USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 385 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 27 ASN : amide:sc= 0.713 K(o=4.1,f=0.75!) USER MOD Set 1.2: A 34 CYS SG : rot 109:sc= 1.37 USER MOD Set 1.3: A 60 CYS SG : rot -106:sc= 1.99 USER MOD Set 2.1: A 13 CYS SG : rot 81:sc= 0.262 USER MOD Set 2.2: A 42 CYS SG : rot 1:sc= 0.952 USER MOD Set 3.1: A 39 CYS SG : rot 25:sc= -4.22! USER MOD Set 3.2: A 48 THR OG1 : rot 60:sc= 1.2 USER MOD Set 3.3: A 51 CYS SG : rot -161:sc= -0.362 USER MOD Set 4.1: A 25 CYS SG : rot -36:sc= 1.08 USER MOD Set 4.2: A 38 CYS SG : rot 14:sc= 1.12 USER MOD Set 5.1: A 15 TYR OH : rot -114:sc= 0.674 USER MOD Set 5.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-8.3!) USER MOD Single : A 10 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.34) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.004) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 19 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.0085) USER MOD Single : A 26 THR OG1 : rot -11:sc= -0.0714 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.28 K(o=1.3,f=-2.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.31) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0973 K(o=-0.097,f=-1.4) USER MOD Single : A 58 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.34) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -8.108 0.768 8.638 1.00 0.00 N ATOM 16 CA ASP A 2 -8.409 1.047 7.239 1.00 0.00 C ATOM 17 C ASP A 2 -7.341 2.017 6.712 1.00 0.00 C ATOM 18 O ASP A 2 -6.801 2.795 7.496 1.00 0.00 O ATOM 19 CB ASP A 2 -9.769 1.745 7.142 1.00 0.00 C ATOM 20 CG ASP A 2 -10.966 0.825 7.388 1.00 0.00 C ATOM 21 OD1 ASP A 2 -11.413 0.133 6.438 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.470 0.778 8.533 1.00 0.00 O ATOM 0 HA ASP A 2 -8.423 0.120 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.798 2.561 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.866 2.191 6.152 1.00 0.00 H new ATOM 27 N PRO A 3 -7.059 2.058 5.400 1.00 0.00 N ATOM 28 CA PRO A 3 -6.126 3.023 4.814 1.00 0.00 C ATOM 29 C PRO A 3 -6.637 4.465 4.876 1.00 0.00 C ATOM 30 O PRO A 3 -5.844 5.402 4.787 1.00 0.00 O ATOM 31 CB PRO A 3 -5.942 2.574 3.368 1.00 0.00 C ATOM 32 CG PRO A 3 -7.223 1.807 3.044 1.00 0.00 C ATOM 33 CD PRO A 3 -7.663 1.221 4.381 1.00 0.00 C ATOM 0 HA PRO A 3 -5.190 3.036 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.809 3.426 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.061 1.942 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.986 2.465 2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.042 1.024 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.749 1.221 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.335 0.186 4.481 1.00 0.00 H new ATOM 41 N GLU A 4 -7.948 4.626 5.050 1.00 0.00 N ATOM 42 CA GLU A 4 -8.703 5.869 5.058 1.00 0.00 C ATOM 43 C GLU A 4 -8.093 6.913 5.998 1.00 0.00 C ATOM 44 O GLU A 4 -8.203 8.111 5.736 1.00 0.00 O ATOM 45 CB GLU A 4 -10.120 5.494 5.524 1.00 0.00 C ATOM 46 CG GLU A 4 -11.155 6.632 5.556 1.00 0.00 C ATOM 47 CD GLU A 4 -12.167 6.594 4.409 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.910 7.215 3.350 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.287 6.058 4.590 1.00 0.00 O ATOM 0 H GLU A 4 -8.556 3.821 5.201 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.699 6.322 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.497 4.708 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.049 5.069 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.694 6.591 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.629 7.587 5.530 1.00 0.00 H new ATOM 56 N GLU A 5 -7.477 6.483 7.102 1.00 0.00 N ATOM 57 CA GLU A 5 -7.067 7.325 8.216 1.00 0.00 C ATOM 58 C GLU A 5 -5.569 7.173 8.527 1.00 0.00 C ATOM 59 O GLU A 5 -5.109 7.541 9.608 1.00 0.00 O ATOM 60 CB GLU A 5 -8.044 7.060 9.377 1.00 0.00 C ATOM 61 CG GLU A 5 -7.842 5.771 10.155 1.00 0.00 C ATOM 62 CD GLU A 5 -8.797 5.553 11.328 1.00 0.00 C ATOM 63 OE1 GLU A 5 -8.481 5.987 12.464 1.00 0.00 O ATOM 64 OE2 GLU A 5 -9.817 4.847 11.154 1.00 0.00 O ATOM 0 H GLU A 5 -7.244 5.500 7.245 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.140 8.386 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.977 7.894 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.058 7.061 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.943 4.932 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.820 5.752 10.533 1.00 0.00 H new ATOM 71 N HIS A 6 -4.802 6.610 7.584 1.00 0.00 N ATOM 72 CA HIS A 6 -3.422 6.181 7.801 1.00 0.00 C ATOM 73 C HIS A 6 -2.446 6.666 6.720 1.00 0.00 C ATOM 74 O HIS A 6 -1.422 6.032 6.443 1.00 0.00 O ATOM 75 CB HIS A 6 -3.405 4.666 8.037 1.00 0.00 C ATOM 76 CG HIS A 6 -3.875 4.312 9.422 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.084 4.352 10.539 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.165 4.165 9.838 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.871 4.243 11.617 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.152 4.134 11.241 1.00 0.00 N ATOM 0 H HIS A 6 -5.133 6.439 6.634 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.040 6.667 8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.042 4.176 7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.394 4.286 7.888 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.069 4.448 10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.036 4.087 9.205 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.524 4.243 12.640 1.00 0.00 H new ATOM 88 N PHE A 7 -2.774 7.778 6.067 1.00 0.00 N ATOM 89 CA PHE A 7 -1.962 8.375 5.025 1.00 0.00 C ATOM 90 C PHE A 7 -0.865 9.232 5.673 1.00 0.00 C ATOM 91 O PHE A 7 -1.151 10.312 6.195 1.00 0.00 O ATOM 92 CB PHE A 7 -2.897 9.183 4.112 1.00 0.00 C ATOM 93 CG PHE A 7 -2.378 9.616 2.753 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.098 9.278 2.269 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.247 10.349 1.925 1.00 0.00 C ATOM 96 CE1 PHE A 7 -0.699 9.669 0.986 1.00 0.00 C ATOM 97 CE2 PHE A 7 -2.846 10.767 0.647 1.00 0.00 C ATOM 98 CZ PHE A 7 -1.554 10.445 0.196 1.00 0.00 C ATOM 0 H PHE A 7 -3.632 8.296 6.256 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.456 7.626 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.798 8.591 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.198 10.079 4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.421 8.713 2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.238 10.594 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.267 9.372 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.521 11.329 