USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 60 THR OG1 : rot -168:sc= 0.543 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.667 K(o=-0.12,f=-4.5!) USER MOD Set 2.1: A 56 ASN : amide:sc= -3.88! K(o=-13!,f=-5.4) USER MOD Set 2.2: A 58 ASN : amide:sc= -9.59! C(o=-13!,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.108 (180deg=-0.25) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -0.0711 (180deg=-0.563) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -0.159 (180deg=-0.733) USER MOD Single : A 9 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 11 ASN : amide:sc= -6.59! K(o=-6.6!,f=-1.3) USER MOD Single : A 13 SER OG : rot -150:sc= 0 USER MOD Single : A 15 SER OG : rot -11:sc= 1.02 USER MOD Single : A 17 CYS SG : rot 48:sc= 0.236 USER MOD Single : A 22 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 23 SER OG : rot 64:sc= 1.07 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -36:sc= 0.0252 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -170:sc= -5.77! USER MOD Single : A 57 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.26) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -2.27 (180deg=-2.41) USER MOD Single : A 67 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot 176:sc= -0.447 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 77 THR OG1 : rot -114:sc= 1.04 USER MOD Single : A 78 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.088) USER MOD Single : A 81 LYS NZ :NH3+ 152:sc= -0.195 (180deg=-0.958) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.599 -0.942 -0.190 1.00 0.00 N ATOM 2 CA MET A 1 14.712 -1.600 -1.521 1.00 0.00 C ATOM 3 C MET A 1 13.358 -1.547 -2.234 1.00 0.00 C ATOM 4 O MET A 1 12.360 -1.159 -1.661 1.00 0.00 O ATOM 5 CB MET A 1 15.133 -3.059 -1.334 1.00 0.00 C ATOM 6 CG MET A 1 16.601 -3.116 -0.906 1.00 0.00 C ATOM 7 SD MET A 1 17.089 -4.840 -0.651 1.00 0.00 S ATOM 8 CE MET A 1 18.870 -4.605 -0.869 1.00 0.00 C ATOM 0 H1 MET A 1 15.234 -0.119 -0.154 1.00 0.00 H new ATOM 0 H2 MET A 1 13.619 -0.629 -0.039 1.00 0.00 H new ATOM 0 H3 MET A 1 14.865 -1.617 0.555 1.00 0.00 H new ATOM 0 HA MET A 1 15.459 -1.080 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.505 -3.536 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.992 -3.611 -2.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.231 -2.658 -1.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.746 -2.546 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.380 -5.561 -0.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.066 -4.210 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.239 -3.903 -0.121 1.00 0.00 H new ATOM 20 N GLU A 2 13.317 -1.934 -3.479 1.00 0.00 N ATOM 21 CA GLU A 2 12.028 -1.904 -4.226 1.00 0.00 C ATOM 22 C GLU A 2 11.133 -3.049 -3.745 1.00 0.00 C ATOM 23 O GLU A 2 11.542 -4.191 -3.698 1.00 0.00 O ATOM 24 CB GLU A 2 12.302 -2.065 -5.723 1.00 0.00 C ATOM 25 CG GLU A 2 13.354 -1.046 -6.162 1.00 0.00 C ATOM 26 CD GLU A 2 13.525 -1.109 -7.681 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.587 -1.517 -8.346 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.591 -0.750 -8.153 1.00 0.00 O ATOM 0 H GLU A 2 14.120 -2.270 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 2 11.527 -0.952 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.650 -3.076 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.382 -1.921 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.052 -0.043 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.304 -1.254 -5.670 1.00 0.00 H new ATOM 35 N TRP A 3 9.911 -2.750 -3.385 1.00 0.00 N ATOM 36 CA TRP A 3 8.981 -3.818 -2.906 1.00 0.00 C ATOM 37 C TRP A 3 8.086 -4.267 -4.062 1.00 0.00 C ATOM 38 O TRP A 3 8.188 -3.775 -5.167 1.00 0.00 O ATOM 39 CB TRP A 3 8.107 -3.260 -1.779 1.00 0.00 C ATOM 40 CG TRP A 3 8.971 -2.583 -0.764 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.664 -1.440 -0.971 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.246 -2.985 0.610 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.347 -1.115 0.188 1.00 0.00 N ATOM 44 CE2 TRP A 3 10.121 -2.037 1.191 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.824 -4.069 1.399 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.562 -2.160 2.508 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.267 -4.197 2.727 1.00 0.00 C ATOM 48 CH2 TRP A 3 10.134 -3.244 3.279 1.00 0.00 C ATOM 0 H TRP A 3 9.516 -1.810 -3.402 1.00 0.00 H new ATOM 0 HA TRP A 3 9.558 -4.667 -2.538 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.382 -2.554 -2.183 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.541 -4.065 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.681 -0.874 -1.890 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.944 -0.295 0.289 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.155 -4.808 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.230 -1.423 2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.938 -5.034 3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.471 -3.347 4.300 1.00 0.00 H new ATOM 59 N TRP A 4 7.204 -5.201 -3.813 1.00 0.00 N ATOM 60 CA TRP A 4 6.293 -5.687 -4.895 1.00 0.00 C ATOM 61 C TRP A 4 4.932 -6.023 -4.287 1.00 0.00 C ATOM 62 O TRP A 4 4.835 -6.787 -3.347 1.00 0.00 O ATOM 63 CB TRP A 4 6.888 -6.942 -5.536 1.00 0.00 C ATOM 64 CG TRP A 4 8.223 -6.618 -6.126 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.370 -6.480 -5.421 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.570 -6.387 -7.522 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.398 -6.181 -6.297 1.00 0.00 N ATOM 68 CE2 TRP A 4 9.955 -6.113 -7.603 1.00 0.00 C ATOM 69 CE3 TRP A 4 7.823 -6.391 -8.714 1.00 0.00 C ATOM 70 CZ2 TRP A 4 10.578 -5.851 -8.824 1.00 0.00 C ATOM 71 CZ3 TRP A 4 8.448 -6.127 -9.944 1.00 0.00 C ATOM 72 CH2 TRP A 4 9.822 -5.858 -9.998 1.00 0.00 C ATOM 0 H TRP A 4 7.075 -5.649 -2.906 1.00 0.00 H new ATOM 0 HA TRP A 4 6.177 -4.914 -5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.990 -7.730 -4.790 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.219 -7.320 -6.309 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.467 -6.586 -4.351 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.366 -6.029 -6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.763 -6.598 -8.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.637 -5.644 -8.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.866 -6.131 -10.854 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.296 -5.656 -10.947 1.00 0.00 H new ATOM 83 N VAL A 5 3.876 -5.455 -4.805 1.00 0.00 N ATOM 84 CA VAL A 5 2.530 -5.748 -4.239 1.00 0.00 C ATOM 85 C VAL A 5 2.059 -7.125 -4.713 1.00 0.00 C ATOM 86 O VAL A 5 2.086 -7.434 -5.888 1.00 0.00 O ATOM 87 CB VAL A 5 1.541 -4.675 -4.698 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.102 -3.291 -4.372 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.316 -4.791 -6.209 1.00 0.00 C ATOM 0 H VAL A 5 3.888 -4.805 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 5 2.585 -5.746 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 5 0.592 -4.815 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.397 -2.526 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.257 -3.205 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.052 -3.153 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.611 -4.025 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.264 -4.654 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.913 -5.776 -6.442 1.00 0.00 H new ATOM 99 N LYS A 6 1.624 -7.957 -3.802 1.00 0.00 N ATOM 100 CA LYS A 6 1.144 -9.319 -4.188 1.00 0.00 C ATOM 101 C LYS A 6 -0.371 -9.277 -4.402 1.00 0.00 C ATOM 102 O LYS A 6 -0.914 -9.998 -5.215 1.00 0.00 O ATOM 103 CB LYS A 6 1.470 -10.308 -3.067 1.00 0.00 C ATOM 104 CG LYS A 6 1.184 -11.734 -3.542 1.00 0.00 C ATOM 105 CD LYS A 6 1.330 -12.702 -2.367 1.00 0.00 C ATOM 106 CE LYS A 6 1.159 -14.140 -2.865 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.173 -14.284 -3.517 1.00 0.00 N ATOM 0 H LYS A 6 1.580 -7.751 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 6 1.636 -9.635 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.517 -10.213 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.873 -10.082 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.177 -11.796 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.874 -12.008 -4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.308 -12.581 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.584 -12.479 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.951 -14.388 -3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.245 -14.838 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.574 -15.215 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.810 -13.537 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.066 -14.200 -4.548 1.00 0.00 H new ATOM 121 N LYS A 7 -1.055 -8.433 -3.677 1.00 0.00 N ATOM 122 CA LYS A 7 -2.536 -8.333 -3.830 1.00 0.00 C ATOM 123 C LYS A 7 -2.983 -6.922 -3.441 1.00 0.00 C ATOM 124 O LYS A 7 -2.243 -6.176 -2.830 1.00 0.00 O ATOM 125 CB LYS A 7 -3.213 -9.359 -2.917 1.00 0.00 C ATOM 126 CG LYS A 7 -4.673 -9.541 -3.335 1.00 0.00 C ATOM 127 CD LYS A 7 -5.301 -10.673 -2.518 1.00 0.00 C ATOM 128 CE LYS A 7 -6.654 -11.050 -3.121 1.00 0.00 C ATOM 129 NZ LYS A 7 -6.449 -11.634 -4.477 1.00 0.00 N ATOM 0 H LYS A 7 -0.650 -7.806 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.816 -8.534 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.687 -10.312 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.161 -9.027 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.226 -8.615 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.732 -9.770 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.640 -11.540 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.428 -10.360 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.163 -11.767 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.293 -10.170 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.231 -12.283 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.423 -10.871 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.550 -12.156 -4.498 1.00 0.00 H new ATOM 143 N VAL A 8 -4.183 -6.546 -3.790 1.00 0.00 N ATOM 144 CA VAL A 8 -4.660 -5.180 -3.438 1.00 0.00 C ATOM 145 C VAL A 8 -6.187 -5.125 -3.526 1.00 0.00 C ATOM 146 O VAL A 8 -6.807 -5.868 -4.260 1.00 0.00 O ATOM 147 CB VAL A 8 -4.051 -4.162 -4.409 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.281 -4.632 -5.848 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.708 -2.789 -4.207 1.00 0.00 C ATOM 0 H VAL A 8 -4.851 -7.123 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.352 -4.941 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.981 -4.078 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.849 -3.909 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.807 -5.603 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.351 -4.719 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.270 -2.071 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.779 -2.867 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.542 -2.453 -3.183 1.00 0.00 H new ATOM 159 N GLN A 9 -6.794 -4.237 -2.780 1.00 0.00 N ATOM 160 CA GLN A 9 -8.283 -4.103 -2.803 1.00 0.00 C ATOM 161 C GLN A 9 -8.645 -2.617 -2.813 1.00 0.00 C ATOM 162 O GLN A 9 -8.222 -1.861 -1.961 1.00 0.00 O ATOM 163 CB GLN A 9 -8.873 -4.766 -1.556 1.00 0.00 C ATOM 164 CG GLN A 9 -8.212 -6.129 -1.340 1.00 0.00 C ATOM 165 CD GLN A 9 -9.024 -6.937 -0.327 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.518 -7.319 0.709 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.273 -7.214 -0.583 1.00 0.00 N ATOM 0 H GLN A 9 -6.317 -3.593 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.686 -4.588 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.714 -4.131 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.950 -4.887 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.150 -6.668 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.191 -5.997 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.699 -6.893 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.824 -7.751 0.087 1.00 0.00 H new ATOM 176 N ASP A 10 -9.419 -2.189 -3.772 1.00 0.00 N ATOM 177 CA ASP A 10 -9.797 -0.750 -3.836 1.00 0.00 C ATOM 178 C ASP A 10 -10.448 -0.331 -2.516 1.00 0.00 C ATOM 179 O ASP A 10 -10.712 -1.147 -1.655 1.00 0.00 O ATOM 180 CB ASP A 10 -10.782 -0.531 -4.986 1.00 0.00 C ATOM 181 CG ASP A 10 -11.846 -1.631 -4.965 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.485 -2.778 -5.166 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.001 -1.306 -4.748 1.00 0.00 O ATOM 0 H ASP A 10 -9.806 -2.773 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.904 -0.148 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.254 0.447 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.253 -0.541 -5.939 1.00 0.00 H new ATOM 188 N ASN A 11 -10.703 0.938 -2.349 1.00 0.00 N ATOM 189 CA ASN A 11 -11.333 1.414 -1.085 1.00 0.00 C ATOM 190 C ASN A 11 -12.836 1.135 -1.126 1.00 0.00 C ATOM 191 O ASN A 11 -13.647 2.039 -1.089 1.00 0.00 O ATOM 192 CB ASN A 11 -11.098 2.918 -0.933 1.00 0.00 C ATOM 193 CG ASN A 11 -11.555 3.638 -2.202 1.00 0.00 C ATOM 194 OD1 ASN A 11 -11.333 4.823 -2.356 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.189 2.969 -3.126 1.00 0.00 N ATOM 0 H ASN A 11 -10.502 1.666 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.890 0.889 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.646 3.297 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.041 3.115 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.498 3.441 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.376 1.974 -2.998 1.00 0.00 H new ATOM 202 N ALA A 12 -13.214 -0.110 -1.203 1.00 0.00 N ATOM 203 CA ALA A 12 -14.663 -0.447 -1.246 1.00 0.00 C ATOM 204 C ALA A 12 -15.301 -0.121 0.106 1.00 0.00 C ATOM 205 O ALA A 12 -16.505 -0.175 0.264 1.00 0.00 O ATOM 206 CB ALA A 12 -14.829 -1.937 -1.544 1.00 0.00 C ATOM 0 H ALA A 12 -12.581 -0.909 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.151 0.136 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.890 -2.186 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.373 -2.169 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.343 -2.521 -0.762 1.00 0.00 H new ATOM 212 N SER A 13 -14.504 0.219 1.084 1.00 0.00 N ATOM 213 CA SER A 13 -15.066 0.550 2.425 1.00 0.00 C ATOM 214 C SER A 13 -15.574 1.993 2.421 1.00 0.00 C ATOM 215 O SER A 13 -16.667 2.277 2.869 1.00 0.00 O ATOM 216 CB SER A 13 -13.972 0.398 3.485 1.00 0.00 C ATOM 217 OG SER A 13 -13.738 -0.985 3.721 1.00 0.00 O ATOM 0 H SER A 13 -13.488 0.282 1.012 1.00 0.00 H new ATOM 0 HA SER A 13 -15.891 -0.125 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.055 0.882 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.274 0.891 4.409 1.00 0.00 H new ATOM 0 HG SER A 13 -13.444 -1.114 4.647 1.00 0.00 H new ATOM 223 N ALA A 14 -14.787 2.904 1.914 1.00 0.00 N ATOM 224 CA ALA A 14 -15.213 4.332 1.874 1.00 0.00 C ATOM 225 C ALA A 14 -14.055 5.180 1.338 1.00 0.00 C ATOM 226 O ALA A 14 -14.218 5.974 0.433 1.00 0.00 O ATOM 227 CB ALA A 14 -15.586 4.799 3.289 1.00 0.00 C ATOM 0 H ALA A 14 -13.863 2.719 1.524 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.081 4.441 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.897 5.843 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.404 4.188 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.722 4.698 3.945 1.00 0.00 H new ATOM 233 N SER A 15 -12.885 5.012 1.892 1.00 0.00 N ATOM 234 CA SER A 15 -11.713 5.800 1.421 1.00 0.00 C ATOM 235 C SER A 15 -10.431 5.169 1.963 1.00 0.00 C ATOM 236 O SER A 15 -9.497 5.854 2.332 1.00 0.00 O ATOM 237 CB SER A 15 -11.829 7.239 1.928 1.00 0.00 C ATOM 238 OG SER A 15 -12.888 7.894 1.242 1.00 0.00 O ATOM 0 H SER A 15 -12.691 4.361 2.653 1.00 0.00 H new ATOM 0 HA SER A 15 -11.687 5.802 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.017 7.245 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.891 7.771 1.766 1.00 0.00 H new ATOM 0 HG SER A 15 -13.179 7.342 0.486 1.00 0.00 H new ATOM 244 N LEU A 16 -10.381 3.862 2.019 1.00 0.00 N ATOM 245 CA LEU A 16 -9.163 3.167 2.541 1.00 0.00 C ATOM 246 C LEU A 16 -8.874 1.939 1.677 1.00 0.00 C ATOM 247 O LEU A 16 -9.593 0.961 1.715 1.00 0.00 O ATOM 248 CB LEU A 16 -9.414 2.709 3.984 1.00 0.00 C ATOM 249 CG LEU A 16 -9.389 3.915 4.945 1.00 0.00 C ATOM 250 CD1 LEU A 16 -10.170 3.573 6.217 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.942 4.261 5.329 1.00 0.00 C ATOM 0 H LEU A 16 -11.136 3.242 1.724 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.315 3.852 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.378 2.204 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.655 1.985 4.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.844 4.769 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.152 4.426 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.202 3.337 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.713 2.712 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.940 5.114 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.481 3.404 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.377 4.510 4.431 1.00 0.00 H new ATOM 263 N CYS A 17 -7.817 1.972 0.907 1.00 0.00 N ATOM 264 CA CYS A 17 -7.475 0.798 0.054 1.00 0.00 C ATOM 265 C CYS A 17 -6.495 -0.083 0.821 1.00 0.00 C ATOM 266 O CYS A 17 -5.732 0.399 1.630 1.00 0.00 O ATOM 267 CB CYS A 17 -6.821 1.282 -1.242 1.00 0.00 C ATOM 268 SG CYS A 17 -6.136 -0.135 -2.137 1.00 0.00 S ATOM 0 H CYS A 17 -7.176 2.762 0.833 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.376 0.235 -0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.555 1.797 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.032 2.000 -1.018 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.026 -1.081 -2.198 1.00 0.00 H new ATOM 274 N ARG A 18 -6.510 -1.369 0.585 1.00 0.00 N ATOM 275 CA ARG A 18 -5.573 -2.287 1.307 1.00 0.00 C ATOM 276 C ARG A 18 -4.542 -2.829 0.321 1.00 0.00 C ATOM 277 O ARG A 18 -4.839 -3.066 -0.833 1.00 0.00 O ATOM 278 CB ARG A 18 -6.363 -3.452 1.906 1.00 0.00 C ATOM 279 CG ARG A 18 -7.287 -2.929 3.008 1.00 0.00 C ATOM 280 CD ARG A 18 -7.999 -4.106 3.679 1.00 0.00 C ATOM 281 NE ARG A 18 -8.929 -3.593 4.724 1.00 0.00 N ATOM 282 CZ ARG A 18 -10.066 -3.056 4.378 1.00 0.00 C ATOM 283 NH1 ARG A 18 -10.390 -2.967 3.117 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.880 -2.606 5.293 1.00 0.00 N ATOM 0 H ARG A 18 -7.133 -1.827 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.068 -1.742 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.948 -3.946 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.680 -4.197 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.711 -2.370 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.019 -2.240 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.551 -4.682 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.268 -4.780 4.126 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.676 -3.662 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.754 -3.318 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.279 -2.547 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.627 -2.674 6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.769 -2.186 5.023 1.00 0.00 H new ATOM 298 N VAL A 19 -3.324 -3.019 0.763 1.00 0.00 N ATOM 299 CA VAL A 19 -2.264 -3.538 -0.159 1.00 0.00 C ATOM 300 C VAL A 19 -1.347 -4.510 0.582 1.00 0.00 C ATOM 301 O VAL A 19 -0.930 -4.261 1.696 1.00 0.00 O ATOM 302 CB VAL A 19 -1.420 -2.372 -0.677 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.327 -1.325 -1.324 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.660 -1.736 0.488 1.00 0.00 C ATOM 0 H VAL A 19 -3.017 -2.838 1.719 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.748 -4.053 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.711 -2.742 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.722 -0.496 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.868 -1.776 