USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 66 THR OG1 : rot 180:sc= -0.278 USER MOD Set 1.2: A 69 SER OG : rot -68:sc= 1.25 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.9) USER MOD Single : A 23 THR OG1 : rot 88:sc= -3.86! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.122 USER MOD Single : A 40 MET CE :methyl 149:sc= -0.478 (180deg=-2.03!) USER MOD Single : A 41 MET CE :methyl -159:sc= -1.5 (180deg=-2.83!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= -1.6! (180deg=-1.66!) USER MOD Single : A 44 ASN : amide:sc= -9.83! C(o=-9.8!,f=-11!) USER MOD Single : A 46 MET CE :methyl 170:sc= -6.38! (180deg=-6.7!) USER MOD Single : A 52 GLN : amide:sc= -0.23 K(o=-0.23,f=-2!) USER MOD Single : A 64 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-7!) USER MOD Single : A 65 ASN : amide:sc= -5.54! C(o=-5.5!,f=-5.7!) USER MOD Single : A 70 TYR OH : rot 165:sc= -0.162 USER MOD Single : A 78 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-6!) USER MOD Single : A 79 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.17) USER MOD Single : A 81 SER OG : rot 110:sc= -7.01! USER MOD Single : A 83 ASN : amide:sc= -0.682 K(o=-0.68,f=-0.015) USER MOD Single : A 85 SER OG : rot -120:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -4.731 25.755 -8.819 1.00 0.00 N ATOM 16 CA ASP A 4 -3.730 24.910 -9.460 1.00 0.00 C ATOM 17 C ASP A 4 -2.328 25.266 -8.976 1.00 0.00 C ATOM 18 O ASP A 4 -1.487 25.714 -9.754 1.00 0.00 O ATOM 19 CB ASP A 4 -3.808 25.052 -10.980 1.00 0.00 C ATOM 20 CG ASP A 4 -2.924 24.053 -11.700 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.390 23.143 -11.032 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.764 24.182 -12.932 1.00 0.00 O ATOM 0 HA ASP A 4 -3.938 23.875 -9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.841 24.918 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.515 26.063 -11.263 1.00 0.00 H new ATOM 27 N ILE A 5 -2.085 25.064 -7.685 1.00 0.00 N ATOM 28 CA ILE A 5 -0.789 25.364 -7.095 1.00 0.00 C ATOM 29 C ILE A 5 0.139 24.152 -7.166 1.00 0.00 C ATOM 30 O ILE A 5 -0.278 23.063 -7.562 1.00 0.00 O ATOM 31 CB ILE A 5 -0.941 25.839 -5.628 1.00 0.00 C ATOM 32 CG1 ILE A 5 0.027 26.986 -5.347 1.00 0.00 C ATOM 33 CG2 ILE A 5 -0.727 24.698 -4.638 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.077 28.109 -6.354 1.00 0.00 C ATOM 0 H ILE A 5 -2.771 24.693 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.343 26.173 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.963 26.194 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.167 27.381 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.047 26.601 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.842 25.072 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.462 23.914 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.276 24.291 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.636 28.893 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.145 27.726 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.087 28.518 -6.339 1.00 0.00 H new ATOM 46 N ASP A 6 1.395 24.347 -6.780 1.00 0.00 N ATOM 47 CA ASP A 6 2.371 23.265 -6.803 1.00 0.00 C ATOM 48 C ASP A 6 2.286 22.429 -5.533 1.00 0.00 C ATOM 49 O ASP A 6 2.857 22.784 -4.503 1.00 0.00 O ATOM 50 CB ASP A 6 3.787 23.818 -6.960 1.00 0.00 C ATOM 51 CG ASP A 6 4.803 22.724 -7.225 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.511 21.553 -6.903 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.890 23.039 -7.754 1.00 0.00 O ATOM 0 H ASP A 6 1.760 25.240 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 6 2.141 22.629 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.806 24.536 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.066 24.359 -6.056 1.00 0.00 H new ATOM 58 N GLU A 7 1.579 21.309 -5.619 1.00 0.00 N ATOM 59 CA GLU A 7 1.430 20.415 -4.482 1.00 0.00 C ATOM 60 C GLU A 7 2.701 19.604 -4.284 1.00 0.00 C ATOM 61 O GLU A 7 3.004 19.164 -3.176 1.00 0.00 O ATOM 62 CB GLU A 7 0.240 19.476 -4.691 1.00 0.00 C ATOM 63 CG GLU A 7 -1.065 20.192 -5.007 1.00 0.00 C ATOM 64 CD GLU A 7 -1.143 20.664 -6.446 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.442 20.084 -7.301 1.00 0.00 O ATOM 66 OE2 GLU A 7 -1.905 21.615 -6.717 1.00 0.00 O ATOM 0 H GLU A 7 1.101 21.000 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 7 1.248 21.016 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.471 18.788 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.104 18.873 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.900 19.522 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.174 21.049 -4.342 1.00 0.00 H new ATOM 73 N CYS A 8 3.445 19.417 -5.369 1.00 0.00 N ATOM 74 CA CYS A 8 4.691 18.666 -5.320 1.00 0.00 C ATOM 75 C CYS A 8 5.747 19.443 -4.549 1.00 0.00 C ATOM 76 O CYS A 8 6.441 18.890 -3.698 1.00 0.00 O ATOM 77 CB CYS A 8 5.187 18.363 -6.733 1.00 0.00 C ATOM 78 SG CYS A 8 4.111 17.226 -7.665 1.00 0.00 S ATOM 0 H CYS A 8 3.205 19.776 -6.293 1.00 0.00 H new ATOM 0 HA CYS A 8 4.505 17.723 -4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.275 19.299 -7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.187 17.933 -6.672 1.00 0.00 H new ATOM 83 N ARG A 9 5.857 20.733 -4.846 1.00 0.00 N ATOM 84 CA ARG A 9 6.822 21.582 -4.167 1.00 0.00 C ATOM 85 C ARG A 9 6.692 21.417 -2.660 1.00 0.00 C ATOM 86 O ARG A 9 7.684 21.444 -1.932 1.00 0.00 O ATOM 87 CB ARG A 9 6.617 23.048 -4.554 1.00 0.00 C ATOM 88 CG ARG A 9 7.734 23.610 -5.419 1.00 0.00 C ATOM 89 CD ARG A 9 8.222 24.952 -4.896 1.00 0.00 C ATOM 90 NE ARG A 9 7.586 26.072 -5.584 1.00 0.00 N ATOM 91 CZ ARG A 9 8.138 27.275 -5.698 1.00 0.00 C ATOM 92 NH1 ARG A 9 9.331 27.511 -5.170 1.00 0.00 N ATOM 93 NH2 ARG A 9 7.498 28.242 -6.339 1.00 0.00 N ATOM 0 H ARG A 9 5.292 21.209 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 9 7.824 21.281 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.671 23.146 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.535 23.647 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.565 22.905 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.380 23.724 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.018 25.020 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.303 25.018 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 9 6.667 25.922 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.826 26.769 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.754 28.435 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.580 28.063 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.923 29.165 -6.425 1.00 0.00 H new ATOM 107 N ILE A 10 5.459 21.227 -2.197 1.00 0.00 N ATOM 108 CA ILE A 10 5.203 21.038 -0.778 1.00 0.00 C ATOM 109 C ILE A 10 6.249 20.112 -0.175 1.00 0.00 C ATOM 110 O ILE A 10 6.727 20.329 0.938 1.00 0.00 O ATOM 111 CB ILE A 10 3.802 20.441 -0.540 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.729 21.502 -0.790 1.00 0.00 C ATOM 113 CG2 ILE A 10 3.687 19.878 0.870 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.632 22.535 0.310 1.00 0.00 C ATOM 0 H ILE A 10 4.626 21.200 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 10 5.254 22.015 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 10 3.650 19.621 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.941 22.006 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.763 21.010 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.690 19.462 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.431 19.094 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.857 20.674 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.851 23.255 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.389 22.042 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.586 23.054 0.407 1.00 0.00 H new ATOM 126 N SER A 11 6.595 19.075 -0.927 1.00 0.00 N ATOM 127 CA SER A 11 7.580 18.103 -0.483 1.00 0.00 C ATOM 128 C SER A 11 8.112 17.300 -1.666 1.00 0.00 C ATOM 129 O SER A 11 7.389 17.048 -2.630 1.00 0.00 O ATOM 130 CB SER A 11 6.960 17.163 0.550 1.00 0.00 C ATOM 131 OG SER A 11 7.714 17.151 1.749 1.00 0.00 O ATOM 0 H SER A 11 6.205 18.887 -1.851 1.00 0.00 H new ATOM 0 HA SER A 11 8.412 18.638 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.938 17.476 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.906 16.154 0.141 1.00 0.00 H new ATOM 0 HG SER A 11 7.295 16.543 2.393 1.00 0.00 H new ATOM 137 N PRO A 12 9.384 16.881 -1.607 1.00 0.00 N ATOM 138 CA PRO A 12 10.013 16.104 -2.664 1.00 0.00 C ATOM 139 C PRO A 12 9.729 14.618 -2.500 1.00 0.00 C ATOM 140 O PRO A 12 9.892 13.832 -3.434 1.00 0.00 O ATOM 141 CB PRO A 12 11.510 16.380 -2.477 1.00 0.00 C ATOM 142 CG PRO A 12 11.640 17.190 -1.219 1.00 0.00 C ATOM 143 CD PRO A 12 10.317 17.116 -0.510 1.00 0.00 C ATOM 0 HA PRO A 12 9.644 16.375 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.069 15.448 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.914 16.923 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.438 16.798 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.896 18.224 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.294 16.309 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.091 18.039 0.025 1.00 0.00 H new ATOM 151 N ASP A 13 9.297 14.247 -1.301 1.00 0.00 N ATOM 152 