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.219 10.799 -0.768 1.00 0.00 H new ATOM 108 N ASP A 8 0.390 8.782 5.640 1.00 0.00 N ATOM 109 CA ASP A 8 1.561 9.605 5.950 1.00 0.00 C ATOM 110 C ASP A 8 2.655 9.198 4.954 1.00 0.00 C ATOM 111 O ASP A 8 3.406 8.251 5.207 1.00 0.00 O ATOM 112 CB ASP A 8 2.001 9.521 7.436 1.00 0.00 C ATOM 113 CG ASP A 8 1.854 10.849 8.203 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.459 11.892 7.631 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.048 10.868 9.438 1.00 0.00 O ATOM 0 H ASP A 8 0.626 7.821 5.393 1.00 0.00 H new ATOM 0 HA ASP A 8 1.325 10.663 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.410 8.755 7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.042 9.200 7.480 1.00 0.00 H new ATOM 120 N PRO A 9 2.673 9.800 3.752 1.00 0.00 N ATOM 121 CA PRO A 9 3.625 9.467 2.705 1.00 0.00 C ATOM 122 C PRO A 9 4.994 10.065 3.005 1.00 0.00 C ATOM 123 O PRO A 9 5.123 11.251 3.327 1.00 0.00 O ATOM 124 CB PRO A 9 3.056 10.062 1.421 1.00 0.00 C ATOM 125 CG PRO A 9 2.206 11.230 1.903 1.00 0.00 C ATOM 126 CD PRO A 9 1.788 10.871 3.324 1.00 0.00 C ATOM 0 HA PRO A 9 3.763 8.389 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.848 10.395 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.459 9.333 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.772 12.161 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.336 11.373 1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.874 11.734 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.747 10.550 3.354 1.00 0.00 H new ATOM 134 N ASN A 10 6.033 9.268 2.771 1.00 0.00 N ATOM 135 CA ASN A 10 7.368 9.804 2.567 1.00 0.00 C ATOM 136 C ASN A 10 7.362 10.543 1.230 1.00 0.00 C ATOM 137 O ASN A 10 6.431 10.444 0.426 1.00 0.00 O ATOM 138 CB ASN A 10 8.452 8.709 2.563 1.00 0.00 C ATOM 139 CG ASN A 10 8.371 7.749 3.743 1.00 0.00 C ATOM 140 OD1 ASN A 10 7.845 8.077 4.804 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.884 6.546 3.578 1.00 0.00 N ATOM 0 H ASN A 10 5.973 8.251 2.719 1.00 0.00 H new ATOM 0 HA ASN A 10 7.614 10.471 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.373 8.138 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.433 9.184 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.849 5.868 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.316 6.293 2.689 1.00 0.00 H new ATOM 148 N THR A 11 8.467 11.198 0.906 1.00 0.00 N ATOM 149 CA THR A 11 8.697 11.840 -0.385 1.00 0.00 C ATOM 150 C THR A 11 9.010 10.817 -1.497 1.00 0.00 C ATOM 151 O THR A 11 9.525 11.172 -2.561 1.00 0.00 O ATOM 152 CB THR A 11 9.753 12.929 -0.179 1.00 0.00 C ATOM 153 OG1 THR A 11 10.840 12.449 0.594 1.00 0.00 O ATOM 154 CG2 THR A 11 9.151 14.128 0.568 1.00 0.00 C ATOM 0 H THR A 11 9.251 11.302 1.550 1.00 0.00 H new ATOM 0 HA THR A 11 7.791 12.322 -0.752 1.00 0.00 H new ATOM 0 HB THR A 11 10.100 13.226 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.500 13.164 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.916 14.892 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.326 14.541 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.784 13.803 1.541 1.00 0.00 H new ATOM 162 N ASN A 12 8.728 9.532 -1.254 1.00 0.00 N ATOM 163 CA ASN A 12 8.828 8.439 -2.214 1.00 0.00 C ATOM 164 C ASN A 12 7.498 8.223 -2.936 1.00 0.00 C ATOM 165 O ASN A 12 7.513 7.810 -4.099 1.00 0.00 O ATOM 166 CB ASN A 12 9.219 7.139 -1.501 1.00 0.00 C ATOM 167 CG ASN A 12 10.617 7.164 -0.898 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.367 8.126 -1.061 1.00 0.00 O ATOM 169 ND2 ASN A 12 11.005 6.141 -0.157 1.00 0.00 N ATOM 0 H ASN A 12 8.409 9.216 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 12 9.593 8.707 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.496 6.938 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.154 6.313 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.927 6.148 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.383 5.344 -0.022 1.00 0.00 H new ATOM 176 N CYS A 13 6.377 8.480 -2.253 1.00 0.00 N ATOM 177 CA CYS A 13 5.013 8.381 -2.762 1.00 0.00 C ATOM 178 C CYS A 13 4.770 9.345 -3.940 1.00 0.00 C ATOM 179 O CYS A 13 5.659 10.083 -4.372 1.00 0.00 O ATOM 180 CB CYS A 13 4.066 8.599 -1.565 1.00 0.00 C ATOM 181 SG CYS A 13 2.266 8.514 -1.830 1.00 0.00 S ATOM 0 H CYS A 13 6.403 8.778 -1.278 1.00 0.00 H new ATOM 0 HA CYS A 13 4.821 7.396 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.321 7.860 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.290 9.579 -1.144 1.00 0.00 H new ATOM 0 HG CYS A 13 1.890 7.270 -1.857 1.00 0.00 H new ATOM 186 N ASP A 14 3.554 9.309 -4.491 1.00 0.00 N ATOM 187 CA ASP A 14 3.079 10.162 -5.577 1.00 0.00 C ATOM 188 C ASP A 14 1.618 10.514 -5.321 1.00 0.00 C ATOM 189 O ASP A 14 1.298 11.670 -5.037 1.00 0.00 O ATOM 190 CB ASP A 14 3.211 9.457 -6.937 1.00 0.00 C ATOM 191 CG ASP A 14 4.643 9.305 -7.432 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.384 10.307 -7.536 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.008 8.186 -7.861 1.00 0.00 O ATOM 0 H ASP A 14 2.841 8.651 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 14 3.688 11.065 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.758 8.468 -6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.641 10.016 -7.679 1.00 0.00 H new ATOM 198 N TYR A 15 0.742 9.506 -5.401 1.00 0.00 N ATOM 199 CA TYR A 15 -0.709 9.615 -5.305 1.00 0.00 C ATOM 200 C TYR A 15 -1.147 10.321 -4.028 1.00 0.00 C ATOM 201 O TYR A 15 -0.491 10.223 -2.987 1.00 0.00 O ATOM 202 CB TYR A 15 -1.331 8.214 -5.404 1.00 0.00 C ATOM 203 CG TYR A 15 -1.062 7.551 -6.739 1.00 0.00 C ATOM 204 CD1 TYR A 15 -1.836 7.916 -7.853 1.00 0.00 C ATOM 205 CD2 TYR A 15 -0.017 6.618 -6.884 1.00 0.00 C ATOM 206 CE1 TYR A 15 -1.528 7.414 -9.129 1.00 0.00 C ATOM 207 CE2 TYR A 15 0.271 6.080 -8.152 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.471 6.490 -9.284 1.00 0.00 C ATOM 209 OH TYR A 15 -0.201 5.946 -10.504 1.00 0.00 O ATOM 0 H TYR A 15 1.048 8.543 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.063 10.228 -6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.935 7.587 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.407 8.286 -5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.673 8.587 -7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.562 6.316 -6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.098 7.734 -9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.061 5.352 -8.261 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.383 4.983 -10.481 1.00 0.00 H new ATOM 219 N THR A 16 -2.304 10.974 -4.105 1.00 0.00 N ATOM 220 CA THR A 