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.039 -0.955 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.058 -0.905 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.370 -1.369 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.009 -2.480 0.947 1.00 0.00 H new ATOM 314 N VAL A 20 -1.005 -5.602 -0.048 1.00 0.00 N ATOM 315 CA VAL A 20 -0.083 -6.590 0.584 1.00 0.00 C ATOM 316 C VAL A 20 1.305 -6.397 -0.027 1.00 0.00 C ATOM 317 O VAL A 20 1.508 -6.622 -1.203 1.00 0.00 O ATOM 318 CB VAL A 20 -0.574 -8.010 0.298 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.263 -9.011 1.096 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.043 -8.134 0.711 1.00 0.00 C ATOM 0 H VAL A 20 -1.328 -5.854 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.050 -6.441 1.663 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.475 -8.220 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.087 -10.023 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.310 -8.924 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.164 -8.801 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.394 -9.146 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.141 -7.923 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.642 -7.421 0.144 1.00 0.00 H new ATOM 330 N LEU A 21 2.261 -5.962 0.752 1.00 0.00 N ATOM 331 CA LEU A 21 3.631 -5.731 0.198 1.00 0.00 C ATOM 332 C LEU A 21 4.511 -6.956 0.453 1.00 0.00 C ATOM 333 O LEU A 21 4.689 -7.386 1.576 1.00 0.00 O ATOM 334 CB LEU A 21 4.252 -4.512 0.885 1.00 0.00 C ATOM 335 CG LEU A 21 3.218 -3.387 0.970 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.887 -2.122 1.509 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.646 -3.110 -0.425 1.00 0.00 C ATOM 0 H LEU A 21 2.154 -5.757 1.745 1.00 0.00 H new ATOM 0 HA LEU A 21 3.560 -5.558 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.595 -4.781 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.126 -4.175 0.328 1.00 0.00 H new ATOM 0 HG LEU A 21 2.411 -3.685 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.152 -1.320 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.292 -2.319 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.694 -1.824 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.910 -2.309 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.452 -2.812 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.169 -4.012 -0.809 1.00 0.00 H new ATOM 349 N GLN A 22 5.063 -7.518 -0.594 1.00 0.00 N ATOM 350 CA GLN A 22 5.941 -8.719 -0.447 1.00 0.00 C ATOM 351 C GLN A 22 7.403 -8.301 -0.603 1.00 0.00 C ATOM 352 O GLN A 22 7.728 -7.410 -1.364 1.00 0.00 O ATOM 353 CB GLN A 22 5.587 -9.738 -1.533 1.00 0.00 C ATOM 354 CG GLN A 22 6.454 -10.988 -1.362 1.00 0.00 C ATOM 355 CD GLN A 22 5.880 -12.127 -2.206 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.272 -12.316 -3.340 1.00 0.00 O ATOM 357 NE2 GLN A 22 4.958 -12.900 -1.697 1.00 0.00 N ATOM 0 H GLN A 22 4.941 -7.192 -1.553 1.00 0.00 H new ATOM 0 HA GLN A 22 5.792 -9.164 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.532 -10.003 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.747 -9.304 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.479 -10.777 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.487 -11.280 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.628 -12.742 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.568 -13.662 -2.252 1.00 0.00 H new ATOM 366 N SER A 23 8.290 -8.941 0.116 1.00 0.00 N ATOM 367 CA SER A 23 9.740 -8.587 0.018 1.00 0.00 C ATOM 368 C SER A 23 10.585 -9.857 0.149 1.00 0.00 C ATOM 369 O SER A 23 10.817 -10.350 1.234 1.00 0.00 O ATOM 370 CB SER A 23 10.103 -7.619 1.144 1.00 0.00 C ATOM 371 OG SER A 23 10.018 -8.295 2.392 1.00 0.00 O ATOM 0 H SER A 23 8.073 -9.695 0.768 1.00 0.00 H new ATOM 0 HA SER A 23 9.935 -8.117 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.111 -7.232 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.428 -6.763 1.135 1.00 0.00 H new ATOM 0 HG SER A 23 10.689 -9.008 2.424 1.00 0.00 H new ATOM 377 N GLY A 24 11.050 -10.386 -0.950 1.00 0.00 N ATOM 378 CA GLY A 24 11.883 -11.622 -0.890 1.00 0.00 C ATOM 379 C GLY A 24 10.996 -12.822 -0.557 1.00 0.00 C ATOM 380 O GLY A 24 10.994 -13.816 -1.256 1.00 0.00 O ATOM 0 H GLY A 24 10.889 -10.016 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.385 -11.781 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.662 -11.512 -0.135 1.00 0.00 H new ATOM 384 N ALA A 25 10.244 -12.740 0.505 1.00 0.00 N ATOM 385 CA ALA A 25 9.359 -13.877 0.883 1.00 0.00 C ATOM 386 C ALA A 25 8.418 -13.440 2.008 1.00 0.00 C ATOM 387 O ALA A 25 7.296 -13.898 2.104 1.00 0.00 O ATOM 388 CB ALA A 25 10.215 -15.052 1.361 1.00 0.00 C ATOM 0 H ALA A 25 10.204 -11.934 1.128 1.00 0.00 H new ATOM 0 HA ALA A 25 8.772 -14.183 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.568 -15.884 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.885 -15.364 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.803 -14.746 2.226 1.00 0.00 H new ATOM 394 N LEU A 26 8.865 -12.556 2.858 1.00 0.00 N ATOM 395 CA LEU A 26 7.994 -12.091 3.974 1.00 0.00 C ATOM 396 C LEU A 26 6.882 -11.204 3.409 1.00 0.00 C ATOM 397 O LEU A 26 7.127 -10.320 2.612 1.00 0.00 O ATOM 398 CB LEU A 26 8.833 -11.289 4.976 1.00 0.00 C ATOM 399 CG LEU A 26 9.647 -12.245 5.854 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.454 -13.201 4.969 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.602 -11.435 6.734 1.00 0.00 C ATOM 0 H LEU A 26 9.794 -12.136 2.828 1.00 0.00 H new ATOM 0 HA LEU A 26 7.553 -12.951 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.501 -10.611 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.183 -10.674 5.598 1.00 0.00 H new ATOM 0 HG LEU A 26 8.970 -12.823 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.031 -13.879 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.774 -13.778 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.131 -12.627 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.183 -12.112 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.276 -10.857 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.028 -10.758 7.367 1.00 0.00 H new ATOM 413 N GLU A 27 5.659 -11.434 3.817 1.00 0.00 N ATOM 414 CA GLU A 27 4.519 -10.609 3.310 1.00 0.00 C ATOM 415 C GLU A 27 4.128 -9.578 4.369 1.00 0.00 C ATOM 416 O GLU A 27 4.429 -9.729 5.537 1.00 0.00 O ATOM 417 CB GLU A 27 3.323 -11.521 3.023 1.00 0.00 C ATOM 418 CG GLU A 27 3.794 -12.751 2.247 1.00 0.00 C ATOM 419 CD GLU A 27 2.589 -13.620 1.883 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.858 -13.992 2.787 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.416 -13.897 0.708 1.00 0.00 O ATOM 0 H GLU A 27 5.400 -12.162 4.483 1.00 0.00 H new ATOM 0 HA GLU A 27 4.817 -10.097 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.852 -11.826 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.570 -10.981 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.320 -12.444 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.500 -13.324 2.848 1.00 0.00 H new ATOM 428 N MET A 28 3.457 -8.527 3.974 1.00 0.00 N ATOM 429 CA MET A 28 3.046 -7.484 4.960 1.00 0.00 C ATOM 430 C MET A 28 1.741 -6.832 4.500 1.00 0.00 C ATOM 431 O MET A 28 1.595 -6.455 3.355 1.00 0.00 O ATOM 432 CB MET A 28 4.139 -6.416 5.056 1.00 0.00 C ATOM 433 CG MET A 28 5.400 -7.028 5.669 1.00 0.00 C ATOM 434 SD MET A 28 6.572 -5.711 6.078 1.00 0.00 S ATOM 435 CE MET A 28 5.927 -5.333 7.726 1.00 0.00 C ATOM 0 H MET A 28 3.176 -8.346 3.010 1.00 0.00 H new ATOM 0 HA MET A 28 2.898 -7.946 5.936 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.360 -6.017 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.794 -5.581 5.666 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.144 -7.593 6.565 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.854 -7.729 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.515 -4.531 8.172 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.886 -5.019 7.646 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.991 -6.221 8.354 1.00 0.00 H new ATOM 445 N ILE A 29 0.796 -6.685 5.393 1.00 0.00 N ATOM 446 CA ILE A 29 -0.507 -6.046 5.032 1.00 0.00 C ATOM 447 C ILE A 29 -0.512 -4.620 5.574 1.00 0.00 C ATOM 448 O ILE A 29 -0.028 -4.364 6.659 1.00 0.00 O ATOM 449 CB ILE A 29 -1.658 -6.833 5.665 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.746 -8.216 5.015 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.973 -6.082 5.447 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.710 -9.096 5.811 1.00 0.00 C ATOM 0 H ILE A 29 0.871 -6.983 6.366 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.632 -6.039 3.949 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.478 -6.943 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.089 -8.123 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.759 -8.677 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.792 -6.643 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.910 -5.097 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.155 -5.970 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.772 -10.080 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.348 -9.199 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.699 -8.637 5.820 1.00 0.00 H new ATOM 464 N ALA A 30 -1.041 -3.680 4.835 1.00 0.00 N ATOM 465 CA ALA A 30 -1.051 -2.273 5.332 1.00 0.00 C ATOM 466 C ALA A 30 -2.286 -1.533 4.827 1.00 0.00 C ATOM 467 O ALA A 30 -2.706 -1.694 3.699 1.00 0.00 O ATOM 468 CB ALA A 30 0.209 -1.560 4.840 1.00 0.00 C ATOM 0 H ALA A 30 -1.463 -3.824 3.917 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.075 -2.282 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.209 -0.531 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.091 -2.076 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.227 -1.564 3.750 1.00 0.00 H new ATOM 474 N GLU A 31 -2.861 -0.704 5.660 1.00 0.00 N ATOM 475 CA GLU A 31 -4.061 0.074 5.237 1.00 0.00 C ATOM 476 C GLU A 31 -3.585 1.343 4.523 1.00 0.00 C ATOM 477 O GLU