CA ASP A 13 8.978 12.860 -0.995 1.00 0.00 C ATOM 153 C ASP A 13 7.481 12.706 -0.771 1.00 0.00 C ATOM 154 O ASP A 13 7.032 11.780 -0.097 1.00 0.00 O ATOM 155 CB ASP A 13 9.745 12.396 0.244 1.00 0.00 C ATOM 156 CG ASP A 13 10.180 13.553 1.122 1.00 0.00 C ATOM 157 OD1 ASP A 13 9.306 14.172 1.766 1.00 0.00 O ATOM 158 OD2 ASP A 13 11.395 13.841 1.166 1.00 0.00 O ATOM 0 H ASP A 13 9.159 14.891 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 13 9.276 12.240 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.117 11.719 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.623 11.829 -0.067 1.00 0.00 H new ATOM 163 N LEU A 14 6.716 13.628 -1.342 1.00 0.00 N ATOM 164 CA LEU A 14 5.264 13.608 -1.209 1.00 0.00 C ATOM 165 C LEU A 14 4.718 12.184 -1.272 1.00 0.00 C ATOM 166 O LEU A 14 3.994 11.744 -0.379 1.00 0.00 O ATOM 167 CB LEU A 14 4.622 14.455 -2.307 1.00 0.00 C ATOM 168 CG LEU A 14 3.714 15.578 -1.808 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.933 16.839 -2.626 1.00 0.00 C ATOM 170 CD2 LEU A 14 2.256 15.147 -1.867 1.00 0.00 C ATOM 0 H LEU A 14 7.077 14.400 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 14 5.014 14.026 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.413 14.891 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.042 13.801 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 14 3.966 15.794 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.279 17.630 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.972 17.156 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.706 16.638 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.622 15.958 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.989 14.906 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.111 14.268 -1.239 1.00 0.00 H new ATOM 182 N CYS A 15 5.066 11.474 -2.337 1.00 0.00 N ATOM 183 CA CYS A 15 4.609 10.101 -2.530 1.00 0.00 C ATOM 184 C CYS A 15 5.400 9.132 -1.657 1.00 0.00 C ATOM 185 O CYS A 15 5.037 7.963 -1.525 1.00 0.00 O ATOM 186 CB CYS A 15 4.738 9.701 -4.002 1.00 0.00 C ATOM 187 SG CYS A 15 4.654 11.099 -5.167 1.00 0.00 S ATOM 0 H CYS A 15 5.665 11.826 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 15 3.561 10.051 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.686 9.181 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.946 8.992 -4.245 1.00 0.00 H new ATOM 192 N GLY A 16 6.478 9.624 -1.063 1.00 0.00 N ATOM 193 CA GLY A 16 7.302 8.792 -0.209 1.00 0.00 C ATOM 194 C GLY A 16 8.153 7.809 -0.991 1.00 0.00 C ATOM 195 O GLY A 16 8.934 7.056 -0.408 1.00 0.00 O ATOM 0 H GLY A 16 6.798 10.588 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.950 9.428 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.663 8.243 0.482 1.00 0.00 H new ATOM 199 N ARG A 17 8.005 7.816 -2.311 1.00 0.00 N ATOM 200 CA ARG A 17 8.770 6.918 -3.171 1.00 0.00 C ATOM 201 C ARG A 17 8.530 7.236 -4.643 1.00 0.00 C ATOM 202 O ARG A 17 9.467 7.277 -5.441 1.00 0.00 O ATOM 203 CB ARG A 17 8.396 5.461 -2.892 1.00 0.00 C ATOM 204 CG ARG A 17 9.076 4.475 -3.827 1.00 0.00 C ATOM 205 CD ARG A 17 10.324 3.881 -3.194 1.00 0.00 C ATOM 206 NE ARG A 17 10.757 2.664 -3.876 1.00 0.00 N ATOM 207 CZ ARG A 17 11.699 1.853 -3.407 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.303 2.128 -2.259 1.00 0.00 N ATOM 209 NH2 ARG A 17 12.039 0.765 -4.084 1.00 0.00 N ATOM 0 H ARG A 17 7.363 8.433 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 17 9.827 7.065 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.660 5.216 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.315 5.348 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.381 3.676 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.342 4.977 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.128 4.616 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.128 3.659 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 17 10.311 2.423 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.045 2.964 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.026 1.504 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.577 0.549 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.763 0.144 -3.722 1.00 0.00 H new ATOM 223 N GLY A 18 7.268 7.455 -4.994 1.00 0.00 N ATOM 224 CA GLY A 18 6.923 7.759 -6.368 1.00 0.00 C ATOM 225 C GLY A 18 7.363 9.147 -6.786 1.00 0.00 C ATOM 226 O GLY A 18 8.342 9.680 -6.266 1.00 0.00 O ATOM 0 H GLY A 18 6.478 7.427 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.384 7.022 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.844 7.670 -6.496 1.00 0.00 H new ATOM 230 N GLN A 19 6.637 9.728 -7.732 1.00 0.00 N ATOM 231 CA GLN A 19 6.952 11.061 -8.229 1.00 0.00 C ATOM 232 C GLN A 19 5.695 11.921 -8.312 1.00 0.00 C ATOM 233 O GLN A 19 4.923 11.817 -9.265 1.00 0.00 O ATOM 234 CB GLN A 19 7.611 10.966 -9.605 1.00 0.00 C ATOM 235 CG GLN A 19 8.609 9.825 -9.720 1.00 0.00 C ATOM 236 CD GLN A 19 10.013 10.307 -10.028 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.687 10.881 -9.173 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.462 10.077 -11.257 1.00 0.00 N ATOM 0 H GLN A 19 5.824 9.296 -8.171 1.00 0.00 H new ATOM 0 HA GLN A 19 7.645 11.531 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.837 10.839 -10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.119 11.906 -9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.619 9.261 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.284 9.140 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.870 9.598 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.399 10.380 -11.523 1.00 0.00 H new ATOM 247 N CYS A 20 5.494 12.769 -7.308 1.00 0.00 N ATOM 248 CA CYS A 20 4.328 13.642 -7.272 1.00 0.00 C ATOM 249 C CYS A 20 4.170 14.405 -8.583 1.00 0.00 C ATOM 250 O CYS A 20 5.144 14.656 -9.291 1.00 0.00 O ATOM 251 CB CYS A 20 4.439 14.632 -6.111 1.00 0.00 C ATOM 252 SG CYS A 20 3.294 16.046 -6.226 1.00 0.00 S ATOM 0 H CYS A 20 6.122 12.869 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 20 3.448 13.015 -7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.252 14.102 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.461 15.009 -6.065 1.00 0.00 H new ATOM 257 N VAL A 21 2.933 14.781 -8.891 1.00 0.00 N ATOM 258 CA VAL A 21 2.637 15.529 -10.107 1.00 0.00 C ATOM 259 C VAL A 21 1.653 16.658 -9.820 1.00 0.00 C ATOM 260 O VAL A 21 0.968 16.651 -8.798 1.00 0.00 O ATOM 261 CB VAL A 21 2.056 14.620 -11.208 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.418 15.450 -12.314 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.139 13.712 -11.773 1.00 0.00 C ATOM 0 H VAL A 21 2.117 14.579 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 21 3.580 15.946 -10.461 1.00 0.00 H new ATOM 0 HB VAL A 21 1.280 13.996 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.015 14.787 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.613 16.055 -11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.169 16.103 -12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.713 13.077 -12.549 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.937 14.320 -12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.544 13.089 -10.976 1.00 0.00 H new ATOM 273 N ASN A 22 1.590 17.626 -10.726 1.00 0.00 N ATOM 274 CA ASN A 22 0.694 18.765 -10.569 1.00 0.00 C ATOM 275 C ASN A 22 -0.618 18.543 -11.316 1.00 0.00 C ATOM 276 O ASN A 22 -0.635 17.958 -12.398 1.00 0.00 O ATOM 277 CB ASN A 22 1.368 20.038 -11.076 1.00 0.00 C ATOM 278 CG ASN A 22 0.774 21.286 -10.458 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.071 22.048 -11.122 1.00 0.00 O ATOM 280 ND2 ASN A 22 1.052 21.500 -9.180 1.00 0.00 N ATOM 0 H ASN A 22 2.150 17.645 -11.579 1.00 0.00 H new ATOM 0 HA ASN A 22 0.470 18.871 -9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.434 19.996 -10.852 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.272 20.091 -12.160 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.679 22.323 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.639 20.841 -8.669 1.00 0.00 H new ATOM 287 N THR A 23 -1.713 19.020 -10.730 1.00 0.00 N ATOM 288 CA THR A 23 -3.028 18.879 -11.343 1.00 0.00 C ATOM 289 C THR A 23 -3.931 20.049 -10.970 1.00 0.00 C ATOM 290 O THR A 23 -3.732 20.695 -9.941 1.00 0.00 O ATOM 291 CB THR A 23 -3.708 17.564 -10.921 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.365 17.733 -9.659 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.692 16.437 -10.821 1.00 0.00 C ATOM 0 H THR A 23 -1.715 19.506 -9.833 1.00 0.00 H new ATOM 0 HA THR A 23 -2.876 18.867 -12.422 1.00 0.00 H new ATOM 0 HB THR A 23 -4.444 17.303 -11.681 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.276 18.063 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.196 15.518 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.215 16.290 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.935 16.694 -10.080 1.00 0.00 H new ATOM 301 N PRO A 24 -4.942 20.334 -11.803 1.00 0.00 N ATOM 302 CA PRO A 24 -5.884 21.428 -11.559 1.00 0.00 C ATOM 303 C PRO A 24 -6.557 21.307 -10.198 1.00 0.00 C ATOM 304 O PRO A 24 -7.426 20.458 -9.998 1.00 0.00 O ATOM 305 CB PRO A 24 -6.919 21.286 -12.686 1.00 0.00 C ATOM 306 CG PRO A 24 -6.703 19.921 -13.254 1.00 0.00 C ATOM 307 CD PRO A 24 -5.250 19.609 -13.041 1.00 0.00 C ATOM 0 HA PRO A 24 -5.386 22.398 -11.552 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.934 21.396 -12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.780 22.054 -13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.337 19.187 -12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.956 19.895 -14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.077 18.538 -12.937 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.636 19.951 -13.874 1.00 0.00 H new ATOM 315 N GLY A 25 -6.143 22.153 -9.261 1.00 0.00 N ATOM 316 CA GLY A 25 -6.713 22.113 -7.928 1.00 0.00 C ATOM 317 C GLY A 25 -6.510 20.766 -7.267 1.00 0.00 C ATOM 318 O GLY A 25 -7.412 20.240 -6.615 1.00 0.00 O ATOM 0 H GLY A 25 -5.425 22.864 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.257 22.891 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.779 22.334 -7.982 1.00 0.00 H new ATOM 322 N ASP A 26 -5.317 20.207 -7.441 1.00 0.00 N ATOM 323 CA ASP A 26 -4.987 18.910 -6.867 1.00 0.00 C ATOM 324 C ASP A 26 -3.599 18.461 -7.312 1.00 0.00 C ATOM 325 O ASP A 26 -2.831 19.243 -7.872 1.00 0.00 O ATOM 326 CB ASP A 26 -6.028 17.869 -7.277 1.00 0.00 C ATOM 327 CG ASP A 26 -6.803 17.328 -6.091 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.361 17.547 -4.944 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.852 16.686 -6.310 1.00 0.00 O ATOM 0 H ASP A 26 -4.561 20.634 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.990 19.007 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.723 18.315 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.532 17.045 -7.790 1.00 0.00 H new ATOM 334 N PHE A 27 -3.282 17.196 -7.057 1.00 0.00 N ATOM 335 CA PHE A 27 -1.984 16.649 -7.428 1.00 0.00 C ATOM 336 C PHE A 27 -1.988 15.125 -7.353 1.00 0.00 C ATOM 337 O PHE A 27 -2.679 14.536 -6.521 1.00 0.00 O ATOM 338 CB PHE A 27 -0.901 17.212 -6.509 1.00 0.00 C ATOM 339 CG PHE A 27 -0.815 16.515 -5.182 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.601 16.926 -4.117 1.00 0.00 C ATOM 341 CD2 PHE A 27 0.053 15.452 -4.999 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.523 16.287 -2.894 1.00 0.00 C ATOM 343 CE2 PHE A 27 0.136 14.810 -3.778 1.00 0.00 C ATOM 344 CZ PHE A 27 -0.653 15.228 -2.725 1.00 0.00 C ATOM 0 H PHE A 27 -3.905 16.533 -6.596 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.774 16.939 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.064 17.139 -7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.094 18.272 -6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.282 17.755 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.672 15.121 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.141 16.615 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.817 13.982 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.590 14.727 -1.770 1.00 0.00 H new ATOM 354 N GLU A 28 -1.205 14.495 -8.222 1.00 0.00 N ATOM 355 CA GLU A 28 -1.111 13.040 -8.250 1.00 0.00 C ATOM 356 C GLU A 28 0.316 12.593 -7.953 1.00 0.00 C ATOM 357 O GLU A 28 1.158 13.402 -7.563 1.00 0.00 O ATOM 358 CB GLU A 28 -1.564 12.499 -9.609 1.00 0.00 C ATOM 359 CG GLU A 28 -0.893 13.174 -10.794 1.00 0.00 C ATOM 360 CD GLU A 28 -1.768 13.183 -12.032 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.880 13.749 -11.968 1.00 0.00 O ATOM 362 OE2 GLU A 28 -1.341 12.625 -13.065 1.00 0.00 O ATOM 0 H GLU A 28 -0.627 14.969 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.769 12.638 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.360 11.429 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.644 12.622 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.638 14.199 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.042 12.661 -11.018 1.00 0.00 H new ATOM 369 N CYS A 29 0.586 11.304 -8.134 1.00 0.00 N ATOM 370 CA CYS A 29 1.918 10.769 -7.874 1.00 0.00 C ATOM 371 C CYS A 29 2.253 9.620 -8.817 1.00 0.00 C ATOM 372 O CYS A 29 1.366 8.942 -9.335 1.00 0.00 O ATOM 373 CB CYS A 29 2.022 10.285 -6.428 1.00 0.00 C ATOM 374 SG CYS A 29 2.674 11.529 -5.268 1.00 0.00 S ATOM 0 H CYS A 29 -0.094 10.615 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 29 2.633 11.574 -8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.034 9.972 -6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.664 9.404 -6.397 1.00 0.00 H new ATOM 379 N LYS A 30 3.548 9.401 -9.017 1.00 0.00 N ATOM 380 CA LYS A 30 4.026 8.328 -9.879 1.00 0.00 C ATOM 381 C LYS A 30 4.754 7.278 -9.048 1.00 0.00 C ATOM 382 O LYS A 30 5.979 7.169 -9.096 1.00 0.00 O ATOM 383 CB LYS A 30 4.960 8.886 -10.953 1.00 0.00 C ATOM 384 CG LYS A 30 5.004 8.048 -12.221 1.00 0.00 C ATOM 385 CD LYS A 30 5.058 6.561 -11.909 1.00 0.00 C ATOM 386 CE LYS A 30 3.670 5.994 -11.658 1.00 0.00 C ATOM 387 NZ LYS A 30 3.383 4.822 -12.531 1.00 0.00 N ATOM 0 H LYS A 30 4.289 9.957 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 30 3.170 7.864 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.643 9.897 -11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.967 8.961 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.125 8.261 -12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.876 8.328 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.524 6.031 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.684 6.394 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.582 5.698 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.924 6.769 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.427 4.465 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.442 5.110 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.079 4.072 -12.345 1.00 0.00 H new ATOM 401 N CYS A 31 3.989 6.521 -8.268 1.00 0.00 N ATOM 402 CA CYS A 31 4.554 5.492 -7.402 1.00 0.00 C ATOM 403 C CYS A 31 5.497 4.567 -8.161 1.00 0.00 C ATOM 404 O CYS A 31 5.794 4.785 -9.336 1.00 0.00 O ATOM 405 CB CYS A 31 3.439 4.674 -6.751 1.00 0.00 C ATOM 406 SG CYS A 31 3.064 5.156 -5.035 1.00 0.00 S ATOM 0 H CYS A 31 2.973 6.601 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 31 5.132 5.999 -6.629 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.534 4.773 -7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.719 3.621 -6.768 1.00 0.00 H new ATOM 411 N ASP A 32 5.975 3.540 -7.465 1.00 0.00 N ATOM 412 CA ASP A 32 6.897 2.577 -8.047 1.00 0.00 C ATOM 413 C ASP A 32 6.577 1.161 -7.580 1.00 0.00 C ATOM 414 O ASP A 32 5.459 0.880 -7.149 1.00 0.00 O ATOM 415 CB ASP A 32 8.328 2.935 -7.652 1.00 0.00 C ATOM 416 CG ASP A 32 9.230 3.135 -8.855 1.00 0.00 C ATOM 417 OD1 ASP A 32 8.873 3.941 -9.738 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.294 2.482 -8.914 1.00 0.00 O ATOM 0 H ASP A 32 5.736 3.355 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 32 6.792 2.613 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.319 3.846 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.737 2.144 -7.023 1.00 0.00 H new ATOM 423 N GLU A 33 7.581 0.288 -7.668 1.00 0.00 N ATOM 424 CA GLU A 33 7.464 -1.113 -7.260 1.00 0.00 C ATOM 425 C GLU A 33 6.014 -1.574 -7.196 1.00 0.00 C ATOM 426 O GLU A 33 5.501 -2.185 -8.133 1.00 0.00 O ATOM 427 CB GLU A 33 8.134 -1.322 -5.901 1.00 0.00 C ATOM 428 CG GLU A 33 9.623 -1.024 -5.906 1.00 0.00 C ATOM 429 CD GLU A 33 10.470 -2.281 -5.883 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.093 -3.238 -5.174 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.509 -2.309 -6.576 1.00 0.00 O ATOM 0 H GLU A 33 8.504 0.534 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 33 7.968 -1.714 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.647 -0.685 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.979 -2.353 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.870 -0.440 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.869 -0.409 -5.041 1.00 0.00 H new ATOM 438 N GLY A 34 5.364 -1.279 -6.079 1.00 0.00 N ATOM 439 CA GLY A 34 3.981 -1.669 -5.901 1.00 0.00 C ATOM 440 C GLY A 34 3.233 -0.748 -4.961 1.00 0.00 C ATOM 441 O GLY A 34 2.221 -1.135 -4.382 1.00 0.00 O ATOM 0 H GLY A 34 5.771 -0.775 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.482 -1.677 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.941 -2.687 -5.514 1.00 0.00 H new ATOM 445 N TYR A 35 3.731 0.475 -4.805 1.00 0.00 N ATOM 446 CA TYR A 35 3.096 1.445 -3.927 1.00 0.00 C ATOM 447 C TYR A 35 1.897 2.096 -4.606 1.00 0.00 C ATOM 448 O TYR A 35 1.974 2.503 -5.766 1.00 0.00 O ATOM 449 CB TYR A 35 4.105 2.511 -3.511 1.00 0.00 C ATOM 450 CG TYR A 35 5.374 1.941 -2.915 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.323 1.082 -1.827 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.620 2.262 -3.440 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.474 0.556 -1.276 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.778 1.738 -2.894 1.00 0.00 C ATOM 455 CZ TYR A 35 7.698 0.887 -1.812 1.00 0.00 C ATOM 456 OH TYR A 35 8.849 0.366 -1.266 1.00 0.00 O ATOM 0 H TYR A 35 4.570 0.815 -5.275 1.00 0.00 H new ATOM 0 HA TYR A 35 2.740 0.921 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.361 3.116 -4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.639 3.177 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.365 0.820 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.685 2.930 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.415 -0.112 