 0.00 C ATOM 1007 O GLY A 69 2.897 1.574 8.607 1.00 0.00 O ATOM 0 H GLY A 69 -1.084 2.666 8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.627 3.697 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.644 2.758 10.178 1.00 0.00 H new ATOM 1011 N VAL A 70 0.912 0.527 8.457 1.00 0.00 N ATOM 1012 CA VAL A 70 1.490 -0.745 8.040 1.00 0.00 C ATOM 1013 C VAL A 70 2.101 -0.640 6.647 1.00 0.00 C ATOM 1014 O VAL A 70 3.091 -1.305 6.341 1.00 0.00 O ATOM 1015 CB VAL A 70 0.437 -1.868 8.044 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.031 -2.215 9.468 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.775 -1.465 7.218 1.00 0.00 C ATOM 0 H VAL A 70 -0.105 0.522 8.535 1.00 0.00 H new ATOM 0 HA VAL A 70 2.272 -0.989 8.759 1.00 0.00 H new ATOM 0 HB VAL A 70 0.877 -2.756 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.714 -3.011 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.906 -2.550 10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.391 -1.334 9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.509 -2.271 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.219 -0.563 7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.467 -1.272 6.190 1.00 0.00 H new ATOM 1027 N ILE A 71 1.504 0.199 5.807 1.00 0.00 N ATOM 1028 CA ILE A 71 1.990 0.392 4.447 1.00 0.00 C ATOM 1029 C ILE A 71 3.008 1.526 4.382 1.00 0.00 C ATOM 1030 O ILE A 71 2.746 2.635 4.849 1.00 0.00 O ATOM 1031 CB ILE A 71 0.836 0.697 3.474 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.147 -0.475 3.432 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.379 0.990 2.083 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.444 -0.150 2.724 1.00 0.00 C ATOM 0 H ILE A 71 0.683 0.756 6.045 1.00 0.00 H new ATOM 0 HA ILE A 71 2.469 -0.541 4.149 1.00 0.00 H new ATOM 0 HB ILE A 71 0.305 1.580 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.328 -1.320 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.368 -0.790 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.551 1.204 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.044 1.853 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.931 0.124 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.092 -1.026 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.941 0.674 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.234 0.136 1.693 1.00 0.00 H new ATOM 1046 N ARG A 72 4.167 1.241 3.799 1.00 0.00 N ATOM 1047 CA ARG A 72 5.224 2.238 3.673 1.00 0.00 C ATOM 1048 C ARG A 72 5.447 2.611 2.210 1.00 0.00 C ATOM 1049 O ARG A 72 5.430 1.750 1.330 1.00 0.00 O ATOM 1050 CB ARG A 72 6.526 1.711 4.280 1.00 0.00 C ATOM 1051 CG ARG A 72 6.367 1.180 5.695 1.00 0.00 C ATOM 1052 CD ARG A 72 7.678 1.237 6.462 1.00 0.00 C ATOM 1053 NE ARG A 72 7.551 0.677 7.806 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.662 -0.619 8.075 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.902 -1.484 7.100 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.534 -1.051 9.323 1.00 0.00 N ATOM 0 H ARG A 72 4.399 0.329 3.406 1.00 0.00 H new ATOM 0 HA ARG A 72 4.914 3.131 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.918 0.917 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.266 2.511 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.611 1.763 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.009 0.151 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.444 0.690 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.013 2.272 6.531 1.00 0.00 H new ATOM 0 HE ARG A 72 7.367 1.316 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.002 -1.155 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.987 -2.479 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.350 -0.388 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.619 -2.046 9.529 1.00 0.00 H new ATOM 1070 N CYS A 73 5.655 3.899 1.959 1.00 0.00 N ATOM 1071 CA CYS A 73 5.880 4.386 0.603 1.00 0.00 C ATOM 1072 C CYS A 73 7.256 5.032 0.479 1.00 0.00 C ATOM 1073 O CYS A 73 7.487 6.128 0.989 1.00 0.00 O ATOM 1074 CB CYS A 73 4.795 5.391 0.213 1.00 0.00 C ATOM 1075 SG CYS A 73 5.131 6.282 -1.324 1.00 0.00 S ATOM 0 H CYS A 73 5.672 4.624 2.676 1.00 0.00 H new ATOM 0 HA CYS A 73 5.836 3.533 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.846 4.864 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.677 6.113 1.021 1.00 0.00 H new ATOM 0 HG CYS A 73 5.053 5.460 -2.328 1.00 0.00 H new ATOM 1081 N ASN A 74 8.168 4.345 -0.202 1.00 0.00 N ATOM 1082 CA ASN A 74 9.523 4.851 -0.391 1.00 0.00 C ATOM 1083 C ASN A 74 10.249 4.973 0.945 1.00 0.00 C ATOM 1084 O ASN A 74 11.089 5.853 1.129 1.00 0.00 O ATOM 1085 