USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 46 MET CE :methyl -163:sc= -2.89! (180deg=-4.5!) USER MOD Set 1.2: A 85 GLN : amide:sc= -2.48 X(o=-5.4,f=-5) USER MOD Single : A 3 MET CE :methyl -151:sc= -0.127 (180deg=-0.488) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.8!) USER MOD Single : A 7 GLN : amide:sc= -2.17 K(o=-2.2,f=-1.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 157:sc= -0.206 (180deg=-0.91) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 147:sc= 0.339 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -7.31! C(o=-7.3!,f=-10!) USER MOD Single : A 52 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.086) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc=-0.00558 (180deg=-0.0348) USER MOD Single : A 72 THR OG1 : rot -26:sc= 0.292 USER MOD Single : A 81 MET CE :methyl 151:sc= -2.89! (180deg=-4.5!) USER MOD Single : A 82 MET CE :methyl -170:sc= -8.94! (180deg=-9.75!) USER MOD Single : A 86 MET CE :methyl -125:sc= -0.252 (180deg=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.425 -5.809 -11.634 1.00 0.00 N ATOM 25 CA MET A 3 64.434 -5.186 -10.280 1.00 0.00 C ATOM 26 C MET A 3 63.143 -4.398 -10.053 1.00 0.00 C ATOM 27 O MET A 3 62.653 -4.296 -8.947 1.00 0.00 O ATOM 28 CB MET A 3 65.641 -4.250 -10.286 1.00 0.00 C ATOM 29 CG MET A 3 66.762 -4.857 -9.440 1.00 0.00 C ATOM 30 SD MET A 3 66.869 -3.981 -7.859 1.00 0.00 S ATOM 31 CE MET A 3 66.122 -5.272 -6.835 1.00 0.00 C ATOM 0 HA MET A 3 64.497 -5.927 -9.483 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.987 -4.092 -11.308 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.360 -3.274 -9.890 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.570 -5.916 -9.269 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.711 -4.787 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 3 65.622 -4.815 -5.981 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.395 -5.830 -7.426 1.00 0.00 H new ATOM 0 HE3 MET A 3 66.898 -5.950 -6.480 1.00 0.00 H new ATOM 41 N THR A 4 62.587 -3.841 -11.095 1.00 0.00 N ATOM 42 CA THR A 4 61.326 -3.062 -10.939 1.00 0.00 C ATOM 43 C THR A 4 60.300 -3.873 -10.143 1.00 0.00 C ATOM 44 O THR A 4 59.378 -3.332 -9.565 1.00 0.00 O ATOM 45 CB THR A 4 60.831 -2.820 -12.366 1.00 0.00 C ATOM 46 OG1 THR A 4 59.803 -1.838 -12.349 1.00 0.00 O ATOM 47 CG2 THR A 4 60.283 -4.124 -12.945 1.00 0.00 C ATOM 0 H THR A 4 62.951 -3.892 -12.046 1.00 0.00 H new ATOM 0 HA THR A 4 61.480 -2.128 -10.398 1.00 0.00 H new ATOM 0 HB THR A 4 61.658 -2.470 -12.984 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.486 -1.681 -13.263 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.930 -3.951 -13.962 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.072 -4.876 -12.958 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.455 -4.476 -12.329 1.00 0.00 H new ATOM 55 N ASP A 5 60.454 -5.170 -10.109 1.00 0.00 N ATOM 56 CA ASP A 5 59.488 -6.015 -9.349 1.00 0.00 C ATOM 57 C ASP A 5 59.785 -5.934 -7.849 1.00 0.00 C ATOM 58 O ASP A 5 58.937 -5.570 -7.058 1.00 0.00 O ATOM 59 CB ASP A 5 59.714 -7.436 -9.866 1.00 0.00 C ATOM 60 CG ASP A 5 58.364 -8.101 -10.140 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.589 -8.231 -9.207 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.129 -8.471 -11.279 1.00 0.00 O ATOM 0 H ASP A 5 61.205 -5.680 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 5 58.456 -5.692 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.311 -7.412 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.275 -8.016 -9.133 1.00 0.00 H new ATOM 67 N GLN A 6 60.983 -6.268 -7.451 1.00 0.00 N ATOM 68 CA GLN A 6 61.331 -6.207 -6.002 1.00 0.00 C ATOM 69 C GLN A 6 60.965 -4.835 -5.431 1.00 0.00 C ATOM 70 O GLN A 6 60.809 -4.670 -4.238 1.00 0.00 O ATOM 71 CB GLN A 6 62.842 -6.428 -5.949 1.00 0.00 C ATOM 72 CG GLN A 6 63.141 -7.742 -5.223 1.00 0.00 C ATOM 73 CD GLN A 6 62.380 -7.777 -3.894 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.809 -7.189 -2.921 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.262 -8.445 -3.814 1.00 0.00 N ATOM 0 H GLN A 6 61.735 -6.580 -8.066 1.00 0.00 H new ATOM 0 HA GLN A 6 60.792 -6.949 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.252 -6.457 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.324 -5.597 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.848 -8.588 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 6 64.212 -7.835 -5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.903 -8.938 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 6 60.747 -8.474 -2.934 1.00 0.00 H new ATOM 84 N GLN A 7 60.826 -3.850 -6.275 1.00 0.00 N ATOM 85 CA GLN A 7 60.466 -2.492 -5.779 1.00 0.00 C ATOM 86 C GLN A 7 59.042 -2.498 -5.216 1.00 0.00 C ATOM 87 O GLN A 7 58.836 -2.389 -4.024 1.00 0.00 O ATOM 88 CB GLN A 7 60.560 -1.583 -7.007 1.00 0.00 C ATOM 89 CG GLN A 7 60.942 -0.169 -6.567 1.00 0.00 C ATOM 90 CD GLN A 7 60.847 0.782 -7.763 1.00 0.00 C ATOM 91 OE1 GLN A 7 61.764 0.873 -8.554 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.768 1.497 -7.928 1.00 0.00 N ATOM 0 H GLN A 7 60.946 -3.927 -7.285 1.00 0.00 H new ATOM 0 HA GLN A 7 61.122 -2.156 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.302 -1.971 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.606 -1.566 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.280 0.166 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.955 -0.163 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.998 1.420 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.694 2.133 -8.722 1.00 0.00 H new ATOM 101 N ALA A 8 58.058 -2.628 -6.063 1.00 0.00 N ATOM 102 CA ALA A 8 56.649 -2.643 -5.574 1.00 0.00 C ATOM 103 C ALA A 8 56.508 -3.616 -4.402 1.00 0.00 C ATOM 104 O ALA A 8 55.723 -3.405 -3.498 1.00 0.00 O ATOM 105 CB ALA A 8 55.821 -3.117 -6.766 1.00 0.00 C ATOM 0 H ALA A 8 58.168 -2.725 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 8 56.325 -1.666 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.768 -3.155 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.950 -2.424 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.152 -4.111 -7.067 1.00 0.00 H new ATOM 111 N GLU A 9 57.260 -4.681 -4.409 1.00 0.00 N ATOM 112 CA GLU A 9 57.166 -5.668 -3.297 1.00 0.00 C ATOM 113 C GLU A 9 58.010 -5.205 -2.106 1.00 0.00 C ATOM 114 O GLU A 9 57.833 -5.659 -0.993 1.00 0.00 O ATOM 115 CB GLU A 9 57.723 -6.970 -3.873 1.00 0.00 C ATOM 116 CG GLU A 9 56.566 -7.859 -4.333 1.00 0.00 C ATOM 117 CD GLU A 9 55.648 -8.155 -3.146 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.123 -8.737 -2.186 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.485 -7.794 -3.218 1.00 0.00 O ATOM 0 H GLU A 9 57.936 -4.911 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 9 56.144 -5.786 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 9 58.386 -6.755 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.317 -7.488 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.005 -7.363 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.952 -8.790 -4.749 1.00 0.00 H new ATOM 126 N ALA A 10 58.929 -4.306 -2.332 1.00 0.00 N ATOM 127 CA ALA A 10 59.784 -3.819 -1.212 1.00 0.00 C ATOM 128 C ALA A 10 59.029 -2.776 -0.379 1.00 0.00 C ATOM 129 O ALA A 10 59.248 -2.642 0.809 1.00 0.00 O ATOM 130 CB ALA A 10 61.002 -3.189 -1.889 1.00 0.00 C ATOM 0 H ALA A 10 59.125 -3.888 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 10 60.066 -4.621 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.683 -2.805 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.515 -3.941 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.678 -2.371 -2.533 1.00 0.00 H new ATOM 136 N ARG A 11 58.143 -2.038 -0.989 1.00 0.00 N ATOM 137 CA ARG A 11 57.380 -1.008 -0.225 1.00 0.00 C ATOM 138 C ARG A 11 56.109 -1.625 0.363 1.00 0.00 C ATOM 139 O ARG A 11 55.831 -1.498 1.540 1.00 0.00 O ATOM 140 CB ARG A 11 57.016 0.074 -1.245 1.00 0.00 C ATOM 141 CG ARG A 11 58.201 0.335 -2.178 1.00 0.00 C ATOM 142 CD ARG A 11 57.820 -0.070 -3.602 1.00 0.00 C ATOM 143 NE ARG A 11 57.107 1.113 -4.159 1.00 0.00 N ATOM 144 CZ ARG A 11 56.353 0.981 -5.216 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.796 0.332 -6.257 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.155 1.499 -5.230 1.00 0.00 N ATOM 0 H ARG A 11 57.914 -2.102 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 11 57.961 -0.604 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.148 -0.239 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.740 0.993 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.477 1.389 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.071 -0.231 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.703 -0.314 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.181 -0.953 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 11 57.208 2.026 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.732 -0.073 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.206 0.229 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.809 2.006 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.565 1.397 -6.056 1.00 0.00 H new ATOM 160 N ALA A 12 55.335 -2.288 -0.450 1.00 0.00 N ATOM 161 CA ALA A 12 54.080 -2.911 0.055 1.00 0.00 C ATOM 162 C ALA A 12 54.371 -3.766 1.292 1.00 0.00 C ATOM 163 O ALA A 12 53.683 -3.682 2.291 1.00 0.00 O ATOM 164 CB ALA A 12 53.585 -3.783 -1.099 1.00 0.00 C ATOM 0 H ALA A 12 55.518 -2.426 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 12 53.340 -2.169 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.660 -4.280 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.402 -3.159 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.340 -4.532 -1.339 1.00 0.00 H new ATOM 170 N PHE A 13 55.385 -4.586 1.236 1.00 0.00 N ATOM 171 CA PHE A 13 55.714 -5.443 2.412 1.00 0.00 C ATOM 172 C PHE A 13 55.792 -4.589 3.681 1.00 0.00 C ATOM 173 O PHE A 13 55.668 -5.085 4.783 1.00 0.00 O ATOM 174 CB PHE A 13 57.080 -6.053 2.092 1.00 0.00 C ATOM 175 CG PHE A 13 57.631 -6.726 3.327 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.184 -5.954 4.356 1.00 0.00 C ATOM 177 CD2 PHE A 13 57.590 -8.121 3.442 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.694 -6.578 5.502 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.100 -8.743 4.587 1.00 0.00 C ATOM 180 CZ PHE A 13 58.652 -7.973 5.617 1.00 0.00 C ATOM 0 H PHE A 13 55.999 -4.700 0.429 1.00 0.00 H new ATOM 0 HA PHE A 13 54.959 -6.209 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.987 -6.776 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.766 -5.278 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 13 58.217 -4.878 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 13 57.165 -8.716 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.120 -5.983 6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 13 58.068 -9.819 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.045 -8.454 6.500 1.00 0.00 H new ATOM 190 N LEU A 14 55.997 -3.308 3.535 1.00 0.00 N ATOM 191 CA LEU A 14 56.081 -2.425 4.733 1.00 0.00 C ATOM 192 C LEU A 14 54.775 -1.646 4.908 1.00 0.00 C ATOM 193 O LEU A 14 54.235 -1.100 3.966 1.00 0.00 O ATOM 194 CB LEU A 14 57.240 -1.469 4.442 1.00 0.00 C ATOM 195 CG LEU A 14 58.522 -2.271 4.211 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.615 -1.344 3.677 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.981 -2.889 5.534 1.00 0.00 C ATOM 0 H LEU A 14 56.110 -2.835 2.638 1.00 0.00 H new ATOM 0 HA LEU A 14 56.240 -2.990 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.014 -0.865 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.375 -0.781 5.276 1.00 0.00 H new ATOM 0 HG LEU A 14 58.330 -3.062 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.528 -1.916 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.289 -0.902 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.808 -0.553 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.894 -3.461 