16 -2.893 11.792 -3.055 1.00 0.00 C ATOM 221 C THR A 16 -4.294 11.307 -2.671 1.00 0.00 C ATOM 222 O THR A 16 -5.107 12.081 -2.166 1.00 0.00 O ATOM 223 CB THR A 16 -2.797 13.287 -3.418 1.00 0.00 C ATOM 224 OG1 THR A 16 -3.226 13.614 -4.730 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.357 13.773 -3.246 1.00 0.00 C ATOM 0 H THR A 16 -2.883 10.944 -4.944 1.00 0.00 H new ATOM 0 HA THR A 16 -2.313 11.674 -2.140 1.00 0.00 H new ATOM 0 HB THR A 16 -3.482 13.787 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.133 14.579 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.297 14.830 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.047 13.634 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.699 13.201 -3.901 1.00 0.00 H new ATOM 233 N ASN A 17 -4.593 10.021 -2.877 1.00 0.00 N ATOM 234 CA ASN A 17 -5.821 9.408 -2.380 1.00 0.00 C ATOM 235 C ASN A 17 -5.554 7.966 -2.002 1.00 0.00 C ATOM 236 O ASN A 17 -5.051 7.195 -2.820 1.00 0.00 O ATOM 237 CB ASN A 17 -7.031 9.464 -3.337 1.00 0.00 C ATOM 238 CG ASN A 17 -6.813 10.221 -4.624 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.408 11.267 -4.879 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.938 9.678 -5.440 1.00 0.00 N ATOM 0 H ASN A 17 -3.990 9.380 -3.392 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.105 10.010 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.324 8.443 -3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.869 9.918 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.726 10.126 -6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.471 8.809 -5.182 1.00 0.00 H new ATOM 247 N SER A 18 -5.976 7.605 -0.792 1.00 0.00 N ATOM 248 CA SER A 18 -5.746 6.312 -0.163 1.00 0.00 C ATOM 249 C SER A 18 -6.031 5.132 -1.101 1.00 0.00 C ATOM 250 O SER A 18 -5.158 4.287 -1.249 1.00 0.00 O ATOM 251 CB SER A 18 -6.507 6.222 1.176 1.00 0.00 C ATOM 252 OG SER A 18 -7.730 6.945 1.151 1.00 0.00 O ATOM 0 H SER A 18 -6.512 8.238 -0.198 1.00 0.00 H new ATOM 0 HA SER A 18 -4.682 6.235 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.710 5.176 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.876 6.608 1.977 1.00 0.00 H new ATOM 0 HG SER A 18 -8.179 6.859 2.018 1.00 0.00 H new ATOM 258 N GLN A 19 -7.201 5.057 -1.750 1.00 0.00 N ATOM 259 CA GLN A 19 -7.611 3.854 -2.497 1.00 0.00 C ATOM 260 C GLN A 19 -6.676 3.581 -3.698 1.00 0.00 C ATOM 261 O GLN A 19 -6.426 2.427 -4.035 1.00 0.00 O ATOM 262 CB GLN A 19 -9.095 3.988 -2.913 1.00 0.00 C ATOM 263 CG GLN A 19 -9.915 2.685 -2.921 1.00 0.00 C ATOM 264 CD GLN A 19 -9.660 1.799 -4.137 1.00 0.00 C ATOM 265 OE1 GLN A 19 -9.816 2.227 -5.285 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.340 0.539 -3.914 1.00 0.00 N ATOM 0 H GLN A 19 -7.883 5.815 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.519 2.982 -1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.579 4.694 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.134 4.424 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.687 2.119 -2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.975 2.935 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.216 0.206 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.217 -0.102 -4.698 1.00 0.00 H new ATOM 275 N ASP A 20 -6.132 4.634 -4.315 1.00 0.00 N ATOM 276 CA ASP A 20 -5.218 4.603 -5.460 1.00 0.00 C ATOM 277 C ASP A 20 -3.862 4.094 -4.997 1.00 0.00 C ATOM 278 O ASP A 20 -3.431 3.036 -5.451 1.00 0.00 O ATOM 279 CB ASP A 20 -5.111 6.020 -6.068 1.00 0.00 C ATOM 280 CG ASP A 20 -6.347 6.461 -6.844 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.352 6.851 -6.206 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.266 6.541 -8.091 1.00 0.00 O ATOM 0 H ASP A 20 -6.330 5.587 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.594 3.931 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.925 6.734 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.247 6.054 -6.732 1.00 0.00 H new ATOM 287 N ALA A 21 -3.191 4.786 -4.068 1.00 0.00 N ATOM 288 CA ALA A 21 -1.915 4.305 -3.538 1.00 0.00 C ATOM 289 C ALA A 21 -2.048 2.877 -3.004 1.00 0.00 C ATOM 290 O ALA A 21 -1.175 2.052 -3.258 1.00 0.00 O ATOM 291 CB ALA A 21 -1.414 5.233 -2.434 1.00 0.00 C ATOM 0 H ALA A 21 -3.508 5.671 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.191 4.301 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.464 4.862 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.275 6.236 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.145 5.265 -1.626 1.00 0.00 H new ATOM 297 N TRP A 22 -3.145 2.577 -2.302 1.00 0.00 N ATOM 298 CA TRP A 22 -3.461 1.257 -1.788 1.00 0.00 C ATOM 299 C TRP A 22 -3.434 0.239 -2.924 1.00 0.00 C ATOM 300 O TRP A 22 -2.558 -0.614 -2.919 1.00 0.00 O ATOM 301 CB TRP A 22 -4.810 1.288 -1.062 1.00 0.00 C ATOM 302 CG TRP A 22 -5.326 -0.007 -0.528 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.119 -0.875 -1.193 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.159 -0.559 0.808 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.462 -1.920 -0.359 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.939 -1.748 0.905 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.453 -0.155 1.958 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.028 -2.481 2.098 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.618 -0.828 3.182 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.394 -1.994 3.249 1.00 0.00 C ATOM 0 H TRP A 22 -3.854 3.273 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.710 0.951 -1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.731 1.989 -0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.554 1.691 -1.749 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.436 -0.768 -2.220 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.030 -2.718 -0.642 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.775 0.684 1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.579 -3.410 2.