CB ASN A 74 9.488 6.210 -1.092 1.00 0.00 C ATOM 1086 CG ASN A 74 8.894 6.127 -2.485 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.802 5.048 -3.070 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.486 7.271 -3.023 1.00 0.00 N ATOM 0 H ASN A 74 7.993 3.437 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 74 10.066 4.142 -1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.906 6.910 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.500 6.610 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.077 7.278 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.582 8.142 -2.502 1.00 0.00 H new ATOM 1095 N GLY A 75 9.919 4.083 1.876 1.00 0.00 N ATOM 1096 CA GLY A 75 10.549 4.108 3.183 1.00 0.00 C ATOM 1097 C GLY A 75 9.804 4.985 4.169 1.00 0.00 C ATOM 1098 O GLY A 75 10.074 4.949 5.369 1.00 0.00 O ATOM 0 H GLY A 75 9.227 3.345 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.605 3.093 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.573 4.468 3.083 1.00 0.00 H new ATOM 1102 N GLU A 76 8.864 5.777 3.662 1.00 0.00 N ATOM 1103 CA GLU A 76 8.080 6.670 4.508 1.00 0.00 C ATOM 1104 C GLU A 76 6.611 6.255 4.521 1.00 0.00 C ATOM 1105 O GLU A 76 5.980 6.128 3.471 1.00 0.00 O ATOM 1106 CB GLU A 76 8.209 8.114 4.020 1.00 0.00 C ATOM 1107 CG GLU A 76 9.537 8.761 4.377 1.00 0.00 C ATOM 1108 CD GLU A 76 10.606 8.515 3.330 1.00 0.00 C ATOM 1109 OE1 GLU A 76 11.068 7.361 3.212 1.00 0.00 O ATOM 1110 OE2 GLU A 76 10.979 9.478 2.627 1.00 0.00 O ATOM 0 H GLU A 76 8.627 5.818 2.671 1.00 0.00 H new ATOM 0 HA GLU A 76 8.469 6.602 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.083 8.135 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.400 8.706 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.393 9.835 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.879 8.375 5.337 1.00 0.00 H new ATOM 1117 N THR A 77 6.073 6.045 5.718 1.00 0.00 N ATOM 1118 CA THR A 77 4.680 5.643 5.870 1.00 0.00 C ATOM 1119 C THR A 77 3.746 6.622 5.167 1.00 0.00 C ATOM 1120 O THR A 77 3.969 7.832 5.187 1.00 0.00 O ATOM 1121 CB THR A 77 4.281 5.547 7.355 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.532 6.795 8.011 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.054 4.438 8.052 1.00 0.00 C ATOM 0 H THR A 77 6.581 6.147 6.597 1.00 0.00 H new ATOM 0 HA THR A 77 4.583 4.659 5.412 1.00 0.00 H new ATOM 0 HB THR A 77 3.217 5.316 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.274 6.727 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.756 4.389 9.099 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.839 3.485 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.123 4.644 7.988 1.00 0.00 H new ATOM 1131 N LEU A 78 2.699 6.090 4.546 1.00 0.00 N ATOM 1132 CA LEU A 78 1.729 6.917 3.836 1.00 0.00 C ATOM 1133 C LEU A 78 1.331 8.128 4.673 1.00 0.00 C ATOM 1134 O LEU A 78 1.283 9.252 4.174 1.00 0.00 O ATOM 1135 CB LEU A 78 0.488 6.095 3.484 1.00 0.00 C ATOM 1136 CG LEU A 78 0.763 4.809 2.703 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.514 4.001 2.536 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.373 5.130 1.347 1.00 0.00 C ATOM 0 H LEU A 78 2.500 5.090 4.520 1.00 0.00 H new ATOM 0 HA LEU A 78 2.194 7.271 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.032 5.837 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.189 6.719 2.900 1.00 0.00 H new ATOM 0 HG LEU A 78 1.476 4.209 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.298 3.090 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.910 3.740 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.251 4.593 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.562 4.204 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.683 5.751 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.312 5.666 1.488 1.00 0.00 H new ATOM 1150 N ARG A 79 1.046 7.890 5.949 1.00 0.00 N ATOM 1151 CA ARG A 79 0.650 8.960 6.857 1.00 0.00 C ATOM 1152 C ARG A 79 1.716 10.051 6.908 1.00 0.00 C ATOM 1153 O ARG A 79 1.401 11.241 6.906 1.00 0.00 O ATOM 1154 CB ARG A 79 0.406 8.403 8.261 1.00 0.00 C ATOM 1155 CG ARG A 79 -0.031 9.456 9.266 1.00 0.00 C ATOM 1156 CD ARG A 79 0.304 9.040 10.690 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.645 8.059 11.210 1.00 0.00 N ATOM 1158 CZ ARG A 79 -0.930 7.925 12.501 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -0.343 8.706 13.397 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -1.804 7.009 12.897 1.00 0.00 N ATOM 0 H ARG A 79 1.082 6.965 6.378 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.275 9.397 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.356 7.626 