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.740 1.994 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 35 9.626 0.698 -1.762 1.00 0.00 H new ATOM 466 N GLU A 36 0.791 2.194 -3.876 1.00 0.00 N ATOM 467 CA GLU A 36 -0.424 2.798 -4.410 1.00 0.00 C ATOM 468 C GLU A 36 -0.569 4.241 -3.934 1.00 0.00 C ATOM 469 O GLU A 36 -0.373 4.540 -2.756 1.00 0.00 O ATOM 470 CB GLU A 36 -1.651 1.978 -3.999 1.00 0.00 C ATOM 471 CG GLU A 36 -2.282 2.427 -2.690 1.00 0.00 C ATOM 472 CD GLU A 36 -3.365 1.481 -2.209 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.020 0.411 -1.665 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.557 1.810 -2.378 1.00 0.00 O ATOM 0 H GLU A 36 0.711 1.863 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.352 2.803 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.398 2.038 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.363 0.930 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.508 2.506 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.706 3.423 -2.818 1.00 0.00 H new ATOM 481 N SER A 37 -0.913 5.128 -4.858 1.00 0.00 N ATOM 482 CA SER A 37 -1.087 6.537 -4.541 1.00 0.00 C ATOM 483 C SER A 37 -2.503 6.815 -4.053 1.00 0.00 C ATOM 484 O SER A 37 -3.390 7.147 -4.841 1.00 0.00 O ATOM 485 CB SER A 37 -0.779 7.399 -5.767 1.00 0.00 C ATOM 486 OG SER A 37 -0.901 6.648 -6.964 1.00 0.00 O ATOM 0 H SER A 37 -1.077 4.894 -5.837 1.00 0.00 H new ATOM 0 HA SER A 37 -0.391 6.792 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.460 8.250 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.231 7.801 -5.688 1.00 0.00 H new ATOM 0 HG SER A 37 -0.701 7.222 -7.732 1.00 0.00 H new ATOM 492 N GLY A 38 -2.710 6.676 -2.749 1.00 0.00 N ATOM 493 CA GLY A 38 -4.021 6.914 -2.176 1.00 0.00 C ATOM 494 C GLY A 38 -4.517 5.734 -1.369 1.00 0.00 C ATOM 495 O GLY A 38 -5.320 4.936 -1.852 1.00 0.00 O ATOM 0 H GLY A 38 -1.992 6.402 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.982 7.797 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.731 7.129 -2.975 1.00 0.00 H new ATOM 499 N PHE A 39 -4.032 5.619 -0.139 1.00 0.00 N ATOM 500 CA PHE A 39 -4.427 4.524 0.736 1.00 0.00 C ATOM 501 C PHE A 39 -5.037 5.046 2.034 1.00 0.00 C ATOM 502 O PHE A 39 -5.486 4.268 2.875 1.00 0.00 O ATOM 503 CB PHE A 39 -3.219 3.636 1.043 1.00 0.00 C ATOM 504 CG PHE A 39 -3.482 2.614 2.112 1.00 0.00 C ATOM 505 CD1 PHE A 39 -4.556 1.746 2.010 1.00 0.00 C ATOM 506 CD2 PHE A 39 -2.652 2.522 3.219 1.00 0.00 C ATOM 507 CE1 PHE A 39 -4.800 0.805 2.992 1.00 0.00 C ATOM 508 CE2 PHE A 39 -2.891 1.583 4.204 1.00 0.00 C ATOM 509 CZ PHE A 39 -3.966 0.723 4.090 1.00 0.00 C ATOM 0 H PHE A 39 -3.365 6.271 0.274 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.185 3.935 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.913 3.125 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.384 4.266 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.211 1.805 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.810 3.192 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.642 0.134 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.238 1.521 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.154 -0.012 4.858 1.00 0.00 H new ATOM 519 N MET A 40 -5.054 6.367 2.190 1.00 0.00 N ATOM 520 CA MET A 40 -5.614 6.987 3.388 1.00 0.00 C ATOM 521 C MET A 40 -5.088 8.407 3.568 1.00 0.00 C ATOM 522 O MET A 40 -5.764 9.261 4.140 1.00 0.00 O ATOM 523 CB MET A 40 -5.285 6.147 4.623 1.00 0.00 C ATOM 524 CG MET A 40 -3.908 5.506 4.573 1.00 0.00 C ATOM 525 SD MET A 40 -2.858 6.007 5.951 1.00 0.00 S ATOM 526 CE MET A 40 -3.980 5.785 7.330 1.00 0.00 C ATOM 0 H MET A 40 -4.688 7.027 1.504 1.00 0.00 H new ATOM 0 HA MET A 40 -6.696 7.036 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.351 6.778 5.509 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.037 5.365 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.016 4.421 4.579 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.421 5.773 3.635 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.413 5.511 8.220 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.518 6.715 7.515 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.693 4.994 7.096 1.00 0.00 H new ATOM 536 N MET A 41 -3.876 8.653 3.079 1.00 0.00 N ATOM 537 CA MET A 41 -3.261 9.971 3.191 1.00 0.00 C ATOM 538 C MET A 41 -3.612 10.841 1.989 1.00 0.00 C ATOM 539 O MET A 41 -3.583 12.066 2.083 1.00 0.00 O ATOM 540 CB MET A 41 -1.742 9.839 3.312 1.00 0.00 C ATOM 541 CG MET A 41 -1.298 8.573 4.027 1.00 0.00 C ATOM 542 SD MET A 41 0.113 8.848 5.116 1.00 0.00 S ATOM 543 CE MET A 41 -0.440 8.018 6.603 1.00 0.00 C ATOM 0 H MET A 41 -3.301 7.958 2.602 1.00 0.00 H new ATOM 0 HA MET A 41 -3.651 10.450 4.089 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.303 9.856 2.314 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.352 10.705 3.847 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.130 8.179 4.610 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.039 7.815 3.288 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.116 8.398 7.460 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.504 8.205 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.270 6.946 6.506 1.00 0.00 H new ATOM 553 N MET A 42 -3.936 10.178 0.871 1.00 0.00 N ATOM 554 CA MET A 42 -4.301 10.826 -0.394 1.00 0.00 C ATOM 555 C MET A 42 -3.396 10.333 -1.510 1.00 0.00 C ATOM 556 O MET A 42 -3.728 10.437 -2.690 1.00 0.00 O ATOM 557 CB MET A 42 -4.233 12.352 -0.312 1.00 0.00 C ATOM 558 CG MET A 42 -5.353 12.959 0.514 1.00 0.00 C ATOM 559 SD MET A 42 -6.511 13.920 -0.482 1.00 0.00 S ATOM 560 CE MET A 42 -7.758 14.319 0.739 1.00 0.00 C ATOM 0 H MET A 42 -3.952 9.159 0.820 1.00 0.00 H new ATOM 0 HA MET A 42 -5.336 10.557 -0.605 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.275 12.644 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.269 12.765 -1.320 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.894 12.163 1.026 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.924 13.600 1.285 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.545 14.913 0.275 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.185 13.399 1.137 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.304 14.889 1.550 1.00 0.00 H new ATOM 570 N LYS A 43 -2.249 9.788 -1.122 1.00 0.00 N ATOM 571 CA LYS A 43 -1.286 9.269 -2.081 1.00 0.00 C ATOM 572 C LYS A 43 -0.257 8.380 -1.392 1.00 0.00 C ATOM 573 O LYS A 43 -0.364 7.156 -1.431 1.00 0.00 O ATOM 574 CB LYS A 43 -0.589 10.417 -2.809 1.00 0.00 C ATOM 575 CG LYS A 43 -0.729 10.346 -4.318 1.00 0.00 C ATOM 576 CD LYS A 43 -2.184 10.430 -4.749 1.00 0.00 C ATOM 577 CE LYS A 43 -2.310 10.574 -6.257 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.461 11.439 -6.639 1.00 0.00 N ATOM 0 H LYS A 43 -1.964 9.695 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.826 8.665 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.000 11.363 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.470 10.413 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.166 11.160 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.295 9.415 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.714 9.535 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.661 11.279 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.389 10.997 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.432 9.589 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.543 11.470 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.337 11.050 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.308 12.401 -6.275 1.00 0.00 H new ATOM 592 N ASN A 44 0.733 9.018 -0.764 1.00 0.00 N ATOM 593 CA ASN A 44 1.805 8.321 -0.051 1.00 0.00 C ATOM 594 C ASN A 44 1.973 6.882 -0.540 1.00 0.00 C ATOM 595 O ASN A 44 1.195 5.994 -0.195 1.00 0.00 O ATOM 596 CB ASN A 44 1.554 8.368 1.466 1.00 0.00 C ATOM 597 CG ASN A 44 0.822 7.150 2.004 1.00 0.00 C ATOM 598 OD1 ASN A 44 1.303 6.480 2.917 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.347 6.857 1.441 1.00 0.00 N ATOM 0 H ASN A 44 0.814 10.034 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 44 2.740 8.838 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.510 8.462 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.976 9.261 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.881 6.050 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.710 7.439 0.686 1.00 0.00 H new ATOM 606 N CYS A 45 2.995 6.655 -1.357 1.00 0.00 N ATOM 607 CA CYS A 45 3.248 5.324 -1.889 1.00 0.00 C ATOM 608 C CYS A 45 2.989 4.271 -0.822 1.00 0.00 C ATOM 609 O CYS A 45 3.853 3.973 0.002 1.00 0.00 O ATOM 610 CB CYS A 45 4.684 5.213 -2.416 1.00 0.00 C ATOM 611 SG CYS A 45 4.881 5.551 -4.203 1.00 0.00 S ATOM 0 H CYS A 45 3.656 7.369 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 45 2.566 5.151 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.314 5.907 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.054 4.209 -2.209 1.00 0.00 H new ATOM 616 N MET A 46 1.780 3.724 -0.841 1.00 0.00 N ATOM 617 CA MET A 46 1.378 2.713 0.126 1.00 0.00 C ATOM 618 C MET A 46 1.003 1.407 -0.567 1.00 0.00 C ATOM 619 O MET A 46 -0.147 1.214 -0.960 1.00 0.00 O ATOM 620 CB MET A 46 0.200 3.227 0.956 1.00 0.00 C ATOM 621 CG MET A 46 0.614 3.857 2.276 1.00 0.00 C ATOM 