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.173 -2.097 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.203 -3.550 5.916 1.00 0.00 H new ATOM 209 N SER A 15 54.262 -1.589 6.108 1.00 0.00 N ATOM 210 CA SER A 15 52.990 -0.845 6.340 1.00 0.00 C ATOM 211 C SER A 15 53.214 0.659 6.148 1.00 0.00 C ATOM 212 O SER A 15 54.330 1.114 5.997 1.00 0.00 O ATOM 213 CB SER A 15 52.613 -1.150 7.788 1.00 0.00 C ATOM 214 OG SER A 15 52.154 -2.493 7.880 1.00 0.00 O ATOM 0 H SER A 15 54.668 -2.025 6.936 1.00 0.00 H new ATOM 0 HA SER A 15 52.205 -1.140 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.475 -1.002 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.836 -0.464 8.126 1.00 0.00 H new ATOM 0 HG SER A 15 51.913 -2.693 8.808 1.00 0.00 H new ATOM 220 N GLU A 16 52.162 1.431 6.154 1.00 0.00 N ATOM 221 CA GLU A 16 52.319 2.904 5.972 1.00 0.00 C ATOM 222 C GLU A 16 53.214 3.479 7.073 1.00 0.00 C ATOM 223 O GLU A 16 54.103 4.266 6.815 1.00 0.00 O ATOM 224 CB GLU A 16 50.902 3.470 6.080 1.00 0.00 C ATOM 225 CG GLU A 16 50.852 4.851 5.423 1.00 0.00 C ATOM 226 CD GLU A 16 49.524 5.530 5.763 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.878 5.088 6.698 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.177 6.480 5.081 1.00 0.00 O ATOM 0 H GLU A 16 51.202 1.108 6.277 1.00 0.00 H new ATOM 0 HA GLU A 16 52.786 3.156 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.193 2.799 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.607 3.543 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.685 5.462 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.958 4.755 4.342 1.00 0.00 H new ATOM 235 N GLU A 17 52.987 3.092 8.298 1.00 0.00 N ATOM 236 CA GLU A 17 53.828 3.616 9.413 1.00 0.00 C ATOM 237 C GLU A 17 55.304 3.310 9.148 1.00 0.00 C ATOM 238 O GLU A 17 56.186 4.006 9.610 1.00 0.00 O ATOM 239 CB GLU A 17 53.340 2.874 10.658 1.00 0.00 C ATOM 240 CG GLU A 17 54.316 3.115 11.811 1.00 0.00 C ATOM 241 CD GLU A 17 55.102 1.832 12.090 1.00 0.00 C ATOM 242 OE1 GLU A 17 56.120 1.633 11.449 1.00 0.00 O ATOM 243 OE2 GLU A 17 54.672 1.071 12.942 1.00 0.00 O ATOM 0 H GLU A 17 52.257 2.436 8.576 1.00 0.00 H new ATOM 0 HA GLU A 17 53.743 4.697 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.343 3.219 10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.262 1.807 10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 55.000 3.926 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.772 3.422 12.704 1.00 0.00 H new ATOM 250 N MET A 18 55.578 2.274 8.406 1.00 0.00 N ATOM 251 CA MET A 18 56.997 1.921 8.109 1.00 0.00 C ATOM 252 C MET A 18 57.572 2.883 7.067 1.00 0.00 C ATOM 253 O MET A 18 58.579 3.526 7.288 1.00 0.00 O ATOM 254 CB MET A 18 56.941 0.500 7.552 1.00 0.00 C ATOM 255 CG MET A 18 58.210 -0.257 7.948 1.00 0.00 C ATOM 256 SD MET A 18 57.761 -1.727 8.903 1.00 0.00 S ATOM 257 CE MET A 18 58.925 -1.476 10.266 1.00 0.00 C ATOM 0 H MET A 18 54.881 1.655 7.991 1.00 0.00 H new ATOM 0 HA MET A 18 57.634 1.989 8.991 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.062 -0.018 7.936 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.846 0.528 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.768 -0.545 7.057 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.862 0.388 8.537 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.569 -2.004 11.151 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.905 -1.862 9.984 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.004 -0.411 10.486 1.00 0.00 H new ATOM 267 N ILE A 19 56.940 2.987 5.929 1.00 0.00 N ATOM 268 CA ILE A 19 57.450 3.907 4.874 1.00 0.00 C ATOM 269 C ILE A 19 57.865 5.242 5.499 1.00 0.00 C ATOM 270 O ILE A 19 58.951 5.736 5.269 1.00 0.00 O ATOM 271 CB ILE A 19 56.273 4.098 3.914 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.157 2.872 3.005 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.504 5.346 3.057 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.701 2.401 2.963 1.00 0.00 C ATOM 0 H ILE A 19 56.093 2.474 5.685 1.00 0.00 H new ATOM 0 HA ILE A 19 58.328 3.511 4.363 1.00 0.00 H new ATOM 0 HB ILE A 19 55.354 4.219 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.500 3.118 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.798 2.071 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.665 5.479 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.589 6.220 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.423 5.228 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.620 1.528 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.374 2.138 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.071 3.201 2.574 1.00 0.00 H new ATOM 286 N ALA A 20 57.009 5.830 6.290 1.00 0.00 N ATOM 287 CA ALA A 20 57.356 7.131 6.929 1.00 0.00 C ATOM 288 C ALA A 20 58.500 6.940 7.928 1.00 0.00 C ATOM 289 O ALA A 20 59.146 7.885 8.337 1.00 0.00 O ATOM 290 CB ALA A 20 56.082 7.571 7.652 1.00 0.00 C ATOM 0 H ALA A 20 56.085 5.466 6.521 1.00 0.00 H new ATOM 0 HA ALA A 20 57.688 7.872 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.257 8.525 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.273 7.681 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.807 6.821 8.393 1.00 0.00 H new ATOM 296 N GLU A 21 58.758 5.722 8.322 1.00 0.00 N ATOM 297 CA GLU A 21 59.861 5.471 9.293 1.00 0.00 C ATOM 298 C GLU A 21 61.181 5.253 8.549 1.00 0.00 C ATOM 299 O GLU A 21 62.221 5.732 8.955 1.00 0.00 O ATOM 300 CB GLU A 21 59.450 4.202 10.042 1.00 0.00 C ATOM 301 CG GLU A 21 60.646 3.659 10.827 1.00 0.00 C ATOM 302 CD GLU A 21 60.961 4.600 11.993 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.384 4.414 13.052 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.774 5.490 11.807 1.00 0.00 O ATOM 0 H GLU A 21 58.253 4.891 8.014 1.00 0.00 H new ATOM 0 HA GLU A 21 60.014 6.311 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.625 4.419 10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.094 3.451 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.425 