USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 528 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 71 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -10.9! C(o=-11!,f=-6!) USER MOD Single : A 44 CYS SG : rot -172:sc= -1.27 USER MOD Single : A 49 ASN : amide:sc= -0.758 K(o=-0.76,f=-2.4) USER MOD Single : A 50 CYS SG : rot -94:sc= -4.81! USER MOD Single : A 51 MET CE :methyl -156:sc= -0.146 (180deg=-0.969) USER MOD Single : A 53 THR OG1 : rot 54:sc= 1.22 USER MOD Single : A 54 MET CE :methyl -156:sc= -0.169 (180deg=-1.11) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -16:sc= -1.21 USER MOD Single : A 68 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.25) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 73 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.4!) USER MOD Single : A 77 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.31) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -13.036 -6.049 0.916 1.00 0.00 N ATOM 31 CA ARG A 20 -13.022 -6.035 -0.543 1.00 0.00 C ATOM 32 C ARG A 20 -12.466 -7.351 -1.083 1.00 0.00 C ATOM 33 O ARG A 20 -13.170 -8.096 -1.763 1.00 0.00 O ATOM 34 CB ARG A 20 -12.165 -4.849 -1.055 1.00 0.00 C ATOM 35 CG ARG A 20 -13.066 -3.717 -1.551 1.00 0.00 C ATOM 36 CD ARG A 20 -12.203 -2.526 -1.955 1.00 0.00 C ATOM 37 NE ARG A 20 -11.490 -2.005 -0.795 1.00 0.00 N ATOM 38 CZ ARG A 20 -10.571 -1.057 -0.927 1.00 0.00 C ATOM 39 NH1 ARG A 20 -10.293 -0.579 -2.109 1.00 0.00 N ATOM 40 NH2 ARG A 20 -9.945 -0.603 0.124 1.00 0.00 N ATOM 0 HA ARG A 20 -14.045 -5.915 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.520 -4.485 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.513 -5.184 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.660 -4.055 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.766 -3.425 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.491 -2.827 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.828 -1.745 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.701 -2.375 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.782 -0.934 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.587 0.150 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.162 -0.977 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.239 0.126 0.022 1.00 0.00 H new ATOM 54 N PRO A 21 -11.218 -7.638 -0.807 1.00 0.00 N ATOM 55 CA PRO A 21 -10.559 -8.885 -1.296 1.00 0.00 C ATOM 56 C PRO A 21 -11.301 -10.142 -0.845 1.00 0.00 C ATOM 57 O PRO A 21 -11.332 -11.145 -1.559 1.00 0.00 O ATOM 58 CB PRO A 21 -9.143 -8.812 -0.680 1.00 0.00 C ATOM 59 CG PRO A 21 -9.253 -7.834 0.444 1.00 0.00 C ATOM 60 CD PRO A 21 -10.293 -6.821 0.000 1.00 0.00 C ATOM 0 HA PRO A 21 -10.547 -8.949 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.819 -9.789 -0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.410 -8.484 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.556 -8.329 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.295 -7.353 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.797 -6.359 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.849 -6.015 -0.585 1.00 0.00 H new ATOM 68 N GLU A 22 -11.891 -10.080 0.339 1.00 0.00 N ATOM 69 CA GLU A 22 -12.622 -11.220 0.871 1.00 0.00 C ATOM 70 C GLU A 22 -13.922 -11.429 0.101 1.00 0.00 C ATOM 71 O GLU A 22 -14.326 -12.564 -0.157 1.00 0.00 O ATOM 72 CB GLU A 22 -12.926 -11.000 2.355 1.00 0.00 C ATOM 73 CG GLU A 22 -13.443 -12.303 2.971 1.00 0.00 C ATOM 74 CD GLU A 22 -12.313 -13.324 3.051 1.00 0.00 C ATOM 75 OE1 GLU A 22 -11.165 -12.912 3.020 1.00 0.00 O ATOM 76 OE2 GLU A 22 -12.612 -14.504 3.141 1.00 0.00 O ATOM 0 H GLU A 22 -11.879 -9.260 0.945 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.004 -12.111 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.027 -10.671 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.669 -10.211 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.843 -12.111 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.261 -12.700 2.370 1.00 0.00 H new ATOM 83 N GLU A 23 -14.573 -10.326 -0.257 1.00 0.00 N ATOM 84 CA GLU A 23 -15.827 -10.395 -0.995 1.00 0.00 C ATOM 85 C GLU A 23 -15.567 -10.686 -2.466 1.00 0.00 C ATOM 86 O GLU A 23 -16.301 -11.443 -3.097 1.00 0.00 O ATOM 87 CB GLU A 23 -16.588 -9.076 -0.858 1.00 0.00 C ATOM 88 CG GLU A 23 -17.050 -8.900 0.590 1.00 0.00 C ATOM 89 CD GLU A 23 -17.728 -7.545 0.758 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.795 -6.813 -0.215 1.00 0.00 O ATOM 91 OE2 GLU A 23 -18.175 -7.261 1.858 1.00 0.00 O ATOM 0 H GLU A 23 -14.254 -9.380 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 23 -16.428 -11.204 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.949 -8.243 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.447 -9.069 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.742 -9.698 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.197 -8.976 1.265 1.00 0.00 H new ATOM 98 N ILE A 24 -14.515 -10.077 -3.006 1.00 0.00 N ATOM 99 CA ILE A 24 -14.169 -10.274 -4.407 1.00 0.00 C ATOM 100 C ILE A 24 -13.805 -11.731 -4.672 1.00 0.00 C ATOM 101 O ILE A 24 -14.213 -12.310 -5.678 1.00 0.00 O ATOM 102 CB ILE A 24 -12.995 -9.367 -4.794 1.00 0.00 C ATOM 103 CG1 ILE A 24 -13.454 -7.907 -4.790 1.00 0.00 C ATOM 104 CG2 ILE A 24 -12.491 -9.737 -6.194 1.00 0.00 C ATOM 105 CD1 ILE A 24 -12.231 -6.990 -4.837 1.00 0.00 C ATOM 0 H ILE A 24 -13.893 -9.448 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.037 -10.015 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.188 -9.500 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.099 -7.715 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.042 -7.702 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.657 -9.089 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.160 -10.776 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.297 -9.610 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.556 -5.950 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.603 -7.176 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.661 -7.190 -5.744 1.00 0.00 H new ATOM 117 N GLU A 25 -13.029 -12.313 -3.767 1.00 0.00 N ATOM 118 CA GLU A 25 -12.610 -13.697 -3.925 1.00 0.00 C ATOM 119 C GLU A 25 -13.812 -14.587 -4.226 1.00 0.00 C ATOM 120 O GLU A 25 -13.713 -15.535 -5.005 1.00 0.00 O ATOM 121 CB GLU A 25 -11.918 -14.181 -2.644 1.00 0.00 C ATOM 122 CG GLU A 25 -11.130 -15.464 -2.929 1.00 0.00 C ATOM 123 CD GLU A 25 -12.091 -16.616 -3.201 1.00 0.00 C ATOM 124 OE1 GLU A 25 -13.127 -16.662 -2.556 1.00 0.00 O ATOM 125 OE2 GLU A 25 -11.779 -17.434 -4.050 1.00 0.00 O ATOM 0 H GLU A 25 -12.681 -11.854 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.911 -13.756 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.247 -13.408 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.660 -14.365 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.475 -15.315 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.492 -15.705 -2.079 1.00 0.00 H new ATOM 132 N GLU A 26 -14.942 -14.280 -3.603 1.00 0.00 N ATOM 133 CA GLU A 26 -16.154 -15.061 -3.815 1.00 0.00 C ATOM 134 C GLU A 26 -16.673 -14.870 -5.236 1.00 0.00 C ATOM 135 O GLU A 26 -17.172 -15.809 -5.856 1.00 0.00 O ATOM 136 CB GLU A 26 -17.228 -14.636 -2.811 1.00 0.00 C ATOM 137 CG GLU A 26 -16.753 -14.946 -1.389 1.00 0.00 C ATOM 138 CD GLU A 26 -16.622 -16.453 -1.195 1.00 0.00 C ATOM 139 OE1 GLU A 26 -17.222 -17.183 -1.966 1.00 0.00 O ATOM 140 OE2 GLU A 26 -15.924 -16.855 -0.279 1.00 0.00 O ATOM 0 H GLU A 26 -15.045 -13.502 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.918 -16.115 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.434 -13.570 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.161 -15.162 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.793 -14.463 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.459 -14.539 -0.665 1.00 0.00 H new ATOM 147 N LEU A 27 -16.551 -13.650 -5.745 1.00 0.00 N ATOM 148 CA LEU A 27 -17.010 -13.342 -7.095 1.00 0.00 C ATOM 149 C LEU A 27 -16.200 -14.120 -8.124 1.00 0.00 C ATOM 150 O LEU A 27 -16.740 -14.585 -9.128 1.00 0.00 O ATOM 151 CB LEU A 27 -16.882 -11.842 -7.366 1.00 0.00 C ATOM 152 CG LEU A 27 -17.562 -11.058 -6.239 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.456 -9.558 -6.525 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.042 -11.463 -6.137 1.00 0.00 C ATOM 0 H LEU A 27 -16.140 -12.861 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.057 -13.633 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.831 -11.563 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.341 -11.594 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.066 -11.284 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.940 -9.000 