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.145 -0.445 4.074 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.503 -2.517 4.188 1.00 0.00 H new ATOM 321 N ASP A 23 -4.336 0.316 -3.906 1.00 0.00 N ATOM 322 CA ASP A 23 -4.482 -0.723 -4.939 1.00 0.00 C ATOM 323 C ASP A 23 -3.169 -1.035 -5.650 1.00 0.00 C ATOM 324 O ASP A 23 -2.869 -2.178 -6.013 1.00 0.00 O ATOM 325 CB ASP A 23 -5.522 -0.298 -5.980 1.00 0.00 C ATOM 326 CG ASP A 23 -6.954 -0.688 -5.618 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.188 -1.366 -4.590 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.858 -0.328 -6.407 1.00 0.00 O ATOM 0 H ASP A 23 -4.985 1.096 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.808 -1.626 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.472 0.783 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.265 -0.746 -6.940 1.00 0.00 H new ATOM 333 N TYR A 24 -2.362 -0.003 -5.846 1.00 0.00 N ATOM 334 CA TYR A 24 -1.048 -0.149 -6.417 1.00 0.00 C ATOM 335 C TYR A 24 -0.140 -0.928 -5.445 1.00 0.00 C ATOM 336 O TYR A 24 0.365 -1.994 -5.812 1.00 0.00 O ATOM 337 CB TYR A 24 -0.562 1.246 -6.807 1.00 0.00 C ATOM 338 CG TYR A 24 -1.172 1.784 -8.101 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.561 2.038 -8.245 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.304 2.081 -9.169 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.049 2.635 -9.422 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.787 2.696 -10.334 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.155 3.018 -10.447 1.00 0.00 C ATOM 344 OH TYR A 24 -2.579 3.795 -11.478 1.00 0.00 O ATOM 0 H TYR A 24 -2.608 0.958 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.042 -0.749 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.790 1.938 -5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.523 1.224 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.243 1.773 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.744 1.833 -9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.109 2.801 -9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.110 2.923 -11.145 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.832 3.962 -12.090 1.00 0.00 H new ATOM 354 N CYS A 25 0.010 -0.460 -4.201 1.00 0.00 N ATOM 355 CA CYS A 25 0.790 -1.109 -3.143 1.00 0.00 C ATOM 356 C CYS A 25 0.377 -2.569 -2.884 1.00 0.00 C ATOM 357 O CYS A 25 1.232 -3.402 -2.571 1.00 0.00 O ATOM 358 CB CYS A 25 0.660 -0.318 -1.831 1.00 0.00 C ATOM 359 SG CYS A 25 1.462 1.305 -1.777 1.00 0.00 S ATOM 0 H CYS A 25 -0.423 0.411 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 25 1.822 -1.119 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.401 -0.181 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.069 -0.927 -1.025 1.00 0.00 H new ATOM 0 HG CYS A 25 2.573 1.262 -2.450 1.00 0.00 H new ATOM 364 N THR A 26 -0.911 -2.900 -2.993 1.00 0.00 N ATOM 365 CA THR A 26 -1.491 -4.219 -2.720 1.00 0.00 C ATOM 366 C THR A 26 -1.314 -5.177 -3.918 1.00 0.00 C ATOM 367 O THR A 26 -1.699 -6.350 -3.863 1.00 0.00 O ATOM 368 CB THR A 26 -2.934 -4.024 -2.230 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.752 -3.518 -3.260 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.978 -3.114 -0.997 1.00 0.00 C ATOM 0 H THR A 26 -1.614 -2.223 -3.289 1.00 0.00 H new ATOM 0 HA THR A 26 -0.955 -4.726 -1.917 1.00 0.00 H new ATOM 0 HB THR A 26 -3.324 -5.000 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.193 -3.240 -4.015 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.011 -2.993 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.394 -3.562 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.560 -2.139 -1.249 1.00 0.00 H new ATOM 378 N ASN A 27 -0.698 -4.701 -5.011 1.00 0.00 N ATOM 379 CA ASN A 27 -0.561 -5.378 -6.303 1.00 0.00 C ATOM 380 C ASN A 27 -1.913 -5.764 -6.910 1.00 0.00 C ATOM 381 O ASN A 27 -1.975 -6.589 -7.819 1.00 0.00 O ATOM 382 CB ASN A 27 0.390 -6.587 -6.232 1.00 0.00 C ATOM 383 CG ASN A 27 0.903 -6.945 -7.624 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.578 -6.140 -8.251 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.621 -8.122 -8.157 1.00 0.00 N ATOM 0 H ASN A 27 -0.258 -3.781 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.107 -4.650 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.230 -6.359 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.130 -7.441 -5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.966 -8.356 -9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.059 -8.796 -7.637 1.00 0.00 H new ATOM 392 N TYR A 28 -3.003 -5.158 -6.436 1.00 0.00 N ATOM 393 CA TYR A 28 -4.269 -5.153 -7.146 1.00 0.00 C ATOM 394 C TYR A 28 -4.034 -4.563 -8.544 1.00 0.00 C ATOM 395 O TYR A 28 -4.581 -5.055 -9.528 1.00 0.00 O ATOM 396 CB TYR A 28 -5.256 -4.330 -6.312 1.00 0.00 C ATOM 397 CG TYR A 28 -6.711 -4.405 -6.703 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.499 -5.490 -6.288 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.307 -3.322 -7.367 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.888 -5.482 -6.511 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.687 -3.300 -7.598 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.490 -4.377 -7.160 1.00 0.00 C ATOM 403 OH TYR A 28 -10.837 -4.339 -7.352 1.00 0.00 O ATOM 0 H TYR A 28 -3.026 -4.658 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.684 -6.152 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.168 -4.646 -5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.947 -3.286 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.038 -6.333 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.695 -2.498 -7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.493 -6.316 -6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.137 -2.462 -8.110 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.079 -3.508 -7.812 1.00 0.00 H new ATOM 413 N ILE A 29 -3.141 -3.574 -8.648 1.00 0.00 N ATOM 414 CA ILE A 29 -2.747 -2.903 -9.875 1.00 0.00 C ATOM 415 C ILE A 29 -1.244 -3.133 -10.050 1.00 0.00 C ATOM 416 O ILE A 29 -0.433 -2.632 -9.270 1.00 0.00 O ATOM 417 CB ILE A 29 -3.192 -1.429 -9.787 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.733 -1.336 -9.702 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.655 -0.589 -10.950 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.518 -1.728 -10.962 1.00 0.00 C ATOM 0 H ILE A 29 -2.652 -3.206 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.228 -3.294 -10.771 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.764 -1.013 -8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.067 -1.971 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.998 -0.312 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.996 0.441 -10.843 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.565 -0.613 -10.