2.660 11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.514 3.570 10.173 1.00 0.00 H new ATOM 311 N PHE A 22 61.146 4.532 7.461 1.00 0.00 N ATOM 312 CA PHE A 22 62.398 4.283 6.690 1.00 0.00 C ATOM 313 C PHE A 22 62.768 5.522 5.870 1.00 0.00 C ATOM 314 O PHE A 22 63.928 5.826 5.673 1.00 0.00 O ATOM 315 CB PHE A 22 62.068 3.108 5.767 1.00 0.00 C ATOM 316 CG PHE A 22 61.905 1.837 6.575 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.927 1.877 7.977 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.728 0.614 5.915 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.773 0.697 8.715 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.574 -0.565 6.654 1.00 0.00 C ATOM 321 CZ PHE A 22 61.597 -0.524 8.053 1.00 0.00 C ATOM 0 H PHE A 22 60.305 4.105 7.073 1.00 0.00 H new ATOM 0 HA PHE A 22 63.247 4.066 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.152 3.316 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.862 2.980 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.063 2.819 8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.710 0.581 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.790 0.729 9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.437 -1.507 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.479 -1.434 8.622 1.00 0.00 H new ATOM 331 N LYS A 23 61.788 6.239 5.391 1.00 0.00 N ATOM 332 CA LYS A 23 62.080 7.457 4.583 1.00 0.00 C ATOM 333 C LYS A 23 62.547 8.596 5.494 1.00 0.00 C ATOM 334 O LYS A 23 63.403 9.381 5.134 1.00 0.00 O ATOM 335 CB LYS A 23 60.751 7.811 3.912 1.00 0.00 C ATOM 336 CG LYS A 23 60.810 9.241 3.372 1.00 0.00 C ATOM 337 CD LYS A 23 59.746 10.092 4.069 1.00 0.00 C ATOM 338 CE LYS A 23 59.178 11.113 3.080 1.00 0.00 C ATOM 339 NZ LYS A 23 57.749 11.267 3.466 1.00 0.00 N ATOM 0 H LYS A 23 60.798 6.034 5.524 1.00 0.00 H new ATOM 0 HA LYS A 23 62.873 7.292 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 60.546 7.114 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.935 7.716 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 23 61.800 9.665 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.644 9.242 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 58.947 9.455 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.180 10.604 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.709 12.063 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.274 10.763 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.290 11.953 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 57.268 10.348 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.689 11.608 4.447 1.00 0.00 H new ATOM 353 N ALA A 24 61.993 8.693 6.670 1.00 0.00 N ATOM 354 CA ALA A 24 62.408 9.782 7.601 1.00 0.00 C ATOM 355 C ALA A 24 63.920 9.726 7.842 1.00 0.00 C ATOM 356 O ALA A 24 64.565 10.738 8.034 1.00 0.00 O ATOM 357 CB ALA A 24 61.647 9.507 8.898 1.00 0.00 C ATOM 0 H ALA A 24 61.272 8.067 7.028 1.00 0.00 H new ATOM 0 HA ALA A 24 62.187 10.772 7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 24 61.899 10.268 9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.575 9.532 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.923 8.524 9.281 1.00 0.00 H new ATOM 363 N ALA A 25 64.490 8.552 7.832 1.00 0.00 N ATOM 364 CA ALA A 25 65.959 8.434 8.061 1.00 0.00 C ATOM 365 C ALA A 25 66.706 8.394 6.725 1.00 0.00 C ATOM 366 O ALA A 25 67.890 8.659 6.657 1.00 0.00 O ATOM 367 CB ALA A 25 66.138 7.116 8.815 1.00 0.00 C ATOM 0 H ALA A 25 64.003 7.670 7.675 1.00 0.00 H new ATOM 0 HA ALA A 25 66.357 9.281 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 25 67.196 6.956 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.587 7.157 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.759 6.295 8.207 1.00 0.00 H new ATOM 373 N PHE A 26 66.026 8.058 5.663 1.00 0.00 N ATOM 374 CA PHE A 26 66.701 7.994 4.334 1.00 0.00 C ATOM 375 C PHE A 26 67.087 9.398 3.854 1.00 0.00 C ATOM 376 O PHE A 26 68.196 9.630 3.416 1.00 0.00 O ATOM 377 CB PHE A 26 65.666 7.375 3.394 1.00 0.00 C ATOM 378 CG PHE A 26 66.283 7.177 2.031 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.607 8.287 1.243 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.534 5.884 1.556 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.182 8.105 -0.020 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.109 5.702 0.293 1.00 0.00 C ATOM 383 CZ PHE A 26 67.434 6.812 -0.495 1.00 0.00 C ATOM 0 H PHE A 26 65.033 7.825 5.657 1.00 0.00 H new ATOM 0 HA PHE A 26 67.622 7.413 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.322 6.420 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.793 8.023 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.413 9.284 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.284 5.027 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.431 8.962 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.302 4.705 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.879 6.671 -1.469 1.00 0.00 H new ATOM 393 N ASP A 27 66.179 10.333 3.927 1.00 0.00 N ATOM 394 CA ASP A 27 66.497 11.717 3.467 1.00 0.00 C ATOM 395 C ASP A 27 67.683 12.287 4.251 1.00 0.00 C ATOM 396 O ASP A 27 68.257 13.292 3.882 1.00 0.00 O ATOM 397 CB ASP A 27 65.232 12.529 3.748 1.00 0.00 C ATOM 398 CG ASP A 27 65.013 12.627 5.259 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.887 11.589 5.887 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.977 13.737 5.761 1.00 0.00 O ATOM 0 H ASP A 27 65.233 10.200 4.284 1.00 0.00 H new ATOM 0 HA ASP A 27 66.776 11.742 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.324 13.526 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.371 12.056 3.275 1.00 0.00 H new ATOM 405 N MET A 28 68.054 11.657 5.332 1.00 0.00 N ATOM 406 CA MET A 28 69.202 12.169 6.136 1.00 0.00 C ATOM 407 C MET A 28 70.466 12.244 5.277 1.00 0.00 C ATOM 408 O MET A 28 71.377 12.995 5.563 1.00 0.00 O ATOM 409 CB MET A 28 69.382 11.149 7.260 1.00 0.00 C ATOM 410 CG MET A 28 68.170 