622 SD MET A 46 0.891 2.634 3.572 1.00 0.00 S ATOM 623 CE MET A 46 1.435 1.229 2.603 1.00 0.00 C ATOM 0 H MET A 46 1.058 3.966 -1.520 1.00 0.00 H new ATOM 0 HA MET A 46 2.223 2.514 0.785 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.353 3.961 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.481 2.400 1.156 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.525 4.436 2.128 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.158 4.555 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.813 0.453 3.268 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.596 0.837 2.028 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.227 1.541 1.922 1.00 0.00 H new ATOM 633 N ASP A 47 1.998 0.529 -0.706 1.00 0.00 N ATOM 634 CA ASP A 47 1.841 -0.778 -1.344 1.00 0.00 C ATOM 635 C ASP A 47 0.396 -1.089 -1.714 1.00 0.00 C ATOM 636 O ASP A 47 -0.495 -1.088 -0.865 1.00 0.00 O ATOM 637 CB ASP A 47 2.384 -1.876 -0.431 1.00 0.00 C ATOM 638 CG ASP A 47 1.447 -2.190 0.720 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.378 -2.786 0.472 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.783 -1.839 1.870 1.00 0.00 O ATOM 0 H ASP A 47 2.946 0.708 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 47 2.411 -0.744 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.552 -2.780 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.352 -1.569 -0.034 1.00 0.00 H new ATOM 645 N ILE A 48 0.185 -1.363 -2.991 1.00 0.00 N ATOM 646 CA ILE A 48 -1.132 -1.693 -3.511 1.00 0.00 C ATOM 647 C ILE A 48 -1.648 -2.983 -2.885 1.00 0.00 C ATOM 648 O ILE A 48 -1.043 -3.514 -1.955 1.00 0.00 O ATOM 649 CB ILE A 48 -1.080 -1.863 -5.037 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.204 -2.597 -5.428 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.159 -0.510 -5.728 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.011 -3.693 -6.448 1.00 0.00 C ATOM 0 H ILE A 48 0.922 -1.363 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.806 -0.874 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.937 -2.455 -5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.918 -1.876 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.653 -3.028 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.121 -0.650 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.094 -0.018 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.319 0.109 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.942 -4.169 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.700 -4.435 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.431 -3.265 -7.358 1.00 0.00 H new ATOM 664 N ASP A 49 -2.763 -3.489 -3.403 1.00 0.00 N ATOM 665 CA ASP A 49 -3.346 -4.722 -2.893 1.00 0.00 C ATOM 666 C ASP A 49 -2.880 -5.922 -3.713 1.00 0.00 C ATOM 667 O ASP A 49 -3.648 -6.487 -4.490 1.00 0.00 O ATOM 668 CB ASP A 49 -4.873 -4.639 -2.918 1.00 0.00 C ATOM 669 CG ASP A 49 -5.528 -5.875 -2.334 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.860 -6.930 -2.276 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.708 -5.790 -1.936 1.00 0.00 O ATOM 0 H ASP A 49 -3.279 -3.064 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.013 -4.853 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.196 -3.761 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.210 -4.504 -3.946 1.00 0.00 H new ATOM 676 N GLU A 50 -1.618 -6.306 -3.537 1.00 0.00 N ATOM 677 CA GLU A 50 -1.058 -7.436 -4.260 1.00 0.00 C ATOM 678 C GLU A 50 -1.954 -8.662 -4.130 1.00 0.00 C ATOM 679 O GLU A 50 -1.896 -9.577 -4.951 1.00 0.00 O ATOM 680 CB GLU A 50 0.336 -7.764 -3.730 1.00 0.00 C ATOM 681 CG GLU A 50 1.422 -6.839 -4.250 1.00 0.00 C ATOM 682 CD GLU A 50 1.586 -5.594 -3.401 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.637 -4.784 -3.346 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.663 -5.429 -2.791 1.00 0.00 O ATOM 0 H GLU A 50 -0.967 -5.849 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.990 -7.162 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.321 -7.716 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.585 -8.790 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.368 -7.379 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.186 -6.547 -5.273 1.00 0.00 H new ATOM 691 N CYS A 51 -2.783 -8.670 -3.094 1.00 0.00 N ATOM 692 CA CYS A 51 -3.694 -9.782 -2.852 1.00 0.00 C ATOM 693 C CYS A 51 -4.906 -9.698 -3.774 1.00 0.00 C ATOM 694 O CYS A 51 -5.712 -10.626 -3.846 1.00 0.00 O ATOM 695 CB CYS A 51 -4.147 -9.789 -1.390 1.00 0.00 C ATOM 696 SG CYS A 51 -5.485 -10.973 -1.032 1.00 0.00 S ATOM 0 H CYS A 51 -2.844 -7.918 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.163 -10.710 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.291 -10.022 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.481 -8.787 -1.119 1.00 0.00 H new ATOM 701 N GLN A 52 -5.026 -8.578 -4.477 1.00 0.00 N ATOM 702 CA GLN A 52 -6.134 -8.361 -5.395 1.00 0.00 C ATOM 703 C GLN A 52 -5.629 -8.222 -6.826 1.00 0.00 C ATOM 704 O GLN A 52 -6.371 -8.433 -7.784 1.00 0.00 O ATOM 705 CB GLN A 52 -6.907 -7.106 -4.992 1.00 0.00 C ATOM 706 CG GLN A 52 -8.065 -7.384 -4.053 1.00 0.00 C ATOM 707 CD GLN A 52 -9.232 -6.440 -4.271 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.421 -5.911 -5.367 1.00 0.00 O ATOM 709 NE2 GLN A 52 -10.023 -6.225 -3.227 1.00 0.00 N ATOM 0 H GLN A 52 -4.365 -7.803 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.798 -9.224 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.222 -6.405 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.287 -6.619 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.402 -8.411 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.721 -7.298 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.829 -6.684 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.825 -5.600 -3.315 1.00 0.00 H new ATOM 718 N ARG A 53 -4.358 -7.861 -6.956 1.00 0.00 N ATOM 719 CA ARG A 53 -3.739 -7.685 -8.264 1.00 0.00 C ATOM 720 C ARG A 53 -3.784 -8.979 -9.073 1.00 0.00 C ATOM 721 O ARG A 53 -3.891 -8.952 -10.299 1.00 0.00 O ATOM 722 CB ARG A 53 -2.292 -7.222 -8.101 1.00 0.00 C ATOM 723 CG ARG A 53 -1.504 -7.218 -9.399 1.00 0.00 C ATOM 724 CD ARG A 53 -0.109 -7.784 -9.199 1.00 0.00 C ATOM 725 NE ARG A 53 0.689 -7.722 -10.420 1.00 0.00 N ATOM 726 CZ ARG A 53 2.017 -7.655 -10.428 1.00 0.00 C ATOM 727 NH1 ARG A 53 2.691 -7.645 -9.286 1.00 0.00 N ATOM 728 NH2 ARG A 53 2.672 -7.598 -11.579 1.00 0.00 N ATOM 0 H ARG A 53 -3.734 -7.684 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.302 -6.925 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.286 -6.217 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.790 -7.871 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.033 -7.805 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.434 -6.200 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.396 -7.230 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.183 -8.819 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 53 0.201 -7.731 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.191 -7.689 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.710 -7.594 -9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.157 -7.605 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.691 -7.547 -11.584 1.00 0.00 H new ATOM 742 N ASP A 54 -3.700 -10.110 -8.379 1.00 0.00 N ATOM 743 CA ASP A 54 -3.727 -11.411 -9.034 1.00 0.00 C ATOM 744 C ASP A 54 -4.957 -12.209 -8.613 1.00 0.00 C ATOM 745 O ASP A 54 -5.324 -12.237 -7.438 1.00 0.00 O ATOM 746 CB ASP A 54 -2.459 -12.199 -8.706 1.00 0.00 C ATOM 747 CG ASP A 54 -1.411 -12.091 -9.796 1.00 0.00 C ATOM 748 OD1 ASP A 54 -0.991 -10.956 -10.105 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.011 -13.141 -10.340 1.00 0.00 O ATOM 0 H ASP A 54 -3.613 -10.151 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.775 -11.244 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.041 -11.835 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.715 -13.248 -8.555 1.00 0.00 H new ATOM 754 N PRO A 55 -5.606 -12.873 -9.579 1.00 0.00 N ATOM 755 CA PRO A 55 -6.797 -13.682 -9.332 1.00 0.00 C ATOM 756 C PRO A 55 -6.449 -15.080 -8.835 1.00 0.00 C ATOM 757 O PRO A 55 -7.330 -15.870 -8.498 1.00 0.00 O ATOM 758 CB PRO A 55 -7.450 -13.745 -10.708 1.00 0.00 C ATOM 759 CG PRO A 55 -6.310 -13.679 -11.669 1.00 0.00 C ATOM 760 CD PRO A 55 -5.219 -12.882 -10.999 1.00 0.00 C ATOM 0 HA PRO A 55 -7.437 -13.261 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.022 -14.664 -10.834 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.142 -12.916 -10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.958 -14.680 -11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.618 -13.205 -12.601 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.242 -13.343 -11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.158 -11.871 -11.402 1.00 0.00 H new ATOM 768 N LEU A 56 -5.153 -15.373 -8.787 1.00 0.00 N ATOM 769 CA LEU A 56 -4.673 -16.668 -8.326 1.00 0.00 C ATOM 770 C LEU A 56 -3.792 -16.497 -7.094 1.00 0.00 C ATOM 771 O LEU A 56 -3.425 -17.473 -6.440 1.00 0.00 O ATOM 772 CB LEU A 56 -3.893 -17.370 -9.436 1.00 0.00 C ATOM 773 CG LEU A 56 -4.692 -18.404 -10.230 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.559 -19.241 -9.303 1.00 0.00 C ATOM 775 CD2 