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.406 -9.272 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.947 -9.333 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.518 -10.901 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.545 -11.245 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.114 -12.530 -5.926 1.00 0.00 H new ATOM 166 N ARG A 28 -14.902 -14.254 -7.873 1.00 0.00 N ATOM 167 CA ARG A 28 -14.031 -14.969 -8.793 1.00 0.00 C ATOM 168 C ARG A 28 -14.578 -16.367 -9.059 1.00 0.00 C ATOM 169 O ARG A 28 -14.603 -16.824 -10.202 1.00 0.00 O ATOM 170 CB ARG A 28 -12.625 -15.076 -8.194 1.00 0.00 C ATOM 171 CG ARG A 28 -11.683 -15.739 -9.203 1.00 0.00 C ATOM 172 CD ARG A 28 -10.278 -15.836 -8.607 1.00 0.00 C ATOM 173 NE ARG A 28 -10.278 -16.739 -7.461 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.179 -16.931 -6.740 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.075 -16.310 -7.055 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.203 -17.742 -5.718 1.00 0.00 N ATOM 0 H ARG A 28 -14.435 -13.880 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.987 -14.420 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.254 -14.085 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.655 -15.658 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.050 -16.733 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.658 -15.161 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.579 -16.195 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.936 -14.847 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.136 -17.231 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.056 -15.677 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.231 -16.457 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.065 -18.228 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.359 -17.890 -5.164 1.00 0.00 H new ATOM 190 N GLU A 29 -15.018 -17.038 -8.003 1.00 0.00 N ATOM 191 CA GLU A 29 -15.569 -18.379 -8.143 1.00 0.00 C ATOM 192 C GLU A 29 -16.879 -18.337 -8.924 1.00 0.00 C ATOM 193 O GLU A 29 -17.141 -19.200 -9.763 1.00 0.00 O ATOM 194 CB GLU A 29 -15.809 -18.992 -6.763 1.00 0.00 C ATOM 195 CG GLU A 29 -16.305 -20.432 -6.918 1.00 0.00 C ATOM 196 CD GLU A 29 -16.458 -21.080 -5.548 1.00 0.00 C ATOM 197 OE1 GLU A 29 -15.913 -20.546 -4.596 1.00 0.00 O ATOM 198 OE2 GLU A 29 -17.122 -22.101 -5.469 1.00 0.00 O ATOM 0 H GLU A 29 -15.005 -16.680 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.854 -18.993 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.887 -18.975 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.543 -18.401 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.260 -20.442 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.602 -21.004 -7.524 1.00 0.00 H new ATOM 205 N ALA A 30 -17.699 -17.330 -8.640 1.00 0.00 N ATOM 206 CA ALA A 30 -18.979 -17.189 -9.321 1.00 0.00 C ATOM 207 C ALA A 30 -18.775 -16.954 -10.812 1.00 0.00 C ATOM 208 O ALA A 30 -19.415 -17.594 -11.644 1.00 0.00 O ATOM 209 CB ALA A 30 -19.764 -16.019 -8.724 1.00 0.00 C ATOM 0 H ALA A 30 -17.502 -16.606 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.541 -18.113 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.719 -15.921 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -19.940 -16.202 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.192 -15.099 -8.843 1.00 0.00 H new ATOM 215 N PHE A 31 -17.877 -16.035 -11.143 1.00 0.00 N ATOM 216 CA PHE A 31 -17.609 -15.718 -12.541 1.00 0.00 C ATOM 217 C PHE A 31 -17.318 -16.988 -13.327 1.00 0.00 C ATOM 218 O PHE A 31 -17.888 -17.208 -14.396 1.00 0.00 O ATOM 219 CB PHE A 31 -16.403 -14.781 -12.628 1.00 0.00 C ATOM 220 CG PHE A 31 -16.258 -14.266 -14.042 1.00 0.00 C ATOM 221 CD1 PHE A 31 -15.545 -15.008 -14.991 1.00 0.00 C ATOM 222 CD2 PHE A 31 -16.842 -13.045 -14.404 1.00 0.00 C ATOM 223 CE1 PHE A 31 -15.413 -14.529 -16.302 1.00 0.00 C ATOM 224 CE2 PHE A 31 -16.709 -12.566 -15.714 1.00 0.00 C ATOM 225 CZ PHE A 31 -15.995 -13.307 -16.663 1.00 0.00 C ATOM 0 H PHE A 31 -17.327 -15.501 -10.471 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.488 -15.233 -12.966 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.528 -13.947 -11.938 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.498 -15.309 -12.329 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.096 -15.950 -14.713 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.395 -12.473 -13.673 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.863 -15.102 -17.034 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.158 -11.624 -15.992 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.893 -12.937 -17.672 1.00 0.00 H new ATOM 235 N ARG A 32 -16.439 -17.819 -12.793 1.00 0.00 N ATOM 236 CA ARG A 32 -16.088 -19.070 -13.455 1.00 0.00 C ATOM 237 C ARG A 32 -17.277 -20.024 -13.461 1.00 0.00 C ATOM 238 O ARG A 32 -17.499 -20.750 -14.431 1.00 0.00 O ATOM 239 CB ARG A 32 -14.903 -19.728 -12.745 1.00 0.00 C ATOM 240 CG ARG A 32 -13.639 -18.896 -12.978 1.00 0.00 C ATOM 241 CD ARG A 32 -12.468 -19.523 -12.218 1.00 0.00 C ATOM 242 NE ARG A 32 -11.250 -18.753 -12.443 1.00 0.00 N ATOM 243 CZ ARG A 32 -10.055 -19.254 -12.148 1.00 0.00 C ATOM 244 NH1 ARG A 32 -9.958 -20.456 -11.646 1.00 0.00 N ATOM 245 NH2 ARG A 32 -8.980 -18.548 -12.361 1.00 0.00 N ATOM 0 H ARG A 32 -15.957 -17.655 -11.909 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.810 -18.847 -14.485 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.105 -19.809 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.758 -20.741 -13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.412 -18.850 -14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.798 -17.871 -12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.694 -19.557 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.322 -20.552 -12.546 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.317 -17.813 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.799 -21.009 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.041 -20.842 -11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.056 -17.610 -12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.063 -18.934 -12.134 1.00 0.00 H new ATOM 259 N GLU A 33 -18.034 -20.023 -12.372 1.00 0.00 N ATOM 260 CA GLU A 33 -19.192 -20.901 -12.257 1.00 0.00 C ATOM 261 C GLU A 33 -20.183 -20.618 -13.377 1.00 0.00 C ATOM 262 O GLU A 33 -20.738 -21.539 -13.978 1.00 0.00 O ATOM 263 CB GLU A 33 -19.872 -20.693 -10.902 1.00 0.00 C ATOM 264 CG GLU A 33 -20.985 -21.727 -10.726 1.00 0.00 C ATOM 265 CD GLU A 33 -21.602 -21.594 -9.337 1.00 0.00 C ATOM 266 OE1 GLU A 33 -21.008 -20.926 -8.507 1.00 0.00 O ATOM 267 OE2 GLU A 33 -22.661 -22.162 -9.124 1.00 0.00 O ATOM 0 H GLU A 33 -17.869 -19.428 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.855 -21.935 -12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.142 -20.788 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.284 -19.686 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.750 -21.584 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.585 -22.732 -10.861 1.00 0.00 H new ATOM 274 N PHE A 34 -20.398 -19.338 -13.660 1.00 0.00 N ATOM 275 CA PHE A 34 -21.320 -18.942 -14.715 1.00 0.00 C ATOM 276 C PHE A 34 -20.648 -19.051 -16.078 1.00 0.00 C ATOM 277 O PHE A 34 -21.322 -19.068 -17.108 1.00 0.00 O ATOM 278 CB PHE A 34 -21.790 -17.503 -14.495 1.00 0.00 C ATOM 279 CG PHE A 34 -22.727 -17.452 -13.309 1.00 0.00 C ATOM 280 CD1 PHE A 34 -23.998 -18.032 -13.399 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.325 -16.830 -12.120 1.00 0.00 C ATOM 282 CE1 PHE A 34 -24.866 -17.989 -12.302 1.00 0.00 C ATOM 283 CE2 PHE A 34 -23.194 -16.787 -11.024 1.00 0.00 C ATOM 284 CZ PHE A 34 -24.465 -17.366 -11.115 1.00 0.00 C ATOM 0 H PHE A 34 -19.948 -18.561 -13.176 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.180 -19.611 -14.686 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.933 -16.852 -14.323 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.296 -17.134 -15.387 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.309 -18.513 -14.315 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.344 -16.384 -12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -25.846 -18.437 -12.372 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -22.884 -16.307 -10.108 1.00 0.00 H new ATOM 0 HZ PHE A 34 -25.136 -17.332 -10.269 1.00 0.00 H new ATOM 294 N ASP A 35 -19.316 -19.124 -16.084 1.00 0.00 N ATOM 295 CA ASP A 35 -18.581 -19.226 -17.337 1.00 0.00 C ATOM 296 C ASP A 35 -18.563 -20.669 -17.830 1.00 0.00 C ATOM 297 O ASP A 35 -17.801 -21.497 -17.333 1.00 0.00 O ATOM 298 CB ASP A 35 -17.145 -18.747 -17.128 1.00 0.00 C ATOM 299 CG ASP A 35 -16.450 -18.582 -18.472 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.863 -19.236 -19.413 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.511 -17.805 -18.538 1.00 0.00 O ATOM 0 H ASP A 35 -18.735 -19.114 -15.246 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.075 -18.603 -18.083 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.144 -17.799 -16.590 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.600 -19.463 -16.513 1.00 0.00 H new ATOM 306 N LYS A 36 -19.408 -20.962 -18.815 1.00 0.00 N ATOM 307 CA LYS A 36 -19.483 -22.307 -19.377 1.00 0.00 C ATOM 308 C LYS A 36 -18.448 -22.484 -20.484 1.00 0.00 C ATOM 309 O LYS A 36 -17.877 -23.561 -20.653 1.00 0.00 O ATOM 310 CB LYS A 36 -20.888 -22.557 -19.932 1.00 0.00 C ATOM 311 CG LYS A 36 -21.173 -21.585 -21.080 1.00 0.00 C ATOM 312 CD LYS A 36 -22.617 -21.757 -21.549 1.00 0.00 C ATOM 313 CE LYS A 36 -22.895 -20.795 -22.705 1.00 0.00 C ATOM 314 NZ LYS A 36 -24.291 -20.989 -23.188 1.00 0.00 N ATOM 0 H LYS A 36 -20.047 -20.290 -19.239 1.00 0.00 H new ATOM 0 HA LYS A 36 -19.272 -23.028 -18.587 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.972 -23.585 -20.284 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.629 -22.429 -19.