A 31 -2.769 2.084 5.033 1.00 0.00 O ATOM 478 CB GLU A 31 -4.891 0.448 6.470 1.00 0.00 C ATOM 479 CG GLU A 31 -5.779 -0.732 6.878 1.00 0.00 C ATOM 480 CD GLU A 31 -6.290 -0.522 8.305 1.00 0.00 C ATOM 481 OE1 GLU A 31 -5.476 -0.546 9.214 1.00 0.00 O ATOM 482 OE2 GLU A 31 -7.485 -0.341 8.465 1.00 0.00 O ATOM 0 H GLU A 31 -2.550 -0.533 6.616 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.680 -0.521 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.232 0.720 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.507 1.320 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.619 -0.822 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.215 -1.663 6.816 1.00 0.00 H new ATOM 489 N ILE A 32 -4.076 1.578 3.334 1.00 0.00 N ATOM 490 CA ILE A 32 -3.652 2.778 2.543 1.00 0.00 C ATOM 491 C ILE A 32 -4.822 3.762 2.427 1.00 0.00 C ATOM 492 O ILE A 32 -5.974 3.377 2.366 1.00 0.00 O ATOM 493 CB ILE A 32 -3.204 2.296 1.142 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.722 1.881 1.171 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.384 3.406 0.098 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.440 0.959 2.362 1.00 0.00 C ATOM 0 H ILE A 32 -4.762 0.983 2.869 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.827 3.291 3.037 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.825 1.442 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.464 1.373 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.092 2.768 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.062 3.043 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.434 3.694 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.783 4.271 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.387 0.678 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.678 1.480 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.055 0.062 2.282 1.00 0.00 H new ATOM 508 N GLU A 33 -4.516 5.036 2.384 1.00 0.00 N ATOM 509 CA GLU A 33 -5.572 6.087 2.255 1.00 0.00 C ATOM 510 C GLU A 33 -5.330 6.872 0.965 1.00 0.00 C ATOM 511 O GLU A 33 -4.467 7.725 0.903 1.00 0.00 O ATOM 512 CB GLU A 33 -5.481 7.037 3.452 1.00 0.00 C ATOM 513 CG GLU A 33 -6.751 7.889 3.528 1.00 0.00 C ATOM 514 CD GLU A 33 -6.647 8.855 4.710 1.00 0.00 C ATOM 515 OE1 GLU A 33 -6.569 8.382 5.832 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.647 10.051 4.473 1.00 0.00 O ATOM 0 H GLU A 33 -3.563 5.397 2.434 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.559 5.626 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.357 6.467 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.605 7.679 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.884 8.446 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.625 7.248 3.644 1.00 0.00 H new ATOM 523 N ALA A 34 -6.074 6.590 -0.073 1.00 0.00 N ATOM 524 CA ALA A 34 -5.869 7.321 -1.360 1.00 0.00 C ATOM 525 C ALA A 34 -7.186 7.400 -2.131 1.00 0.00 C ATOM 526 O ALA A 34 -8.256 7.224 -1.582 1.00 0.00 O ATOM 527 CB ALA A 34 -4.839 6.572 -2.208 1.00 0.00 C ATOM 0 H ALA A 34 -6.813 5.887 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.515 8.329 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.687 7.102 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.895 6.515 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.201 5.565 -2.414 1.00 0.00 H new ATOM 533 N CYS A 35 -7.110 7.667 -3.406 1.00 0.00 N ATOM 534 CA CYS A 35 -8.345 7.762 -4.235 1.00 0.00 C ATOM 535 C CYS A 35 -7.995 7.437 -5.688 1.00 0.00 C ATOM 536 O CYS A 35 -8.858 7.198 -6.508 1.00 0.00 O ATOM 537 CB CYS A 35 -8.907 9.182 -4.152 1.00 0.00 C ATOM 538 SG CYS A 35 -10.596 9.202 -4.800 1.00 0.00 S ATOM 0 H CYS A 35 -6.239 7.825 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.091 7.057 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.899 9.528 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.279 9.867 -4.722 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.688 8.373 -5.797 1.00 0.00 H new ATOM 544 N ARG A 36 -6.729 7.423 -6.009 1.00 0.00 N ATOM 545 CA ARG A 36 -6.317 7.109 -7.405 1.00 0.00 C ATOM 546 C ARG A 36 -6.538 5.619 -7.667 1.00 0.00 C ATOM 547 O ARG A 36 -6.905 5.216 -8.752 1.00 0.00 O ATOM 548 CB ARG A 36 -4.834 7.447 -7.587 1.00 0.00 C ATOM 549 CG ARG A 36 -4.545 8.819 -6.973 1.00 0.00 C ATOM 550 CD ARG A 36 -3.135 9.267 -7.364 1.00 0.00 C ATOM 551 NE ARG A 36 -2.808 10.542 -6.667 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.539 10.537 -5.389 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.558 9.415 -4.724 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.252 11.653 -4.778 1.00 0.00 N ATOM 0 H ARG A 36 -5.963 7.616 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.909 7.697 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.215 6.686 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.578 7.449 -8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.279 9.546 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.634 8.770 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.410 8.498 -7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.072 9.404 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.794 11.419 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.783 8.543 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.348 9.410 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.238 12.530 -5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.042 11.649 -3.780 1.00 0.00 H new ATOM 568 N LEU A 37 -6.327 4.799 -6.672 1.00 0.00 N ATOM 569 CA LEU A 37 -6.529 3.334 -6.850 1.00 0.00 C ATOM 570 C LEU A 37 -5.887 2.875 -8.164 1.00 0.00 C ATOM 571 O LEU A 37 -6.369 1.972 -8.819 1.00 0.00 O ATOM 572 CB LEU A 37 -8.027 3.039 -6.870 1.00 0.00 C ATOM 573 CG LEU A 37 -8.722 3.856 -5.777 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.200 3.464 -5.706 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.054 3.581 -4.425 1.00 0.00 C ATOM 0 H LEU A 37 -6.022 5.083 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.061 2.795 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.445 3.287 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.201 1.975 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.639 4.917 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.694 4.046 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.676 3.664 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.284 2.402 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.550 4.164 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.134 2.520 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.003 3.864 -4.474 1.00 0.00 H new ATOM 587 N ARG A 38 -4.802 3.491 -8.552 1.00 0.00 N ATOM 588 CA ARG A 38 -4.125 3.092 -9.822 1.00 0.00 C ATOM 589 C ARG A 38 -3.183 1.921 -9.546 1.00 0.00 C ATOM 590 O ARG A 38 -2.447 1.485 -10.409 1.00 0.00 O ATOM 591 CB ARG A 38 -3.314 4.270 -10.362 1.00 0.00 C ATOM 592 CG ARG A 38 -4.259 5.385 -10.806 1.00 0.00 C ATOM 593 CD ARG A 38 -3.445 6.641 -11.116 1.00 0.00 C ATOM 594 NE ARG A 38 -4.355 7.719 -11.596 1.00 0.00 N ATOM 595 CZ ARG A 38 -4.888 7.642 -12.786 1.00 0.00 C ATOM 596 NH1 ARG A 38 -4.621 6.622 -13.554 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.684 8.586 -13.206 1.00 0.00 N ATOM 0 H ARG A 38 -4.354 4.254 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.876 2.798 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.636 4.640 -9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.699 3.946 -11.201 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.819 5.074 -11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.988 5.594 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.912 6.971 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.693 6.422 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.562 8.517 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.997 5.886 -13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.037 6.561 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.890 9.384 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.100 8.526 -14.135 1.00 0.00 H new ATOM 611 N LEU A 39 -3.197 1.413 -8.347 1.00 0.00 N ATOM 612 CA LEU A 39 -2.301 0.274 -8.010 1.00 0.00 C ATOM 613 C LEU A 39 -2.685 -0.940 -8.855 1.00 0.00 C ATOM 614 O LEU A 39 -3.756 -1.000 -9.425 1.00 0.00 O ATOM 615 CB LEU A 39 -2.445 -0.075 -6.526 1.00 0.00 C ATOM 616 CG LEU A 39 -2.430 1.206 -5.688 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.494 0.841 -4.202 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.143 1.989 -5.968 1.00 0.00 C ATOM 0 H LEU A 39 -3.791 1.738 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.268 0.554 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.375 -0.618 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.632 -0.732 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.290 1.822 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.483 1.752 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.411 0.286 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.633 0.225 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.134 2.901 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.280 1.376 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.098 2.248 -7.026 1.00 0.00 H new ATOM 630 N ARG A 40 -1.820 -1.911 -8.935 1.00 0.00 N ATOM 631 CA ARG A 40 -2.136 -3.124 -9.736 1.00 0.00 C ATOM 632 C ARG A 40 -1.216 -4.266 -9.301 1.00 0.00 C ATOM 633 O ARG A 40 -0.208 -4.052 -8.659 1.00 0.00 O ATOM 634 CB ARG A 40 -1.919 -2.826 -11.223 1.00 0.00 C ATOM 635 CG ARG A 40 -2.599 -3.906 -12.069 1.00 0.00 C ATOM 636 CD ARG A 40 -2.500 -3.532 -13.549 1.00 0.00 C ATOM 637 NE ARG A 40 -2.902 -4.700 -14.383 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.160 -5.042 -14.464 1.00 0.00 C ATOM 639 NH1 ARG A 40 -5.064 -4.362 -13.814 1.00 0.00 N ATOM 640 NH2 ARG A 40 -4.512 -6.065 -15.193 1.00 0.00 N ATOM 0 H ARG A 40 -0.907 -1.917 -8.480 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.175 -3.410 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.326 -1.846 -11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.852 -2.794 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.125 -4.872 -11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.644 -4.007 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.144 -2.679 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.481 -3.231 -13.792 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.195 -5.232 -14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.788 -3.563 -13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.046 -4.629 -13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.805 -6.598 -15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.494 -6.332 -15.256 1.00 0.00 H new ATOM 654 N GLU A 41 -1.551 -5.478 -9.642 1.00 0.00 N ATOM 655 CA GLU A 41 -0.690 -6.626 -9.241 1.00 0.00 C ATOM 656 C GLU A 41 0.672 -6.512 -9.930 1.00 0.00 C ATOM 657 O GLU A 41 0.759 -6.303 -11.124 1.00 0.00 O ATOM 658 CB GLU A 41 -1.363 -7.937 -9.654 1.00 0.00 C ATOM 659 CG GLU A 41 -2.534 -8.229 -8.714 1.00 0.00 C ATOM 660 CD GLU A 41 -3.366 -9.383 -9.276 1.00 0.00 C ATOM 661 OE1 GLU A 41 -4.048 -9.169 -10.265 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.307 -10.461 -8.709 1.00 0.00 O ATOM 0 H GLU A 41 -2.382 -5.724 -10.