LEU A 56 -5.545 -17.719 -11.287 1.00 0.00 C ATOM 0 H LEU A 56 -4.414 -14.726 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.533 -17.282 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.515 -16.616 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.026 -17.862 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.989 -19.069 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.119 -19.970 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.926 -19.762 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.254 -18.592 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.107 -18.469 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.238 -17.030 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.902 -17.166 -11.972 1.00 0.00 H new ATOM 787 N LEU A 57 -3.459 -15.248 -6.782 1.00 0.00 N ATOM 788 CA LEU A 57 -2.626 -14.947 -5.627 1.00 0.00 C ATOM 789 C LEU A 57 -3.159 -15.648 -4.386 1.00 0.00 C ATOM 790 O LEU A 57 -4.254 -15.346 -3.914 1.00 0.00 O ATOM 791 CB LEU A 57 -2.571 -13.439 -5.393 1.00 0.00 C ATOM 792 CG LEU A 57 -1.285 -12.935 -4.738 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.697 -11.781 -5.534 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.550 -12.514 -3.301 1.00 0.00 C ATOM 0 H LEU A 57 -3.754 -14.429 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.618 -15.311 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.696 -12.933 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.416 -13.152 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.560 -13.749 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.218 -11.436 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.470 -12.116 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.417 -10.963 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.624 -12.158 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.291 -11.715 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.925 -13.367 -2.735 1.00 0.00 H new ATOM 806 N CYS A 58 -2.382 -16.590 -3.867 1.00 0.00 N ATOM 807 CA CYS A 58 -2.792 -17.334 -2.687 1.00 0.00 C ATOM 808 C CYS A 58 -4.196 -17.886 -2.883 1.00 0.00 C ATOM 809 O CYS A 58 -4.912 -18.167 -1.922 1.00 0.00 O ATOM 810 CB CYS A 58 -2.730 -16.435 -1.454 1.00 0.00 C ATOM 811 SG CYS A 58 -1.133 -15.582 -1.261 1.00 0.00 S ATOM 0 H CYS A 58 -1.471 -16.854 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.111 -18.171 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.525 -15.692 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.922 -17.036 -0.565 1.00 0.00 H new ATOM 816 N ARG A 59 -4.576 -18.039 -4.147 1.00 0.00 N ATOM 817 CA ARG A 59 -5.889 -18.559 -4.503 1.00 0.00 C ATOM 818 C ARG A 59 -6.293 -19.691 -3.564 1.00 0.00 C ATOM 819 O ARG A 59 -7.475 -19.884 -3.279 1.00 0.00 O ATOM 820 CB ARG A 59 -5.876 -19.051 -5.952 1.00 0.00 C ATOM 821 CG ARG A 59 -7.259 -19.200 -6.561 1.00 0.00 C ATOM 822 CD ARG A 59 -7.475 -20.598 -7.115 1.00 0.00 C ATOM 823 NE ARG A 59 -8.718 -21.193 -6.633 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.164 -22.383 -7.022 1.00 0.00 C ATOM 825 NH1 ARG A 59 -8.470 -23.101 -7.896 1.00 0.00 N ATOM 826 NH2 ARG A 59 -10.304 -22.857 -6.537 1.00 0.00 N ATOM 0 H ARG A 59 -3.987 -17.808 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.621 -17.757 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.296 -18.354 -6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.365 -20.013 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.015 -18.986 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.388 -18.468 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.491 -20.557 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.636 -21.233 -6.832 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.275 -20.666 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.593 -22.740 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.814 -24.014 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.840 -22.308 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.645 -23.770 -6.837 1.00 0.00 H new ATOM 840 N GLY A 60 -5.301 -20.429 -3.080 1.00 0.00 N ATOM 841 CA GLY A 60 -5.564 -21.529 -2.172 1.00 0.00 C ATOM 842 C GLY A 60 -4.720 -21.443 -0.915 1.00 0.00 C ATOM 843 O GLY A 60 -4.502 -22.445 -0.234 1.00 0.00 O ATOM 0 H GLY A 60 -4.316 -20.284 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.620 -21.530 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.364 -22.473 -2.679 1.00 0.00 H new ATOM 847 N GLY A 61 -4.245 -20.241 -0.614 1.00 0.00 N ATOM 848 CA GLY A 61 -3.422 -20.038 0.564 1.00 0.00 C ATOM 849 C GLY A 61 -3.780 -18.767 1.313 1.00 0.00 C ATOM 850 O GLY A 61 -4.950 -18.526 1.614 1.00 0.00 O ATOM 0 H GLY A 61 -4.415 -19.400 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.532 -20.892 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.374 -19.998 0.268 1.00 0.00 H new ATOM 854 N VAL A 62 -2.773 -17.954 1.615 1.00 0.00 N ATOM 855 CA VAL A 62 -2.983 -16.703 2.333 1.00 0.00 C ATOM 856 C VAL A 62 -2.176 -15.573 1.704 1.00 0.00 C ATOM 857 O VAL A 62 -0.975 -15.709 1.472 1.00 0.00 O ATOM 858 CB VAL A 62 -2.592 -16.835 3.819 1.00 0.00 C ATOM 859 CG1 VAL A 62 -2.453 -15.464 4.469 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.611 -17.683 4.565 1.00 0.00 C ATOM 0 H VAL A 62 -1.800 -18.141 1.372 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.046 -16.471 2.266 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.624 -17.333 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.177 -15.584 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.681 -14.893 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.402 -14.932 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.319 -17.765 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.593 -17.215 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.652 -18.677 4.120 1.00 0.00 H new ATOM 870 N CYS A 63 -2.843 -14.457 1.432 1.00 0.00 N ATOM 871 CA CYS A 63 -2.185 -13.305 0.833 1.00 0.00 C ATOM 872 C CYS A 63 -1.793 -12.286 1.898 1.00 0.00 C ATOM 873 O CYS A 63 -2.606 -11.459 2.310 1.00 0.00 O ATOM 874 CB CYS A 63 -3.098 -12.652 -0.205 1.00 0.00 C ATOM 875 SG CYS A 63 -4.720 -12.135 0.447 1.00 0.00 S ATOM 0 H CYS A 63 -3.838 -14.327 1.617 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.278 -13.653 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.592 -11.781 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.255 -13.352 -1.026 1.00 0.00 H new ATOM 880 N HIS A 64 -0.541 -12.353 2.338 1.00 0.00 N ATOM 881 CA HIS A 64 -0.037 -11.436 3.353 1.00 0.00 C ATOM 882 C HIS A 64 0.528 -10.174 2.708 1.00 0.00 C ATOM 883 O HIS A 64 1.706 -9.854 2.868 1.00 0.00 O ATOM 884 CB HIS A 64 1.043 -12.114 4.196 1.00 0.00 C ATOM 885 CG HIS A 64 0.551 -13.304 4.956 1.00 0.00 C ATOM 886 ND1 HIS A 64 0.910 -14.598 4.642 1.00 0.00 N ATOM 887 CD2 HIS A 64 -0.276 -13.395 6.025 1.00 0.00 C ATOM 888 CE1 HIS A 64 0.325 -15.432 5.482 1.00 0.00 C ATOM 889 NE2 HIS A 64 -0.400 -14.728 6.332 1.00 0.00 N ATOM 0 H HIS A 64 0.143 -13.033 2.007 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.869 -11.157 3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.860 -12.422 3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.452 -11.388 4.899 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.531 -14.869 3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.750 -12.572 6.540 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.423 -16.508 5.475 1.00 0.00 H new ATOM 898 N ASN A 65 -0.326 -9.465 1.979 1.00 0.00 N ATOM 899 CA ASN A 65 0.072 -8.234 1.307 1.00 0.00 C ATOM 900 C ASN A 65 0.916 -7.359 2.230 1.00 0.00 C ATOM 901 O ASN A 65 0.458 -6.940 3.293 1.00 0.00 O ATOM 902 CB ASN A 65 -1.169 -7.468 0.849 1.00 0.00 C ATOM 903 CG ASN A 65 -0.859 -6.040 0.448 1.00 0.00 C ATOM 904 OD1 ASN A 65 -0.211 -5.300 1.190 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.325 -5.646 -0.729 1.00 0.00 N ATOM 0 H ASN A 65 -1.303 -9.723 1.838 1.00 0.00 H new ATOM 0 HA ASN A 65 0.676 -8.495 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.621 -7.988 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.906 -7.464 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.152 -4.695 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.857 -6.294 -1.310 1.00 0.00 H new ATOM 912 N THR A 66 2.147 -7.088 1.815 1.00 0.00 N ATOM 913 CA THR A 66 3.057 -6.264 2.600 1.00 0.00 C ATOM 914 C THR A 66 3.474 -5.018 1.827 1.00 0.00 C ATOM 915 O THR A 66 2.825 -4.632 0.855 1.00 0.00 O ATOM 916 CB THR A 66 4.319 -7.050 3.006 1.00 0.00 C ATOM 917 OG1 THR A 66 5.314 -6.943 1.981 1.00 0.00 O ATOM 918 CG2 THR A 66 3.988 -8.515 3.247 1.00 0.00 C ATOM 0 H THR A 66 2.539 -7.428 0.937 1.00 0.00 H new ATOM 0 HA THR A 66 2.519 -5.967 3.500 1.00 0.00 H new ATOM 0 HB THR A 66 4.705 -6.623 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.113 -7.444 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.894 -9.050 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.252 -8.595 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.581 -8.951 2.335 1.00 0.00 H new ATOM 926 N GLU A 67 4.560 -4.392 2.267 1.00 0.00 N ATOM 927 CA GLU A 67 5.064 -3.187 1.618 1.00 0.00 C ATOM 928 C GLU A 67 5.812 -3.528 0.332 1.00 0.00 C ATOM 929 O GLU A 67 6.517 -4.535 0.262 1.00 0.00 O ATOM 930 CB GLU