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.021 -0.996 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.586 -1.620 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.228 -1.079 -11.788 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.298 -2.764 -11.220 1.00 0.00 H new ATOM 432 N VAL A 30 -0.882 -3.963 -11.028 1.00 0.00 N ATOM 433 CA VAL A 30 0.474 -4.435 -11.286 1.00 0.00 C ATOM 434 C VAL A 30 1.357 -3.313 -11.849 1.00 0.00 C ATOM 435 O VAL A 30 1.288 -2.965 -13.029 1.00 0.00 O ATOM 436 CB VAL A 30 0.471 -5.693 -12.184 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.584 -6.933 -11.294 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.755 -5.856 -13.096 1.00 0.00 C ATOM 0 H VAL A 30 -1.559 -4.341 -11.691 1.00 0.00 H new ATOM 0 HA VAL A 30 0.914 -4.732 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 30 1.322 -5.572 -12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.583 -7.828 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.512 -6.888 -10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.262 -6.967 -10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.654 -6.770 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.657 -5.913 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.825 -5.001 -13.768 1.00 0.00 H new ATOM 448 N ASN A 31 2.211 -2.762 -10.993 1.00 0.00 N ATOM 449 CA ASN A 31 3.101 -1.614 -11.203 1.00 0.00 C ATOM 450 C ASN A 31 4.537 -1.884 -10.717 1.00 0.00 C ATOM 451 O ASN A 31 5.425 -1.061 -10.924 1.00 0.00 O ATOM 452 CB ASN A 31 2.529 -0.379 -10.490 1.00 0.00 C ATOM 453 CG ASN A 31 2.631 -0.495 -8.975 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.665 -0.217 -8.384 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.588 -0.944 -8.297 1.00 0.00 N ATOM 0 H ASN A 31 2.311 -3.137 -10.050 1.00 0.00 H new ATOM 0 HA ASN A 31 3.155 -1.435 -12.277 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.064 0.511 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.485 -0.248 -10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.648 -1.057 -7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.724 -1.177 -8.786 1.00 0.00 H new ATOM 462 N SER A 32 4.785 -3.040 -10.095 1.00 0.00 N ATOM 463 CA SER A 32 6.091 -3.541 -9.678 1.00 0.00 C ATOM 464 C SER A 32 6.785 -2.743 -8.565 1.00 0.00 C ATOM 465 O SER A 32 7.957 -3.015 -8.298 1.00 0.00 O ATOM 466 CB SER A 32 7.020 -3.741 -10.884 1.00 0.00 C ATOM 467 OG SER A 32 6.499 -4.667 -11.820 1.00 0.00 O ATOM 0 H SER A 32 4.033 -3.687 -9.857 1.00 0.00 H new ATOM 0 HA SER A 32 5.877 -4.507 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.182 -2.783 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.993 -4.089 -10.536 1.00 0.00 H new ATOM 0 HG SER A 32 7.123 -4.760 -12.570 1.00 0.00 H new ATOM 473 N SER A 33 6.132 -1.796 -7.890 1.00 0.00 N ATOM 474 CA SER A 33 6.697 -1.156 -6.695 1.00 0.00 C ATOM 475 C SER A 33 6.115 -1.746 -5.398 1.00 0.00 C ATOM 476 O SER A 33 6.609 -1.428 -4.320 1.00 0.00 O ATOM 477 CB SER A 33 6.496 0.362 -6.789 1.00 0.00 C ATOM 478 OG SER A 33 7.032 0.853 -8.009 1.00 0.00 O ATOM 0 H SER A 33 5.207 -1.452 -8.150 1.00 0.00 H new ATOM 0 HA SER A 33 7.767 -1.360 -6.656 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.434 0.600 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.982 0.853 -5.946 1.00 0.00 H new ATOM 0 HG SER A 33 6.897 1.822 -8.059 1.00 0.00 H new ATOM 484 N CYS A 34 5.096 -2.608 -5.494 1.00 0.00 N ATOM 485 CA CYS A 34 4.245 -3.140 -4.426 1.00 0.00 C ATOM 486 C CYS A 34 4.966 -3.992 -3.369 1.00 0.00 C ATOM 487 O CYS A 34 6.066 -4.504 -3.599 1.00 0.00 O ATOM 488 CB CYS A 34 3.179 -4.001 -5.103 1.00 0.00 C ATOM 489 SG CYS A 34 3.889 -5.296 -6.153 1.00 0.00 S ATOM 0 H CYS A 34 4.823 -2.984 -6.402 1.00 0.00 H new ATOM 0 HA CYS A 34 3.846 -2.286 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.551 -4.461 -4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.532 -3.364 -5.706 1.00 0.00 H new ATOM 0 HG CYS A 34 3.704 -6.456 -5.596 1.00 0.00 H new ATOM 494 N GLY A 35 4.313 -4.208 -2.221 1.00 0.00 N ATOM 495 CA GLY A 35 4.865 -4.870 -1.044 1.00 0.00 C ATOM 496 C GLY A 35 4.797 -3.971 0.194 1.00 0.00 C ATOM 497 O GLY A 35 4.108 -2.944 0.187 1.00 0.00 O ATOM 0 H GLY A 35 3.346 -3.912 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.317 -5.793 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.901 -5.149 -1.235 1.00 0.00 H new ATOM 501 N GLU A 36 5.461 -4.377 1.284 1.00 0.00 N ATOM 502 CA GLU A 36 5.481 -3.632 2.534 1.00 0.00 C ATOM 503 C GLU A 36 6.156 -2.282 2.317 1.00 0.00 C ATOM 504 O GLU A 36 5.690 -1.282 2.858 1.00 0.00 O ATOM 505 CB GLU A 36 6.144 -4.401 3.700 1.00 0.00 C ATOM 506 CG GLU A 36 7.677 -4.324 3.903 1.00 0.00 C ATOM 507 CD GLU A 36 8.097 -4.888 5.273 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.805 -4.260 6.321 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.652 -6.009 5.352 1.00 0.00 O ATOM 0 H GLU A 36 6.002 -5.241 1.316 1.00 0.00 H new ATOM 0 HA GLU A 36 4.444 -3.482 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.677 -4.057 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.884 -5.453 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.178 -4.881 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.004 -3.287 3.820 1.00 0.00 H new ATOM 516 N ILE A 37 7.240 -2.268 1.531 1.00 0.00 N ATOM 517 CA ILE A 37 8.121 -1.134 1.321 1.00 0.00 C ATOM 518 C ILE A 37 7.299 0.026 0.766 1.00 0.00 C ATOM 519 O ILE A 37 7.362 1.126 1.310 1.00 0.00 O ATOM 520 CB ILE A 37 9.295 -1.551 0.414 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.024 -2.774 1.020 1.00 0.00 C ATOM 522 CG2 ILE A 37 10.289 -0.409 0.154 1.00 0.00 C ATOM 523 CD1 ILE A 37 9.761 -4.054 0.216 1.00 0.00 C ATOM 0 H ILE A 37 7.532 -3.091 1.004 1.00 0.00 H new ATOM 0 HA ILE A 37 8.566 -0.796 2.257 1.00 0.00 H new ATOM 0 HB ILE A 37 8.870 -1.818 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.096 -2.579 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.696 -2.918 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.092 -0.766 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.773 0.419 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.708 -0.069 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.291 -4.888 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.692 -4.265 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.113 -3.920 -0.807 1.00 0.00 H new ATOM 535 N CYS A 38 6.489 -0.220 -0.265 1.00 0.00 N ATOM 536 CA CYS A 38 5.658 0.807 -0.874 1.00 0.00 C ATOM 537 C CYS A 38 4.627 1.341 0.109 1.00 0.00 C ATOM 538 O CYS A 38 4.409 2.547 0.185 1.00 0.00 O ATOM 539 CB CYS A 38 4.935 0.237 -2.094 1.00 0.00 C ATOM 540 SG CYS A 38 4.590 1.445 -3.390 1.00 0.00 S ATOM 0 H CYS A 38 6.394 -1.139 -0.698 1.00 0.00 H new ATOM 0 HA CYS A 38 6.311 1.627 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.538 -0.567 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.994 -0.207 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 38 5.284 2.523 -3.174 1.00 0.00 H new ATOM 545 N CYS A 39 4.000 0.458 0.894 1.00 0.00 N ATOM 546 CA CYS A 39 3.092 0.934 1.922 1.00 0.00 C ATOM 547 