USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 52 THR OG1 : rot 16:sc= 1.61! USER MOD Set 1.2: A 71 TYR OH : rot -80:sc= 0.994 USER MOD Set 1.3: A 75 HIS : no HD1:sc= 0 X(o=2.6,f=2.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.0271 (180deg=-0.178) USER MOD Single : A 13 GLN : amide:sc= -0.971 K(o=-0.97,f=-5.9!) USER MOD Single : A 14 GLN : amide:sc= -8.39! C(o=-8.4!,f=-18!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 23 THR OG1 : rot 179:sc= -5.68! USER MOD Single : A 24 ASN : amide:sc= -1.9! C(o=-1.9!,f=-5.1!) USER MOD Single : A 25 ASN : amide:sc=-0.00808 X(o=-0.0081,f=-0.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 54:sc= 0.411 USER MOD Single : A 39 THR OG1 : rot 177:sc= -0.22 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -22:sc= -0.294! USER MOD Single : A 64 THR OG1 : rot -92:sc= 1.08 USER MOD Single : A 66 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.1!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.786 -10.226 -5.854 1.00 0.00 N ATOM 27 CA ILE A 3 -2.097 -9.559 -4.763 1.00 0.00 C ATOM 28 C ILE A 3 -2.501 -8.084 -4.736 1.00 0.00 C ATOM 29 O ILE A 3 -2.916 -7.569 -3.699 1.00 0.00 O ATOM 30 CB ILE A 3 -0.586 -9.781 -4.868 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.037 -9.975 -3.484 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.082 -8.643 -5.644 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.420 -8.631 -2.862 1.00 0.00 C ATOM 0 HA ILE A 3 -2.394 -9.989 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.413 -10.699 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.668 -10.493 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.921 -10.608 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.155 -8.825 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.335 -8.595 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.098 -7.698 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.860 -8.797 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.143 -8.126 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.470 -8.010 -2.760 1.00 0.00 H new ATOM 45 N GLU A 4 -2.366 -7.445 -5.889 1.00 0.00 N ATOM 46 CA GLU A 4 -2.712 -6.039 -6.011 1.00 0.00 C ATOM 47 C GLU A 4 -4.222 -5.849 -5.850 1.00 0.00 C ATOM 48 O GLU A 4 -4.685 -4.745 -5.565 1.00 0.00 O ATOM 49 CB GLU A 4 -2.227 -5.468 -7.345 1.00 0.00 C ATOM 50 CG GLU A 4 -3.188 -5.829 -8.479 1.00 0.00 C ATOM 51 CD GLU A 4 -2.658 -5.335 -9.826 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.444 -5.135 -9.979 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.557 -5.159 -10.734 1.00 0.00 O ATOM 0 H GLU A 4 -2.022 -7.875 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.209 -5.491 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.139 -4.384 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.233 -5.854 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.326 -6.910 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.166 -5.388 -8.285 1.00 0.00 H new ATOM 61 N GLU A 5 -4.948 -6.941 -6.041 1.00 0.00 N ATOM 62 CA GLU A 5 -6.395 -6.908 -5.920 1.00 0.00 C ATOM 63 C GLU A 5 -6.802 -6.660 -4.466 1.00 0.00 C ATOM 64 O GLU A 5 -7.885 -6.141 -4.200 1.00 0.00 O ATOM 65 CB GLU A 5 -7.019 -8.200 -6.451 1.00 0.00 C ATOM 66 CG GLU A 5 -6.410 -9.425 -5.767 1.00 0.00 C ATOM 67 CD GLU A 5 -7.217 -10.686 -6.079 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.511 -11.475 -5.169 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.542 -10.832 -7.319 1.00 0.00 O ATOM 0 H GLU A 5 -4.561 -7.854 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.771 -6.085 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.096 -8.183 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.865 -8.266 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.380 -9.557 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.379 -9.266 -4.689 1.00 0.00 H new ATOM 77 N ARG A 6 -5.911 -7.042 -3.563 1.00 0.00 N ATOM 78 CA ARG A 6 -6.163 -6.868 -2.143 1.00 0.00 C ATOM 79 C ARG A 6 -5.388 -5.661 -1.610 1.00 0.00 C ATOM 80 O ARG A 6 -5.820 -5.012 -0.659 1.00 0.00 O ATOM 81 CB ARG A 6 -5.757 -8.114 -1.354 1.00 0.00 C ATOM 82 CG ARG A 6 -6.570 -9.332 -1.797 1.00 0.00 C ATOM 83 CD ARG A 6 -5.667 -10.552 -1.993 1.00 0.00 C ATOM 84 NE ARG A 6 -4.970 -10.875 -0.728 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.474 -11.682 0.230 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.686 -12.257 0.073 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.765 -11.901 1.321 1.00 0.00 N ATOM 0 H ARG A 6 -5.013 -7.471 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.233 -6.703 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.694 -8.310 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.908 -7.939 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.333 -9.556 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.091 -9.107 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.261 -11.406 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.938 -10.353 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.051 -10.462 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.227 -12.083 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.060 -12.865 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.850 -11.463 1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.132 -12.508 2.054 1.00 0.00 H new ATOM 100 N VAL A 7 -4.257 -5.396 -2.247 1.00 0.00 N ATOM 101 CA VAL A 7 -3.418 -4.279 -1.849 1.00 0.00 C ATOM 102 C VAL A 7 -4.248 -2.993 -1.862 1.00 0.00 C ATOM 103 O VAL A 7 -4.196 -2.207 -0.918 1.00 0.00 O ATOM 104 CB VAL A 7 -2.185 -4.203 -2.752 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.378 -2.934 -2.472 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.314 -5.452 -2.596 1.00 0.00 C ATOM 0 H VAL A 7 -3.902 -5.936 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.052 -4.420 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.528 -4.160 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.507 -2.905 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.001 -2.059 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.050 -2.933 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.444 -5.373 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.984 -5.539 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.892 -6.335 -2.868 1.00 0.00 H new ATOM 116 N LYS A 8 -4.994 -2.820 -2.943 1.00 0.00 N ATOM 117 CA LYS A 8 -5.834 -1.643 -3.092 1.00 0.00 C ATOM 118 C LYS A 8 -6.665 -1.451 -1.821 1.00 0.00 C ATOM 119 O LYS A 8 -6.796 -0.334 -1.324 1.00 0.00 O ATOM 120 CB LYS A 8 -6.674 -1.742 -4.366 1.00 0.00 C ATOM 121 CG LYS A 8 -6.032 -0.953 -5.509 1.00 0.00 C ATOM 122 CD LYS A 8 -5.086 -1.838 -6.323 1.00 0.00 C ATOM 123 CE LYS A 8 -5.856 -2.654 -7.363 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.174 -2.598 -8.675 1.00 0.00 N ATOM 0 H LYS A 8 -5.035 -3.475 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.221 -0.750 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.780 -2.787 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.677 -1.361 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.809 -0.551 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.483 -0.103 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.341 -1.218 -6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.546 -2.510 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.938 -3.690 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.871 -2.268 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.710 -3.157 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.118 -1.610 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.214 -2.987 -8.584 1.00 0.00 H new ATOM 137 N LYS A 9 -7.204 -2.558 -1.332 1.00 0.00 N ATOM 138 CA LYS A 9 -8.018 -2.526 -0.129 1.00 0.00 C ATOM 139 C LYS A 9 -7.163 -2.051 1.047 1.00 0.00 C ATOM 140 O LYS A 9 -7.509 -1.079 1.718 1.00 0.00 O ATOM 141 CB LYS A 9 -8.684 -3.884 0.104 1.00 0.00 C ATOM 142 CG LYS A 9 -10.205 -3.740 0.198 1.00 0.00 C ATOM 143 CD LYS A 9 -10.887 -5.109 0.195 1.00 0.00 C ATOM 144 CE LYS A 9 -11.976 -5.182 1.266 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.375 -5.189 2.618 1.00 0.00 N ATOM 0 H LYS A 9 -7.093 -3.483 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.834 -1.812 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.429 -4.563 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.300 -4.329 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.467 -3.201 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.570 -3.146 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.323 -5.300 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.146 -5.889 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.650 -4.331 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.575 -6.082 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.048 -5.602 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.503 -5.755 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.151 -4.214 2.904 1.00 0.00 H new ATOM 158 N ILE A 10 -6.064 -2.758 1.262 1.00 0.00 N ATOM 159 CA ILE A 10 -5.157 -2.420 2.346 1.00 0.00 C ATOM 160 C ILE A 10 -4.936 -0.907 2.368 1.00 0.00 C ATOM 161 O ILE A 10 -5.089 -0.268 3.408 1.00 0.00 O ATOM 162 CB ILE A 10 -3.863 -3.229 2.234 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.112 -4.707 2.540 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.767 -2.637 3.122 1.00 0.00 C ATOM 165 CD1 ILE A 10 -3.027 -5.587 1.915 1.00 0.00 C ATOM 0 H ILE A 10 -5.781 -3.564 0.704 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.594 -2.692 3.307 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.511 -3.168 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.133 -4.860 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.089 -5.002 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.858 -3.231 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.565 -1.611 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.096 -2.647 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.228 -6.633 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.025 -5.450 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.054 -5.306 2.318 1.00 0.00 H new ATOM 177 N ILE A 11 -4.580 -0.376 1.207 1.00 0.00 N ATOM 178 CA ILE A 11 -4.336 1.051 1.080 1.00 0.00 C ATOM 179 C ILE A 11 -5.669 1.799 1.147 1.00 0.00 C ATOM 180 O ILE A 11 -5.723 2.937 1.611 1.00 0.00 O ATOM 181 CB ILE A 11 -3.528 1.345 -0.185 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.313 0.421 -0.288 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.131 2.822 -0.251 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.536 0.388 1.029 1.00 0.00 C ATOM 0 H ILE A 11 -4.455 -0.908 0.346 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.727 1.410 1.910 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.161 1.142 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.639 -0.586 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.660 0.762 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.557 3.004 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.029 3.440 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.524 3.075 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.678 -0.276 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.191 1.393 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.185 0.024 1.825 1.00 0.00 H new ATOM 196 N GLY A 12 -6.711 1.130 0.676 1.00 0.00 N ATOM 197 CA GLY A 12 -8.040 1.718 0.676 1.00 0.00 C ATOM 198 C GLY A 12 -8.566 1.883 2.103 1.00 0.00 C ATOM 199 O GLY A 12 -9.475 2.676 2.346 1.00 0.00 O ATOM 0 H GLY A 12 -6.662 0.186 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.012 2.688 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.721 1.087 0.104 1.00 0.00 H new ATOM 203 N GLN A 13 -7.972 1.122 3.011 1.00 0.00 N ATOM 204 CA GLN A 13 -8.369 1.174 4.407 1.00 0.00 C ATOM 205 C GLN A 13 -7.245 1.769 5.257 1.00 0.00 C ATOM 206 O GLN A 13 -7.426 2.805 5.896 1.00 0.00 O ATOM 207 CB GLN A 13 -8.766 -0.213 4.917 1.00 0.00 C ATOM 208 CG GLN A 13 -10.273 -0.293 5.170 1.00 0.00 C ATOM 209 CD GLN A 13 -10.706 0.722 6.230 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.928 1.533 6.703 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.988 0.631 6.574 1.00 0.00 N ATOM 0 H GLN A 13 -7.218 0.466 2.806 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.243 1.820 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.475 -0.969 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.227 -0.434 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.812 -0.106 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.538 -1.299 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.584 -0.072 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.374 1.264 7.274 1.00 0.00 H new ATOM 220 N GLN A 14 -6.108 1.089 5.238 1.00 0.00 N ATOM 221 CA GLN A 14 -4.954 1.537 5.999 1.00 0.00 C ATOM 222 C GLN A 14 -4.855 3.063 5.962 1.00 0.00 C ATOM 223 O GLN A 14 -5.066 3.727 6.976 1.00 0.00 O ATOM 224 CB GLN A 14 -3.669 0.891 5.477 1.00 0.00 C ATOM 225 CG GLN A 14 -3.614 -0.594 5.843 1.00 0.00 C ATOM 226 CD GLN A 14 -3.795 -0.794 7.349 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.860 -0.715 8.129 1.00 0.00 O ATOM 228 NE2 GLN A 14 -5.047 -1.058 7.713 1.00 0.00 N ATOM 0 H GLN A 14 -5.961 0.230 4.707 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.083 1.226 7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.614 1.005 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.803 1.405 5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.393 -1.134 5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.659 -1.015 5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.783 -1.110 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.271 -1.208 8.697 1.00 0.00 H new ATOM 237 N LEU A 15 -4.533 3.575 4.783 1.00 0.00 N ATOM 238 CA LEU A 15 -4.402 5.011 4.601 1.00 0.00 C ATOM 239 C LEU A 15 -5.715 5.692 4.994 1.00 0.00 C ATOM 240 O LEU A 15 -5.710 6.690 5.713 1.00 0.00 O ATOM 241 CB LEU A 15 -3.946 5.331 3.176 1.00 0.00 C ATOM 242 CG LEU A 15 -2.844 4.435 2.608 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.093 5.140 1.477 1.00 0.00 C ATOM 244 CD2 LEU A 15 -1.900 3.959 3.713 1.00 0.00 C ATOM 0 H LEU A 15 -4.359 3.021 3.944 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.627 5.409 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.812 5.271 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.597 6.363 3.151 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.312 3.548 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.315 4.481 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.790 5.387 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.638 6.055 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.126 3.324 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.436 4.821 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.464 3.392 4.454 1.00 0.00 H new ATOM 256 N GLY A 16 -6.808 5.124 4.506 1.00 0.00 N ATOM 257 CA GLY A 16 -8.126 5.664 4.797 1.00 0.00 C ATOM 258 C GLY A 16 -8.681 6.432 3.596 1.00 0.00 C ATOM 259 O GLY A 16 -8.456 7.635 3.466 1.00 0.00 O ATOM 0 H GLY A 16 -6.808 4.295 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.805 4.853 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.069 6.325 5.662 1.00 0.00 H new ATOM 263 N VAL A 17 -9.395 5.707 2.748 1.00 0.00 N ATOM 264 CA VAL A 17 -9.984 6.305 1.562 1.00 0.00 C ATOM 265 C VAL A 17 -11.177 5.461 1.109 1.00 0.00 C ATOM 266 O VAL A 17 -11.616 4.564 1.827 1.00 0.00 O ATOM 267 CB VAL A 17 -8.920 6.469 0.475 1.00 0.00 C ATOM 268 CG1 VAL A 17 -7.842 7.465 0.909 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.303 5.119 0.105 1.00 0.00 C ATOM 0 H VAL A 17 -9.579 4.710 2.859 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.359 7.304 1.784 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.407 6.870 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.098 7.563 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.299 8.436 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.360 7.106 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.550 5.263 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.837 4.678 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.082 4.452 -0.266 1.00 0.00 H new ATOM 279 N LYS A 18 -11.668 5.778 -0.080 1.00 0.00 N ATOM 280 CA LYS A 18 -12.801 5.060 -0.637 1.00 0.00 C ATOM 281 C LYS A 18 -12.316 3.740 -1.242 1.00 0.00 C ATOM 282 O LYS A 18 -11.129 3.425 -1.182 1.00 0.00 O ATOM 283 CB LYS A 18 -13.563 5.945 -1.625 1.00 0.00 C ATOM 284 CG LYS A 18 -14.321 7.055 -0.894 1.00 0.00 C ATOM 285 CD LYS A 18 -13.401 8.240 -0.591 1.00 0.00 C ATOM 286 CE LYS A 18 -14.074 9.564 -0.957 1.00 0.00 C ATOM 287 NZ LYS A 18 -13.075 10.655 -1.014 1.00 0.00 N ATOM 0 H LYS A 18 -11.302 6.523 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.515 4.809 