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.320 7.929 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.458 10.403 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.105 9.622 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.310 8.622 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.306 9.919 11.334 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.115 7.443 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.329 9.412 13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.563 8.601 14.387 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.258 6.407 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.022 6.907 13.888 1.00 0.00 H new ATOM 1174 N HIS A 80 2.978 9.636 6.954 1.00 0.00 N ATOM 1175 CA HIS A 80 4.090 10.578 7.006 1.00 0.00 C ATOM 1176 C HIS A 80 4.098 11.478 5.774 1.00 0.00 C ATOM 1177 O HIS A 80 4.259 12.694 5.882 1.00 0.00 O ATOM 1178 CB HIS A 80 5.418 9.827 7.112 1.00 0.00 C ATOM 1179 CG HIS A 80 6.602 10.726 7.293 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.297 10.824 8.480 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.214 11.569 6.430 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.285 11.690 8.339 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.257 12.156 7.103 1.00 0.00 N ATOM 0 H HIS A 80 3.256 8.655 6.956 1.00 0.00 H new ATOM 0 HA HIS A 80 3.963 11.203 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.367 9.133 7.951 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.561 9.229 6.212 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.082 10.309 9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.934 11.747 5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.995 11.969 9.104 1.00 0.00 H new ATOM 1192 N LEU A 81 3.924 10.873 4.605 1.00 0.00 N ATOM 1193 CA LEU A 81 3.912 11.620 3.351 1.00 0.00 C ATOM 1194 C LEU A 81 2.796 12.659 3.348 1.00 0.00 C ATOM 1195 O LEU A 81 2.997 13.798 2.928 1.00 0.00 O ATOM 1196 CB LEU A 81 3.740 10.665 2.167 1.00 0.00 C ATOM 1197 CG LEU A 81 4.866 9.647 1.988 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.491 8.614 0.937 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.163 10.348 1.609 1.00 0.00 C ATOM 0 H LEU A 81 3.789 9.868 4.498 1.00 0.00 H new ATOM 0 HA LEU A 81 4.866 12.138 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.800 10.127 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.655 11.254 1.254 1.00 0.00 H new ATOM 0 HG LEU A 81 5.017 9.132 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.305 7.898 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.587 8.090 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.311 9.113 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.954 9.608 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.024 10.890 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.441 11.049 2.396 1.00 0.00 H new ATOM 1211 N GLU A 82 1.620 12.258 3.819 1.00 0.00 N ATOM 1212 CA GLU A 82 0.471 13.154 3.870 1.00 0.00 C ATOM 1213 C GLU A 82 0.787 14.396 4.699 1.00 0.00 C ATOM 1214 O GLU A 82 0.413 15.510 4.333 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.743 12.431 4.456 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.011 13.269 4.451 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.104 14.194 5.649 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -1.779 13.748 6.769 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -2.501 15.364 5.466 1.00 0.00 O ATOM 0 H GLU A 82 1.438 11.318 4.171 1.00 0.00 H new ATOM 0 HA GLU A 82 0.241 13.467 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.919 11.517 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.518 12.133 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.047 13.861 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.878 12.609 4.438 1.00 0.00 H new ATOM 1226 N GLN A 83 1.476 14.194 5.817 1.00 0.00 N ATOM 1227 CA GLN A 83 1.840 15.297 6.699 1.00 0.00 C ATOM 1228 C GLN A 83 2.667 16.339 5.954 1.00 0.00 C ATOM 1229 O GLN A 83 2.495 17.542 6.152 1.00 0.00 O ATOM 1230 CB GLN A 83 2.622 14.776 7.906 1.00 0.00 C ATOM 1231 CG GLN A 83 1.737 14.227 9.014 1.00 0.00 C ATOM 1232 CD GLN A 83 2.444 14.175 10.354 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.109 15.131 10.755 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.304 13.056 11.054 1.00 0.00 N ATOM 0 H GLN A 83 1.793 13.278 6.134 1.00 0.00 H new ATOM 0 HA GLN A 83 0.921 15.769 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.304 13.993 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.234 15.583 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.845 14.847 