11.203 8.192 1.00 0.00 C ATOM 411 SD MET A 28 68.678 10.755 9.871 1.00 0.00 S ATOM 412 CE MET A 28 68.284 12.337 10.656 1.00 0.00 C ATOM 0 H MET A 28 67.613 10.811 5.694 1.00 0.00 H new ATOM 0 HA MET A 28 69.020 13.174 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.490 10.148 6.844 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.294 11.363 7.818 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.738 12.204 8.186 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.397 10.520 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.524 12.286 11.718 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.869 13.130 10.190 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.222 12.549 10.533 1.00 0.00 H new ATOM 422 N PHE A 29 70.534 11.468 4.230 1.00 0.00 N ATOM 423 CA PHE A 29 71.749 11.495 3.363 1.00 0.00 C ATOM 424 C PHE A 29 71.375 11.904 1.936 1.00 0.00 C ATOM 425 O PHE A 29 72.005 11.500 0.980 1.00 0.00 O ATOM 426 CB PHE A 29 72.302 10.065 3.384 1.00 0.00 C ATOM 427 CG PHE A 29 72.122 9.461 4.758 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.112 9.630 5.733 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.960 8.739 5.056 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.939 9.075 7.007 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.788 8.184 6.329 1.00 0.00 C ATOM 432 CZ PHE A 29 71.778 8.352 7.305 1.00 0.00 C ATOM 0 H PHE A 29 69.804 10.818 3.937 1.00 0.00 H new ATOM 0 HA PHE A 29 72.485 12.216 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.788 9.457 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.358 10.071 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.008 10.188 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.196 8.610 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.702 9.205 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.892 7.626 6.559 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.646 7.924 8.288 1.00 0.00 H new ATOM 442 N ASP A 30 70.356 12.705 1.784 1.00 0.00 N ATOM 443 CA ASP A 30 69.950 13.138 0.415 1.00 0.00 C ATOM 444 C ASP A 30 71.057 13.986 -0.215 1.00 0.00 C ATOM 445 O ASP A 30 71.008 15.200 -0.196 1.00 0.00 O ATOM 446 CB ASP A 30 68.685 13.970 0.620 1.00 0.00 C ATOM 447 CG ASP A 30 67.507 13.293 -0.083 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.582 13.120 -1.288 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.550 12.961 0.596 1.00 0.00 O ATOM 0 H ASP A 30 69.788 13.078 2.545 1.00 0.00 H new ATOM 0 HA ASP A 30 69.775 12.294 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.475 14.075 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.830 14.975 0.223 1.00 0.00 H new ATOM 490 N GLY A 35 65.500 12.180 -3.444 1.00 0.00 N ATOM 491 CA GLY A 35 65.063 10.879 -2.867 1.00 0.00 C ATOM 492 C GLY A 35 66.118 9.810 -3.159 1.00 0.00 C ATOM 493 O GLY A 35 65.812 8.642 -3.289 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.918 10.977 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.104 10.584 -3.293 1.00 0.00 H new ATOM 497 N ASP A 36 67.359 10.202 -3.261 1.00 0.00 N ATOM 498 CA ASP A 36 68.433 9.207 -3.545 1.00 0.00 C ATOM 499 C ASP A 36 69.780 9.718 -3.028 1.00 0.00 C ATOM 500 O ASP A 36 70.246 10.771 -3.414 1.00 0.00 O ATOM 501 CB ASP A 36 68.463 9.075 -5.067 1.00 0.00 C ATOM 502 CG ASP A 36 68.431 10.467 -5.700 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.480 11.086 -5.775 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.359 10.890 -6.101 1.00 0.00 O ATOM 0 H ASP A 36 67.675 11.166 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 36 68.245 8.251 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.361 8.543 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.610 8.489 -5.409 1.00 0.00 H new ATOM 509 N ILE A 37 70.411 8.974 -2.164 1.00 0.00 N ATOM 510 CA ILE A 37 71.732 9.408 -1.626 1.00 0.00 C ATOM 511 C ILE A 37 72.860 8.710 -2.391 1.00 0.00 C ATOM 512 O ILE A 37 72.624 7.809 -3.172 1.00 0.00 O ATOM 513 CB ILE A 37 71.722 8.974 -0.160 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.897 7.457 -0.074 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.389 9.368 0.477 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.648 6.998 1.364 1.00 0.00 C ATOM 0 H ILE A 37 70.069 8.082 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 37 71.894 10.481 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 37 72.539 9.464 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.202 6.961 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.903 7.177 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.380 9.059 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.262 10.449 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.573 8.877 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.772 5.917 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.360 7.485 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.634 7.265 1.661 1.00 0.00 H new ATOM 528 N SER A 38 74.081 9.115 -2.177 1.00 0.00 N ATOM 529 CA SER A 38 75.212 8.467 -2.897 1.00 0.00 C ATOM 530 C SER A 38 75.190 6.955 -2.654 1.00 0.00 C ATOM 531 O SER A 38 75.060 6.501 -1.535 1.00 0.00 O ATOM 532 CB SER A 38 76.473 9.086 -2.296 1.00 0.00 C ATOM 533 OG SER A 38 76.776 10.294 -2.983 1.00 0.00 O ATOM 0 H SER A 38 74.344 9.864 -1.537 1.00 0.00 H new ATOM 0 HA SER A 38 75.158 8.620 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.324 9.285 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.308 8.389 -2.376 1.00 0.00 H new ATOM 0 HG SER A 38 77.584 10.695 -2.599 1.00 0.00 H new ATOM 539 N THR A 39 75.312 6.175 -3.691 1.00 0.00 N ATOM 540 CA THR A 39 75.295 4.695 -3.514 1.00 0.00 C ATOM 541 C THR A 39 76.226 4.292 -2.366 1.00 0.00 C ATOM 542 O THR A 39 76.007 3.304 -1.694 1.00 0.00 O ATOM 543 CB THR A 39 75.797 4.131 -4.843 1.00 0.00 C ATOM 544 OG1 THR A 39 76.784 5.000 -5.381 1.00 0.00 O ATOM 545 CG2 THR A 39 74.628 4.013 -5.822 1.00 0.00 C ATOM 0 H THR A 39 75.423 6.497 -4.653 1.00 0.00 H new ATOM 0 