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.865 6.385 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.264 5.337 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.161 7.389 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.736 6.665 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.140 8.241 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.470 8.135 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.574 9.470 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.842 9.804 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.549 11.547 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.616 10.755 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.357 10.431 -1.733 1.00 0.00 H new ATOM 300 N GLN A 19 -13.260 3.005 -1.810 1.00 0.00 N ATOM 301 CA GLN A 19 -12.944 1.727 -2.425 1.00 0.00 C ATOM 302 C GLN A 19 -13.185 1.790 -3.935 1.00 0.00 C ATOM 303 O GLN A 19 -13.593 0.802 -4.544 1.00 0.00 O ATOM 304 CB GLN A 19 -13.754 0.596 -1.787 1.00 0.00 C ATOM 305 CG GLN A 19 -15.231 0.976 -1.675 1.00 0.00 C ATOM 306 CD GLN A 19 -16.128 -0.248 -1.873 1.00 0.00 C ATOM 307 OE1 GLN A 19 -16.813 -0.700 -0.970 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.086 -0.757 -3.101 1.00 0.00 N ATOM 0 H GLN A 19 -14.244 3.270 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.889 1.515 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.652 -0.310 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.356 0.372 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.423 1.418 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.473 1.733 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.491 -0.329 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.649 -1.575 -3.334 1.00 0.00 H new ATOM 317 N GLU A 20 -12.923 2.961 -4.495 1.00 0.00 N ATOM 318 CA GLU A 20 -13.106 3.166 -5.922 1.00 0.00 C ATOM 319 C GLU A 20 -11.986 4.046 -6.480 1.00 0.00 C ATOM 320 O GLU A 20 -11.383 3.717 -7.500 1.00 0.00 O ATOM 321 CB GLU A 20 -14.479 3.773 -6.217 1.00 0.00 C ATOM 322 CG GLU A 20 -15.230 2.949 -7.265 1.00 0.00 C ATOM 323 CD GLU A 20 -16.280 2.051 -6.607 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.877 2.437 -5.591 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.467 0.915 -7.188 1.00 0.00 O ATOM 0 H GLU A 20 -12.585 3.778 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.060 2.196 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.064 3.820 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.359 4.797 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.713 3.616 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.524 2.338 -7.827 1.00 0.00 H new ATOM 333 N GLU A 21 -11.742 5.149 -5.787 1.00 0.00 N ATOM 334 CA GLU A 21 -10.705 6.079 -6.201 1.00 0.00 C ATOM 335 C GLU A 21 -9.323 5.453 -6.007 1.00 0.00 C ATOM 336 O GLU A 21 -8.316 6.020 -6.428 1.00 0.00 O ATOM 337 CB GLU A 21 -10.820 7.401 -5.440 1.00 0.00 C ATOM 338 CG GLU A 21 -11.879 8.307 -6.071 1.00 0.00 C ATOM 339 CD GLU A 21 -11.256 9.611 -6.573 1.00 0.00 C ATOM 340 OE1 GLU A 21 -10.460 9.593 -7.524 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.627 10.672 -5.939 1.00 0.00 O ATOM 0 H GLU A 21 -12.245 5.419 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.839 6.295 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.078 7.204 -4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.856 7.909 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.361 7.787 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.656 8.529 -5.339 1.00 0.00 H new ATOM 349 N VAL A 22 -9.318 4.291 -5.370 1.00 0.00 N ATOM 350 CA VAL A 22 -8.076 3.582 -5.115 1.00 0.00 C ATOM 351 C VAL A 22 -7.561 2.978 -6.424 1.00 0.00 C ATOM 352 O VAL A 22 -7.734 1.786 -6.672 1.00 0.00 O ATOM 353 CB VAL A 22 -8.285 2.538 -4.017 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.262 1.406 -4.134 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.232 3.183 -2.630 1.00 0.00 C ATOM 0 H VAL A 22 -10.155 3.823 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.312 4.269 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.278 2.107 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.433 0.678 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.368 0.919 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.256 1.814 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.383 2.419 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.260 3.653 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.015 3.937 -2.549 1.00 0.00 H new ATOM 365 N THR A 23 -6.939 3.829 -7.226 1.00 0.00 N ATOM 366 CA THR A 23 -6.398 3.394 -8.503 1.00 0.00 C ATOM 367 C THR A 23 -5.009 2.781 -8.313 1.00 0.00 C ATOM 368 O THR A 23 -4.777 2.046 -7.354 1.00 0.00 O ATOM 369 CB THR A 23 -6.408 4.593 -9.454 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.300 5.382 -9.029 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.619 5.502 -9.236 1.00 0.00 C ATOM 0 H THR A 23 -6.797 4.817 -7.017 1.00 0.00 H new ATOM 0 HA THR A 23 -7.009 2.606 -8.943 1.00 0.00 H new ATOM 0 HB THR A 23 -6.401 4.239 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.221 6.172 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.578 6.337 -9.936 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.535 4.934 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.609 5.883 -8.215 1.00 0.00 H new ATOM 379 N ASN A 24 -4.121 3.107 -9.241 1.00 0.00 N ATOM 380 CA ASN A 24 -2.762 2.597 -9.188 1.00 0.00 C ATOM 381 C ASN A 24 -1.784 3.772 -9.127 1.00 0.00 C ATOM 382 O ASN A 24 -1.062 3.934 -8.144 1.00 0.00 O ATOM 383 CB ASN A 24 -2.433 1.773 -10.434 1.00 0.00 C ATOM 384 CG ASN A 24 -3.212 2.280 -11.649 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.428 2.389 -11.638 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.448 2.584 -12.694 1.00 0.00 N ATOM 0 H ASN A 24 -4.317 3.718 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.673 1.965 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.363 1.825 -10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.673 0.725 -10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.874 2.932 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.436 2.469 -12.636 1.00 0.00 H new ATOM 393 N ASN A 25 -1.791 4.562 -10.191 1.00 0.00 N ATOM 394 CA ASN A 25 -0.913 5.717 -10.271 1.00 0.00 C ATOM 395 C ASN A 25 -1.339 6.750 -9.225 1.00 0.00 C ATOM 396 O ASN A 25 -0.620 7.714 -8.971 1.00 0.00 O ATOM 397 CB ASN A 25 -0.996 6.378 -11.649 1.00 0.00 C ATOM 398 CG ASN A 25 0.313 7.091 -11.995 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.393 6.530 -11.923 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.155 8.357 -12.372 1.00 0.00 N ATOM 0 H ASN A 25 -2.391 4.425 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 25 0.108 5.377 -10.095 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.215 5.624 -12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.819 7.093 -11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.968 8.920 -12.623 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.779 8.765 -12.410 1.00 0.00 H new ATOM 407 N ALA A 26 -2.508 6.512 -8.648 1.00 0.00 N ATOM 408 CA ALA A 26 -3.039 7.409 -7.636 1.00 0.00 C ATOM 409 C ALA A 26 -1.993 7.607 -6.536 1.00 0.00 C ATOM 410 O ALA A 26 -1.764 6.711 -5.725 1.00 0.00 O ATOM 411 CB ALA A 26 -4.355 6.847 -7.094 1.00 0.00 C ATOM 0 H ALA A 26 -3.102 5.711 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.255 8.387 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.753 7.520 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.073 6.753 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.177 5.867 -6.652 1.00 0.00 H new ATOM 417 N SER A 27 -1.386 8.785 -6.546 1.00 0.00 N ATOM 418 CA SER A 27 -0.370 9.111 -5.560 1.00 0.00 C ATOM 419 C SER A 27 -1.031 9.605 -4.271 1.00 0.00 C ATOM 420 O SER A 27 -1.105 10.808 -4.029 1.00 0.00 O ATOM 421 CB SER A 27 0.600 10.165 -6.096 1.00 0.00 C ATOM 422 OG SER A 27 0.938 9.934 -7.461 1.00 0.00 O ATOM 0 H SER A 27 -1.578 9.525 -7.221 1.00 0.00 H new ATOM 0 HA SER A 27 0.200 8.207 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.153 11.154 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.508 10.163 -5.492 1.00 0.00 H new ATOM 0 HG SER A 27 1.558 10.629 -7.767 1.00 0.00 H new ATOM 428 N PHE A 28 -1.495 8.650 -3.478 1.00 0.00 N ATOM 429 CA PHE A 28 -2.147 8.973 -2.221 1.00 0.00 C ATOM 430 C PHE A 28 -1.438 10.131 -1.517 1.00 0.00 C ATOM 431 O PHE A 28 -2.088 11.029 -0.982 1.00 0.00 O ATOM 432 CB PHE