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -21.006 -20.559 -20.752 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.487 -21.771 -21.906 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -22.787 -22.785 -21.868 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -23.304 -21.561 -20.726 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.752 -19.765 -22.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.190 -20.972 -23.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -24.480 -20.335 -23.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -24.412 -21.969 -23.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -24.956 -20.799 -22.412 1.00 0.00 H new ATOM 328 N ASP A 37 -18.218 -21.416 -21.240 1.00 0.00 N ATOM 329 CA ASP A 37 -17.257 -21.457 -22.338 1.00 0.00 C ATOM 330 C ASP A 37 -15.832 -21.441 -21.803 1.00 0.00 C ATOM 331 O ASP A 37 -14.885 -21.745 -22.524 1.00 0.00 O ATOM 332 CB ASP A 37 -17.465 -20.257 -23.264 1.00 0.00 C ATOM 333 CG ASP A 37 -17.398 -18.963 -22.462 1.00 0.00 C ATOM 334 OD1 ASP A 37 -16.465 -18.816 -21.691 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.283 -18.139 -22.629 1.00 0.00 O ATOM 0 H ASP A 37 -18.681 -20.516 -21.114 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.416 -22.379 -22.897 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.703 -20.252 -24.043 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.431 -20.336 -23.764 1.00 0.00 H new ATOM 340 N LYS A 38 -15.688 -21.086 -20.535 1.00 0.00 N ATOM 341 CA LYS A 38 -14.373 -21.039 -19.905 1.00 0.00 C ATOM 342 C LYS A 38 -13.352 -20.383 -20.826 1.00 0.00 C ATOM 343 O LYS A 38 -12.180 -20.757 -20.843 1.00 0.00 O ATOM 344 CB LYS A 38 -13.931 -22.470 -19.523 1.00 0.00 C ATOM 345 CG LYS A 38 -13.538 -22.523 -18.048 1.00 0.00 C ATOM 346 CD LYS A 38 -14.796 -22.522 -17.178 1.00 0.00 C ATOM 347 CE LYS A 38 -14.401 -22.711 -15.716 1.00 0.00 C ATOM 348 NZ LYS A 38 -15.629 -22.718 -14.874 1.00 0.00 N ATOM 0 H LYS A 38 -16.461 -20.827 -19.922 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.436 -20.434 -19.000 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.741 -23.173 -19.717 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.088 -22.776 -20.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.949 -23.419 -17.851 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.911 -21.667 -17.798 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.336 -21.584 -17.302 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.469 -23.321 -17.491 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.855 -23.647 -15.592 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.734 -21.909 -15.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.371 -22.914 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.095 -21.790 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.279 -23.455 -15.215 1.00 0.00 H new ATOM 362 N ASP A 39 -13.802 -19.396 -21.581 1.00 0.00 N ATOM 363 CA ASP A 39 -12.916 -18.684 -22.492 1.00 0.00 C ATOM 364 C ASP A 39 -12.396 -17.413 -21.836 1.00 0.00 C ATOM 365 O ASP A 39 -11.633 -16.658 -22.440 1.00 0.00 O ATOM 366 CB ASP A 39 -13.661 -18.336 -23.778 1.00 0.00 C ATOM 367 CG ASP A 39 -14.919 -17.543 -23.452 1.00 0.00 C ATOM 368 OD1 ASP A 39 -15.018 -17.065 -22.334 1.00 0.00 O ATOM 369 OD2 ASP A 39 -15.764 -17.425 -24.323 1.00 0.00 O ATOM 0 H ASP A 39 -14.768 -19.069 -21.584 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.070 -19.328 -22.732 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.015 -17.755 -24.436 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.925 -19.248 -24.314 1.00 0.00 H new ATOM 374 N GLY A 40 -12.816 -17.177 -20.593 1.00 0.00 N ATOM 375 CA GLY A 40 -12.386 -15.991 -19.865 1.00 0.00 C ATOM 376 C GLY A 40 -13.199 -14.785 -20.301 1.00 0.00 C ATOM 377 O GLY A 40 -12.660 -13.697 -20.493 1.00 0.00 O ATOM 0 H GLY A 40 -13.448 -17.788 -20.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.504 -16.150 -18.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.327 -15.809 -20.045 1.00 0.00 H new ATOM 381 N TYR A 41 -14.504 -14.991 -20.456 1.00 0.00 N ATOM 382 CA TYR A 41 -15.389 -13.905 -20.874 1.00 0.00 C ATOM 383 C TYR A 41 -16.854 -14.312 -20.745 1.00 0.00 C ATOM 384 O TYR A 41 -17.191 -15.491 -20.813 1.00 0.00 O ATOM 385 CB TYR A 41 -15.088 -13.515 -22.340 1.00 0.00 C ATOM 386 CG TYR A 41 -14.129 -12.347 -22.389 1.00 0.00 C ATOM 387 CD1 TYR A 41 -14.568 -11.078 -22.000 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.811 -12.534 -22.817 1.00 0.00 C ATOM 389 CE1 TYR A 41 -13.690 -9.992 -22.040 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.930 -11.448 -22.856 1.00 0.00 C ATOM 391 CZ TYR A 41 -12.370 -10.177 -22.468 1.00 0.00 C ATOM 392 OH TYR A 41 -11.501 -9.106 -22.505 1.00 0.00 O ATOM 0 H TYR A 41 -14.968 -15.886 -20.301 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.208 -13.050 -20.222 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.661 -14.367 -22.869 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -16.015 -13.254 -22.851 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.586 -10.937 -21.668 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.474 -13.515 -23.117 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.029 -9.011 -21.741 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.911 -11.590 -23.185 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.625 -9.407 -22.824 1.00 0.00 H new ATOM 402 N ILE A 42 -17.721 -13.316 -20.573 1.00 0.00 N ATOM 403 CA ILE A 42 -19.153 -13.568 -20.451 1.00 0.00 C ATOM 404 C ILE A 42 -19.948 -12.394 -20.998 1.00 0.00 C ATOM 405 O ILE A 42 -19.377 -11.396 -21.432 1.00 0.00 O ATOM 406 CB ILE A 42 -19.519 -13.800 -18.985 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.166 -12.557 -18.157 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.743 -15.006 -18.447 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.651 -12.752 -16.721 1.00 0.00 C ATOM 0 H ILE A 42 -17.458 -12.332 -20.515 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.399 -14.459 -21.030 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.589 -13.991 -18.910 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.089 -12.391 -18.170 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.630 -11.672 -18.593 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.005 -15.170 -17.402 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.998 -15.892 -19.029 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.673 -14.815 -18.527 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.402 -11.871 -16.130 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.731 -12.897 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.166 -13.628 -16.289 1.00 0.00 H new ATOM 421 N ASN A 43 -21.273 -12.515 -20.979 1.00 0.00 N ATOM 422 CA ASN A 43 -22.146 -11.452 -21.475 1.00 0.00 C ATOM 423 C ASN A 43 -23.356 -11.290 -20.564 1.00 0.00 C ATOM 424 O ASN A 43 -23.448 -11.933 -19.519 1.00 0.00 O ATOM 425 CB ASN A 43 -22.601 -11.770 -22.901 1.00 0.00 C ATOM 426 CG ASN A 43 -22.943 -13.252 -23.023 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.174 -13.750 -24.124 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.990 -13.993 -21.948 1.00 0.00 N ATOM 0 H ASN A 43 -21.766 -13.336 -20.627 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.587 -10.516 -21.481 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.471 -11.166 -23.157 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.814 -11.511 -23.609 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.218 -14.984 -22.022 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.798 -13.580 -21.035 1.00 0.00 H new ATOM 435 N CYS A 44 -24.274 -10.417 -20.962 1.00 0.00 N ATOM 436 CA CYS A 44 -25.470 -10.162 -20.169 1.00 0.00 C ATOM 437 C CYS A 44 -26.421 -11.352 -20.211 1.00 0.00 C ATOM 438 O CYS A 44 -27.638 -11.188 -20.093 1.00 0.00 O ATOM 439 CB CYS A 44 -26.183 -8.914 -20.688 1.00 0.00 C ATOM 440 SG CYS A 44 -24.983 -7.578 -20.884 1.00 0.00 S ATOM 0 H CYS A 44 -24.214 -9.876 -21.825 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.164 -10.004 -19.135 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.666 -9.127 -21.642 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.968 -8.614 -19.993 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.607 -6.471 -21.159 1.00 0.00 H new ATOM 446 N ARG A 45 -25.869 -12.551 -20.374 1.00 0.00 N ATOM 447 CA ARG A 45 -26.687 -13.758 -20.418 1.00 0.00 C ATOM 448 C ARG A 45 -26.921 -14.293 -19.011 1.00 0.00 C ATOM 449 O ARG A 45 -28.034 -14.232 -18.491 1.00 0.00 O ATOM 450 CB ARG A 45 -25.992 -14.826 -21.266 1.00 0.00 C ATOM 451 CG ARG A 45 -26.041 -14.416 -22.739 1.00 0.00 C ATOM 452 CD ARG A 45 -25.351 -15.483 -23.590 1.00 0.00 C ATOM 453 NE ARG A 45 -26.066 -16.751 -23.470 1.00 0.00 N ATOM 454 CZ ARG A 45 -27.138 -17.011 -24.215 1.00 0.00 C ATOM 455 NH1 ARG A 45 -27.569 -16.124 -25.067 1.00 0.00 N ATOM 456 NH2 ARG A 45 -27.758 -18.153 -24.089 1.00 0.00 N ATOM 0 H ARG A 45 -24.867 -12.712 -20.477 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.650 -13.510 -20.865 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.957 -14.945 -20.944 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.481 -15.790 -21.129 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.076 -14.294 -23.059 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.549 -13.453 -22.876 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -25.324 -15.168 -24.633 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -24.317 -15.606 -23.267 1.00 0.00 H new ATOM 0 HE ARG A 45 -25.738 -17.450 -22.803 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -27.085 -15.231 -25.163 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -28.390 -16.323 -25.638 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -27.421 -18.845 -23.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -28.580 -18.353 -24.660 1.00 0.00 H new ATOM 470 N ASP A 46 -25.864 -14.814 -18.396 1.00 0.00 N ATOM 471 CA ASP A 46 -25.953 -15.358 -17.042 1.00 0.00 C ATOM 472 C ASP A 46 -25.579 -14.299 -16.020 1.00 0.00 C ATOM 473 O ASP A 46 -25.688 -14.522 -14.815 1.00 0.00 O ATOM 474 CB ASP A 46 -25.026 -16.569 -16.899 1.00 0.00 C ATOM 475 CG ASP A 46 -25.522 -17.717 -17.775 1.00 0.00 C ATOM 476 OD1 ASP A 46 -26.655 -17.645 -18.223 1.00 0.00 O ATOM 477 OD2 ASP A 46 -24.763 -18.648 -17.983 1.00 0.00 O ATOM 0 H ASP A 46 -24.935 -14.872 -18.812 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.981 -15.672 -16.862 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.011 -16.295 -17.186 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -24.988 -16.887 -15.857 1.00 0.00 H new ATOM 482 N LEU A 47 -25.130 -13.147 -16.503 1.00 0.00 N ATOM 483 CA LEU A 47 -24.730 -12.073 -15.606 1.00 0.00 C ATOM 484 C LEU A 47 -25.903 -11.680 -14.704 1.00 0.00 C ATOM 485 O LEU A 47 -25.769 -11.614 -13.484 1.00 0.00 O ATOM 486 CB LEU A 47 -24.282 -10.854 -16.435 1.00 0.00 C ATOM 487 CG LEU A 47 -23.338 -9.971 -15.607 1.00 0.00 C ATOM 488 CD1 LEU A 47 -22.789 -8.848 -16.487 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.087 -9.377 -14.402 1.00 0.00 C ATOM 0 H LEU A 47 -25.035 -12.935 -17.496 1.00 0.00 H new ATOM 0 HA LEU A 47 -23.903 -12.415 -14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.778 -11.187 -17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.152 -10.277 -16.747 1.00 0.00 H new ATOM 0 HG LEU A 47 -22.511 -10.578 -15.238 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.119 -8.220 -15.900 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -22.242 -9.278 -17.326 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -23.615 -8.244 -16.863 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.407 -8.753 -13.823 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -24.923 -8.773 -14.755 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.463 -10.184 -13.773 1.00 0.00 H new ATOM 501 N GLY A 48 -27.057 -11.444 -15.309 1.00 0.00 N ATOM 502 CA GLY A 48 -28.237 -11.069 -14.544 1.00 0.00 C ATOM 503 C GLY A 48 -28.590 -12.160 -13.541 1.00 0.00 C ATOM 504 O GLY A 48 -29.008 -11.873 -12.418 1.00 0.00 O ATOM 0 H GLY A 48 -27.202 -11.504 -16.317 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.055 -10.130 -14.021 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.077 -10.901 -15.218 1.00 0.00 H new ATOM 508 N ASN A 49 -28.419 -13.416 -13.949 1.00 0.00 N ATOM 509 CA ASN A 49 -28.729 -14.539 -13.073 1.00 0.00 C ATOM 510 C ASN A 49 -27.801 -14.544 -11.863 1.00 0.00 C ATOM 511 O ASN A 49 -28.071 -15.216 -10.865 1.00 0.00 O ATOM 512 CB ASN A 49 -28.571 -15.849 -13.842 1.00 0.00 C ATOM 513 CG ASN A 49 -29.607 -15.931 -14.957 1.00 0.00 C ATOM 514 OD1 ASN A 49 -30.735 -15.470 -14.791 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.285 -16.488 -16.093 1.00 0.00 N ATOM 0 H ASN A 49 -28.071 -13.678 -14.871 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.758 -14.438 -12.727 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.567 -15.914 -14.262 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.688 -16.694 -13.164 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -29.970 -16.542 -16.847 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.348 -16.869 -16.227 1.00 0.00 H new ATOM 522 N CYS A 50 -26.706 -13.798 -11.956 1.00 0.00 N ATOM 523 CA CYS A 50 -25.743 -13.725 -10.862 1.00 0.00 C ATOM 524 C CYS A 50 -26.175 -12.689 -9.823 1.00 0.00 C ATOM 525 O CYS A 50 -25.965 -12.869 -8.625 1.00 0.00 O ATOM 526 CB CYS A 50 -24.363 -13.352 -11.406 1.00 0.00 C ATOM 527 SG CYS A 50 -23.937 -14.456 -12.774 1.00 0.00 S ATOM 0 H CYS A 50 -26.463 -13.238 -12.773 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.698 -14.703 -10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -24.362 -12.316 -11.746 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.616 -13.429 -10.616 1.00 0.00 H new ATOM 0 HG CYS A 50 -23.230 -15.450 -12.325 1.00 0.00 H new ATOM 533 N MET A 51 -26.758 -11.591 -10.294 1.00 0.00 N ATOM 534 CA MET A 51 -27.188 -10.524 -9.407 1.00 0.00 C ATOM 535 C MET A 51 -28.282 -11.021 -8.478 1.00 0.00 C ATOM 536 O MET A 51 -28.358 -10.615 -7.320 1.00 0.00 O ATOM 537 CB MET A 51 -27.706 -9.341 -10.230 1.00 0.00 C ATOM 538 CG MET A 51 -26.572 -8.768 -11.087 1.00 0.00 C ATOM 539 SD MET A 51 -25.282 -8.075 -10.019 1.00 0.00 S ATOM 540 CE MET A 51 -26.211 -6.643 -9.412 1.00 0.00 C ATOM 0 H MET A 51 -26.942 -11.420 -11.283 1.00 0.00 H new ATOM 0 HA MET A 51 -26.337 -10.201 -8.808 1.00 0.00 H new ATOM 0 HB2 MET A 51 -28.529 -9.663 -10.868 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.099 -8.570 -9.568 1.00 0.00 H new ATOM 0 HG2 MET A 51 -26.152 -9.550 -11.719 1.00 0.00 H new ATOM 0 HG3 MET A 51 -26.961 -7.996 -11.751 1.00 0.00 H new ATOM 0 HE1 MET A 51 -25.516 -5.866 -9.095 1.00 0.00 H new ATOM 0 HE2 MET A 51 -26.847 -6.257 -10.209 1.00 0.00 H new ATOM 0 HE3 MET A 51 -26.830 -6.943 -8.567 1.00 0.00 H new ATOM 550 N ARG A 52 -29.142 -11.887 -8.997 1.00 0.00 N ATOM 551 CA ARG A 52 -30.235 -12.421 -8.202 1.00 0.00 C ATOM 552 C ARG A 52 -29.748 -13.515 -7.256 1.00 0.00 C ATOM 553 O ARG A 52 -30.394 -13.815 -6.252 1.00 0.00 O ATOM 554 CB ARG A 52 -31.320 -12.984 -9.123 1.00 0.00 C ATOM 555 CG ARG A 52 -30.753 -14.155 -9.928 1.00 0.00 C ATOM 556 CD ARG A 52 -31.824 -14.689 -10.877 1.00 0.00 C ATOM 557 NE ARG A 52 -31.328 -15.868 -11.577 1.00 0.00 N ATOM 558 CZ ARG A 52 -32.111 -16.561 -12.395 1.00 0.00 C ATOM 559 NH1 ARG A 52 -33.346 -16.187 -12.586 1.00 0.00 N ATOM 560 NH2 ARG A 52 -31.646 -17.616 -13.007 1.00 0.00 N ATOM 0 H ARG A 52 -29.104 -12.231 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.646 -11.608 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -32.175 -13.315 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -31.679 -12.206 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -29.879 -13.831 -10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -30.422 -14.946 -9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.725 -14.941 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -32.101 -13.918 -11.597 1.00 0.00 H new ATOM 0 HE ARG A 52 -30.363 -16.165 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -33.709 -15.363 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -33.949 -16.719 