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.403 13.225 8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.743 12.289 10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.757 12.963 11.963 1.00 0.00 H new ATOM 1243 N LYS A 84 3.567 15.871 5.096 1.00 0.00 N ATOM 1244 CA LYS A 84 4.421 16.761 4.319 1.00 0.00 C ATOM 1245 C LYS A 84 3.665 17.336 3.125 1.00 0.00 C ATOM 1246 O LYS A 84 4.190 18.172 2.391 1.00 0.00 O ATOM 1247 CB LYS A 84 5.667 16.014 3.837 1.00 0.00 C ATOM 1248 CG LYS A 84 6.722 15.833 4.914 1.00 0.00 C ATOM 1249 CD LYS A 84 7.553 14.583 4.675 1.00 0.00 C ATOM 1250 CE LYS A 84 8.609 14.813 3.604 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.634 13.733 3.596 1.00 0.00 N ATOM 0 H LYS A 84 3.724 14.878 4.921 1.00 0.00 H new ATOM 0 HA LYS A 84 4.726 17.585 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.371 15.034 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.104 16.557 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.374 16.706 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.240 15.770 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.036 14.282 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.901 13.763 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.130 14.866 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.095 15.774 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.336 13.926 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.109 13.699 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.174 12.819 3.409 1.00 0.00 H new ATOM 1265 N GLY A 85 2.429 16.882 2.939 1.00 0.00 N ATOM 1266 CA GLY A 85 1.622 17.364 1.833 1.00 0.00 C ATOM 1267 C GLY A 85 1.954 16.670 0.527 1.00 0.00 C ATOM 1268 O GLY A 85 1.796 17.247 -0.548 1.00 0.00 O ATOM 0 H GLY A 85 1.973 16.190 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.568 17.212 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.772 18.438 1.719 1.00 0.00 H new ATOM 1272 N LEU A 86 2.418 15.428 0.620 1.00 0.00 N ATOM 1273 CA LEU A 86 2.776 14.655 -0.564 1.00 0.00 C ATOM 1274 C LEU A 86 1.641 13.720 -0.967 1.00 0.00 C ATOM 1275 O LEU A 86 1.292 13.620 -2.142 1.00 0.00 O ATOM 1276 CB LEU A 86 4.051 13.849 -0.305 1.00 0.00 C ATOM 1277 CG LEU A 86 5.218 14.650 0.272 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.260 13.720 0.873 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.842 15.530 -0.800 1.00 0.00 C ATOM 0 H LEU A 86 2.555 14.935 1.503 1.00 0.00 H new ATOM 0 HA LEU A 86 2.955 15.352 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.815 13.035 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.371 13.394 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 86 4.835 15.293 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.083 14.309 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.806 13.133 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.639 13.051 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.671 16.093 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.210 14.906 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.093 16.223 -1.184 1.00 0.00 H new ATOM 1291 N LEU A 87 1.070 13.035 0.018 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.026 12.106 -0.232 1.00 0.00 C ATOM 1293 C LEU A 87 -1.369 12.745 0.106 1.00 0.00 C ATOM 1294 O LEU A 87 -1.691 12.959 1.275 1.00 0.00 O ATOM 1295 CB LEU A 87 0.165 10.827 0.587 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.451 9.569 -0.025 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.206 8.321 0.544 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.953 9.539 0.217 1.00 0.00 C ATOM 0 H LEU A 87 1.348 13.106 0.997 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.021 11.854 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.233 10.659 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.266 10.980 1.577 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.276 9.589 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.246 7.436 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.273 8.337 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.063 8.295 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.375 8.637 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.149 9.543 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.413 10.416 -0.239 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.150 13.048 -0.926 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.458 13.664 -0.740 1.00 0.00 C ATOM 1312 C PHE A 88 -4.280 12.894 0.289 1.00 0.00 C ATOM 1313 O PHE A 88 -5.043 13.482 1.056 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.212 13.724 -2.070 