A 28 -2.060 7.726 -1.338 1.00 0.00 C ATOM 433 CG PHE A 28 -3.246 6.771 -1.491 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.458 6.132 -2.672 1.00 0.00 C ATOM 435 CD2 PHE A 28 -4.089 6.562 -0.444 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.558 5.246 -2.813 1.00 0.00 C ATOM 437 CE2 PHE A 28 -5.190 5.676 -0.585 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.401 5.037 -1.767 1.00 0.00 C ATOM 0 H PHE A 28 -1.432 7.653 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.179 9.271 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.141 7.189 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.988 8.036 -0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.789 6.299 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.921 7.070 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.725 4.738 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.859 5.510 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.238 4.363 -1.875 1.00 0.00 H new ATOM 448 N VAL A 29 -0.115 10.075 -1.540 1.00 0.00 N ATOM 449 CA VAL A 29 0.689 11.108 -0.910 1.00 0.00 C ATOM 450 C VAL A 29 0.054 12.475 -1.174 1.00 0.00 C ATOM 451 O VAL A 29 -0.720 12.972 -0.357 1.00 0.00 O ATOM 452 CB VAL A 29 2.136 11.017 -1.401 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.951 10.059 -0.530 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.190 10.602 -2.872 1.00 0.00 C ATOM 0 H VAL A 29 0.421 9.330 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 29 0.716 10.965 0.170 1.00 0.00 H new ATOM 0 HB VAL A 29 2.582 12.008 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.975 10.013 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.953 10.416 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.506 9.065 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.229 10.545 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.718 9.627 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.661 11.338 -3.477 1.00 0.00 H new ATOM 464 N GLU A 30 0.403 13.043 -2.319 1.00 0.00 N ATOM 465 CA GLU A 30 -0.124 14.342 -2.701 1.00 0.00 C ATOM 466 C GLU A 30 -1.577 14.211 -3.161 1.00 0.00 C ATOM 467 O GLU A 30 -2.452 14.930 -2.680 1.00 0.00 O ATOM 468 CB GLU A 30 0.739 14.986 -3.787 1.00 0.00 C ATOM 469 CG GLU A 30 0.141 16.318 -4.245 1.00 0.00 C ATOM 470 CD GLU A 30 -0.930 16.099 -5.316 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.128 16.245 -5.032 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.480 15.765 -6.477 1.00 0.00 O ATOM 0 H GLU A 30 1.044 12.627 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.097 14.994 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.748 15.148 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.824 14.310 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.294 16.838 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.930 16.958 -4.640 1.00 0.00 H new ATOM 480 N ASP A 31 -1.790 13.288 -4.088 1.00 0.00 N ATOM 481 CA ASP A 31 -3.122 13.054 -4.619 1.00 0.00 C ATOM 482 C ASP A 31 -4.139 13.112 -3.477 1.00 0.00 C ATOM 483 O ASP A 31 -5.039 13.950 -3.485 1.00 0.00 O ATOM 484 CB ASP A 31 -3.220 11.672 -5.269 1.00 0.00 C ATOM 485 CG ASP A 31 -4.365 11.509 -6.271 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.530 11.328 -5.886 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.018 11.576 -7.512 1.00 0.00 O ATOM 0 H ASP A 31 -1.062 12.694 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.327 13.820 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.279 11.458 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.335 10.925 -4.484 1.00 0.00 H new ATOM 493 N LEU A 32 -3.961 12.211 -2.523 1.00 0.00 N ATOM 494 CA LEU A 32 -4.852 12.149 -1.376 1.00 0.00 C ATOM 495 C LEU A 32 -4.195 12.852 -0.187 1.00 0.00 C ATOM 496 O LEU A 32 -4.185 14.080 -0.115 1.00 0.00 O ATOM 497 CB LEU A 32 -5.256 10.702 -1.089 1.00 0.00 C ATOM 498 CG LEU A 32 -6.218 10.062 -2.093 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.781 8.637 -2.438 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.659 10.112 -1.580 1.00 0.00 C ATOM 0 H LEU A 32 -3.213 11.517 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.781 12.679 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.352 10.095 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.715 10.663 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.185 10.641 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.481 8.205 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.783 8.658 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.767 8.031 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.322 9.651 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.728 9.571 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.955 11.150 -1.426 1.00 0.00 H new ATOM 512 N GLY A 33 -3.663 12.043 0.717 1.00 0.00 N ATOM 513 CA GLY A 33 -3.005 12.572 1.900 1.00 0.00 C ATOM 514 C GLY A 33 -2.553 11.442 2.827 1.00 0.00 C ATOM 515 O GLY A 33 -3.315 10.992 3.681 1.00 0.00 O ATOM 0 H GLY A 33 -3.674 11.025 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.144 13.171 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.686 13.235 2.434 1.00 0.00 H new ATOM 519 N ALA A 34 -1.314 11.015 2.628 1.00 0.00 N ATOM 520 CA ALA A 34 -0.751 9.947 3.435 1.00 0.00 C ATOM 521 C ALA A 34 -0.153 10.539 4.712 1.00 0.00 C ATOM 522 O ALA A 34 0.992 10.251 5.057 1.00 0.00 O ATOM 523 CB ALA A 34 0.281 9.174 2.612 1.00 0.00 C ATOM 0 H ALA A 34 -0.684 11.390 1.919 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.527 9.241 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.703 8.373 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.201 8.748 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.077 9.850 2.299 1.00 0.00 H new ATOM 529 N ASP A 35 -0.954 11.357 5.380 1.00 0.00 N ATOM 530 CA ASP A 35 -0.518 11.993 6.611 1.00 0.00 C ATOM 531 C ASP A 35 -1.293 11.399 7.789 1.00 0.00 C ATOM 532 O ASP A 35 -1.635 12.110 8.733 1.00 0.00 O ATOM 533 CB ASP A 35 -0.786 13.498 6.579 1.00 0.00 C ATOM 534 CG ASP A 35 -1.953 13.928 5.687 1.00 0.00 C ATOM 535 OD1 ASP A 35 -1.801 14.079 4.465 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.071 14.113 6.303 1.00 0.00 O ATOM 0 H ASP A 35 -1.903 11.594 5.091 1.00 0.00 H new ATOM 0 HA ASP A 35 0.553 11.820 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.981 13.839 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.117 14.006 6.240 1.00 0.00 H new ATOM 542 N SER A 36 -1.549 10.103 7.695 1.00 0.00 N ATOM 543 CA SER A 36 -2.278 9.406 8.741 1.00 0.00 C ATOM 544 C SER A 36 -2.337 7.909 8.429 1.00 0.00 C ATOM 545 O SER A 36 -2.913 7.503 7.420 1.00 0.00 O ATOM 546 CB SER A 36 -3.691 9.971 8.898 1.00 0.00 C ATOM 547 OG SER A 36 -3.806 10.811 10.043 1.00 0.00 O ATOM 0 H SER A 36 -1.265 9.517 6.910 1.00 0.00 H new ATOM 0 HA SER A 36 -1.750 9.554 9.683 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.956 10.537 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.403 9.150 8.978 1.00 0.00 H new ATOM 0 HG SER A 36 -3.120 11.510 10.006 1.00 0.00 H new ATOM 553 N LEU A 37 -1.734 7.129 9.314 1.00 0.00 N ATOM 554 CA LEU A 37 -1.711 5.686 9.146 1.00 0.00 C ATOM 555 C LEU A 37 -1.508 5.352 7.667 1.00 0.00 C ATOM 556 O LEU A 37 -2.154 4.450 7.136 1.00 0.00 O ATOM 557 CB LEU A 37 -2.967 5.056 9.752 1.00 0.00 C ATOM 558 CG LEU A 37 -4.221 5.932 9.759 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.488 5.077 9.793 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.178 6.940 10.909 1.00 0.00 C ATOM 0 H LEU A 37 -1.258 7.469 10.149 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.871 5.253 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.191 4.141 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.745 4.766 10.779 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.244 6.503 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.364 5.725 9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.517 4.434 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.488 4.461 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.081 7.551 10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.119 6.407 11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.304 7.582 10.798 1.00 0.00 H new ATOM 572 N ASP A 38 -0.607 6.097 7.043 1.00 0.00 N ATOM 573 CA ASP A 38 -0.311 5.892 5.636 1.00 0.00 C ATOM 574 C ASP A 38 0.584 4.660 5.482 1.00 0.00 C ATOM 575 O ASP A 38 0.090 3.546 5.319 1.00 0.00 O ATOM 576 CB ASP A 38 0.433 7.093 5.048 1.00 0.00 C