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -30.680 -17.908 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -32.248 -18.148 -13.635 1.00 0.00 H new ATOM 574 N THR A 53 -28.611 -14.114 -7.589 1.00 0.00 N ATOM 575 CA THR A 53 -28.056 -15.184 -6.768 1.00 0.00 C ATOM 576 C THR A 53 -27.758 -14.682 -5.362 1.00 0.00 C ATOM 577 O THR A 53 -28.086 -15.341 -4.374 1.00 0.00 O ATOM 578 CB THR A 53 -26.770 -15.711 -7.404 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.064 -16.268 -8.678 1.00 0.00 O ATOM 580 CG2 THR A 53 -26.153 -16.782 -6.505 1.00 0.00 C ATOM 0 H THR A 53 -28.059 -13.880 -8.414 1.00 0.00 H new ATOM 0 HA THR A 53 -28.790 -15.987 -6.706 1.00 0.00 H new ATOM 0 HB THR A 53 -26.063 -14.890 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.539 -15.606 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.236 -17.156 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.924 -16.351 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 53 -26.858 -17.604 -6.382 1.00 0.00 H new ATOM 588 N MET A 54 -27.138 -13.512 -5.280 1.00 0.00 N ATOM 589 CA MET A 54 -26.800 -12.925 -3.985 1.00 0.00 C ATOM 590 C MET A 54 -26.553 -11.421 -4.118 1.00 0.00 C ATOM 591 O MET A 54 -26.322 -10.730 -3.126 1.00 0.00 O ATOM 592 CB MET A 54 -25.546 -13.605 -3.417 1.00 0.00 C ATOM 593 CG MET A 54 -25.499 -13.424 -1.896 1.00 0.00 C ATOM 594 SD MET A 54 -23.958 -14.119 -1.250 1.00 0.00 S ATOM 595 CE MET A 54 -24.310 -15.855 -1.621 1.00 0.00 C ATOM 0 H MET A 54 -26.860 -12.953 -6.086 1.00 0.00 H new ATOM 0 HA MET A 54 -27.639 -13.081 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.553 -14.666 -3.666 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.652 -13.177 -3.871 1.00 0.00 H new ATOM 0 HG2 MET A 54 -25.567 -12.366 -1.643 1.00 0.00 H new ATOM 0 HG3 MET A 54 -26.354 -13.917 -1.434 1.00 0.00 H new ATOM 0 HE1 MET A 54 -23.728 -16.494 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 54 -25.372 -16.050 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 54 -24.042 -16.068 -2.656 1.00 0.00 H new ATOM 605 N GLY A 55 -26.605 -10.922 -5.347 1.00 0.00 N ATOM 606 CA GLY A 55 -26.385 -9.510 -5.593 1.00 0.00 C ATOM 607 C GLY A 55 -27.415 -8.669 -4.863 1.00 0.00 C ATOM 608 O GLY A 55 -27.466 -8.657 -3.633 1.00 0.00 O ATOM 0 H GLY A 55 -26.797 -11.475 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.383 -9.231 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.438 -9.310 -6.663 1.00 0.00 H new ATOM 612 N TYR A 56 -28.236 -7.961 -5.630 1.00 0.00 N ATOM 613 CA TYR A 56 -29.275 -7.100 -5.061 1.00 0.00 C ATOM 614 C TYR A 56 -30.653 -7.488 -5.584 1.00 0.00 C ATOM 615 O TYR A 56 -31.671 -6.971 -5.124 1.00 0.00 O ATOM 616 CB TYR A 56 -28.988 -5.636 -5.408 1.00 0.00 C ATOM 617 CG TYR A 56 -30.069 -4.758 -4.820 1.00 0.00 C ATOM 618 CD1 TYR A 56 -30.114 -4.534 -3.438 1.00 0.00 C ATOM 619 CD2 TYR A 56 -31.027 -4.171 -5.655 1.00 0.00 C ATOM 620 CE1 TYR A 56 -31.116 -3.722 -2.892 1.00 0.00 C ATOM 621 CE2 TYR A 56 -32.030 -3.361 -5.109 1.00 0.00 C ATOM 622 CZ TYR A 56 -32.075 -3.136 -3.728 1.00 0.00 C ATOM 623 OH TYR A 56 -33.063 -2.336 -3.191 1.00 0.00 O ATOM 0 H TYR A 56 -28.205 -7.964 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 56 -29.267 -7.228 -3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -28.014 -5.343 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.949 -5.508 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -29.376 -4.988 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -30.992 -4.343 -6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -31.149 -3.548 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -32.770 -2.909 -5.754 1.00 0.00 H new ATOM 0 HH TYR A 56 -33.645 -2.009 -3.908 1.00 0.00 H new ATOM 633 N MET A 57 -30.678 -8.403 -6.544 1.00 0.00 N ATOM 634 CA MET A 57 -31.938 -8.854 -7.116 1.00 0.00 C ATOM 635 C MET A 57 -32.681 -7.685 -7.753 1.00 0.00 C ATOM 636 O MET A 57 -33.674 -7.196 -7.211 1.00 0.00 O ATOM 637 CB MET A 57 -32.812 -9.488 -6.033 1.00 0.00 C ATOM 638 CG MET A 57 -33.941 -10.287 -6.689 1.00 0.00 C ATOM 639 SD MET A 57 -34.987 -11.019 -5.406 1.00 0.00 S ATOM 640 CE MET A 57 -34.073 -12.570 -5.222 1.00 0.00 C ATOM 0 H MET A 57 -29.848 -8.844 -6.940 1.00 0.00 H new ATOM 0 HA MET A 57 -31.721 -9.597 -7.883 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.210 -10.141 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 57 -33.228 -8.714 -5.387 1.00 0.00 H new ATOM 0 HG2 MET A 57 -34.536 -9.637 -7.331 1.00 0.00 H new ATOM 0 HG3 MET A 57 -33.526 -11.069 -7.325 1.00 0.00 H new ATOM 0 HE1 MET A 57 -34.554 -13.188 -4.464 1.00 0.00 H new ATOM 0 HE2 MET A 57 -34.065 -13.103 -6.173 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.049 -12.355 -4.918 1.00 0.00 H new ATOM 650 N PRO A 58 -32.221 -7.241 -8.892 1.00 0.00 N ATOM 651 CA PRO A 58 -32.851 -6.109 -9.637 1.00 0.00 C ATOM 652 C PRO A 58 -34.317 -6.382 -9.966 1.00 0.00 C ATOM 653 O PRO A 58 -34.740 -7.535 -10.051 1.00 0.00 O ATOM 654 CB PRO A 58 -32.006 -5.994 -10.919 1.00 0.00 C ATOM 655 CG PRO A 58 -30.708 -6.660 -10.596 1.00 0.00 C ATOM 656 CD PRO A 58 -31.040 -7.764 -9.596 1.00 0.00 C ATOM 0 HA PRO A 58 -32.862 -5.190 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.499 -6.481 -11.760 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -31.854 -4.951 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -30.247 -7.072 -11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -29.999 -5.949 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -31.256 -8.708 -10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -30.212 -7.948 -8.911 1.00 0.00 H new ATOM 664 N THR A 59 -35.084 -5.314 -10.145 1.00 0.00 N ATOM 665 CA THR A 59 -36.498 -5.450 -10.464 1.00 0.00 C ATOM 666 C THR A 59 -36.681 -6.234 -11.762 1.00 0.00 C ATOM 667 O THR A 59 -35.794 -6.977 -12.183 1.00 0.00 O ATOM 668 CB THR A 59 -37.146 -4.058 -10.591 1.00 0.00 C ATOM 669 OG1 THR A 59 -36.373 -3.114 -9.866 1.00 0.00 O ATOM 670 CG2 THR A 59 -38.577 -4.086 -10.035 1.00 0.00 C ATOM 0 H THR A 59 -34.754 -4.352 -10.075 1.00 0.00 H new ATOM 0 HA THR A 59 -36.985 -5.997 -9.657 1.00 0.00 H new ATOM 0 HB THR A 59 -37.183 -3.775 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 59 -36.781 -2.227 -9.946 1.00 0.00 H new ATOM 0 HG21 THR A 59 -39.024 -3.096 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 59 -39.171 -4.808 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 59 -38.553 -4.373 -8.984 1.00 0.00 H new ATOM 678 N GLU A 60 -37.840 -6.057 -12.389 1.00 0.00 N ATOM 679 CA GLU A 60 -38.132 -6.744 -13.641 1.00 0.00 C ATOM 680 C GLU A 60 -37.480 -6.015 -14.806 1.00 0.00 C ATOM 681 O GLU A 60 -36.741 -6.608 -15.592 1.00 0.00 O ATOM 682 CB GLU A 60 -39.645 -6.823 -13.854 1.00 0.00 C ATOM 683 CG GLU A 60 -39.937 -7.664 -15.098 1.00 0.00 C ATOM 684 CD GLU A 60 -41.441 -7.865 -15.247 1.00 0.00 C ATOM 685 OE1 GLU A 60 -42.148 -7.636 -14.281 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.863 -8.249 -16.326 1.00 0.00 O ATOM 0 H GLU A 60 -38.587 -5.448 -12.053 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.727 -7.755 -13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -40.124 -7.266 -12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -40.060 -5.822 -13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.538 -7.170 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.438 -8.630 -15.020 1.00 0.00 H new ATOM 693 N MET A 61 -37.757 -4.723 -14.912 1.00 0.00 N ATOM 694 CA MET A 61 -37.189 -3.914 -15.988 1.00 0.00 C ATOM 695 C MET A 61 -35.761 -3.516 -15.656 1.00 0.00 C ATOM 696 O MET A 61 -35.012 -3.076 -16.528 1.00 0.00 O ATOM 697 CB MET A 61 -38.046 -2.661 -16.221 1.00 0.00 C ATOM 698 CG MET A 61 -39.417 -3.063 -16.773 1.00 0.00 C ATOM 699 SD MET A 61 -40.447 -1.588 -16.966 1.00 0.00 S ATOM 700 CE MET A 61 -41.797 -2.370 -17.886 1.00 0.00 C ATOM 0 H MET A 61 -38.367 -4.213 -14.273 1.00 0.00 H new ATOM 0 HA MET A 61 -37.181 -4.510 -16.901 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.167 -2.113 -15.286 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.545 -1.992 -16.920 1.00 0.00 H new ATOM 0 HG2 MET A 61 -39.301 -3.566 -17.733 1.00 0.00 H new ATOM 0 HG3 MET A 61 -39.899 -3.770 -16.098 1.00 0.00 H new ATOM 0 HE1 MET A 61 -42.560 -1.626 -18.115 1.00 0.00 H new ATOM 0 HE2 MET A 61 -41.409 -2.790 -18.814 1.00 0.00 H new ATOM 0 HE3 MET A 61 -42.235 -3.166 -17.283 1.00 0.00 H new ATOM 710 N GLU A 62 -35.386 -3.679 -14.394 1.00 0.00 N ATOM 711 CA GLU A 62 -34.038 -3.343 -13.967 1.00 0.00 C ATOM 712 C GLU A 62 -33.054 -4.374 -14.503 1.00 0.00 C ATOM 713 O GLU A 62 -31.996 -4.032 -15.027 1.00 0.00 O ATOM 714 CB GLU A 62 -33.970 -3.297 -12.440 1.00 0.00 C ATOM 715 CG GLU A 62 -32.668 -2.621 -12.007 1.00 0.00 C ATOM 716 CD GLU A 62 -32.718 -1.134 -12.335 1.00 0.00 C ATOM 717 OE1 GLU A 62 -33.777 -0.669 -12.725 1.00 0.00 O ATOM 718 OE2 GLU A 62 -31.698 -0.482 -12.194 1.00 0.00 O ATOM 0 H GLU A 62 -35.991 -4.038 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 62 -33.773 -2.362 -14.