A 67 5.984 -2.418 2.567 1.00 0.00 C ATOM 931 CG GLU A 67 5.391 -1.109 3.062 1.00 0.00 C ATOM 932 CD GLU A 67 6.426 -0.204 3.699 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.517 -0.042 3.112 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.147 0.344 4.786 1.00 0.00 O ATOM 0 H GLU A 67 5.108 -4.699 3.070 1.00 0.00 H new ATOM 0 HA GLU A 67 4.209 -2.561 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.217 -3.049 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.926 -2.211 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.923 -0.588 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.605 -1.322 3.786 1.00 0.00 H new ATOM 941 N GLY A 68 5.653 -2.680 -0.681 1.00 0.00 N ATOM 942 CA GLY A 68 6.317 -2.902 -1.953 1.00 0.00 C ATOM 943 C GLY A 68 6.450 -4.372 -2.296 1.00 0.00 C ATOM 944 O GLY A 68 7.435 -4.787 -2.906 1.00 0.00 O ATOM 0 H GLY A 68 5.074 -1.841 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.759 -2.398 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.308 -2.449 -1.925 1.00 0.00 H new ATOM 948 N SER A 69 5.456 -5.162 -1.903 1.00 0.00 N ATOM 949 CA SER A 69 5.467 -6.595 -2.173 1.00 0.00 C ATOM 950 C SER A 69 4.307 -7.292 -1.470 1.00 0.00 C ATOM 951 O SER A 69 3.407 -6.642 -0.938 1.00 0.00 O ATOM 952 CB SER A 69 6.793 -7.211 -1.722 1.00 0.00 C ATOM 953 OG SER A 69 7.031 -6.960 -0.348 1.00 0.00 O ATOM 0 H SER A 69 4.633 -4.834 -1.397 1.00 0.00 H new ATOM 0 HA SER A 69 5.355 -6.736 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.778 -8.286 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.609 -6.800 -2.317 1.00 0.00 H new ATOM 0 HG SER A 69 7.188 -6.002 -0.213 1.00 0.00 H new ATOM 959 N TYR A 70 4.336 -8.621 -1.471 1.00 0.00 N ATOM 960 CA TYR A 70 3.290 -9.410 -0.835 1.00 0.00 C ATOM 961 C TYR A 70 3.763 -10.838 -0.590 1.00 0.00 C ATOM 962 O TYR A 70 4.560 -11.378 -1.356 1.00 0.00 O ATOM 963 CB TYR A 70 2.027 -9.404 -1.698 1.00 0.00 C ATOM 964 CG TYR A 70 1.956 -10.531 -2.703 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.484 -11.786 -2.339 1.00 0.00 C ATOM 966 CD2 TYR A 70 2.358 -10.337 -4.018 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.415 -12.815 -3.257 1.00 0.00 C ATOM 968 CE2 TYR A 70 2.291 -11.362 -4.943 1.00 0.00 C ATOM 969 CZ TYR A 70 1.820 -12.599 -4.557 1.00 0.00 C ATOM 970 OH TYR A 70 1.753 -13.623 -5.475 1.00 0.00 O ATOM 0 H TYR A 70 5.074 -9.174 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 70 3.057 -8.960 0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.155 -9.458 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.969 -8.454 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.166 -11.959 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.729 -9.370 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.045 -13.785 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.606 -11.195 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 70 1.841 -13.257 -6.380 1.00 0.00 H new ATOM 980 N ARG A 71 3.268 -11.443 0.484 1.00 0.00 N ATOM 981 CA ARG A 71 3.647 -12.806 0.827 1.00 0.00 C ATOM 982 C ARG A 71 2.484 -13.765 0.613 1.00 0.00 C ATOM 983 O ARG A 71 1.325 -13.403 0.809 1.00 0.00 O ATOM 984 CB ARG A 71 4.118 -12.881 2.282 1.00 0.00 C ATOM 985 CG ARG A 71 4.415 -11.524 2.897 1.00 0.00 C ATOM 986 CD ARG A 71 5.734 -10.961 2.392 1.00 0.00 C ATOM 987 NE ARG A 71 6.777 -11.981 2.336 1.00 0.00 N ATOM 988 CZ ARG A 71 7.846 -11.897 1.551 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.012 -10.844 0.762 1.00 0.00 N ATOM 990 NH2 ARG A 71 8.752 -12.866 1.555 1.00 0.00 N ATOM 0 H ARG A 71 2.606 -11.012 1.129 1.00 0.00 H new ATOM 0 HA ARG A 71 4.466 -13.100 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.354 -13.381 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.015 -13.498 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.608 -10.831 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.449 -11.615 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.590 -10.534 1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.055 -10.149 3.044 1.00 0.00 H new ATOM 0 HE ARG A 71 6.680 -12.803 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.318 -10.096 0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.833 -10.782 0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.629 -13.677 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.572 -12.800 0.952 1.00 0.00 H new ATOM 1004 N CYS A 72 2.801 -14.989 0.214 1.00 0.00 N ATOM 1005 CA CYS A 72 1.783 -16.002 -0.019 1.00 0.00 C ATOM 1006 C CYS A 72 2.007 -17.189 0.914 1.00 0.00 C ATOM 1007 O CYS A 72 3.144 -17.596 1.152 1.00 0.00 O ATOM 1008 CB CYS A 72 1.805 -16.441 -1.486 1.00 0.00 C ATOM 1009 SG CYS A 72 0.171 -16.819 -2.209 1.00 0.00 S ATOM 0 H CYS A 72 3.756 -15.304 0.045 1.00 0.00 H new ATOM 0 HA CYS A 72 0.800 -15.582 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.273 -15.654 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.437 -17.325 -1.575 1.00 0.00 H new ATOM 1014 N GLU A 73 0.919 -17.722 1.466 1.00 0.00 N ATOM 1015 CA GLU A 73 1.008 -18.838 2.402 1.00 0.00 C ATOM 1016 C GLU A 73 0.029 -19.959 2.054 1.00 0.00 C ATOM 1017 O GLU A 73 -1.177 -19.734 1.962 1.00 0.00 O ATOM 1018 CB GLU A 73 0.731 -18.326 3.813 1.00 0.00 C ATOM 1019 CG GLU A 73 1.756 -18.783 4.833 1.00 0.00 C ATOM 1020 CD GLU A 73 3.149 -18.265 4.536 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.695 -18.610 3.467 1.00 0.00 O ATOM 1022 OE2 GLU A 73 3.695 -17.515 5.372 1.00 0.00 O ATOM 0 H GLU A 73 -0.031 -17.400 1.282 1.00 0.00 H new ATOM 0 HA GLU A 73 2.013 -19.255 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.706 -17.236 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.257 -18.663 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.451 -18.446 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.776 -19.873 4.859 1.00 0.00 H new ATOM 1029 N CYS A 74 0.557 -21.166 1.861 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.271 -22.315 1.523 1.00 0.00 C ATOM 1031 C CYS A 74 -1.059 -22.833 2.736 1.00 0.00 C ATOM 1032 O CYS A 74 -2.177 -23.322 2.583 1.00 0.00 O ATOM 1033 CB CYS A 74 0.583 -23.438 0.932 1.00 0.00 C ATOM 1034 SG CYS A 74 0.207 -23.832 -0.809 1.00 0.00 S ATOM 0 H CYS A 74 1.554 -21.371 1.933 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.993 -21.983 0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.634 -23.159 1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.447 -24.337 1.533 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.485 -22.755 3.962 1.00 0.00 N ATOM 1040 CA PRO A 75 0.849 -22.183 4.216 1.00 0.00 C ATOM 1041 C PRO A 75 1.976 -23.066 3.689 1.00 0.00 C ATOM 1042 O PRO A 75 1.729 -24.107 3.080 1.00 0.00 O ATOM 1043 CB PRO A 75 0.922 -22.100 5.755 1.00 0.00 C ATOM 1044 CG PRO A 75 -0.475 -22.327 6.230 1.00 0.00 C ATOM 1045 CD PRO A 75 -1.116 -23.205 5.203 1.00 0.00 C ATOM 0 HA PRO A 75 0.974 -21.224 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.601 -22.852 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.294 -21.128 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.482 -22.803 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.013 -21.384 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.925 -24.261 5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.198 -23.076 5.178 1.00 0.00 H new ATOM 1053 N PRO A 76 3.232 -22.667 3.946 1.00 0.00 N ATOM 1054 CA PRO A 76 4.411 -23.422 3.521 1.00 0.00 C ATOM 1055 C PRO A 76 4.233 -24.930 3.661 1.00 0.00 C ATOM 1056 O PRO A 76 3.235 -25.406 4.201 1.00 0.00 O ATOM 1057 CB PRO A 76 5.493 -22.923 4.474 1.00 0.00 C ATOM 1058 CG PRO A 76 5.106 -21.517 4.783 1.00 0.00 C ATOM 1059 CD PRO A 76 3.601 -21.447 4.687 1.00 0.00 C ATOM 0 HA PRO A 76 4.635 -23.269 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.535 -23.530 5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.479 -22.970 4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.443 -21.234 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.571 -20.825 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.139 -21.425 5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.276 -20.548 4.163 1.00 0.00 H new ATOM 1067 N GLY A 77 5.207 -25.676 3.158 1.00 0.00 N ATOM 1068 CA GLY A 77 5.134 -27.121 3.216 1.00 0.00 C ATOM 1069 C GLY A 77 4.590 -27.681 1.923 1.00 0.00 C ATOM 1070 O GLY A 77 4.800 -28.849 1.595 1.00 0.00 O ATOM 0 H GLY A 77 6.046 -25.306 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.125 -27.533 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.496 -27.425 4.046 1.00 0.00 H new ATOM 1074 N HIS A 78 3.897 -26.823 1.181 1.00 0.00 N ATOM 1075 CA HIS A 78 3.319 -27.195 -0.099 1.00 0.00 C ATOM 1076 C HIS A 78 4.223 -26.709 -1.236 1.00 0.00 C ATOM 1077 O HIS A 78 5.417 -27.010 -1.242 1.00 0.00 O ATOM 1078 CB HIS A 78 1.907 -26.615 -0.217 1.00 0.00 C ATOM 1079 CG HIS A 78 1.042 -27.341 -1.201 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.232 -26.931 -1.530 1.00 0.00 N ATOM 1081 CD2 HIS A 78 1.275 -28.460 -1.928 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.747 -27.766 -2.416 1.00 0.00 C ATOM 1083 NE2 HIS A 78 0.148 -28.702 -2.674 1.00 0.00 N ATOM 0 H HIS A 78 3.723 -25.855 1.451 1.00 0.00 H new ATOM 0 HA HIS A 78 3.244 -28.280 -0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.429 -26.641 