C CYS A 39 3.844 1.797 2.930 1.00 0.00 C ATOM 548 O CYS A 39 3.374 2.868 3.281 1.00 0.00 O ATOM 549 CB CYS A 39 2.370 -0.207 2.620 1.00 0.00 C ATOM 550 SG CYS A 39 0.869 0.479 3.328 1.00 0.00 S ATOM 0 H CYS A 39 4.104 -0.555 0.836 1.00 0.00 H new ATOM 0 HA CYS A 39 2.330 1.541 1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.135 -1.004 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.998 -0.644 3.396 1.00 0.00 H new ATOM 0 HG CYS A 39 0.526 1.545 2.668 1.00 0.00 H new ATOM 555 N ASN A 40 5.041 1.380 3.335 1.00 0.00 N ATOM 556 CA ASN A 40 5.904 2.157 4.211 1.00 0.00 C ATOM 557 C ASN A 40 6.260 3.519 3.593 1.00 0.00 C ATOM 558 O ASN A 40 6.641 4.427 4.334 1.00 0.00 O ATOM 559 CB ASN A 40 7.197 1.372 4.510 1.00 0.00 C ATOM 560 CG ASN A 40 7.220 0.787 5.904 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.147 1.005 6.677 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.207 0.031 6.280 1.00 0.00 N ATOM 0 H ASN A 40 5.440 0.483 3.059 1.00 0.00 H new ATOM 0 HA ASN A 40 5.359 2.337 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.305 0.568 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.055 2.033 4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.193 -0.374 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.438 -0.148 5.635 1.00 0.00 H new ATOM 569 N ASP A 41 6.192 3.648 2.265 1.00 0.00 N ATOM 570 CA ASP A 41 6.475 4.837 1.466 1.00 0.00 C ATOM 571 C ASP A 41 5.257 5.755 1.296 1.00 0.00 C ATOM 572 O ASP A 41 5.449 6.971 1.229 1.00 0.00 O ATOM 573 CB ASP A 41 7.209 4.447 0.156 1.00 0.00 C ATOM 574 CG ASP A 41 6.537 4.644 -1.209 1.00 0.00 C ATOM 575 OD1 ASP A 41 6.062 5.751 -1.512 1.00 0.00 O ATOM 576 OD2 ASP A 41 6.705 3.765 -2.086 1.00 0.00 O ATOM 0 H ASP A 41 5.916 2.861 1.678 1.00 0.00 H new ATOM 0 HA ASP A 41 7.171 5.469 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.145 5.004 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.468 3.391 0.236 1.00 0.00 H new ATOM 581 N CYS A 42 4.024 5.229 1.361 1.00 0.00 N ATOM 582 CA CYS A 42 2.792 6.005 1.174 1.00 0.00 C ATOM 583 C CYS A 42 1.875 6.098 2.403 1.00 0.00 C ATOM 584 O CYS A 42 0.914 6.861 2.357 1.00 0.00 O ATOM 585 CB CYS A 42 1.944 5.421 0.037 1.00 0.00 C ATOM 586 SG CYS A 42 2.762 5.105 -1.550 1.00 0.00 S ATOM 0 H CYS A 42 3.854 4.241 1.547 1.00 0.00 H new ATOM 0 HA CYS A 42 3.159 7.008 0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.516 4.481 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.112 6.102 -0.144 1.00 0.00 H new ATOM 0 HG CYS A 42 4.020 5.421 -1.460 1.00 0.00 H new ATOM 591 N PHE A 43 2.084 5.316 3.457 1.00 0.00 N ATOM 592 CA PHE A 43 1.165 5.151 4.579 1.00 0.00 C ATOM 593 C PHE A 43 1.979 5.034 5.869 1.00 0.00 C ATOM 594 O PHE A 43 3.161 4.679 5.831 1.00 0.00 O ATOM 595 CB PHE A 43 0.336 3.868 4.374 1.00 0.00 C ATOM 596 CG PHE A 43 -0.700 3.906 3.261 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.991 4.405 3.515 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.401 3.386 1.986 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.956 4.424 2.494 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.373 3.375 0.971 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.649 3.905 1.223 1.00 0.00 C ATOM 0 H PHE A 43 2.932 4.758 3.557 1.00 0.00 H new ATOM 0 HA PHE A 43 0.494 6.007 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.023 3.045 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.175 3.637 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.241 4.775 4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.585 2.992 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.935 4.838 2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.140 2.961 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.394 3.914 0.441 1.00 0.00 H new ATOM 611 N ASP A 44 1.355 5.266 7.027 1.00 0.00 N ATOM 612 CA ASP A 44 1.993 4.970 8.312 1.00 0.00 C ATOM 613 C ASP A 44 2.109 3.466 8.543 1.00 0.00 C ATOM 614 O ASP A 44 1.534 2.644 7.821 1.00 0.00 O ATOM 615 CB ASP A 44 1.327 5.655 9.516 1.00 0.00 C ATOM 616 CG ASP A 44 -0.097 5.260 9.818 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.303 4.128 10.296 1.00 0.00 O ATOM 618 OD2 ASP A 44 -1.008 6.103 9.746 1.00 0.00 O ATOM 0 H ASP A 44 0.415 5.655 7.101 1.00 0.00 H new ATOM 0 HA ASP A 44 2.994 5.396 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.931 5.452 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.354 6.732 9.352 1.00 0.00 H new ATOM 623 N GLU A 45 2.855 3.098 9.585 1.00 0.00 N ATOM 624 CA GLU A 45 3.094 1.715 9.963 1.00 0.00 C ATOM 625 C GLU A 45 1.791 0.988 10.315 1.00 0.00 C ATOM 626 O GLU A 45 1.680 -0.223 10.088 1.00 0.00 O ATOM 627 CB GLU A 45 4.070 1.673 11.145 1.00 0.00 C ATOM 628 CG GLU A 45 4.732 0.294 11.281 1.00 0.00 C ATOM 629 CD GLU A 45 5.580 0.162 12.548 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.779 0.525 12.517 1.00 0.00 O ATOM 631 OE2 GLU A 45 5.076 -0.373 13.570 1.00 0.00 O ATOM 0 H GLU A 45 3.317 3.770 10.198 1.00 0.00 H new ATOM 0 HA GLU A 45 3.530 1.196 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.838 2.435 11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.539 1.915 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.960 -0.475 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.360 0.111 10.409 1.00 0.00 H new ATOM 638 N THR A 46 0.800 1.706 10.848 1.00 0.00 N ATOM 639 CA THR A 46 -0.450 1.056 11.253 1.00 0.00 C ATOM 640 C THR A 46 -1.290 0.772 10.009 1.00 0.00 C ATOM 641 O THR A 46 -1.736 -0.368 9.840 1.00 0.00 O ATOM 642 CB THR A 46 -1.197 1.876 12.318 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.343 2.042 13.434 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.492 1.209 12.789 1.00 0.00 C ATOM 0 H THR A 46 0.834 2.713 11.007 1.00 0.00 H new ATOM 0 HA THR A 46 -0.229 0.103 11.733 1.00 0.00 H new ATOM 0 HB THR A 46 -1.470 2.830 11.866 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.803 2.565 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.972 1.836 13.540 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.164 1.079 11.