HA THR A 39 74.304 4.317 -3.264 1.00 0.00 H new ATOM 0 HB THR A 39 76.232 3.145 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.108 4.639 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.986 3.611 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.872 3.346 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.191 4.998 -5.988 1.00 0.00 H new ATOM 553 N LYS A 40 77.260 5.054 -2.133 1.00 0.00 N ATOM 554 CA LYS A 40 78.200 4.718 -1.026 1.00 0.00 C ATOM 555 C LYS A 40 77.557 5.054 0.323 1.00 0.00 C ATOM 556 O LYS A 40 78.072 4.718 1.372 1.00 0.00 O ATOM 557 CB LYS A 40 79.429 5.597 -1.267 1.00 0.00 C ATOM 558 CG LYS A 40 80.460 4.820 -2.088 1.00 0.00 C ATOM 559 CD LYS A 40 81.725 4.609 -1.252 1.00 0.00 C ATOM 560 CE LYS A 40 82.635 3.594 -1.948 1.00 0.00 C ATOM 561 NZ LYS A 40 82.892 2.543 -0.925 1.00 0.00 N ATOM 0 H LYS A 40 77.494 5.894 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 40 78.457 3.659 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.141 6.507 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.863 5.903 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.048 3.858 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.701 5.366 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.250 5.555 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.460 4.253 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.155 3.175 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.564 4.058 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.510 1.810 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.355 2.970 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.990 2.114 -0.634 1.00 0.00 H new ATOM 575 N GLU A 41 76.433 5.717 0.300 1.00 0.00 N ATOM 576 CA GLU A 41 75.748 6.083 1.572 1.00 0.00 C ATOM 577 C GLU A 41 74.502 5.215 1.768 1.00 0.00 C ATOM 578 O GLU A 41 73.756 5.387 2.713 1.00 0.00 O ATOM 579 CB GLU A 41 75.356 7.549 1.391 1.00 0.00 C ATOM 580 CG GLU A 41 75.297 8.237 2.753 1.00 0.00 C ATOM 581 CD GLU A 41 76.692 8.250 3.382 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.066 7.247 3.967 1.00 0.00 O ATOM 583 OE2 GLU A 41 77.362 9.262 3.268 1.00 0.00 O ATOM 0 H GLU A 41 75.958 6.022 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 41 76.381 5.931 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.079 8.052 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.388 7.618 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.928 9.256 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.598 7.715 3.406 1.00 0.00 H new ATOM 590 N LEU A 42 74.270 4.285 0.882 1.00 0.00 N ATOM 591 CA LEU A 42 73.070 3.407 1.013 1.00 0.00 C ATOM 592 C LEU A 42 73.175 2.545 2.274 1.00 0.00 C ATOM 593 O LEU A 42 72.289 2.532 3.105 1.00 0.00 O ATOM 594 CB LEU A 42 73.087 2.530 -0.239 1.00 0.00 C ATOM 595 CG LEU A 42 71.932 1.530 -0.182 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.364 1.326 -1.589 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.444 0.192 0.358 1.00 0.00 C ATOM 0 H LEU A 42 74.860 4.094 0.072 1.00 0.00 H new ATOM 0 HA LEU A 42 72.147 3.980 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.000 3.151 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.037 2.000 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 42 71.151 1.914 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.540 0.613 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.001 2.278 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.145 0.941 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.622 -0.522 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.225 -0.191 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.851 0.335 1.359 1.00 0.00 H new ATOM 609 N GLY A 43 74.251 1.821 2.419 1.00 0.00 N ATOM 610 CA GLY A 43 74.411 0.956 3.623 1.00 0.00 C ATOM 611 C GLY A 43 74.007 1.733 4.877 1.00 0.00 C ATOM 612 O GLY A 43 73.423 1.190 5.794 1.00 0.00 O ATOM 0 H GLY A 43 75.026 1.791 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.795 0.062 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.445 0.623 3.708 1.00 0.00 H new ATOM 616 N THR A 44 74.314 3.000 4.929 1.00 0.00 N ATOM 617 CA THR A 44 73.951 3.809 6.129 1.00 0.00 C ATOM 618 C THR A 44 72.433 3.812 6.339 1.00 0.00 C ATOM 619 O THR A 44 71.935 3.329 7.334 1.00 0.00 O ATOM 620 CB THR A 44 74.449 5.222 5.818 1.00 0.00 C ATOM 621 OG1 THR A 44 75.862 5.267 5.965 1.00 0.00 O ATOM 622 CG2 THR A 44 73.802 6.220 6.780 1.00 0.00 C ATOM 0 H THR A 44 74.801 3.511 4.193 1.00 0.00 H new ATOM 0 HA THR A 44 74.393 3.408 7.041 1.00 0.00 H new ATOM 0 HB THR A 44 74.180 5.484 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.238 5.902 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.159 7.225 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.719 6.186 6.666 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.067 5.961 7.805 1.00 0.00 H new ATOM 630 N VAL A 45 71.696 4.361 5.415 1.00 0.00 N ATOM 631 CA VAL A 45 70.211 4.406 5.569 1.00 0.00 C ATOM 632 C VAL A 45 69.669 3.054 6.048 1.00 0.00 C ATOM 633 O VAL A 45 69.132 2.939 7.132 1.00 0.00 O ATOM 634 CB VAL A 45 69.679 4.727 4.173 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.159 4.550 4.152 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.026 6.173 3.816 1.00 0.00 C ATOM 0 H VAL A 45 72.056 4.782 4.558 1.00 0.00 H new ATOM 0 HA VAL A 45 69.903 5.144 6.310 1.00 0.00 H new ATOM 0 HB VAL A 45 70.134 4.052 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.780 4.779 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 45 67.909 3.520 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.704 5.224 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.647 6.403 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.571 6.846 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.108 6.302 3.831 1.00 0.00 H new ATOM 646 N MET A 46 69.790 2.037 5.241 1.00 0.00 N ATOM 647 CA MET A 46 69.266 0.697 5.640 1.00 0.00 C ATOM 648 C MET A 46 69.861 0.247 6.980 