0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.977 -25.568 -0.510 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.704 -26.111 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.179 -29.051 -1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.732 -27.695 -2.854 1.00 0.00 H new ATOM 1092 N GLN A 79 3.677 -25.954 -2.191 1.00 0.00 N ATOM 1093 CA GLN A 79 4.481 -25.446 -3.292 1.00 0.00 C ATOM 1094 C GLN A 79 3.894 -24.140 -3.806 1.00 0.00 C ATOM 1095 O GLN A 79 3.426 -24.056 -4.942 1.00 0.00 O ATOM 1096 CB GLN A 79 4.564 -26.482 -4.414 1.00 0.00 C ATOM 1097 CG GLN A 79 5.967 -27.027 -4.633 1.00 0.00 C ATOM 1098 CD GLN A 79 6.531 -26.646 -5.988 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.266 -27.417 -6.606 1.00 0.00 O ATOM 1100 NE2 GLN A 79 6.190 -25.452 -6.455 1.00 0.00 N ATOM 0 H GLN A 79 2.693 -25.686 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 79 5.492 -25.254 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.893 -27.310 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.209 -26.032 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.626 -26.652 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.950 -28.113 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.578 -24.846 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.540 -25.140 -7.361 1.00 0.00 H new ATOM 1109 N LEU A 80 3.909 -23.128 -2.948 1.00 0.00 N ATOM 1110 CA LEU A 80 3.365 -21.823 -3.288 1.00 0.00 C ATOM 1111 C LEU A 80 4.419 -20.938 -3.934 1.00 0.00 C ATOM 1112 O LEU A 80 5.332 -20.450 -3.266 1.00 0.00 O ATOM 1113 CB LEU A 80 2.814 -21.151 -2.032 1.00 0.00 C ATOM 1114 CG LEU A 80 2.286 -19.726 -2.212 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.926 -19.450 -3.664 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.083 -19.502 -1.310 1.00 0.00 C ATOM 0 H LEU A 80 4.295 -23.189 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 80 2.559 -21.965 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.008 -21.769 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.601 -21.133 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 80 3.076 -19.029 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.554 -18.430 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.811 -19.573 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.154 -20.149 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.712 -18.486 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.297 -20.212 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.376 -19.648 -0.270 1.00 0.00 H new ATOM 1128 N SER A 81 4.281 -20.728 -5.235 1.00 0.00 N ATOM 1129 CA SER A 81 5.216 -19.893 -5.970 1.00 0.00 C ATOM 1130 C SER A 81 5.308 -18.511 -5.328 1.00 0.00 C ATOM 1131 O SER A 81 4.299 -17.930 -4.930 1.00 0.00 O ATOM 1132 CB SER A 81 4.782 -19.784 -7.430 1.00 0.00 C ATOM 1133 OG SER A 81 5.735 -19.063 -8.189 1.00 0.00 O ATOM 0 H SER A 81 3.531 -21.124 -5.802 1.00 0.00 H new ATOM 0 HA SER A 81 6.204 -20.351 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.655 -20.781 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.813 -19.288 -7.489 1.00 0.00 H new ATOM 0 HG SER A 81 6.196 -19.674 -8.801 1.00 0.00 H new ATOM 1139 N PRO A 82 6.532 -17.979 -5.198 1.00 0.00 N ATOM 1140 CA PRO A 82 6.771 -16.673 -4.575 1.00 0.00 C ATOM 1141 C PRO A 82 6.442 -15.489 -5.479 1.00 0.00 C ATOM 1142 O PRO A 82 7.147 -15.221 -6.450 1.00 0.00 O ATOM 1143 CB PRO A 82 8.267 -16.709 -4.272 1.00 0.00 C ATOM 1144 CG PRO A 82 8.843 -17.605 -5.314 1.00 0.00 C ATOM 1145 CD PRO A 82 7.782 -18.629 -5.626 1.00 0.00 C ATOM 0 HA PRO A 82 6.132 -16.526 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.705 -15.712 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.459 -17.093 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.112 -17.040 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.753 -18.085 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.762 -18.874 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.954 -19.561 -5.087 1.00 0.00 H new ATOM 1153 N ASN A 83 5.379 -14.767 -5.128 1.00 0.00 N ATOM 1154 CA ASN A 83 4.953 -13.587 -5.876 1.00 0.00 C ATOM 1155 C ASN A 83 4.340 -13.946 -7.225 1.00 0.00 C ATOM 1156 O ASN A 83 3.907 -13.064 -7.967 1.00 0.00 O ATOM 1157 CB ASN A 83 6.128 -12.627 -6.077 1.00 0.00 C ATOM 1158 CG ASN A 83 6.650 -12.068 -4.768 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.859 -11.955 -4.566 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.739 -11.716 -3.868 1.00 0.00 N ATOM 0 H ASN A 83 4.792 -14.982 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 83 4.180 -13.098 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.934 -13.148 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.816 -11.805 -6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.032 -11.335 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.747 -11.827 -4.077 1.00 0.00 H new ATOM 1167 N ILE A 84 4.286 -15.234 -7.540 1.00 0.00 N ATOM 1168 CA ILE A 84 3.704 -15.671 -8.802 1.00 0.00 C ATOM 1169 C ILE A 84 2.182 -15.675 -8.708 1.00 0.00 C ATOM 1170 O ILE A 84 1.491 -15.353 -9.673 1.00 0.00 O ATOM 1171 CB ILE A 84 4.208 -17.068 -9.209 1.00 0.00 C ATOM 1172 CG1 ILE A 84 5.661 -16.985 -9.679 1.00 0.00 C ATOM 1173 CG2 ILE A 84 3.325 -17.664 -10.297 1.00 0.00 C ATOM 1174 CD1 ILE A 84 6.605 -16.443 -8.629 1.00 0.00 C ATOM 0 H ILE A 84 4.634 -15.987 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 84 4.018 -14.965 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 84 4.159 -17.723 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.995 -17.978 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.712 -16.351 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.699 -18.651 -10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.303 -17.752 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.340 -17.016 -11.173 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.618 -16.412 -9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.296 -15.437 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 84 6.583 -17.089 -7.751 1.00 0.00 H new ATOM 1186 N SER A 85 1.673 -16.017 -7.527 1.00 0.00 N ATOM 1187 CA SER A 85 0.233 -16.036 -7.285 1.00 0.00 C ATOM 1188 C SER A 85 -0.404 -17.364 -7.696 1.00 0.00 C ATOM 1189 O SER A 85 -0.980 -17.473 -8.778 1.00 0.00 O ATOM 1190 CB SER A 85 -0.434 -14.876 -8.036 1.00 0.00 C ATOM 1191 OG SER A 85 -0.803 -15.251 -9.351 1.00 0.00 O ATOM 0 H SER A 85 2.238 -16.285 -6.721 1.00 0.00 H new ATOM 0 HA SER A 85 0.076 -15.921 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.318 -14.548 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.249 -14.027 -8.077 1.00 0.00 H new ATOM 0 HG SER A 85 -0.346 -14.672 -9.997 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.315 -18.368 -6.817 1.00 0.00 N ATOM 1198 CA ALA A 86 -0.906 -19.681 -7.090 1.00 0.00 C ATOM 1199 C ALA A 86 -0.209 -20.798 -6.315 1.00 0.00 C ATOM 1200 O ALA A 86 0.857 -21.268 -6.713 1.00 0.00 O ATOM 1201 CB ALA A 86 -0.863 -19.989 -8.580 1.00 0.00 C ATOM 0 H ALA A 86 0.158 -18.297 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.943 -19.637 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.306 -20.968 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.424 -19.230 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.172 -19.990 -8.922 1.00 0.00 H new ATOM 1207 N CYS A 87 -0.825 -21.234 -5.218 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.269 -22.312 -4.407 1.00 0.00 C ATOM 1209 C CYS A 87 -0.118 -23.579 -5.242 1.00 0.00 C ATOM 1210 O CYS A 87 -0.899 -23.816 -6.163 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.173 -22.589 -3.206 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.456 -22.088 -1.611 1.00 0.00 S ATOM 0 H CYS A 87 -1.707 -20.857 -4.872 1.00 0.00 H new ATOM 0 HA CYS A 87 0.714 -22.005 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.119 -22.066 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.399 -23.655 -3.172 1.00 0.00 H new ATOM 1217 N ILE A 88 0.884 -24.393 -4.919 1.00 0.00 N ATOM 1218 CA ILE A 88 1.115 -25.629 -5.655 1.00 0.00 C ATOM 1219 C ILE A 88 1.727 -26.700 -4.760 1.00 0.00 C ATOM 1220 O ILE A 88 2.192 -27.725 -5.299 1.00 0.00 O ATOM 1221 CB ILE A 88 2.037 -25.400 -6.869 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.737 -24.051 -7.522 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.878 -26.531 -7.871 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.223 -23.951 -8.952 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.734 -26.503 -3.529 1.00 0.00 O ATOM 0 H ILE A 88 1.542 -24.220 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 88 0.142 -25.969 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 88 3.071 -25.388 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.661 -23.876 -7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.201 -23.260 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.535 -26.357 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.141 -27.477 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.844 -26.572 -8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.976 -22.968 -9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.303 -24.094 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.740 -24.720 -9.555 1.00 0.00 H new