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.965 12.464 -2.389 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.315 11.242 -2.424 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.325 12.503 -2.654 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.006 10.081 -2.717 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.021 11.346 -2.947 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.360 10.133 -2.979 1.00 0.00 C ATOM 0 H PHE A 88 -1.899 12.877 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.305 14.678 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.912 14.559 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.502 13.927 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.255 11.195 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.846 13.448 -2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.487 9.134 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.081 11.390 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.902 9.227 -3.209 1.00 0.00 H new ATOM 1330 N SER A 89 -4.119 11.575 0.299 1.00 0.00 N ATOM 1331 CA SER A 89 -4.849 10.723 1.231 1.00 0.00 C ATOM 1332 C SER A 89 -6.347 11.005 1.166 1.00 0.00 C ATOM 1333 O SER A 89 -7.025 11.056 2.190 1.00 0.00 O ATOM 1334 CB SER A 89 -4.340 10.936 2.657 1.00 0.00 C ATOM 1335 OG SER A 89 -4.662 12.235 3.124 1.00 0.00 O ATOM 0 H SER A 89 -3.490 11.073 -0.327 1.00 0.00 H new ATOM 0 HA SER A 89 -4.679 9.685 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.779 10.189 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.260 10.793 2.686 1.00 0.00 H new ATOM 0 HG SER A 89 -5.269 12.670 2.489 1.00 0.00 H new ATOM 1341 N GLY A 90 -6.856 11.188 -0.049 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.270 11.463 -0.227 1.00 0.00 C ATOM 1343 C GLY A 90 -8.592 12.940 -0.110 1.00 0.00 C ATOM 1344 O GLY A 90 -7.817 13.725 0.436 1.00 0.00 O ATOM 0 H GLY A 90 -6.315 11.151 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.587 11.101 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.841 10.909 0.518 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.761 13.337 -0.634 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.211 14.732 -0.599 1.00 0.00 C ATOM 1350 C PRO A 91 -10.574 15.189 0.810 1.00 0.00 C ATOM 1351 O PRO A 91 -10.333 14.478 1.785 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.451 14.728 -1.496 1.00 0.00 C ATOM 1353 CG PRO A 91 -11.953 13.326 -1.442 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.735 12.456 -1.299 1.00 0.00 C ATOM 0 HA PRO A 91 -9.432 15.420 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.202 15.432 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.203 15.021 -2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.633 13.187 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.508 13.075 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.944 11.567 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.371 12.113 -2.267 1.00 0.00 H new ATOM 1362 N SER A 92 -11.155 16.381 0.909 1.00 0.00 N ATOM 1363 CA SER A 92 -11.549 16.934 2.199 1.00 0.00 C ATOM 1364 C SER A 92 -10.381 16.908 3.181 1.00 0.00 C ATOM 1365 O SER A 92 -10.569 16.712 4.381 1.00 0.00 O ATOM 1366 CB SER A 92 -12.731 16.151 2.774 1.00 0.00 C ATOM 1367 OG SER A 92 -13.445 16.928 3.720 1.00 0.00 O ATOM 0 H SER A 92 -11.363 16.982 0.111 1.00 0.00 H new ATOM 0 HA SER A 92 -11.849 17.971 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.399 15.850 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.371 15.237 3.247 1.00 0.00 H new ATOM 0 HG SER A 92 -12.828 17.255 4.407 1.00 0.00 H new ATOM 1373 N SER A 93 -9.174 17.107 2.660 1.00 0.00 N ATOM 1374 CA SER A 93 -7.974 17.103 3.489 1.00 0.00 C ATOM 1375 C SER A 93 -8.096 18.113 4.626 1.00 0.00 C ATOM 1376 O SER A 93 -7.766 17.816 5.773 1.00 0.00 O ATOM 1377 CB SER A 93 -6.742 17.419 2.640 1.00 0.00 C ATOM 1378 OG SER A 93 -5.580 17.521 3.445 1.00 0.00 O ATOM 0 H SER A 93 -9.001 17.273 1.668 1.00 0.00 H new ATOM 0 HA SER A 93 -7.863 16.108 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.602 16.639 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.898 18.353 2.101 1.00 0.00 H new ATOM 0 HG SER A 93 -4.806 17.722 2.878 1.00 0.00 H new ATOM 1384 N GLY A 94 -8.572 19.310 4.297 1.00 0.00 N ATOM 1385 CA GLY A 94 -8.728 20.347 5.300 1.00 0.00 C ATOM 1386 C GLY A 94 -7.780 21.510 5.085 1.00 0.00 C ATOM 1387 O GLY A 94 -7.357 22.159 6.041 1.00 0.00 O ATOM 0 H GLY A 94 -8.852 19.580 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.755 20.712 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.557 19.921 6.288 1.00 0.00 H new TER 1391 GLY A 94