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.550 -6.613 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.717 -7.868 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.643 -8.754 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.162 -8.485 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.155 -7.340 -8.603 1.00 0.00 H new ATOM 669 N GLY A 42 1.737 -6.652 -9.186 1.00 0.00 N ATOM 670 CA GLY A 42 3.099 -6.556 -9.793 1.00 0.00 C ATOM 671 C GLY A 42 3.575 -5.102 -9.771 1.00 0.00 C ATOM 672 O GLY A 42 4.520 -4.740 -10.443 1.00 0.00 O ATOM 0 H GLY A 42 1.723 -6.829 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.798 -7.185 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.077 -6.926 -10.818 1.00 0.00 H new ATOM 676 N ASP A 43 2.932 -4.264 -9.003 1.00 0.00 N ATOM 677 CA ASP A 43 3.357 -2.838 -8.944 1.00 0.00 C ATOM 678 C ASP A 43 4.714 -2.735 -8.247 1.00 0.00 C ATOM 679 O ASP A 43 4.924 -3.294 -7.184 1.00 0.00 O ATOM 680 CB ASP A 43 2.323 -2.023 -8.163 1.00 0.00 C ATOM 681 CG ASP A 43 2.562 -0.530 -8.401 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.610 -0.196 -8.931 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.696 0.252 -8.050 1.00 0.00 O ATOM 0 H ASP A 43 2.133 -4.505 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 43 3.437 -2.446 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.316 -2.296 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.395 -2.248 -7.099 1.00 0.00 H new ATOM 688 N LYS A 44 5.639 -2.021 -8.839 1.00 0.00 N ATOM 689 CA LYS A 44 6.991 -1.867 -8.223 1.00 0.00 C ATOM 690 C LYS A 44 7.008 -0.607 -7.352 1.00 0.00 C ATOM 691 O LYS A 44 6.916 0.504 -7.843 1.00 0.00 O ATOM 692 CB LYS A 44 8.043 -1.750 -9.335 1.00 0.00 C ATOM 693 CG LYS A 44 7.467 -0.942 -10.502 1.00 0.00 C ATOM 694 CD LYS A 44 8.601 -0.506 -11.433 1.00 0.00 C ATOM 695 CE LYS A 44 9.250 -1.738 -12.067 1.00 0.00 C ATOM 696 NZ LYS A 44 10.070 -1.320 -13.239 1.00 0.00 N ATOM 0 H LYS A 44 5.514 -1.536 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 44 7.219 -2.735 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.941 -1.265 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.338 -2.742 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.743 -1.543 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.936 -0.068 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.214 0.153 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.345 0.062 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.876 -2.249 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.483 -2.446 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.511 -2.157 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.461 -0.850 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.811 -0.660 -12.927 1.00 0.00 H new ATOM 710 N LEU A 45 7.119 -0.777 -6.057 1.00 0.00 N ATOM 711 CA LEU A 45 7.138 0.396 -5.128 1.00 0.00 C ATOM 712 C LEU A 45 8.563 0.625 -4.617 1.00 0.00 C ATOM 713 O LEU A 45 9.290 -0.310 -4.345 1.00 0.00 O ATOM 714 CB LEU A 45 6.220 0.110 -3.936 1.00 0.00 C ATOM 715 CG LEU A 45 4.899 -0.482 -4.429 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.982 -0.737 -3.231 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.222 0.502 -5.388 1.00 0.00 C ATOM 0 H LEU A 45 7.198 -1.686 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 45 6.794 1.283 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.706 -0.583 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.032 1.029 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 45 5.092 -1.420 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.039 -1.159 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.463 -1.436 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.790 0.203 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.281 0.079 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.027 1.440 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.876 0.688 -6.240 1.00 0.00 H new ATOM 729 N THR A 46 8.961 1.868 -4.479 1.00 0.00 N ATOM 730 CA THR A 46 10.338 2.186 -3.977 1.00 0.00 C ATOM 731 C THR A 46 10.222 3.177 -2.809 1.00 0.00 C ATOM 732 O THR A 46 9.287 3.950 -2.746 1.00 0.00 O ATOM 733 CB THR A 46 11.152 2.828 -5.108 1.00 0.00 C ATOM 734 OG1 THR A 46 12.147 3.676 -4.551 1.00 0.00 O ATOM 735 CG2 THR A 46 10.228 3.650 -6.006 1.00 0.00 C ATOM 0 H THR A 46 8.386 2.683 -4.694 1.00 0.00 H new ATOM 0 HA THR A 46 10.834 1.274 -3.643 1.00 0.00 H new ATOM 0 HB THR A 46 11.627 2.046 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.669 4.086 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.810 4.104 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.465 3.000 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.750 4.432 -5.417 1.00 0.00 H new ATOM 743 N PRO A 47 11.158 3.163 -1.887 1.00 0.00 N ATOM 744 CA PRO A 47 11.135 4.087 -0.712 1.00 0.00 C ATOM 745 C PRO A 47 11.468 5.531 -1.111 1.00 0.00 C ATOM 746 O PRO A 47 12.499 5.799 -1.698 1.00 0.00 O ATOM 747 CB PRO A 47 12.212 3.511 0.219 1.00 0.00 C ATOM 748 CG PRO A 47 13.177 2.831 -0.698 1.00 0.00 C ATOM 749 CD PRO A 47 12.338 2.276 -1.852 1.00 0.00 C ATOM 0 HA PRO A 47 10.150 4.142 -0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.700 4.297 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.784 2.810 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.929 3.531 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.709 2.032 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.886 2.302 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.054 1.238 -1.677 1.00 0.00 H new ATOM 757 N LEU A 48 10.606 6.460 -0.798 1.00 0.00 N ATOM 758 CA LEU A 48 10.876 7.881 -1.161 1.00 0.00 C ATOM 759 C LEU A 48 11.824 8.496 -0.128 1.00 0.00 C ATOM 760 O LEU A 48 12.903 8.950 -0.455 1.00 0.00 O ATOM 761 CB LEU A 48 9.556 8.662 -1.190 1.00 0.00 C ATOM 762 CG LEU A 48 9.825 10.170 -1.324 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.803 10.431 -2.476 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.505 10.897 -1.604 1.00 0.00 C ATOM 0 H LEU A 48 9.727 6.297 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 48 11.339 7.927 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.943 8.321 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.991 8.467 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 48 10.262 10.539 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.986 11.502 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.743 9.916 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.375 10.060 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.692 11.967 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.071 10.520 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.812 10.722 -0.781 1.00 0.00 H new ATOM 776 N ALA A 49 11.431 8.519 1.118 1.00 0.00 N ATOM 777 CA ALA A 49 12.316 9.109 2.162 1.00 0.00 C ATOM 778 C ALA A 49 11.754 8.813 3.554 1.00 0.00 C ATOM 779 O ALA A 49 12.261 7.975 4.274 1.00 0.00 O ATOM 780 CB ALA A 49 12.400 10.623 1.959 1.00 0.00 C ATOM 0 H ALA A 49 10.540 8.156 1.456 1.00 0.00 H new ATOM 0 HA ALA A 49 13.310 8.670 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.047 11.057 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.810 10.836 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.403 11.057 2.039 1.00 0.00 H new ATOM 786 N ASP A 50 10.716 9.502 3.946 1.00 0.00 N ATOM 787 CA ASP A 50 10.132 9.267 5.299 1.00 0.00 C ATOM 788 C ASP A 50 9.350 7.952 5.311 1.00 0.00 C ATOM 789 O ASP A 50 9.494 7.145 6.208 1.00 0.00 O ATOM 790 CB ASP A 50 9.191 10.421 5.653 1.00 0.00 C ATOM 791 CG ASP A 50 8.169 10.608 4.531 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.552 11.098 3.482 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.019 10.257 4.740 1.00 0.00 O ATOM 0 H ASP A 50 10.247 10.217 3.389 1.00 0.00 H new ATOM 0 HA ASP A 50 10.938 9.210 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.681 10.213 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.762 11.339 5.796 1.00 0.00 H new ATOM 798 N ALA A 51 8.522 7.727 4.327 1.00 0.00 N ATOM 799 CA ALA A 51 7.733 6.462 4.291 1.00 0.00 C ATOM 800 C ALA A 51 6.889 6.420 3.016 1.00 0.00 C ATOM 801 O ALA A 51 6.587 5.364 2.497 1.00 0.00 O ATOM 802 CB ALA A 51 6.811 6.400 5.514 1.00 0.00 C ATOM 0 H ALA A 51 8.358 8.364 3.547 1.00 0.00 H new ATOM 0 HA ALA A 51 8.414 5.611 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.234 5.476 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.411 6.428 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.132 7.252 5.501 1.00 0.00 H new ATOM 808 N ARG A 52 6.504 7.559 2.505 1.00 0.00 N ATOM 809 CA ARG A 52 5.678 7.576 1.264 1.00 0.00 C ATOM 810 C ARG A 52 6.312 6.656 0.220 1.00 0.00 C ATOM 811 O ARG A 52 7.508 6.675 0.005 1.00 0.00 O ATOM 812 CB ARG A 52 5.611 9.003 0.716 1.00 0.00 C ATOM 