ATOM 577 CG ASP A 38 1.299 7.867 6.044 1.00 0.00 C ATOM 578 OD1 ASP A 38 0.798 8.403 7.044 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.556 7.910 5.756 1.00 0.00 O ATOM 0 H ASP A 38 -0.072 6.844 7.487 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.256 5.760 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.067 6.745 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.297 7.777 4.615 1.00 0.00 H new ATOM 585 N THR A 39 1.886 4.903 5.539 1.00 0.00 N ATOM 586 CA THR A 39 2.854 3.828 5.409 1.00 0.00 C ATOM 587 C THR A 39 2.781 2.894 6.618 1.00 0.00 C ATOM 588 O THR A 39 2.644 1.681 6.464 1.00 0.00 O ATOM 589 CB THR A 39 4.234 4.456 5.209 1.00 0.00 C ATOM 590 OG1 THR A 39 4.454 5.200 6.405 1.00 0.00 O ATOM 591 CG2 THR A 39 4.242 5.515 4.105 1.00 0.00 C ATOM 0 H THR A 39 2.292 5.829 5.673 1.00 0.00 H new ATOM 0 HA THR A 39 2.636 3.203 4.543 1.00 0.00 H new ATOM 0 HB THR A 39 4.956 3.675 4.968 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.349 5.598 6.383 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.246 5.928 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.941 5.059 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.545 6.313 4.361 1.00 0.00 H new ATOM 599 N VAL A 40 2.874 3.494 7.795 1.00 0.00 N ATOM 600 CA VAL A 40 2.820 2.732 9.031 1.00 0.00 C ATOM 601 C VAL A 40 1.794 1.606 8.886 1.00 0.00 C ATOM 602 O VAL A 40 2.159 0.454 8.657 1.00 0.00 O ATOM 603 CB VAL A 40 2.523 3.663 10.208 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.465 2.883 11.523 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.552 4.793 10.286 1.00 0.00 C ATOM 0 H VAL A 40 2.987 4.500 7.919 1.00 0.00 H new ATOM 0 HA VAL A 40 3.785 2.269 9.236 1.00 0.00 H new ATOM 0 HB VAL A 40 1.544 4.112 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.253 3.568 12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.678 2.131 11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.423 2.393 11.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.318 5.440 11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.548 4.370 10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.524 5.375 9.365 1.00 0.00 H new ATOM 615 N GLU A 41 0.530 1.979 9.026 1.00 0.00 N ATOM 616 CA GLU A 41 -0.551 1.015 8.913 1.00 0.00 C ATOM 617 C GLU A 41 -0.323 0.100 7.708 1.00 0.00 C ATOM 618 O GLU A 41 -0.346 -1.123 7.839 1.00 0.00 O ATOM 619 CB GLU A 41 -1.906 1.720 8.818 1.00 0.00 C ATOM 620 CG GLU A 41 -2.827 1.294 9.963 1.00 0.00 C ATOM 621 CD GLU A 41 -2.508 2.072 11.241 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.357 2.483 11.446 1.00 0.00 O ATOM 623 OE2 GLU A 41 -3.508 2.246 12.037 1.00 0.00 O ATOM 0 H GLU A 41 0.231 2.935 9.217 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.560 0.401 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.761 2.800 8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.376 1.486 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.866 1.462 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.715 0.225 10.146 1.00 0.00 H new ATOM 631 N LEU A 42 -0.108 0.727 6.561 1.00 0.00 N ATOM 632 CA LEU A 42 0.124 -0.015 5.334 1.00 0.00 C ATOM 633 C LEU A 42 1.077 -1.177 5.618 1.00 0.00 C ATOM 634 O LEU A 42 0.873 -2.287 5.129 1.00 0.00 O ATOM 635 CB LEU A 42 0.608 0.921 4.225 1.00 0.00 C ATOM 636 CG LEU A 42 1.216 0.245 2.994 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.326 1.228 1.827 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.562 -0.399 3.331 1.00 0.00 C ATOM 0 H LEU A 42 -0.090 1.741 6.456 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.807 -0.448 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.234 1.533 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.351 1.598 4.647 1.00 0.00 H new ATOM 0 HG LEU A 42 0.547 -0.555 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.761 0.722 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.334 1.598 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.962 2.065 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.972 -0.872 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.253 0.366 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.422 -1.150 4.108 1.00 0.00 H new ATOM 650 N VAL A 43 2.099 -0.882 6.408 1.00 0.00 N ATOM 651 CA VAL A 43 3.085 -1.888 6.764 1.00 0.00 C ATOM 652 C VAL A 43 2.374 -3.104 7.362 1.00 0.00 C ATOM 653 O VAL A 43 2.440 -4.200 6.810 1.00 0.00 O ATOM 654 CB VAL A 43 4.133 -1.286 7.702 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.326 -2.229 7.869 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.586 0.089 7.208 1.00 0.00 C ATOM 0 H VAL A 43 2.266 0.040 6.812 1.00 0.00 H new ATOM 0 HA VAL A 43 3.620 -2.228 5.878 1.00 0.00 H new ATOM 0 HB VAL A 43 3.671 -1.155 8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.056 -1.777 8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.985 -3.176 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.788 -2.407 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.331 0.494 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.022 -0.007 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.729 0.761 7.165 1.00 0.00 H new ATOM 666 N MET A 44 1.711 -2.867 8.485 1.00 0.00 N ATOM 667 CA MET A 44 0.988 -3.929 9.165 1.00 0.00 C ATOM 668 C MET A 44 0.118 -4.716 8.183 1.00 0.00 C ATOM 669 O MET A 44 0.230 -5.938 8.091 1.00 0.00 O ATOM 670 CB MET A 44 0.105 -3.326 10.259 1.00 0.00 C ATOM 671 CG MET A 44 0.956 -2.703 11.368 1.00 0.00 C ATOM 672 SD MET A 44 1.959 -3.957 12.146 1.00 0.00 S ATOM 673 CE MET A 44 3.044 -2.927 13.120 1.00 0.00 C ATOM 0 H MET A 44 1.659 -1.956 8.941 1.00 0.00 H new ATOM 0 HA MET A 44 1.714 -4.612 9.606 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.548 -2.568 9.827 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.538 -4.099 10.680 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.593 -1.922 10.953 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.312 -2.229 12.109 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.741 -3.555 13.674 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.601 -2.260 12.462 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.453 -2.336 13.820 1.00 0.00 H new ATOM 683 N ALA A 45 -0.728 -3.984 7.473 1.00 0.00 N ATOM 684 CA ALA A 45 -1.616 -4.599 6.501 1.00 0.00 C ATOM 685 C ALA A 45 -0.789 -5.408 5.501 1.00 0.00 C ATOM 686 O ALA A 45 -0.897 -6.632 5.448 1.00 0.00 O ATOM 687 CB ALA A 45 -2.457 -3.516 5.822 1.00 0.00 C ATOM 0 H ALA A 45 -0.817 -2.971 7.551 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.305 -5.287 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.123 -3.977 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.048 -2.990 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.800 -2.808 5.317 1.00 0.00 H new ATOM 693 N LEU A 46 0.018 -4.692 4.732 1.00 0.00 N ATOM 694 CA LEU A 46 0.863 -5.328 3.736 1.00 0.00 C ATOM 695 C LEU A 46 1.701 -6.419 4.407 1.00 0.00 C ATOM 696 O LEU A 46 2.195 -7.326 3.739 1.00 0.00 O ATOM 697 CB LEU A 46 1.696 -4.282 2.993 1.00 0.00 C ATOM 698 CG LEU A 46 0.921 -3.335 2.075 1.00 0.00 C ATOM 699 CD1 LEU A 46 1.853 -2.666 1.064 1.00 0.00 C ATOM 700 CD2 LEU A 46 -0.239 -4.063 1.391 1.00 0.00 C ATOM 0 H LEU A 46 0.105 -3.677 4.779 1.00 0.00 H new ATOM 0 HA LEU A 46 0.254 -5.816 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.232 -3.684 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.446 -4.801 2.396 1.00 0.00 H new ATOM 0 HG LEU A 46 0.489 -2.543 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.276 -1.998 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.614 -2.093 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.334 -3.429 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.774 -3.368 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.150 -4.888 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.921 -4.453 2.147 1.00 0.00 H new ATOM 712 N GLU A 47 1.835 -6.295 5.719 1.00 0.00 N ATOM 713 CA GLU A 47 2.605 -7.258 6.487 1.00 0.00 C ATOM 714 C GLU A 47 1.766 -8.508 6.764 1.00 0.00 C ATOM 715 O GLU A 47 2.213 -9.627 6.517 1.00 0.00 O ATOM 716 CB GLU A 47 3.114 -6.640 7.790 1.00 0.00 C ATOM 717 CG GLU A 47 4.465 -5.952 7.580 1.00 0.00 C ATOM 718 CD GLU A 47 5.489 -6.428 8.612 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.851 -5.667 9.522 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.911 -7.636 8.446 1.00 0.00 O ATOM 0 H GLU A 47 1.423 -5.542 6.270 1.00 0.00 H new ATOM 0 HA GLU A 47 3.475 -7.550 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.388 -5.917 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.211 -7.415 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.832 -6.162 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.343 -4.872 7.656 1.00 0.00 H new ATOM 728 N GLU A 48 0.565 -8.274 7.273 1.00 0.00 N ATOM 729 CA GLU A 48 -0.340 -9.367 7.587 1.00 0.00 C ATOM 730 C GLU A 48 -0.520 -10.273 6.367 1.00 0.00 C ATOM 731 O GLU A 48 -0.673 -11.485 6.508 1.00 0.00 O ATOM 732 CB GLU A 48 -1.688 -8.837 8.080 1.00 0.00 C ATOM 733 CG GLU A 48 -1.940 -9.249 9.532 1.00 0.00 C ATOM 734 CD GLU A 48 -2.790 -10.520 9.601 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.574 -10.793 8.681 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.612 -11.238 10.659 1.00 0.00 O ATOM 0 H GLU A 48 0.198 -7.344 7.476 1.00 0.00 H new ATOM 0 HA GLU A 48 0.098 -9.957 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.708 -7.750 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.488 -9.219 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.989 -9.416 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.444 -8.440 10.061 1.00 0.00 H new ATOM 744 N GLU A 49 -0.496 -9.650 5.198 1.00 0.00 N ATOM 745 CA GLU A 49 -0.655 -10.385 3.955 1.00 0.00 C ATOM 746 C GLU A 49 0.632 -11.139 3.616 1.00 0.00 C ATOM 747 O GLU A 49 0.704 -12.356 3.778 1.00 0.00 O ATOM 748 CB GLU A 49 -1.061 -9.451 2.813 1.00 0.00 C ATOM 749 CG GLU A 49 -2.344 -9.937 2.137 1.00 0.00 C ATOM 750 CD GLU A 49 -3.548 -9.105 2.584 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.375 -8.059 3.226 1.00 0.00 O ATOM 752 OE2 GLU A 49 -4.697 -9.581 2.240 1.00 0.00 O ATOM 0 H GLU A 49 -0.369 -8.644 5.085 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.456 -11.113 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.209 -8.442 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.257 -9.397 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.235 -9.874 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.512 -10.986 2.380 1.00 0.00 H new ATOM 760 N PHE A 50 1.617 -10.384 3.151 1.00 0.00 N ATOM 761 CA PHE A 50 2.898 -10.966 2.788 1.00 0.00 C ATOM 762 C PHE A 50 3.809 -11.092 4.010 1.00 0.00 C ATOM 763 O PHE A 50 4.349 -12.165 4.278 1.00 0.00 O ATOM 764 CB PHE A 50 3.549 -10.019 1.777 1.00 0.00 C ATOM 765 CG PHE A 50 3.662 -10.598 0.366 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.548 -11.029 -0.284 1.00 0.00 C ATOM 767 CD2 PHE A 50 4.878 -10.682 -0.239 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.653 -11.566 -1.594 1.00 0.00 C ATOM 769 CE2 PHE A 50 4.983 -11.220 -1.549 1.00 0.00 C ATOM 770 CZ PHE A 50 3.869 -11.650 -2.199 1.00 0.00 C ATOM 0 H PHE A 50 1.554 -9.375 3.017 1.00 0.00 H new ATOM 0 HA PHE A 50 2.750 -11.964 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.971 -9.096 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.545 -9.755 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.583 -10.963 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.763 -10.340 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.768 -11.908 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.948 -11.288 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.949 -12.058 -3.196 1.00 0.00 H new ATOM 780 N ASP A 51 3.953 -9.982 4.719 1.00 0.00 N ATOM 781 CA ASP A 51 4.789 -9.955 5.907 1.00 0.00 C ATOM 782 C ASP A 51 6.244 -9.717 5.496 1.00 0.00 C ATOM 783 O ASP A 51 7.052 -10.644 5.495 1.00 0.00 O ATOM 784 CB ASP A 51 4.722 -11.286 6.658 1.00 0.00 C ATOM 785 CG ASP A 51 4.997 -11.196 8.160 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.150 -11.042 8.591 1.00 0.00 O ATOM 787 OD2 ASP A 51 3.953 -11.291 8.912 1.00 0.00 O ATOM 0 H ASP A 51 3.504 -9.094 4.493 1.00 0.00 H new ATOM 0 HA ASP A 51 4.428 -9.157 6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.733 -11.720 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.441 -11.974 6.213 1.00 0.00 H new ATOM 793 N THR A 52 6.532 -8.469 5.156 1.00 0.00 N ATOM 794 CA THR A 52 7.875 -8.097 4.744 1.00 0.00 C ATOM 795 C THR A 52 8.295 -6.788 5.414 1.00 0.00 C ATOM 796 O THR A 52 9.321 -6.207 5.062 1.00 0.00 O ATOM 797 CB THR A 52 7.899 -8.032 3.215 1.00 0.00 C ATOM 798 OG1 THR A 52 9.077 -7.287 2.918 1.00 0.00 O ATOM 799 CG2 THR A 52 6.764 -7.178 2.647 1.00 0.00 C ATOM 0 H THR A 52 5.859 -7.703 5.157 1.00 0.00 H new ATOM 0 HA THR A 52 8.607 -8.839 5.064 1.00 0.00 H new ATOM 0 HB THR A 52 7.832 -9.041 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.654 -7.258 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.828 -7.165 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.805 -7.599 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.849 -6.160 3.027 1.00 0.00 H new ATOM 807 N GLU A 53 7.481 -6.361 6.368 1.00 0.00 N ATOM 808 CA GLU A 53 7.755 -5.130 7.091 1.00 0.00 C ATOM 809 C GLU A 53 8.303 -4.066 6.138 1.00 0.00 C ATOM 810 O GLU A 53 9.499 -3.781 6.143 1.00 0.00 O ATOM 811 CB GLU A 53 8.722 -5.379 8.250 1.00 0.00 C ATOM 812 CG GLU A 53 9.678 -6.530 7.929 1.00 0.00 C ATOM 813 CD GLU A 53 10.601 -6.823 9.113 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.292 -7.694 9.939 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.674 -6.109 9.157 1.00 0.00 O ATOM 0 H GLU A 53 6.631 -6.845 6.657 1.00 0.00 H new ATOM 0 HA GLU A 53 6.820 -4.764 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.293 -4.473 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.159 -5.610 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.106 -7.424 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.274 -6.278 7.052 1.00 0.00 H new ATOM 823 N ILE A 54 7.401 -3.507 5.344 1.00 0.00 N ATOM 824 CA ILE A 54 7.779 -2.481 4.388 1.00 0.00 C ATOM 825 C ILE A 54 8.281 -1.248 5.142 1.00 0.00 C ATOM 826 O ILE A 54 7.507 -0.570 5.817 1.00 0.00 O ATOM 827 CB ILE A 54 6.622 -2.187 3.431 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.891 -0.919 2.618 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.293 -2.114 4.185 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.324 -0.905 2.082 1.00 0.00 C ATOM 0 H ILE A 54 6.409 -3.746 5.344 1.00 0.00 H new ATOM 0 HA ILE A 54 8.600 -2.829 3.761 1.00 0.00 H new ATOM 0 HB ILE A 54 6.546 -3.012 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.188 -0.859 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.723 -0.041 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.487 -1.904 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.103 -3.066 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.341 -1.320 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.489 0.007 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.025 -0.940 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.481 -1.772 1.440 1.00 0.00 H new ATOM 842 N PRO A 55 9.609 -0.987 4.999 1.00 0.00 N ATOM 843 CA PRO A 55 10.223 0.152 5.659 1.00 0.00 C ATOM 844 C PRO A 55 9.855 1.459 4.952 1.00 0.00 C ATOM 845 O PRO A 55 9.727 1.493 3.730 1.00 0.00 O ATOM 846 CB PRO A 55 11.715 -0.136 5.634 1.00 0.00 C ATOM 847 CG PRO A 55 11.918 -1.191 4.559 1.00 0.00 C ATOM 848 CD PRO A 55 10.556 -1.768 4.208 1.00 0.00 C ATOM 0 HA PRO A 55 9.873 0.284 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.283 0.766 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.060 -0.495 6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.385 -0.752 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.585 -1.976 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.350 -1.678 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.499 -2.828 4.455 1.00 0.00 H new ATOM 856 N ASP A 56 9.695 2.502 5.753 1.00 0.00 N ATOM 857 CA ASP A 56 9.345 3.808 5.220 1.00 0.00 C ATOM 858 C ASP A 56 10.356 4.202 4.142 1.00 0.00 C ATOM 859 O ASP A 56 10.002 4.858 3.163 1.00 0.00 O ATOM 860 CB ASP A 56 9.379 4.877 6.314 1.00 0.00 C ATOM 861 CG ASP A 56 8.717 6.205 5.941 1.00 0.00 C ATOM 862 OD1 ASP A 56 7.483 6.308 5.875 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.535 7.175 5.709 1.00 0.00 O ATOM 0 H ASP A 56 9.801 2.470 6.767 1.00 0.00 H new ATOM 0 HA ASP A 56 8.337 3.745 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.889 4.481 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.418 5.069 6.582 1.00 0.00 H new ATOM 869 N GLU A 57 11.596 3.786 4.358 1.00 0.00 N ATOM 870 CA GLU A 57 12.661 4.088 3.417 1.00 0.00 C ATOM 871 C GLU A 57 12.287 3.599 2.017 1.00 0.00 C ATOM 872 O GLU A 57 12.678 4.203 1.019 1.00 0.00 O