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.263 0.235 13.222 1.00 0.00 H new ATOM 652 N GLY A 47 -1.431 1.752 9.110 1.00 0.00 N ATOM 653 CA GLY A 47 -1.956 1.571 7.759 1.00 0.00 C ATOM 654 C GLY A 47 -1.281 0.382 7.083 1.00 0.00 C ATOM 655 O GLY A 47 -1.940 -0.476 6.484 1.00 0.00 O ATOM 0 H GLY A 47 -1.175 2.719 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.034 1.412 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.789 2.474 7.173 1.00 0.00 H new ATOM 659 N THR A 48 0.045 0.313 7.217 1.00 0.00 N ATOM 660 CA THR A 48 0.843 -0.726 6.615 1.00 0.00 C ATOM 661 C THR A 48 0.376 -2.114 7.042 1.00 0.00 C ATOM 662 O THR A 48 0.094 -2.906 6.150 1.00 0.00 O ATOM 663 CB THR A 48 2.347 -0.449 6.775 1.00 0.00 C ATOM 664 OG1 THR A 48 2.693 0.790 6.196 1.00 0.00 O ATOM 665 CG2 THR A 48 3.166 -1.507 6.032 1.00 0.00 C ATOM 0 H THR A 48 0.588 0.989 7.754 1.00 0.00 H new ATOM 0 HA THR A 48 0.684 -0.714 5.537 1.00 0.00 H new ATOM 0 HB THR A 48 2.558 -0.456 7.844 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.194 1.508 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.229 -1.297 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.942 -2.493 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.912 -1.486 4.972 1.00 0.00 H new ATOM 673 N GLY A 49 0.190 -2.432 8.324 1.00 0.00 N ATOM 674 CA GLY A 49 -0.169 -3.798 8.722 1.00 0.00 C ATOM 675 C GLY A 49 -1.503 -4.307 8.143 1.00 0.00 C ATOM 676 O GLY A 49 -1.774 -5.510 8.180 1.00 0.00 O ATOM 0 H GLY A 49 0.280 -1.773 9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.628 -4.474 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.220 -3.844 9.810 1.00 0.00 H new ATOM 680 N ALA A 50 -2.349 -3.430 7.591 1.00 0.00 N ATOM 681 CA ALA A 50 -3.514 -3.795 6.786 1.00 0.00 C ATOM 682 C ALA A 50 -3.136 -3.981 5.322 1.00 0.00 C ATOM 683 O ALA A 50 -3.414 -5.035 4.749 1.00 0.00 O ATOM 684 CB ALA A 50 -4.570 -2.698 6.929 1.00 0.00 C ATOM 0 H ALA A 50 -2.237 -2.422 7.696 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.912 -4.745 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.446 -2.956 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.858 -2.604 7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.160 -1.751 6.579 1.00 0.00 H new ATOM 690 N CYS A 51 -2.495 -2.981 4.717 1.00 0.00 N ATOM 691 CA CYS A 51 -2.149 -2.971 3.312 1.00 0.00 C ATOM 692 C CYS A 51 -1.254 -4.154 3.013 1.00 0.00 C ATOM 693 O CYS A 51 -1.423 -4.814 1.995 1.00 0.00 O ATOM 694 CB CYS A 51 -1.424 -1.679 2.990 1.00 0.00 C ATOM 695 SG CYS A 51 -1.034 -1.425 1.241 1.00 0.00 S ATOM 0 H CYS A 51 -2.199 -2.139 5.210 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.050 -3.040 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.034 -0.844 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.495 -1.651 3.560 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.099 -0.529 1.131 1.00 0.00 H new ATOM 700 N ARG A 52 -0.341 -4.482 3.933 1.00 0.00 N ATOM 701 CA ARG A 52 0.517 -5.623 3.771 1.00 0.00 C ATOM 702 C ARG A 52 -0.262 -6.906 3.628 1.00 0.00 C ATOM 703 O ARG A 52 0.165 -7.700 2.817 1.00 0.00 O ATOM 704 CB ARG A 52 1.477 -5.853 4.915 1.00 0.00 C ATOM 705 CG ARG A 52 2.549 -4.793 5.059 1.00 0.00 C ATOM 706 CD ARG A 52 3.578 -5.236 6.090 1.00 0.00 C ATOM 707 NE ARG A 52 4.404 -6.353 5.617 1.00 0.00 N ATOM 708 CZ ARG A 52 5.549 -6.738 6.178 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.872 -6.321 7.395 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.384 -7.512 5.496 1.00 0.00 N ATOM 0 H ARG A 52 -0.189 -3.960 4.796 1.00 0.00 H new ATOM 0 HA ARG A 52 1.075 -5.379 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.909 -5.906 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.958 -6.822 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.034 -4.621 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.100 -3.848 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.222 -4.393 6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.066 -5.530 7.006 1.00 0.00 H new ATOM 0 HE ARG A 52 4.078 -6.871 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.242 -5.702 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.750 -6.619 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.147 -7.808 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.263 -7.811 5.919 1.00 0.00 H new ATOM 724 N ALA A 53 -1.336 -7.152 4.380 1.00 0.00 N ATOM 725 CA ALA A 53 -2.134 -8.361 4.162 1.00 0.00 C ATOM 726 C ALA A 53 -2.608 -8.360 2.708 1.00 0.00 C ATOM 727 O ALA A 53 -2.353 -9.289 1.936 1.00 0.00 O ATOM 728 CB ALA A 53 -3.319 -8.418 5.131 1.00 0.00 C ATOM 0 H ALA A 53 -1.669 -6.546 5.130 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.529 -9.247 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.895 -9.325 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.950 -8.423 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.956 -7.547 4.979 1.00 0.00 H new ATOM 734 N GLN A 54 -3.194 -7.233 2.295 1.00 0.00 N ATOM 735 CA GLN A 54 -3.567 -7.019 0.905 1.00 0.00 C ATOM 736 C GLN A 54 -2.376 -7.044 -0.075 1.00 0.00 C ATOM 737 O GLN A 54 -2.609 -7.077 -1.277 1.00 0.00 O ATOM 738 CB GLN A 54 -4.362 -5.712 0.767 1.00 0.00 C ATOM 739 CG GLN A 54 -5.414 -5.757 -0.353 1.00 0.00 C ATOM 740 CD GLN A 54 -6.554 -6.733 -0.028 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.671 -7.217 1.095 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.411 -7.095 -0.969 1.00 0.00 N ATOM 0 H GLN A 54 -3.419 -6.453 2.913 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.195 -7.864 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.857 -5.494 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.670 -4.892 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.823 -4.759 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.937 -6.054 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.332 -6.705 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.151 -7.764 -0.755 1.00 0.00 H new ATOM 751 N ALA A 55 -1.123 -7.084 0.370 1.00 0.00 N ATOM 752 CA ALA A 55 0.066 -7.163 -0.464 1.00 0.00 C ATOM 753 C ALA A 55 0.903 -8.413 -0.153 1.00 0.00 C ATOM 754 O ALA A 55 2.027 -8.502 -0.627 1.00 0.00 O ATOM 755 CB ALA A 55 0.932 -5.908 -0.269 1.00 0.00 C ATOM 0 H ALA A 55 -0.902 -7.061 1.366 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.268 -7.228 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.820 -5.977 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.359 -5.024 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.233 -5.832 0.776 1.00 0.00 H new ATOM 761 N PHE A 56 0.408 -9.353 0.654 1.00 0.00 N ATOM 762 CA PHE A 56 1.149 -10.522 1.107 1.00 0.00 C ATOM 763 C PHE A 56 0.457 -11.730 0.492 1.00 0.00 C ATOM 764 O PHE A 56 0.969 -12.329 -0.448 1.00 0.00 O ATOM 765 CB PHE A 56 1.205 -10.588 2.644 1.00 0.00 C ATOM 766 CG PHE A 56 2.067 -11.710 3.224 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.277 -12.133 2.630 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.647 -12.342 4.407 1.00 0.00 C ATOM 769 CE1 PHE A 56 4.025 -13.182 3.195 1.00 0.00 C ATOM 770 CE2 PHE A 56 2.394 -13.392 4.971 1.00 0.00 C ATOM 771 CZ PHE A 56 3.586 -13.817 4.366 1.00 0.00 C ATOM 0 H PHE