1.00 0.00 C ATOM 649 O MET A 46 69.178 -0.316 7.811 1.00 0.00 O ATOM 650 CB MET A 46 69.699 -0.244 4.517 1.00 0.00 C ATOM 651 CG MET A 46 71.206 -0.493 4.609 1.00 0.00 C ATOM 652 SD MET A 46 71.765 -1.366 3.124 1.00 0.00 S ATOM 653 CE MET A 46 70.676 -2.802 3.285 1.00 0.00 C ATOM 0 H MET A 46 70.229 2.074 4.321 1.00 0.00 H new ATOM 0 HA MET A 46 68.185 0.710 5.776 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.159 -1.188 4.591 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.450 0.190 3.549 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.737 0.454 4.709 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.435 -1.081 5.498 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.047 -3.612 2.657 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.657 -3.129 4.325 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.668 -2.531 2.971 1.00 0.00 H new ATOM 663 N ARG A 47 71.126 0.480 7.193 1.00 0.00 N ATOM 664 CA ARG A 47 71.754 0.050 8.478 1.00 0.00 C ATOM 665 C ARG A 47 71.343 0.983 9.622 1.00 0.00 C ATOM 666 O ARG A 47 70.868 0.546 10.651 1.00 0.00 O ATOM 667 CB ARG A 47 73.259 0.138 8.229 1.00 0.00 C ATOM 668 CG ARG A 47 74.003 -0.615 9.334 1.00 0.00 C ATOM 669 CD ARG A 47 73.935 0.189 10.634 1.00 0.00 C ATOM 670 NE ARG A 47 75.321 0.160 11.176 1.00 0.00 N ATOM 671 CZ ARG A 47 75.926 1.275 11.482 1.00 0.00 C ATOM 672 NH1 ARG A 47 75.810 1.771 12.684 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.644 1.895 10.587 1.00 0.00 N ATOM 0 H ARG A 47 71.752 0.948 6.537 1.00 0.00 H new ATOM 0 HA ARG A 47 71.443 -0.953 8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.503 -0.288 7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.575 1.181 8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.560 -1.600 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.042 -0.773 9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.604 1.211 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.227 -0.253 11.335 1.00 0.00 H new ATOM 0 HE ARG A 47 75.798 -0.732 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.247 1.287 13.383 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.283 2.642 12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 47 76.733 1.508 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.117 2.767 10.827 1.00 0.00 H new ATOM 687 N MET A 48 71.528 2.264 9.453 1.00 0.00 N ATOM 688 CA MET A 48 71.155 3.224 10.533 1.00 0.00 C ATOM 689 C MET A 48 69.641 3.216 10.765 1.00 0.00 C ATOM 690 O MET A 48 69.146 3.822 11.694 1.00 0.00 O ATOM 691 CB MET A 48 71.611 4.592 10.019 1.00 0.00 C ATOM 692 CG MET A 48 72.021 5.470 11.201 1.00 0.00 C ATOM 693 SD MET A 48 72.565 7.086 10.592 1.00 0.00 S ATOM 694 CE MET A 48 74.130 7.156 11.497 1.00 0.00 C ATOM 0 H MET A 48 71.922 2.688 8.613 1.00 0.00 H new ATOM 0 HA MET A 48 71.617 2.967 11.486 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.449 4.473 9.332 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.806 5.069 9.460 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.182 5.591 11.886 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.824 4.992 11.762 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.643 8.089 11.265 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.934 7.106 12.568 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.758 6.315 11.204 1.00 0.00 H new ATOM 704 N LEU A 49 68.901 2.540 9.930 1.00 0.00 N ATOM 705 CA LEU A 49 67.420 2.503 10.113 1.00 0.00 C ATOM 706 C LEU A 49 67.042 1.487 11.195 1.00 0.00 C ATOM 707 O LEU A 49 65.985 1.565 11.789 1.00 0.00 O ATOM 708 CB LEU A 49 66.863 2.076 8.756 1.00 0.00 C ATOM 709 CG LEU A 49 66.511 3.318 7.936 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.056 2.897 6.538 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.381 4.084 8.630 1.00 0.00 C ATOM 0 H LEU A 49 69.255 2.013 9.131 1.00 0.00 H new ATOM 0 HA LEU A 49 67.021 3.466 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.597 1.472 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.978 1.455 8.893 1.00 0.00 H new ATOM 0 HG LEU A 49 67.389 3.958 7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.805 3.783 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.859 2.352 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.178 2.256 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.130 4.969 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.504 3.442 8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.704 4.386 9.626 1.00 0.00 H new ATOM 723 N GLY A 50 67.896 0.535 11.458 1.00 0.00 N ATOM 724 CA GLY A 50 67.580 -0.479 12.504 1.00 0.00 C ATOM 725 C GLY A 50 68.060 -1.859 12.049 1.00 0.00 C ATOM 726 O GLY A 50 68.139 -2.787 12.830 1.00 0.00 O ATOM 0 H GLY A 50 68.797 0.416 10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.061 -0.208 13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.506 -0.500 12.690 1.00 0.00 H new ATOM 730 N GLN A 51 68.383 -2.004 10.793 1.00 0.00 N ATOM 731 CA GLN A 51 68.857 -3.326 10.294 1.00 0.00 C ATOM 732 C GLN A 51 70.388 -3.356 10.253 1.00 0.00 C ATOM 733 O GLN A 51 71.051 -2.535 10.855 1.00 0.00 O ATOM 734 CB GLN A 51 68.281 -3.451 8.884 1.00 0.00 C ATOM 735 CG GLN A 51 66.810 -3.025 8.893 1.00 0.00 C ATOM 736 CD GLN A 51 66.079 -3.739 10.031 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.213 -4.934 10.199 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.305 -3.051 10.826 1.00 0.00 N ATOM 0 H GLN A 51 68.339 -1.265 10.091 1.00 0.00 H new ATOM 0 HA GLN A 51 68.539 -4.147 10.936 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.847 -2.827 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.371 -4.479 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.734 -1.945 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.344 -3.268 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.192 -2.047 10.685 1.00 0.00 H new ATOM 0 HE22 GLN A 51 64.813 -3.517 11.588 1.00 0.00 H new ATOM 747 N ASN A 52 70.954 -4.296 9.548 1.00 0.00 N ATOM 