813 CG ARG A 52 4.846 9.893 1.696 1.00 0.00 C ATOM 814 CD ARG A 52 4.484 11.212 1.011 1.00 0.00 C ATOM 815 NE ARG A 52 4.030 12.195 2.035 1.00 0.00 N ATOM 816 CZ ARG A 52 4.000 13.468 1.750 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.368 13.880 0.568 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.602 14.328 2.647 1.00 0.00 N ATOM 0 H ARG A 52 6.725 8.476 2.893 1.00 0.00 H new ATOM 0 HA ARG A 52 4.670 7.228 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.618 9.393 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.118 9.007 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.942 9.387 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.454 10.085 2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.347 11.604 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.697 11.048 0.275 1.00 0.00 H new ATOM 0 HE ARG A 52 3.743 11.873 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.679 13.207 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.345 14.875 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.314 14.005 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.579 15.323 2.424 1.00 0.00 H new ATOM 832 N TYR A 53 5.515 5.844 -0.429 1.00 0.00 N ATOM 833 CA TYR A 53 6.057 4.907 -1.462 1.00 0.00 C ATOM 834 C TYR A 53 5.735 5.446 -2.856 1.00 0.00 C ATOM 835 O TYR A 53 4.628 5.865 -3.126 1.00 0.00 O ATOM 836 CB TYR A 53 5.401 3.534 -1.284 1.00 0.00 C ATOM 837 CG TYR A 53 6.010 2.832 -0.093 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.205 2.116 -0.238 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.380 2.896 1.155 1.00 0.00 C ATOM 840 CE1 TYR A 53 7.770 1.466 0.865 1.00 0.00 C ATOM 841 CE2 TYR A 53 5.945 2.245 2.259 1.00 0.00 C ATOM 842 CZ TYR A 53 7.140 1.530 2.114 1.00 0.00 C ATOM 843 OH TYR A 53 7.696 0.888 3.202 1.00 0.00 O ATOM 0 H TYR A 53 4.506 5.789 -0.287 1.00 0.00 H new ATOM 0 HA TYR A 53 7.137 4.818 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.327 3.649 -1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.540 2.934 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.691 2.066 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.458 3.447 1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.692 0.915 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.459 2.295 3.222 1.00 0.00 H new ATOM 0 HH TYR A 53 7.133 1.034 3.991 1.00 0.00 H new ATOM 853 N CYS A 54 6.699 5.434 -3.745 1.00 0.00 N ATOM 854 CA CYS A 54 6.468 5.941 -5.135 1.00 0.00 C ATOM 855 C CYS A 54 6.441 4.761 -6.107 1.00 0.00 C ATOM 856 O CYS A 54 7.382 3.998 -6.196 1.00 0.00 O ATOM 857 CB CYS A 54 7.604 6.891 -5.522 1.00 0.00 C ATOM 858 SG CYS A 54 7.318 7.526 -7.192 1.00 0.00 S ATOM 0 H CYS A 54 7.643 5.092 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 54 5.517 6.471 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.660 7.716 -4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.560 6.369 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 54 8.376 8.161 -7.602 1.00 0.00 H new ATOM 864 N LEU A 55 5.369 4.602 -6.840 1.00 0.00 N ATOM 865 CA LEU A 55 5.282 3.467 -7.809 1.00 0.00 C ATOM 866 C LEU A 55 5.752 3.937 -9.185 1.00 0.00 C ATOM 867 O LEU A 55 5.552 5.073 -9.564 1.00 0.00 O ATOM 868 CB LEU A 55 3.828 2.974 -7.894 1.00 0.00 C ATOM 869 CG LEU A 55 2.868 4.142 -8.257 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.551 4.133 -9.759 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.551 4.000 -7.476 1.00 0.00 C ATOM 0 H LEU A 55 4.550 5.209 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 55 5.918 2.649 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.750 2.187 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.531 2.537 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 55 3.360 5.079 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.878 4.958 -9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.475 4.246 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.075 3.189 -10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.884 4.822 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.077 3.053 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.758 4.025 -6.406 1.00 0.00 H new ATOM 883 N ASN A 56 6.379 3.071 -9.933 1.00 0.00 N ATOM 884 CA ASN A 56 6.865 3.465 -11.287 1.00 0.00 C ATOM 885 C ASN A 56 7.847 4.634 -11.161 1.00 0.00 C ATOM 886 O ASN A 56 8.229 5.244 -12.139 1.00 0.00 O ATOM 887 CB ASN A 56 5.675 3.880 -12.161 1.00 0.00 C ATOM 888 CG ASN A 56 6.087 3.861 -13.635 1.00 0.00 C ATOM 889 OD1 ASN A 56 5.694 2.981 -14.375 1.00 0.00 O ATOM 890 ND2 ASN A 56 6.865 4.801 -14.096 1.00 0.00 N ATOM 0 H ASN A 56 6.576 2.107 -9.665 1.00 0.00 H new ATOM 0 HA ASN A 56 7.372 2.618 -11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.838 3.201 -11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.336 4.877 -11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.143 4.797 -15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.195 5.540 -13.475 1.00 0.00 H new ATOM 897 N ASN A 57 8.264 4.941 -9.962 1.00 0.00 N ATOM 898 CA ASN A 57 9.230 6.060 -9.759 1.00 0.00 C ATOM 899 C ASN A 57 8.622 7.383 -10.240 1.00 0.00 C ATOM 900 O ASN A 57 9.287 8.188 -10.863 1.00 0.00 O ATOM 901 CB ASN A 57 10.521 5.775 -10.537 1.00 0.00 C ATOM 902 CG ASN A 57 11.655 6.647 -9.993 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.855 7.756 -10.448 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.410 6.190 -9.031 1.00 0.00 N ATOM 0 H ASN A 57 7.975 4.462 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 57 9.455 6.141 -8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.785 4.721 -10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.370 5.978 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.168 6.764 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.242 5.259 -8.649 1.00 0.00 H new ATOM 911 N ASN A 58 7.366 7.618 -9.947 1.00 0.00 N ATOM 912 CA ASN A 58 6.697 8.890 -10.370 1.00 0.00 C ATOM 913 C ASN A 58 6.033 9.530 -9.138 1.00 0.00 C ATOM 914 O ASN A 58 4.896 9.234 -8.828 1.00 0.00 O ATOM 915 CB ASN A 58 5.626 8.569 -11.418 1.00 0.00 C ATOM 916 CG ASN A 58 6.189 7.578 -12.439 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.387 7.418 -12.552 1.00 0.00 O ATOM 918 ND2 ASN A 58 5.366 6.904 -13.195 1.00 0.00 N ATOM 0 H ASN A 58 6.768 6.976 -9.427 1.00 0.00 H new ATOM 0 HA ASN A 58 7.428 9.577 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.744 8.148 -10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.308 9.483 -11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.729 6.242 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.359 7.039 -13.100 1.00 0.00 H new ATOM 925 N PRO A 59 6.733 10.390 -8.427 1.00 0.00 N ATOM 926 CA PRO A 59 6.188 11.054 -7.202 1.00 0.00 C ATOM 927 C PRO A 59 4.760 11.583 -7.394 1.00 0.00 C ATOM 928 O PRO A 59 4.115 12.007 -6.455 1.00 0.00 O ATOM 929 CB PRO A 59 7.171 12.202 -6.956 1.00 0.00 C ATOM 930 CG PRO A 59 8.472 11.699 -7.491 1.00 0.00 C ATOM 931 CD PRO A 59 8.118 10.826 -8.701 1.00 0.00 C ATOM 0 HA PRO A 59 6.107 10.359 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.856 13.111 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.244 12.442 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.121 12.525 -7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.008 11.123 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.184 11.388 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.794 9.976 -8.793 1.00 0.00 H new ATOM 939 N THR A 60 4.262 11.554 -8.597 1.00 0.00 N ATOM 940 CA THR A 60 2.875 12.046 -8.845 1.00 0.00 C ATOM 941 C THR A 60 1.879 10.961 -8.423 1.00 0.00 C ATOM 942 O THR A 60 0.702 11.213 -8.252 1.00 0.00 O ATOM 943 CB THR A 60 2.702 12.344 -10.341 1.00 0.00 C ATOM 944 OG1 THR A 60 1.345 12.141 -10.707 1.00 0.00 O ATOM 945 CG2 THR A 60 3.600 11.412 -11.163 1.00 0.00 C ATOM 0 H THR A 60 4.754 11.211 -9.422 1.00 0.00 H new ATOM 0 HA THR A 60 2.696 12.955 -8.271 1.00 0.00 H new ATOM 0 HB THR A 60 2.984 13.378 -10.539 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.266 12.143 -11.684 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.474 11.627 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.641 11.569 -10.882 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.324 10.376 -10.968 1.00 0.00 H new ATOM 953 N GLN A 61 2.357 9.754 -8.257 1.00 0.00 N ATOM 954 CA GLN A 61 1.478 8.613 -7.846 1.00 0.00 C ATOM 955 C GLN A 61 2.074 7.953 -6.604 1.00 0.00 C ATOM 956 O GLN A 61 2.520 6.825 -6.649 1.00 0.00 O ATOM 957 CB GLN A 61 1.401 7.581 -8.974 1.00 0.00 C ATOM 958 CG GLN A 61 1.021 8.272 -10.283 1.00 0.00 C ATOM 959 CD GLN A 61 -0.310 9.004 -10.108 1.00 0.00 C ATOM 960 OE1 GLN A 61 -1.244 8.465 -9.548 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.438 10.220 -10.565 1.00 0.00 N ATOM 0 H GLN A 61 3.337 9.505 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 61 0.476 8.985 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.361 7.077 -9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.665 6.815 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.800 8.977 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.941 7.537 -11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.346 10.673 -11.035 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.322 10.717 -10.452 1.00 0.00 H new ATOM 970 N THR A 62 2.115 8.650 -5.498 1.00 0.00 N ATOM 971 CA THR A 62 2.720 8.057 -4.267 1.00 0.00 C ATOM 972 C THR A 62 1.629 7.414 -3.414 1.00 0.00 C ATOM 973 O THR A 62 0.473 7.385 -3.783 1.00 0.00 O ATOM 974 CB THR A 62 3.409 9.157 -3.457 1.00 0.00 C ATOM 975 OG1 THR A 62 2.463 10.164 -3.128 1.00 0.00 O ATOM 976 CG2 THR A 62 4.541 9.766 -4.283 1.00 0.00 C ATOM 0 H THR A 62 1.758 9.600 -5.393 1.00 0.00 H new ATOM 0 HA THR A 62 3.449 7.300 -4.555 1.00 0.00 H new ATOM 0 HB THR A 62 3.819 8.732 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.903 10.868 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.032 10.550 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.266 8.992 