ATOM 873 CB GLU A 57 13.987 3.476 3.875 1.00 0.00 C ATOM 874 CG GLU A 57 14.084 2.007 3.462 1.00 0.00 C ATOM 875 CD GLU A 57 15.248 1.313 4.173 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.118 0.728 3.511 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.230 1.398 5.460 1.00 0.00 O ATOM 0 H GLU A 57 11.886 3.242 5.171 1.00 0.00 H new ATOM 0 HA GLU A 57 12.791 5.170 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.818 4.034 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.075 3.560 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.151 1.496 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.219 1.937 2.383 1.00 0.00 H new ATOM 885 N GLU A 58 11.533 2.510 1.987 1.00 0.00 N ATOM 886 CA GLU A 58 11.101 1.934 0.725 1.00 0.00 C ATOM 887 C GLU A 58 9.599 2.148 0.530 1.00 0.00 C ATOM 888 O GLU A 58 9.055 1.833 -0.528 1.00 0.00 O ATOM 889 CB GLU A 58 11.456 0.447 0.651 1.00 0.00 C ATOM 890 CG GLU A 58 12.505 0.187 -0.432 1.00 0.00 C ATOM 891 CD GLU A 58 13.166 -1.179 -0.239 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.526 -2.216 -0.468 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.391 -1.139 0.164 1.00 0.00 O ATOM 0 H GLU A 58 11.210 2.011 2.816 1.00 0.00 H new ATOM 0 HA GLU A 58 11.629 2.441 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.834 0.111 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.559 -0.135 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.037 0.233 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.264 0.969 -0.404 1.00 0.00 H new ATOM 901 N ALA A 59 8.970 2.683 1.566 1.00 0.00 N ATOM 902 CA ALA A 59 7.541 2.944 1.522 1.00 0.00 C ATOM 903 C ALA A 59 7.306 4.449 1.382 1.00 0.00 C ATOM 904 O ALA A 59 6.164 4.907 1.405 1.00 0.00 O ATOM 905 CB ALA A 59 6.877 2.363 2.772 1.00 0.00 C ATOM 0 H ALA A 59 9.424 2.943 2.442 1.00 0.00 H new ATOM 0 HA ALA A 59 7.088 2.458 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.805 2.559 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.048 1.287 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.304 2.829 3.660 1.00 0.00 H new ATOM 911 N GLU A 60 8.404 5.177 1.239 1.00 0.00 N ATOM 912 CA GLU A 60 8.331 6.621 1.096 1.00 0.00 C ATOM 913 C GLU A 60 8.516 7.018 -0.370 1.00 0.00 C ATOM 914 O GLU A 60 7.900 7.973 -0.841 1.00 0.00 O ATOM 915 CB GLU A 60 9.365 7.313 1.986 1.00 0.00 C ATOM 916 CG GLU A 60 9.158 8.829 1.990 1.00 0.00 C ATOM 917 CD GLU A 60 10.391 9.549 2.541 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.350 9.794 1.795 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.328 9.857 3.792 1.00 0.00 O ATOM 0 H GLU A 60 9.349 4.794 1.219 1.00 0.00 H new ATOM 0 HA GLU A 60 7.344 6.950 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.289 6.929 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.369 7.080 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.953 9.174 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.286 9.079 2.594 1.00 0.00 H new ATOM 927 N LYS A 61 9.368 6.265 -1.051 1.00 0.00 N ATOM 928 CA LYS A 61 9.642 6.527 -2.454 1.00 0.00 C ATOM 929 C LYS A 61 8.512 5.947 -3.307 1.00 0.00 C ATOM 930 O LYS A 61 8.553 6.023 -4.534 1.00 0.00 O ATOM 931 CB LYS A 61 11.029 6.007 -2.835 1.00 0.00 C ATOM 932 CG LYS A 61 11.082 4.480 -2.761 1.00 0.00 C ATOM 933 CD LYS A 61 12.509 3.969 -2.970 1.00 0.00 C ATOM 934 CE LYS A 61 12.579 3.010 -4.160 1.00 0.00 C ATOM 935 NZ LYS A 61 13.736 3.338 -5.023 1.00 0.00 N ATOM 0 H LYS A 61 9.877 5.474 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 61 9.666 7.600 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.279 6.335 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.777 6.433 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.711 4.146 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.425 4.053 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.180 4.812 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.853 3.462 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.664 1.984 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.657 3.071 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.769 2.678 -5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.639 4.311 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.614 3.257 -4.472 1.00 0.00 H new ATOM 948 N ILE A 62 7.529 5.380 -2.623 1.00 0.00 N ATOM 949 CA ILE A 62 6.389 4.787 -3.303 1.00 0.00 C ATOM 950 C ILE A 62 5.427 5.895 -3.737 1.00 0.00 C ATOM 951 O ILE A 62 5.091 6.002 -4.915 1.00 0.00 O ATOM 952 CB ILE A 62 5.739 3.717 -2.424 1.00 0.00 C ATOM 953 CG1 ILE A 62 4.998 4.352 -1.245 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.770 2.684 -1.964 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.501 3.283 -0.270 1.00 0.00 C ATOM 0 H ILE A 62 7.498 5.318 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 62 6.710 4.271 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 62 4.998 3.187 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.660 5.044 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.153 4.935 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.281 1.935 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.213 2.199 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.551 3.181 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.978 3.761 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.820 2.607 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.350 2.718 0.115 1.00 0.00 H new ATOM 967 N THR A 63 5.012 6.690 -2.762 1.00 0.00 N ATOM 968 CA THR A 63 4.095 7.785 -3.029 1.00 0.00 C ATOM 969 C THR A 63 2.932 7.307 -3.900 1.00 0.00 C ATOM 970 O THR A 63 2.280 8.109 -4.567 1.00 0.00 O ATOM 971 CB THR A 63 4.895 8.928 -3.658 1.00 0.00 C ATOM 972 OG1 THR A 63 5.065 8.527 -5.015 1.00 0.00 O ATOM 973 CG2 THR A 63 6.322 9.014 -3.113 1.00 0.00 C ATOM 0 H THR A 63 5.294 6.598 -1.786 1.00 0.00 H new ATOM 0 HA THR A 63 3.641 8.154 -2.109 1.00 0.00 H new ATOM 0 HB THR A 63 4.381 9.872 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.960 7.555 -5.085 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.845 9.841 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.291 9.180 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.848 8.082 -3.322 1.00 0.00 H new ATOM 981 N THR A 64 2.706 6.002 -3.864 1.00 0.00 N ATOM 982 CA THR A 64 1.632 5.407 -4.641 1.00 0.00 C ATOM 983 C THR A 64 1.227 4.057 -4.045 1.00 0.00 C ATOM 984 O THR A 64 1.878 3.558 -3.129 1.00 0.00 O ATOM 985 CB THR A 64 2.096 5.314 -6.096 1.00 0.00 C ATOM 986 OG1 THR A 64 3.363 4.666 -6.015 1.00 0.00 O ATOM 987 CG2 THR A 64 2.417 6.684 -6.697 1.00 0.00 C ATOM 0 H THR A 64 3.248 5.340 -3.309 1.00 0.00 H new ATOM 0 HA THR A 64 0.733 6.023 -4.610 1.00 0.00 H new ATOM 0 HB THR A 64 1.324 4.827 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.072 5.340 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.741 6.561 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.526 7.312 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.212 7.157 -6.121 1.00 0.00 H new ATOM 995 N VAL A 65 0.153 3.504 -4.590 1.00 0.00 N ATOM 996 CA VAL A 65 -0.346 2.221 -4.124 1.00 0.00 C ATOM 997 C VAL A 65 0.326 1.098 -4.917 1.00 0.00 C ATOM 998 O VAL A 65 0.611 0.033 -4.371 1.00 0.00 O ATOM 999 CB VAL A 65 -1.873 2.188 -4.219 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.436 0.931 -3.555 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.487 3.451 -3.612 1.00 0.00 C ATOM 0 H VAL A 65 -0.385 3.921 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.095 2.073 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.143 2.158 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.523 0.932 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.036 0.047 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.151 0.917 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.573 3.402 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.204 3.525 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.122 4.327 -4.149 1.00 0.00 H new ATOM 1011 N GLN A 66 0.561 1.375 -6.191 1.00 0.00 N ATOM 1012 CA GLN A 66 1.194 0.402 -7.064 1.00 0.00 C ATOM 1013 C GLN A 66 2.562 0.001 -6.508 1.00 0.00 C ATOM 1014 O GLN A 66 2.842 -1.184 -6.333 1.00 0.00 O ATOM 1015 CB GLN A 66 1.319 0.943 -8.490 1.00 0.00 C ATOM 1016 CG GLN A 66 2.035 -0.060 -9.396 1.00 0.00 C ATOM 1017 CD GLN A 66 1.673 -1.498 -9.017 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.523 -1.835 -8.787 1.00 0.00 O ATOM 1019 NE2 GLN A 66 2.715 -2.322 -8.965 1.00 0.00 N ATOM 0 H GLN A 66 0.324 2.260 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 66 0.564 -0.487 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.328 1.157 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.868 1.885 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.764 0.125 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.113 0.080 -9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.652 -1.973 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.578 -3.303 -8.721 1.00 0.00 H new ATOM 1028 N ALA A 67 3.378 1.011 -6.246 1.00 0.00 N ATOM 1029 CA ALA A 67 4.710 0.779 -5.713 1.00 0.00 C ATOM 1030 C ALA A 67 4.651 -0.345 -4.677 1.00 0.00 C ATOM 1031 O ALA A 67 5.376 -1.333 -4.786 1.00 0.00 O ATOM 1032 CB ALA A 67 5.261 2.082 -5.130 1.00 0.00 C ATOM 0 H ALA A 67 3.143 1.993 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 67 5.390 0.463 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.260 1.908 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.310 2.839 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.606 2.429 -4.331 1.00 0.00 H new ATOM 1038 N ALA A 68 3.781 -0.156 -3.696 1.00 0.00 N ATOM 1039 CA ALA A 68 3.618 -1.142 -2.641 1.00 0.00 C ATOM 1040 C ALA A 68 3.525 -2.537 -3.262 1.00 0.00 C ATOM 1041 O ALA A 68 4.152 -3.479 -2.779 1.00 0.00 O ATOM 1042 CB ALA A 68 2.387 -0.794 -1.802 1.00 0.00 C ATOM 0 H ALA A 68 3.182 0.665 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 68 4.480 -1.135 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.265 -1.534 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.516 0.193 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.502 -0.793 -2.438 1.00 0.00 H new ATOM 1048 N ILE A 69 2.737 -2.626 -4.323 1.00 0.00 N ATOM 1049 CA ILE A 69 2.554 -3.890 -5.015 1.00 0.00 C ATOM 1050 C ILE A 69 3.854 -4.271 -5.726 1.00 0.00 C ATOM 1051 O ILE A 69 4.445 -5.309 -5.432 1.00 0.00 O ATOM 1052 CB ILE A 69 1.342 -3.820 -5.947 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.058 -3.561 -5.157 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.240 -5.080 -6.810 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.795 -2.486 -5.834 1.00 0.00 C ATOM 0 H ILE A 69 2.218 -1.843 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 69 2.335 -4.685 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 69 1.480 -2.977 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.514 -4.485 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.307 -3.247 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.370 -5.004 -7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.141 -5.180 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.136 -5.954 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.702 -2.321 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.229 -1.557 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.063 -2.813 -6.839 1.00 0.00 H new ATOM 1067 N ASP A 70 4.262 -3.411 -6.647 1.00 0.00 N ATOM 1068 CA ASP A 70 5.481 -3.644 -7.402 1.00 0.00 C ATOM 1069 C ASP A 70 6.594 -4.073 -6.444 1.00 0.00 C ATOM 1070 O ASP A 70 7.529 -4.765 -6.844 1.00 0.00 O ATOM 1071 CB ASP A 70 5.938 -2.371 -8.118 1.00 0.00 C ATOM 1072 CG ASP A 70 6.015 -2.478 -9.642 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.025 -2.816 -10.309 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.165 -2.194 -10.151 1.00 0.00 O ATOM 0 H ASP A 70 3.769 -2.551 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 70 5.277 -4.419 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.255 -1.562 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.921 -2.092 -7.738 1.00 0.00 H new ATOM 1080 N TYR A 71 6.457 -3.643 -5.198 1.00 0.00 N ATOM 1081 CA TYR A 71 7.440 -3.975 -4.180 1.00 0.00 C ATOM 1082 C TYR A 71 7.166 -5.356 -3.582 1.00 0.00 C ATOM 1083 O TYR A 71 8.075 -6.174 -3.457 1.00 0.00 O ATOM 1084 CB TYR A 71 7.285 -2.918 -3.085 1.00 0.00 C ATOM 1085 CG TYR A 71 7.655 -3.413 -1.686 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.981 -3.593 -1.346 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.664 -3.679 -0.763 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.329 -4.059 -0.029 1.00 0.00 C ATOM 1089 CE2 TYR A 71 7.013 -4.145 0.554 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.328 -4.312 0.856 1.00 0.00 C ATOM 1091 OH TYR A 71 8.657 -4.752 2.100 1.00 0.00 O ATOM 0 H TYR A 71 5.681 -3.068 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 71 8.443 -3.992 -4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.909 -2.059 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.252 -2.569 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.757 -3.384 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.627 -3.538 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.362 -4.204 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.247 -4.357 1.285 1.00 0.00 H new ATOM 0 HH TYR A 71 8.852 -5.712 2.067 1.00 0.00 H new ATOM 1101 N ILE A 72 5.907 -5.573 -3.228 1.00 0.00 N ATOM 1102 CA ILE A 72 5.502 -6.841 -2.646 1.00 0.00 C ATOM 1103 C ILE A 72 5.839 -7.974 -3.617 1.00 0.00 C ATOM 1104 O ILE A 72 5.993 -9.123 -3.206 1.00 0.00 O ATOM 1105 CB ILE A 72 4.027 -6.797 -2.240 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.830 -5.952 -0.980 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.461 -8.209 -2.079 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.530 -6.590 0.222 1.00 0.00 C ATOM 0 H ILE A 72 5.155 -4.892 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 72 6.056 -7.033 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 72 3.466 -6.315 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.224 -4.949 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.765 -5.846 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.412 -8.150 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.548 -8.746 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.020 -8.739 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.375 -5.970 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.117 -7.583 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.598 -6.672 0.020 1.00 0.00 H new ATOM 1120 N ASN A 73 5.944 -7.610 -4.887 1.00 0.00 N ATOM 1121 CA ASN A 73 6.260 -8.582 -5.920 1.00 0.00 C ATOM 1122 C ASN A 73 7.779 -8.687 -6.067 1.00 0.00 C ATOM 1123 O ASN A 73 8.335 -9.784 -6.034 1.00 0.00 O ATOM 1124 CB ASN A 73 5.682 -8.158 -7.271 1.00 0.00 C ATOM 1125 CG ASN A 73 4.507 -9.052 -7.670 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.670 -10.114 -8.249 1.00 0.00 O ATOM 1127 ND2 ASN A 73 3.317 -8.566 -7.330 1.00 0.00 N ATOM 0 H ASN A 73 5.816 -6.656 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 73 5.827 -9.538 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.353 -7.120 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.458 -8.209 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.470 -9.089 -7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.251 -7.670 -6.846 1.00 0.00 H new ATOM 1134 N GLY A 74 8.407 -7.532 -6.227 1.00 0.00 N ATOM 1135 CA GLY A 74 9.851 -7.480 -6.380 1.00 0.00 C ATOM 1136 C GLY A 74 10.547 -8.315 -5.303 1.00 0.00 C ATOM 1137 O GLY A 74 11.662 -8.792 -5.506 1.00 0.00 O ATOM 0 H GLY A 74 7.942 -6.624 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.129 -7.849 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.190 -6.446 -6.319 1.00 0.00 H new ATOM 1141 N HIS A 75 9.860 -8.466 -4.181 1.00 0.00 N ATOM 1142 CA HIS A 75 10.397 -9.235 -3.071 1.00 0.00 C ATOM 1143 C HIS A 75 10.450 -10.716 -3.451 1.00 0.00 C ATOM 1144 O HIS A 75 11.530 -11.290 -3.579 1.00 0.00 O ATOM 1145 CB HIS A 75 9.596 -8.978 -1.793 1.00 0.00 C ATOM 1146 CG HIS A 75 10.446 -8.633 -0.594 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.844 -9.575 0.339 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.970 -7.442 -0.186 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.573 -8.966 1.262 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.649 -7.644 0.936 1.00 0.00 N ATOM 0 H HIS A 75 8.935 -8.069 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 75 11.417 -8.913 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.894 -8.164 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.004 -9.864 -1.563 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.852 -6.494 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.028 -9.434 2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.146 -6.929 1.467 1.00 0.00 H new