A 56 -0.544 -9.317 1.018 1.00 0.00 H new ATOM 0 HA PHE A 56 2.191 -10.484 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.580 -9.635 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.189 -10.701 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.631 -11.646 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.737 -12.017 4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.943 -13.500 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.048 -13.873 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.159 -14.624 4.797 1.00 0.00 H new ATOM 781 N GLY A 57 -0.757 -12.032 0.964 1.00 0.00 N ATOM 782 CA GLY A 57 -1.492 -13.212 0.531 1.00 0.00 C ATOM 783 C GLY A 57 -2.522 -12.934 -0.566 1.00 0.00 C ATOM 784 O GLY A 57 -3.034 -13.881 -1.162 1.00 0.00 O ATOM 0 H GLY A 57 -1.251 -11.465 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.783 -13.957 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.001 -13.647 1.391 1.00 0.00 H new ATOM 788 N ASN A 58 -2.855 -11.660 -0.806 1.00 0.00 N ATOM 789 CA ASN A 58 -3.915 -11.210 -1.714 1.00 0.00 C ATOM 790 C ASN A 58 -3.508 -11.356 -3.186 1.00 0.00 C ATOM 791 O ASN A 58 -3.844 -12.359 -3.806 1.00 0.00 O ATOM 792 CB ASN A 58 -4.273 -9.765 -1.356 1.00 0.00 C ATOM 793 CG ASN A 58 -5.131 -9.065 -2.415 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.197 -9.524 -2.794 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.677 -7.945 -2.948 1.00 0.00 N ATOM 0 H ASN A 58 -2.373 -10.883 -0.354 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.795 -11.842 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.806 -9.756 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.354 -9.197 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.216 -7.469 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.787 -7.556 -2.636 1.00 0.00 H new ATOM 802 N SER A 59 -2.783 -10.386 -3.758 1.00 0.00 N ATOM 803 CA SER A 59 -2.470 -10.342 -5.190 1.00 0.00 C ATOM 804 C SER A 59 -0.980 -10.187 -5.479 1.00 0.00 C ATOM 805 O SER A 59 -0.593 -10.222 -6.648 1.00 0.00 O ATOM 806 CB SER A 59 -3.215 -9.173 -5.850 1.00 0.00 C ATOM 807 OG SER A 59 -4.282 -9.630 -6.661 1.00 0.00 O ATOM 0 H SER A 59 -2.394 -9.603 -3.233 1.00 0.00 H new ATOM 0 HA SER A 59 -2.790 -11.300 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.602 -8.505 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.519 -8.592 -6.455 1.00 0.00 H new ATOM 0 HG SER A 59 -4.737 -8.862 -7.066 1.00 0.00 H new ATOM 813 N CYS A 60 -0.138 -9.975 -4.469 1.00 0.00 N ATOM 814 CA CYS A 60 1.291 -9.819 -4.680 1.00 0.00 C ATOM 815 C CYS A 60 1.960 -11.163 -4.435 1.00 0.00 C ATOM 816 O CYS A 60 1.458 -11.964 -3.646 1.00 0.00 O ATOM 817 CB CYS A 60 1.820 -8.722 -3.765 1.00 0.00 C ATOM 818 SG CYS A 60 3.357 -7.984 -4.332 1.00 0.00 S ATOM 0 H CYS A 60 -0.428 -9.908 -3.493 1.00 0.00 H new ATOM 0 HA CYS A 60 1.513 -9.514 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.065 -7.941 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.972 -9.135 -2.768 1.00 0.00 H new ATOM 0 HG CYS A 60 4.338 -8.396 -3.585 1.00 0.00 H new ATOM 823 N LEU A 61 3.074 -11.417 -5.118 1.00 0.00 N ATOM 824 CA LEU A 61 3.796 -12.675 -4.983 1.00 0.00 C ATOM 825 C LEU A 61 4.524 -12.716 -3.636 1.00 0.00 C ATOM 826 O LEU A 61 4.566 -13.746 -2.966 1.00 0.00 O ATOM 827 CB LEU A 61 4.788 -12.825 -6.153 1.00 0.00 C ATOM 828 CG LEU A 61 4.965 -14.264 -6.666 1.00 0.00 C ATOM 829 CD1 LEU A 61 5.322 -15.255 -5.551 1.00 0.00 C ATOM 830 CD2 LEU A 61 3.721 -14.714 -7.444 1.00 0.00 C ATOM 0 H LEU A 61 3.497 -10.761 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 61 3.094 -13.508 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.452 -12.198 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.760 -12.444 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 61 5.817 -14.260 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.434 -16.253 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.258 -14.953 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.528 -15.264 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.864 -15.734 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.850 -14.676 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.565 -14.052 -8.295 1.00 0.00 H new ATOM 842 N ASN A 62 5.130 -11.595 -3.252 1.00 0.00 N ATOM 843 CA ASN A 62 5.844 -11.382 -2.009 1.00 0.00 C ATOM 844 C ASN A 62 5.596 -9.933 -1.618 1.00 0.00 C ATOM 845 O ASN A 62 5.673 -9.041 -2.469 1.00 0.00 O ATOM 846 CB ASN A 62 7.351 -11.650 -2.167 1.00 0.00 C ATOM 847 CG ASN A 62 8.031 -10.787 -3.224 1.00 0.00 C ATOM 848 OD1 ASN A 62 8.678 -9.789 -2.923 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.918 -11.158 -4.486 1.00 0.00 N ATOM 0 H ASN A 62 5.132 -10.763 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 62 5.491 -12.071 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.841 -11.483 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.497 -12.700 -2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.371 -10.613 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.378 -11.989 -4.727 1.00 0.00 H new ATOM 856 N TRP A 63 5.256 -9.713 -0.352 1.00 0.00 N ATOM 857 CA TRP A 63 5.240 -8.382 0.229 1.00 0.00 C ATOM 858 C TRP A 63 6.676 -7.859 0.357 1.00 0.00 C ATOM 859 O TRP A 63 6.820 -6.650 0.616 1.00 0.00 O ATOM 860 CB TRP A 63 4.538 -8.413 1.599 1.00 0.00 C ATOM 861 CG TRP A 63 5.055 -9.348 2.663 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.112 -10.182 2.589 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.535 -9.546 4.007 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.259 -10.854 3.783 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.374 -10.425 4.738 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.436 -9.021 4.687 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.192 -10.678 6.107 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.248 -9.212 6.067 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.148 -10.022 6.785 1.00 0.00 C ATOM 0 H TRP A 63 4.985 -10.453 0.296 1.00 0.00 H new ATOM 0 HA TRP A 63 4.683 -7.707 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.566 -7.402 2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.490 -8.658 1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.747 -10.305 1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.949 -11.589 3.939 1.00 0.00 H new ATOM 0 HE3 TRP A 63 2.705 -8.449 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.842 -11.364 6.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.419 -8.740 6.573 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.038 -10.140 7.853 1.00 0.00 H new