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.134 10.192 -5.200 1.00 0.00 H new ATOM 984 N LEU A 63 1.999 6.859 -2.288 1.00 0.00 N ATOM 985 CA LEU A 63 0.996 6.171 -1.421 1.00 0.00 C ATOM 986 C LEU A 63 1.348 6.397 0.056 1.00 0.00 C ATOM 987 O LEU A 63 2.502 6.369 0.439 1.00 0.00 O ATOM 988 CB LEU A 63 1.043 4.669 -1.764 1.00 0.00 C ATOM 989 CG LEU A 63 -0.333 4.005 -1.593 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.354 4.591 -2.595 1.00 0.00 C ATOM 991 CD2 LEU A 63 -0.170 2.497 -1.839 1.00 0.00 C ATOM 0 H LEU A 63 2.955 6.853 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.006 6.565 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.384 4.541 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.770 4.171 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.706 4.192 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.320 4.106 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.458 5.663 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.005 4.418 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.135 2.003 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.203 2.331 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.537 2.085 -1.119 1.00 0.00 H new ATOM 1003 N LYS A 64 0.358 6.621 0.889 1.00 0.00 N ATOM 1004 CA LYS A 64 0.620 6.849 2.346 1.00 0.00 C ATOM 1005 C LYS A 64 0.234 5.600 3.139 1.00 0.00 C ATOM 1006 O LYS A 64 -0.804 5.008 2.916 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.220 8.033 2.829 1.00 0.00 C ATOM 1008 CG LYS A 64 0.240 9.310 2.121 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.333 10.531 2.842 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.118 11.779 1.985 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.343 12.030 1.830 1.00 0.00 N ATOM 0 H LYS A 64 -0.625 6.656 0.620 1.00 0.00 H new ATOM 0 HA LYS A 64 1.679 7.061 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.275 7.851 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.120 8.147 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.329 9.360 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.089 9.301 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.396 10.387 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.151 10.655 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.581 11.646 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.598 12.640 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.494 13.001 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.816 11.906 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.740 11.358 1.143 1.00 0.00 H new ATOM 1025 N ILE A 65 1.058 5.194 4.071 1.00 0.00 N ATOM 1026 CA ILE A 65 0.737 3.982 4.886 1.00 0.00 C ATOM 1027 C ILE A 65 0.019 4.405 6.169 1.00 0.00 C ATOM 1028 O ILE A 65 0.430 5.324 6.850 1.00 0.00 O ATOM 1029 CB ILE A 65 2.029 3.241 5.252 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.088 4.242 5.725 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.555 2.490 4.029 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.332 3.485 6.196 1.00 0.00 C ATOM 0 H ILE A 65 1.940 5.650 4.304 1.00 0.00 H new ATOM 0 HA ILE A 65 0.094 3.322 4.304 1.00 0.00 H new ATOM 0 HB ILE A 65 1.817 2.533 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.349 4.922 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.691 4.851 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.473 1.964 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.808 1.770 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.760 3.199 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.086 4.197 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.065 2.823 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.733 2.895 5.372 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.049 3.736 6.510 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.794 4.084 7.757 1.00 0.00 C ATOM 1046 C ARG A 66 -1.324 3.155 8.878 1.00 0.00 C ATOM 1047 O ARG A 66 -1.255 3.539 10.028 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.298 3.895 7.515 1.00 0.00 C ATOM 1049 CG ARG A 66 -4.079 4.071 8.827 1.00 0.00 C ATOM 1050 CD ARG A 66 -3.728 5.413 9.478 1.00 0.00 C ATOM 1051 NE ARG A 66 -4.816 5.808 10.416 1.00 0.00 N ATOM 1052 CZ ARG A 66 -4.670 6.855 11.180 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -3.572 7.557 11.125 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -5.625 7.201 12.001 1.00 0.00 N ATOM 0 H ARG A 66 -1.440 2.960 5.977 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.607 5.121 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.647 4.617 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.485 2.903 7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.150 4.024 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.844 3.255 9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.782 5.333 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.597 6.178 8.712 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.675 5.260 10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.826 7.287 10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.459 8.376 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.484 6.653 12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.512 8.020 12.599 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.995 1.935 8.541 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.523 0.969 9.573 1.00 0.00 C ATOM 1070 C ASN A 67 -0.103 -0.337 8.890 1.00 0.00 C ATOM 1071 O ASN A 67 -0.930 -1.085 8.409 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.656 0.679 10.565 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.223 -0.427 11.530 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.012 -1.277 11.892 1.00 0.00 O ATOM 1075 ND2 ASN A 67 0.007 -0.451 11.966 1.00 0.00 N ATOM 0 H ASN A 67 -1.034 1.566 7.591 1.00 0.00 H new ATOM 0 HA ASN A 67 0.326 1.396 10.107 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.907 1.583 11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.555 0.376 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.305 -1.183 12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.670 0.262 11.662 1.00 0.00 H new ATOM 1082 N ALA A 68 1.176 -0.613 8.842 1.00 0.00 N ATOM 1083 CA ALA A 68 1.652 -1.871 8.191 1.00 0.00 C ATOM 1084 C ALA A 68 1.626 -3.017 9.205 1.00 0.00 C ATOM 1085 O ALA A 68 1.699 -2.803 10.399 1.00 0.00 O ATOM 1086 CB ALA A 68 3.083 -1.680 7.686 1.00 0.00 C ATOM 0 H ALA A 68 1.912 -0.020 9.226 1.00 0.00 H new ATOM 0 HA ALA A 68 0.997 -2.109 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.427 -2.599 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.107 -0.866 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.736 -1.438 8.525 1.00 0.00 H new ATOM 1092 N THR A 69 1.527 -4.236 8.735 1.00 0.00 N ATOM 1093 CA THR A 69 1.501 -5.412 9.662 1.00 0.00 C ATOM 1094 C THR A 69 2.371 -6.530 9.083 1.00 0.00 C ATOM 1095 O THR A 69 2.762 -6.492 7.932 1.00 0.00 O ATOM 1096 CB THR A 69 0.062 -5.912 9.811 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.253 -6.771 8.725 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.897 -4.720 9.819 1.00 0.00 C ATOM 0 H THR A 69 1.463 -4.469 7.744 1.00 0.00 H new ATOM 0 HA THR A 69 1.885 -5.117 10.638 1.00 0.00 H new ATOM 0 HB THR A 69 -0.038 -6.460 10.748 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.150 -7.144 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.921 -5.078 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.654 -4.063 10.654 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.800 -4.169 8.884 1.00 0.00 H new ATOM 1106 N HIS A 70 2.685 -7.524 9.872 1.00 0.00 N ATOM 1107 CA HIS A 70 3.538 -8.645 9.374 1.00 0.00 C ATOM 1108 C HIS A 70 2.655 -9.766 8.819 1.00 0.00 C ATOM 1109 O HIS A 70 2.908 -10.933 9.044 1.00 0.00 O ATOM 1110 CB HIS A 70 4.380 -9.190 10.528 1.00 0.00 C ATOM 1111 CG HIS A 70 5.241 -8.090 11.085 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.529 -7.853 10.625 1.00 0.00 N ATOM 1113 CD2 HIS A 70 5.014 -7.155 12.065 1.00 0.00 C ATOM 1114 CE1 HIS A 70 7.023 -6.811 11.322 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.139 -6.352 12.209 1.00 0.00 N ATOM 0 H HIS A 70 2.386 -7.608 10.844 1.00 0.00 H new ATOM 0 HA HIS A 70 4.190 -8.276 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.732 -9.589 11.308 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.004 -10.013 10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.102 -7.059 12.636 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.011 -6.399 11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.263 -5.574 12.857 1.00 0.00 H new ATOM 1124 N TYR A 71 1.624 -9.428 8.092 1.00 0.00 N ATOM 1125 CA TYR A 71 0.739 -10.485 7.527 1.00 0.00 C ATOM 1126 C TYR A 71 0.314 -11.441 8.645 1.00 0.00 C ATOM 1127 O TYR A 71 0.210 -12.636 8.452 1.00 0.00 O ATOM 1128 CB TYR A 71 1.499 -11.257 6.443 1.00 0.00 C ATOM 1129 CG TYR A 71 0.622 -12.359 5.889 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.486 -12.040 5.095 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.919 -13.701 6.166 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.297 -13.058 4.581 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.108 -14.719 5.652 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.000 -14.398 4.860 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.801 -15.401 4.352 1.00 0.00 O ATOM 0 H TYR A 71 1.358 -8.470 7.866 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.148 -10.028 7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.797 -10.580 5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.413 -11.681 6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.715 -11.007 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.774 -13.949 6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.152 -12.810 3.969 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.337 -15.752 5.867 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.456 -16.272 4.639 1.00 0.00 H new ATOM 1145 N SER A 72 0.066 -10.924 9.817 1.00 0.00 N ATOM 1146 CA SER A 72 -0.351 -11.804 10.944 