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -34.825 -2.750 -12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -34.021 -4.307 -12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.515 -2.761 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -31.822 -3.085 -12.514 1.00 0.00 H new ATOM 725 N LEU A 63 -33.421 -5.645 -14.377 1.00 0.00 N ATOM 726 CA LEU A 63 -32.576 -6.723 -14.859 1.00 0.00 C ATOM 727 C LEU A 63 -32.540 -6.723 -16.379 1.00 0.00 C ATOM 728 O LEU A 63 -31.610 -7.254 -16.986 1.00 0.00 O ATOM 729 CB LEU A 63 -33.093 -8.077 -14.360 1.00 0.00 C ATOM 730 CG LEU A 63 -31.994 -9.148 -14.503 1.00 0.00 C ATOM 731 CD1 LEU A 63 -30.960 -9.022 -13.372 1.00 0.00 C ATOM 732 CD2 LEU A 63 -32.631 -10.541 -14.453 1.00 0.00 C ATOM 0 H LEU A 63 -34.294 -5.949 -13.947 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.569 -6.564 -14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.400 -7.996 -13.317 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -33.975 -8.371 -14.930 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.488 -9.002 -15.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.194 -9.788 -13.493 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.497 -8.036 -13.410 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.455 -9.153 -12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -31.855 -11.300 -14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -33.145 -10.672 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -33.347 -10.643 -15.269 1.00 0.00 H new ATOM 744 N ILE A 64 -33.561 -6.128 -16.997 1.00 0.00 N ATOM 745 CA ILE A 64 -33.629 -6.074 -18.451 1.00 0.00 C ATOM 746 C ILE A 64 -32.957 -4.809 -18.965 1.00 0.00 C ATOM 747 O ILE A 64 -31.957 -4.869 -19.680 1.00 0.00 O ATOM 748 CB ILE A 64 -35.088 -6.099 -18.893 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.730 -7.416 -18.444 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.160 -5.993 -20.415 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.244 -7.340 -18.645 1.00 0.00 C ATOM 0 H ILE A 64 -34.343 -5.682 -16.517 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.108 -6.938 -18.863 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.620 -5.260 -18.445 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.318 -8.247 -19.016 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.501 -7.606 -17.395 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.203 -6.011 -20.732 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.699 -5.059 -20.737 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.630 -6.833 -20.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.701 -8.277 -18.326 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.649 -6.519 -18.054 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.463 -7.170 -19.699 1.00 0.00 H new ATOM 763 N GLU A 65 -33.512 -3.664 -18.590 1.00 0.00 N ATOM 764 CA GLU A 65 -32.959 -2.388 -19.021 1.00 0.00 C ATOM 765 C GLU A 65 -31.458 -2.358 -18.767 1.00 0.00 C ATOM 766 O GLU A 65 -30.692 -1.831 -19.574 1.00 0.00 O ATOM 767 CB GLU A 65 -33.632 -1.236 -18.262 1.00 0.00 C ATOM 768 CG GLU A 65 -33.393 0.088 -18.998 1.00 0.00 C ATOM 769 CD GLU A 65 -31.921 0.475 -18.909 1.00 0.00 C ATOM 770 OE1 GLU A 65 -31.310 0.173 -17.897 1.00 0.00 O ATOM 771 OE2 GLU A 65 -31.426 1.067 -19.853 1.00 0.00 O ATOM 0 H GLU A 65 -34.337 -3.593 -17.994 1.00 0.00 H new ATOM 0 HA GLU A 65 -33.146 -2.270 -20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.702 -1.424 -18.173 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.234 -1.175 -17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -33.690 -0.008 -20.042 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -34.011 0.873 -18.562 1.00 0.00 H new ATOM 778 N LEU A 66 -31.043 -2.929 -17.643 1.00 0.00 N ATOM 779 CA LEU A 66 -29.627 -2.955 -17.303 1.00 0.00 C ATOM 780 C LEU A 66 -28.876 -3.910 -18.223 1.00 0.00 C ATOM 781 O LEU A 66 -27.928 -3.520 -18.902 1.00 0.00 O ATOM 782 CB LEU A 66 -29.447 -3.396 -15.846 1.00 0.00 C ATOM 783 CG LEU A 66 -27.968 -3.300 -15.445 1.00 0.00 C ATOM 784 CD1 LEU A 66 -27.488 -1.837 -15.521 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.798 -3.829 -14.016 1.00 0.00 C ATOM 0 H LEU A 66 -31.657 -3.374 -16.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.222 -1.951 -17.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -30.051 -2.769 -15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.800 -4.420 -15.721 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.370 -3.899 -16.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.438 -1.783 -15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.605 -1.468 -16.540 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.081 -1.224 -14.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.749 -3.763 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.402 -3.232 -13.333 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.122 -4.869 -13.972 1.00 0.00 H new ATOM 797 N SER A 67 -29.305 -5.164 -18.235 1.00 0.00 N ATOM 798 CA SER A 67 -28.656 -6.168 -19.070 1.00 0.00 C ATOM 799 C SER A 67 -28.455 -5.621 -20.471 1.00 0.00 C ATOM 800 O SER A 67 -27.349 -5.670 -21.009 1.00 0.00 O ATOM 801 CB SER A 67 -29.523 -7.434 -19.118 1.00 0.00 C ATOM 802 OG SER A 67 -30.865 -7.060 -19.397 1.00 0.00 O ATOM 0 H SER A 67 -30.090 -5.509 -17.683 1.00 0.00 H new ATOM 0 HA SER A 67 -27.683 -6.417 -18.646 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.154 -8.115 -19.885 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.469 -7.965 -18.167 1.00 0.00 H new ATOM 0 HG SER A 67 -30.977 -6.100 -19.235 1.00 0.00 H new ATOM 808 N GLN A 68 -29.519 -5.094 -21.056 1.00 0.00 N ATOM 809 CA GLN A 68 -29.426 -4.539 -22.398 1.00 0.00 C ATOM 810 C GLN A 68 -28.441 -3.380 -22.408 1.00 0.00 C ATOM 811 O GLN A 68 -27.476 -3.380 -23.176 1.00 0.00 O ATOM 812 CB GLN A 68 -30.808 -4.053 -22.849 1.00 0.00 C ATOM 813 CG GLN A 68 -31.775 -5.240 -22.908 1.00 0.00 C ATOM 814 CD GLN A 68 -31.324 -6.227 -23.976 1.00 0.00 C ATOM 815 OE1 GLN A 68 -31.207 -5.865 -25.147 1.00 0.00 O ATOM 816 NE2 GLN A 68 -31.056 -7.459 -23.641 1.00 0.00 N ATOM 0 H GLN A 68 -30.444 -5.039 -20.631 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.075 -5.310 -23.084 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.183 -3.299 -22.157 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.737 -3.580 -23.828 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.816 -5.735 -21.938 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -32.783 -4.888 -23.129 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -31.154 -7.756 -22.670 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -30.749 -8.125 -24.350 1.00 0.00 H new ATOM 825 N GLN A 69 -28.686 -2.399 -21.539 1.00 0.00 N ATOM 826 CA GLN A 69 -27.806 -1.234 -21.438 1.00 0.00 C ATOM 827 C GLN A 69 -26.358 -1.689 -21.574 1.00 0.00 C ATOM 828 O GLN A 69 -25.584 -1.124 -22.346 1.00 0.00 O ATOM 829 CB GLN A 69 -28.011 -0.529 -20.098 1.00 0.00 C ATOM 830 CG GLN A 69 -27.088 0.687 -20.012 1.00 0.00 C ATOM 831 CD GLN A 69 -27.412 1.493 -18.763 1.00 0.00 C ATOM 832 OE1 GLN A 69 -27.535 0.934 -17.673 1.00 0.00 O ATOM 833 NE2 GLN A 69 -27.564 2.786 -18.856 1.00 0.00 N ATOM 0 H GLN A 69 -29.480 -2.387 -20.899 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.044 -0.531 -22.236 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -29.050 -0.217 -19.995 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.801 -1.216 -19.278 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.047 0.364 -19.988 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -27.208 1.309 -20.899 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -27.462 3.248 -19.760 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -27.785 3.335 -18.025 1.00 0.00 H new ATOM 842 N ILE A 70 -26.011 -2.740 -20.831 1.00 0.00 N ATOM 843 CA ILE A 70 -24.665 -3.289 -20.895 1.00 0.00 C ATOM 844 C ILE A 70 -24.408 -3.889 -22.275 1.00 0.00 C ATOM 845 O ILE A 70 -23.335 -3.719 -22.849 1.00 0.00 O ATOM 846 CB ILE A 70 -24.473 -4.364 -19.820 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.507 -3.706 -18.438 1.00 0.00 C ATOM 848 CG2 ILE A 70 -23.113 -5.057 -20.013 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.499 -4.790 -17.357 1.00 0.00 C ATOM 0 H ILE A 70 -26.638 -3.221 -20.186 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.954 -2.482 -20.717 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.271 -5.102 -19.902 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.646 -3.048 -18.315 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.398 -3.086 -18.