1.00 0.00 C ATOM 1147 C SER A 72 -1.743 -12.370 10.657 1.00 0.00 C ATOM 1148 O SER A 72 -2.695 -11.639 10.474 1.00 0.00 O ATOM 1149 CB SER A 72 -0.388 -10.993 12.240 1.00 0.00 C ATOM 1150 OG SER A 72 0.941 -10.680 12.636 1.00 0.00 O ATOM 0 H SER A 72 0.134 -9.932 10.042 1.00 0.00 H new ATOM 0 HA SER A 72 0.361 -12.622 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.961 -10.078 12.093 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.889 -11.561 13.024 1.00 0.00 H new ATOM 0 HG SER A 72 0.921 -10.159 13.466 1.00 0.00 H new ATOM 1156 N SER A 73 -1.869 -13.669 10.616 1.00 0.00 N ATOM 1157 CA SER A 73 -3.201 -14.281 10.340 1.00 0.00 C ATOM 1158 C SER A 73 -4.259 -13.629 11.233 1.00 0.00 C ATOM 1159 O SER A 73 -5.444 -13.749 10.998 1.00 0.00 O ATOM 1160 CB SER A 73 -3.142 -15.781 10.630 1.00 0.00 C ATOM 1161 OG SER A 73 -1.988 -16.334 10.011 1.00 0.00 O ATOM 0 H SER A 73 -1.108 -14.332 10.762 1.00 0.00 H new ATOM 0 HA SER A 73 -3.463 -14.123 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.110 -15.954 11.706 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.040 -16.271 10.255 1.00 0.00 H new ATOM 0 HG SER A 73 -1.946 -17.295 10.196 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.838 -12.939 12.257 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.818 -12.279 13.165 1.00 0.00 C ATOM 1169 C GLU A 74 -5.331 -10.994 12.512 1.00 0.00 C ATOM 1170 O GLU A 74 -6.505 -10.687 12.561 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.134 -11.940 14.490 1.00 0.00 C ATOM 1172 CG GLU A 74 -5.193 -11.590 15.538 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.939 -12.859 15.952 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -5.289 -13.878 16.119 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -7.150 -12.791 16.095 1.00 0.00 O ATOM 0 H GLU A 74 -2.858 -12.804 12.504 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.655 -12.952 13.350 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.537 -12.786 14.830 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.451 -11.102 14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.722 -11.132 16.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.893 -10.859 15.133 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.458 -10.239 11.903 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.894 -8.973 11.250 1.00 0.00 C ATOM 1184 C ARG A 75 -5.721 -9.300 10.005 1.00 0.00 C ATOM 1185 O ARG A 75 -6.807 -8.790 9.819 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.661 -8.154 10.846 1.00 0.00 C ATOM 1187 CG ARG A 75 -2.781 -7.875 12.076 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.329 -6.679 12.866 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.433 -5.491 11.972 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.660 -4.310 12.478 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.798 -4.170 13.768 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.752 -3.271 11.695 1.00 0.00 N ATOM 0 H ARG A 75 -3.462 -10.444 11.830 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.501 -8.395 11.947 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.087 -8.695 10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.973 -7.213 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.749 -8.757 12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.758 -7.672 11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.308 -6.922 13.279 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.674 -6.456 13.708 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.327 -5.601 10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.728 -4.983 14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.975 -3.247 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.646 -3.381 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.929 -2.348 12.091 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.218 -10.149 9.150 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.979 -10.506 7.920 1.00 0.00 C ATOM 1208 C TRP A 76 -7.356 -11.048 8.311 1.00 0.00 C ATOM 1209 O TRP A 76 -8.355 -10.728 7.699 1.00 0.00 O ATOM 1210 CB TRP A 76 -5.207 -11.575 7.139 1.00 0.00 C ATOM 1211 CG TRP A 76 -6.031 -12.051 5.983 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -6.501 -13.310 5.833 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -6.486 -11.303 4.818 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -7.218 -13.383 4.652 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -7.236 -12.172 3.991 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -6.323 -9.969 4.402 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -7.805 -11.733 2.794 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.894 -9.524 3.198 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -7.634 -10.405 2.396 1.00 0.00 C ATOM 0 H TRP A 76 -4.314 -10.610 9.251 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.104 -9.621 7.297 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.263 -11.166 6.780 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.964 -12.412 7.793 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -6.342 -14.126 6.523 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -7.677 -14.228 4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.755 -9.282 5.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -8.374 -12.416 2.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.762 -8.498 2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -8.071 -10.057 1.472 1.00 0.00 H new ATOM 1230 N THR A 77 -7.417 -11.868 9.324 1.00 0.00 N ATOM 1231 CA THR A 77 -8.729 -12.430 9.748 1.00 0.00 C ATOM 1232 C THR A 77 -9.507 -11.377 10.539 1.00 0.00 C ATOM 1233 O THR A 77 -10.722 -11.366 10.545 1.00 0.00 O ATOM 1234 CB THR A 77 -8.488 -13.659 10.626 1.00 0.00 C ATOM 1235 OG1 THR A 77 -7.703 -13.289 11.751 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.754 -14.730 9.818 1.00 0.00 C ATOM 0 H THR A 77 -6.615 -12.173 9.876 1.00 0.00 H new ATOM 0 HA THR A 77 -9.307 -12.716 8.869 1.00 0.00 H new ATOM 0 HB THR A 77 -9.444 -14.056 10.966 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.830 -13.731 11.700 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.583 -15.605 10.445 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.358 -15.013 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.797 -14.336 9.476 1.00 0.00 H new ATOM 1244 N ASN A 78 -8.820 -10.489 11.204 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.521 -9.434 11.992 1.00 0.00 C ATOM 1246 C ASN A 78 -9.854 -8.258 11.074 1.00 0.00 C ATOM 1247 O ASN A 78 -10.663 -7.411 11.400 1.00 0.00 O ATOM 1248 CB ASN A 78 -8.611 -8.955 13.125 1.00 0.00 C ATOM 1249 CG ASN A 78 -9.349 -7.911 13.966 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -8.789 -6.893 14.322 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -10.592 -8.122 14.301 1.00 0.00 N ATOM 0 H ASN A 78 -7.801 -10.448 11.236 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.440 -9.841 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.316 -9.798 13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.696 -8.527 12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.093 -7.433 14.861 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.063 -8.976 14.003 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.235 -8.198 9.924 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.510 -7.077 8.978 1.00 0.00 C ATOM 1260 C ALA A 79 -10.663 -7.465 8.051 1.00 0.00 C ATOM 1261 O ALA A 79 -11.740 -6.906 8.115 1.00 0.00 O ATOM 1262 CB ALA A 79 -8.259 -6.801 8.142 1.00 0.00 C ATOM 0 H ALA A 79 -8.549 -8.879 9.599 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.779 -6.183 9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.457 -5.982 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.434 -6.528 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.993 -7.696 7.579 1.00 0.00 H new ATOM 1268 N ASP A 80 -10.447 -8.422 7.189 1.00 0.00 N ATOM 1269 CA ASP A 80 -11.530 -8.846 6.258 1.00 0.00 C ATOM 1270 C ASP A 80 -12.809 -9.116 7.052 1.00 0.00 C ATOM 1271 O ASP A 80 -13.899 -9.102 6.515 1.00 0.00 O ATOM 1272 CB ASP A 80 -11.104 -10.121 5.528 1.00 0.00 C ATOM 1273 CG ASP A 80 -12.099 -10.426 4.407 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -12.374 -9.529 3.627 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -12.569 -11.550 4.348 1.00 0.00 O ATOM 0 H ASP A 80 -9.567 -8.928 7.090 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.714 -8.055 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.102 -9.999 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.061 -10.956 6.227 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.688 -9.360 8.328 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.898 -9.630 9.154 1.00 0.00 C ATOM 1282 C LYS A 81 -13.558 -9.444 10.635 1.00 0.00 C ATOM 1283 O LYS A 81 -14.111 -8.542 11.239 1.00 0.00 O ATOM 1284 CB LYS A 81 -14.368 -11.067 8.915 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.786 -11.240 9.463 1.00 0.00 C ATOM 1286 CD LYS A 81 -16.302 -12.637 9.115 1.00 0.00 C ATOM 1287 CE LYS A 81 -17.790 -12.732 9.455 1.00 0.00 C ATOM 1288 NZ LYS A 81 -18.547 -11.722 8.663 1.00 0.00 N ATOM 0 H LYS A 81 -11.803 -9.384 8.834 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.691 -8.937 8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.349 -11.294 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.691 -11.768 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.789 -11.099 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.445 -10.482 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.147 -12.840 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.743 -13.391 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.161 -13.733 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.942 -12.562 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.519 -12.059 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.572 -10.821 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.080 -11.580 7.745 1.00 0.00 H new TER 1302 LYS A 81