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.982 -5.820 -19.246 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -23.078 -5.522 -20.998 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.314 -4.320 -19.932 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.523 -4.322 -16.373 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.374 -5.430 -17.477 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.595 -5.391 -17.451 1.00 0.00 H new ATOM 861 N ASN A 71 -25.400 -4.605 -22.791 1.00 0.00 N ATOM 862 CA ASN A 71 -25.257 -5.247 -24.090 1.00 0.00 C ATOM 863 C ASN A 71 -25.005 -4.216 -25.181 1.00 0.00 C ATOM 864 O ASN A 71 -24.172 -4.424 -26.064 1.00 0.00 O ATOM 865 CB ASN A 71 -26.522 -6.040 -24.419 1.00 0.00 C ATOM 866 CG ASN A 71 -26.294 -6.909 -25.653 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.443 -6.439 -26.780 1.00 0.00 O ATOM 868 ND2 ASN A 71 -25.942 -8.157 -25.504 1.00 0.00 N ATOM 0 H ASN A 71 -26.301 -4.754 -22.336 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.402 -5.922 -24.045 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.798 -6.666 -23.571 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.353 -5.357 -24.595 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.790 -8.745 -26.323 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.819 -8.544 -24.568 1.00 0.00 H new ATOM 875 N MET A 72 -25.730 -3.106 -25.121 1.00 0.00 N ATOM 876 CA MET A 72 -25.577 -2.049 -26.113 1.00 0.00 C ATOM 877 C MET A 72 -24.410 -1.134 -25.753 1.00 0.00 C ATOM 878 O MET A 72 -23.409 -1.078 -26.467 1.00 0.00 O ATOM 879 CB MET A 72 -26.872 -1.224 -26.190 1.00 0.00 C ATOM 880 CG MET A 72 -27.898 -1.952 -27.063 1.00 0.00 C ATOM 881 SD MET A 72 -28.346 -3.521 -26.282 1.00 0.00 S ATOM 882 CE MET A 72 -28.701 -4.436 -27.801 1.00 0.00 C ATOM 0 H MET A 72 -26.426 -2.915 -24.400 1.00 0.00 H new ATOM 0 HA MET A 72 -25.373 -2.508 -27.080 1.00 0.00 H new ATOM 0 HB2 MET A 72 -27.276 -1.070 -25.189 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.662 -0.238 -26.605 1.00 0.00 H new ATOM 0 HG2 MET A 72 -28.785 -1.332 -27.194 1.00 0.00 H new ATOM 0 HG3 MET A 72 -27.485 -2.132 -28.056 1.00 0.00 H new ATOM 0 HE1 MET A 72 -29.004 -5.453 -27.551 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.506 -3.941 -28.344 1.00 0.00 H new ATOM 0 HE3 MET A 72 -27.808 -4.466 -28.425 1.00 0.00 H new ATOM 892 N ASN A 73 -24.549 -0.413 -24.647 1.00 0.00 N ATOM 893 CA ASN A 73 -23.507 0.504 -24.214 1.00 0.00 C ATOM 894 C ASN A 73 -22.141 -0.160 -24.270 1.00 0.00 C ATOM 895 O ASN A 73 -21.313 0.168 -25.121 1.00 0.00 O ATOM 896 CB ASN A 73 -23.784 0.976 -22.785 1.00 0.00 C ATOM 897 CG ASN A 73 -22.925 2.193 -22.459 1.00 0.00 C ATOM 898 OD1 ASN A 73 -21.880 2.401 -23.077 1.00 0.00 O ATOM 899 ND2 ASN A 73 -23.307 3.019 -21.523 1.00 0.00 N ATOM 0 H ASN A 73 -25.367 -0.446 -24.039 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.508 1.360 -24.889 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.839 1.226 -22.674 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.571 0.172 -22.081 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.740 3.838 -21.303 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.173 2.846 -21.012 1.00 0.00 H new ATOM 906 N LEU A 74 -21.903 -1.085 -23.353 1.00 0.00 N ATOM 907 CA LEU A 74 -20.619 -1.770 -23.299 1.00 0.00 C ATOM 908 C LEU A 74 -20.189 -2.227 -24.689 1.00 0.00 C ATOM 909 O LEU A 74 -19.230 -1.703 -25.255 1.00 0.00 O ATOM 910 CB LEU A 74 -20.715 -2.984 -22.356 1.00 0.00 C ATOM 911 CG LEU A 74 -19.352 -3.276 -21.715 1.00 0.00 C ATOM 912 CD1 LEU A 74 -19.533 -4.278 -20.579 1.00 0.00 C ATOM 913 CD2 LEU A 74 -18.398 -3.846 -22.767 1.00 0.00 C ATOM 0 H LEU A 74 -22.574 -1.377 -22.642 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.872 -1.073 -22.919 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.455 -2.791 -21.579 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.057 -3.857 -22.912 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.930 -2.353 -21.318 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -18.566 -4.488 -20.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -20.206 -3.861 -19.830 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -19.956 -5.202 -20.973 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -17.431 -4.052 -22.308 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -18.812 -4.770 -23.171 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -18.270 -3.123 -23.572 1.00 0.00 H new ATOM 925 N GLY A 75 -20.902 -3.201 -25.232 1.00 0.00 N ATOM 926 CA GLY A 75 -20.580 -3.720 -26.555 1.00 0.00 C ATOM 927 C GLY A 75 -21.167 -5.112 -26.756 1.00 0.00 C ATOM 928 O GLY A 75 -21.396 -5.537 -27.887 1.00 0.00 O ATOM 0 H GLY A 75 -21.702 -3.646 -24.782 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.967 -3.045 -27.318 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.498 -3.756 -26.681 1.00 0.00 H new ATOM 932 N GLY A 76 -21.411 -5.819 -25.653 1.00 0.00 N ATOM 933 CA GLY A 76 -21.976 -7.173 -25.716 1.00 0.00 C ATOM 934 C GLY A 76 -21.054 -8.181 -25.044 1.00 0.00 C ATOM 935 O GLY A 76 -21.025 -9.354 -25.416 1.00 0.00 O ATOM 0 H GLY A 76 -21.228 -5.482 -24.708 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.952 -7.187 -25.230 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.134 -7.457 -26.756 1.00 0.00 H new ATOM 939 N HIS A 77 -20.301 -7.718 -24.055 1.00 0.00 N ATOM 940 CA HIS A 77 -19.384 -8.591 -23.339 1.00 0.00 C ATOM 941 C HIS A 77 -19.003 -7.987 -21.996 1.00 0.00 C ATOM 942 O HIS A 77 -18.883 -6.768 -21.864 1.00 0.00 O ATOM 943 CB HIS A 77 -18.117 -8.808 -24.167 1.00 0.00 C ATOM 944 CG HIS A 77 -17.491 -7.476 -24.483 1.00 0.00 C ATOM 945 ND1 HIS A 77 -16.275 -7.083 -23.946 1.00 0.00 N ATOM 946 CD2 HIS A 77 -17.901 -6.436 -25.281 1.00 0.00 C ATOM 947 CE1 HIS A 77 -15.997 -5.856 -24.423 1.00 0.00 C ATOM 948 NE2 HIS A 77 -16.956 -5.414 -25.242 1.00 0.00 N ATOM 0 H HIS A 77 -20.307 -6.750 -23.733 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.884 -9.545 -23.171 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.412 -9.432 -23.617 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -18.358 -9.337 -25.089 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.817 -6.414 -25.852 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -15.107 -5.297 -24.174 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -16.989 -4.520 -25.733 1.00 0.00 H new ATOM 956 N VAL A 78 -18.792 -8.845 -21.004 1.00 0.00 N ATOM 957 CA VAL A 78 -18.402 -8.391 -19.666 1.00 0.00 C ATOM 958 C VAL A 78 -17.219 -9.220 -19.162 1.00 0.00 C ATOM 959 O VAL A 78 -17.228 -10.448 -19.244 1.00 0.00 O ATOM 960 CB VAL A 78 -19.603 -8.500 -18.692 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.122 -8.817 -17.265 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.383 -7.181 -18.679 1.00 0.00 C ATOM 0 H VAL A 78 -18.883 -9.857 -21.096 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.098 -7.345 -19.717 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.248 -9.309 -19.035 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -19.982 -8.889 -16.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.583 -9.764 -17.265 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.460 -8.023 -16.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.226 -7.263 -17.993 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.727 -6.374 -18.353 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.751 -6.966 -19.682 1.00 0.00 H new ATOM 972 N ASP A 79 -16.209 -8.534 -18.627 1.00 0.00 N ATOM 973 CA ASP A 79 -15.023 -9.199 -18.092 1.00 0.00 C ATOM 974 C ASP A 79 -15.098 -9.289 -16.582 1.00 0.00 C ATOM 975 O ASP A 79 -15.776 -8.493 -15.929 1.00 0.00 O ATOM 976 CB ASP A 79 -13.774 -8.424 -18.499 1.00 0.00 C ATOM 977 CG ASP A 79 -12.533 -9.252 -18.199 1.00 0.00 C ATOM 978 OD1 ASP A 79 -12.670 -10.450 -18.022 1.00 0.00 O ATOM 979 OD2 ASP A 79 -11.459 -8.674 -18.148 1.00 0.00 O ATOM 0 H ASP A 79 -16.189 -7.517 -18.553 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.976 -10.209 -18.499 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.814 -8.184 -19.561 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.730 -7.478 -17.960 1.00 0.00 H new ATOM 984 N PHE A 80 -14.399 -10.272 -16.029 1.00 0.00 N ATOM 985 CA PHE A 80 -14.395 -10.470 -14.592 1.00 0.00 C ATOM 986 C PHE A 80 -14.188 -9.139 -13.884 1.00 0.00 C ATOM 987 O PHE A 80 -14.566 -8.978 -12.724 1.00 0.00 O ATOM 988 CB PHE A 80 -13.278 -11.447 -14.196 1.00 0.00 C ATOM 989 CG PHE A 80 -13.173 -11.526 -12.686 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.286 -11.908 -11.929 1.00 0.00 C ATOM 991 CD2 PHE A 80 -11.967 -11.214 -12.044 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.196 -11.978 -10.536 1.00 0.00 C ATOM 993 CE2 PHE A 80 -11.877 -11.287 -10.648 1.00 0.00 C ATOM 994 CZ PHE A 80 -12.992 -11.670 -9.895 1.00 0.00 C ATOM 0 H PHE A 80 -13.832 -10.939 -16.553 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.356 -10.889 -14.293 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.485 -12.435 -14.607 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.329 -11.118 -14.619 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.216 -12.149 -12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.107 -10.917 -12.626 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.057 -12.270 -9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.947 -11.048 -10.153 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.923 -11.728 -8.819 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.578 -8.190 -14.584 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.322 -6.880 -14.001 1.00 0.00 C ATOM 1006 C ASP A 81 -14.609 -6.073 -13.949 1.00 0.00 C ATOM 1007 O ASP A 81 -14.981 -5.542 -12.903 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.274 -6.132 -14.831 1.00 0.00 C ATOM 1009 CG ASP A 81 -10.904 -6.781 -14.658 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -10.761 -7.582 -13.749 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.019 -6.466 -15.436 1.00 0.00 O ATOM 0 H ASP A 81 -13.255 -8.301 -15.545 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.944 -7.014 -12.987 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.559 -6.141 -15.883 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.232 -5.088 -14.521 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.292 -5.998 -15.086 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.543 -5.264 -15.159 1.00 0.00 C ATOM 1018 C ASP A 82 -17.590 -5.930 -14.278 1.00 0.00 C ATOM 1019 O ASP A 82 -18.370 -5.258 -13.611 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.036 -5.197 -16.603 1.00 0.00 C ATOM 1021 CG ASP A 82 -18.362 -4.447 -16.672 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -18.882 -4.099 -15.623 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -18.838 -4.236 -17.771 1.00 0.00 O ATOM 0 H ASP A 82 -15.001 -6.434 -15.961 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.374 -4.248 -14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.294 -4.697 -17.226 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.159 -6.205 -17.000 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.590 -7.257 -14.272 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.537 -8.005 -13.455 1.00 0.00 C ATOM 1030 C PHE A 83 -18.337 -7.657 -11.983 1.00 0.00 C ATOM 1031 O PHE A 83 -19.297 -7.403 -11.256 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.332 -9.508 -13.674 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.159 -10.284 -12.673 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.556 -10.224 -12.720 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.525 -11.059 -11.690 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.320 -10.939 -11.790 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.289 -11.773 -10.762 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.684 -11.714 -10.811 1.00 0.00 C ATOM 0 H PHE A 83 -16.951 -7.834 -14.819 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.553 -7.739 -13.745 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.621 -9.781 -14.689 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.278 -9.761 -13.564 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.045 -9.626 -13.474 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.447 -11.104 -11.650 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.398 -10.893 -11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.800 -12.371 -10.007 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.273 -12.266 -10.094 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.081 -7.645 -11.556 1.00 0.00 N ATOM 1049 CA VAL A 84 -16.757 -7.316 -10.175 1.00 0.00 C ATOM 1050 C VAL A 84 -17.059 -5.847 -9.890 1.00 0.00 C ATOM 1051 O VAL A 84 -17.629 -5.508 -8.853 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.278 -7.605 -9.899 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -14.877 -7.007 -8.541 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.055 -9.116 -9.862 1.00 0.00 C ATOM 0 H VAL A 84 -16.274 -7.858 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.371 -7.933 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.672 -7.159 -10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.824 -7.215 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.037 -5.929 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.485 -7.453 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.003 -9.324 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.665 -9.555 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.337 -9.549 -10.822 1.00 0.00 H new ATOM 1064 N GLU A 85 -16.664 -4.983 -10.818 1.00 0.00 N ATOM 1065 CA GLU A 85 -16.884 -3.553 -10.653 1.00 0.00 C ATOM 1066 C GLU A 85 -18.370 -3.252 -10.573 1.00 0.00 C ATOM 1067 O GLU A 85 -18.815 -2.482 -9.720 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.261 -2.792 -11.827 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.423 -1.285 -11.606 1.00 0.00 C ATOM 1070 CD GLU A 85 -15.735 -0.515 -12.727 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.367 -1.139 -13.708 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -15.587 0.688 -12.588 1.00 0.00 O ATOM 0 H GLU A 85 -16.194 -5.245 -11.685 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.412 -3.231 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.205 -3.045 -11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.741 -3.087 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.481 -1.026 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.995 -1.002 -10.644 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.136 -3.866 -11.460 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.577 -3.665 -11.475 1.00 0.00 C ATOM 1081 C LEU A 86 -21.202 -4.225 -10.203 1.00 0.00 C ATOM 1082 O LEU A 86 -22.116 -3.631 -9.631 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.197 -4.348 -12.701 1.00 0.00 C ATOM 1084 CG LEU A 86 -22.721 -4.138 -12.707 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -23.047 -2.636 -12.759 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -23.324 -4.841 -13.925 1.00 0.00 C ATOM 0 H LEU A 86 -18.787 -4.504 -12.175 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.775 -2.594 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.762 -3.940 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -20.969 -5.414 -12.688 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.146 -4.558 -11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.128 -2.498 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.621 -2.141 -11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.623 -2.203 -13.665 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -24.404 -4.694 -13.932 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -22.895 -4.423 -14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.103 -5.907 -13.876 1.00 0.00 H new ATOM 1098 N MET A 87 -20.705 -5.377 -9.773 1.00 0.00 N ATOM 1099 CA MET A 87 -21.226 -6.018 -8.575 1.00 0.00 C ATOM 1100 C MET A 87 -21.048 -5.104 -7.372 1.00 0.00 C ATOM 1101 O MET A 87 -21.950 -4.968 -6.544 1.00 0.00 O ATOM 1102 CB MET A 87 -20.492 -7.341 -8.328 1.00 0.00 C ATOM 1103 CG MET A 87 -21.084 -8.052 -7.107 1.00 0.00 C ATOM 1104 SD MET A 87 -22.803 -8.516 -7.451 1.00 0.00 S ATOM 1105 CE MET A 87 -22.702 -10.236 -6.897 1.00 0.00 C ATOM 0 H MET A 87 -19.948 -5.883 -10.232 1.00 0.00 H new ATOM 0 HA MET A 87 -22.288 -6.217 -8.718 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.574 -7.981 -9.206 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.430 -7.153 -8.169 1.00 0.00 H new ATOM 0 HG2 MET A 87 -20.497 -8.939 -6.870 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.040 -7.399 -6.236 1.00 0.00 H new ATOM 0 HE1 MET A 87 -23.672 -10.717 -7.024 1.00 0.00 H new ATOM 0 HE2 MET A 87 -21.954 -10.765 -7.488 1.00 0.00 H new ATOM 0 HE3 MET A 87 -22.419 -10.263 -5.845 1.00 0.00 H new ATOM 1115 N GLY A 88 -19.883 -4.480 -7.280 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.601 -3.577 -6.174 1.00 0.00 C ATOM 1117 C GLY A 88 -19.502 -4.339 -4.854 1.00 0.00 C ATOM 1118 O GLY A 88 -19.777 -5.539 -4.797 1.00 0.00 O ATOM 0 H GLY A 88 -19.123 -4.581 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.667 -3.047 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.387 -2.825 -6.105 1.00 0.00 H new