748 CA ASN A 52 72.441 -4.377 9.471 1.00 0.00 C ATOM 749 C ASN A 52 72.863 -5.184 8.240 1.00 0.00 C ATOM 750 O ASN A 52 72.942 -6.395 8.288 1.00 0.00 O ATOM 751 CB ASN A 52 72.867 -5.095 10.751 1.00 0.00 C ATOM 752 CG ASN A 52 73.525 -4.093 11.703 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.168 -4.014 12.861 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.480 -3.322 11.260 1.00 0.00 N ATOM 0 H ASN A 52 70.452 -5.011 9.022 1.00 0.00 H new ATOM 0 HA ASN A 52 72.903 -3.394 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.001 -5.553 11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.563 -5.900 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 52 74.927 -2.653 11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.780 -3.389 10.287 1.00 0.00 H new ATOM 761 N PRO A 53 73.124 -4.478 7.175 1.00 0.00 N ATOM 762 CA PRO A 53 73.547 -5.131 5.913 1.00 0.00 C ATOM 763 C PRO A 53 74.987 -5.637 6.037 1.00 0.00 C ATOM 764 O PRO A 53 75.891 -4.889 6.356 1.00 0.00 O ATOM 765 CB PRO A 53 73.456 -4.011 4.881 1.00 0.00 C ATOM 766 CG PRO A 53 73.607 -2.748 5.670 1.00 0.00 C ATOM 767 CD PRO A 53 73.053 -3.018 7.045 1.00 0.00 C ATOM 0 HA PRO A 53 72.937 -5.996 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.239 -4.103 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.502 -4.036 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.655 -2.452 5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.070 -1.928 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.639 -2.519 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.029 -2.658 7.141 1.00 0.00 H new ATOM 775 N THR A 54 75.210 -6.898 5.790 1.00 0.00 N ATOM 776 CA THR A 54 76.594 -7.443 5.896 1.00 0.00 C ATOM 777 C THR A 54 77.528 -6.693 4.942 1.00 0.00 C ATOM 778 O THR A 54 77.159 -6.359 3.834 1.00 0.00 O ATOM 779 CB THR A 54 76.474 -8.911 5.486 1.00 0.00 C ATOM 780 OG1 THR A 54 76.035 -8.989 4.137 1.00 0.00 O ATOM 781 CG2 THR A 54 75.465 -9.616 6.395 1.00 0.00 C ATOM 0 H THR A 54 74.496 -7.574 5.520 1.00 0.00 H new ATOM 0 HA THR A 54 77.007 -7.334 6.899 1.00 0.00 H new ATOM 0 HB THR A 54 77.445 -9.396 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.959 -9.929 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.380 -10.662 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 54 75.803 -9.555 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.492 -9.133 6.302 1.00 0.00 H new ATOM 789 N LYS A 55 78.735 -6.427 5.362 1.00 0.00 N ATOM 790 CA LYS A 55 79.686 -5.700 4.474 1.00 0.00 C ATOM 791 C LYS A 55 79.605 -6.256 3.051 1.00 0.00 C ATOM 792 O LYS A 55 79.642 -5.523 2.083 1.00 0.00 O ATOM 793 CB LYS A 55 81.069 -5.959 5.073 1.00 0.00 C ATOM 794 CG LYS A 55 82.117 -5.166 4.290 1.00 0.00 C ATOM 795 CD LYS A 55 82.941 -4.312 5.258 1.00 0.00 C ATOM 796 CE LYS A 55 83.951 -3.475 4.469 1.00 0.00 C ATOM 797 NZ LYS A 55 85.100 -4.390 4.225 1.00 0.00 N ATOM 0 H LYS A 55 79.103 -6.681 6.279 1.00 0.00 H new ATOM 0 HA LYS A 55 79.463 -4.635 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.084 -5.665 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.300 -7.024 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.770 -5.847 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.630 -4.529 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.284 -3.660 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.461 -4.951 5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.523 -3.120 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.260 -2.594 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.876 -3.861 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.426 -4.786 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.801 -5.163 3.596 1.00 0.00 H new ATOM 811 N GLU A 56 79.489 -7.549 2.917 1.00 0.00 N ATOM 812 CA GLU A 56 79.398 -8.151 1.556 1.00 0.00 C ATOM 813 C GLU A 56 78.111 -7.692 0.867 1.00 0.00 C ATOM 814 O GLU A 56 78.070 -7.505 -0.333 1.00 0.00 O ATOM 815 CB GLU A 56 79.371 -9.662 1.792 1.00 0.00 C ATOM 816 CG GLU A 56 80.803 -10.183 1.930 1.00 0.00 C ATOM 817 CD GLU A 56 80.775 -11.692 2.181 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.059 -12.111 3.076 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.471 -12.403 1.474 1.00 0.00 O ATOM 0 H GLU A 56 79.453 -8.214 3.690 1.00 0.00 H new ATOM 0 HA GLU A 56 80.228 -7.855 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.801 -9.890 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.869 -10.161 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.370 -9.965 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.308 -9.676 2.752 1.00 0.00 H new ATOM 826 N GLU A 57 77.061 -7.506 1.619 1.00 0.00 N ATOM 827 CA GLU A 57 75.777 -7.054 1.008 1.00 0.00 C ATOM 828 C GLU A 57 75.940 -5.649 0.426 1.00 0.00 C ATOM 829 O GLU A 57 75.574 -5.387 -0.703 1.00 0.00 O ATOM 830 CB GLU A 57 74.771 -7.045 2.159 1.00 0.00 C ATOM 831 CG GLU A 57 73.919 -8.315 2.105 1.00 0.00 C ATOM 832 CD GLU A 57 73.265 -8.433 0.727 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.043 -7.406 0.109 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.995 -9.550 0.315 1.00 0.00 O ATOM 0 H GLU A 57 77.036 -7.647 2.629 1.00 0.00 H new ATOM 0 HA GLU A 57 75.455 -7.702 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.295 -6.987 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.133 -6.164 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.539 -9.190 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.154 -8.286 2.881 1.00 0.00 H new ATOM 841 N LEU A 58 76.493 -4.741 1.185 1.00 0.00 N ATOM 842 CA LEU A 58 76.682 -3.356 0.669 1.00 0.00 C ATOM 843 C LEU A 58 77.431 -3.393 -0.665 1.00 0.00 C ATOM 844 O LEU A 58 76.954 -2.907 -1.671 1.00 0.00 O ATOM 845 CB LEU A 58 77.521 -2.641 1.733 1.00 0.00 C ATOM 846 CG LEU A 58 76.814 -2.723 3.088 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.468 -1.743 4.063 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.336 -2.361 2.917 1.00 0.00 C ATOM 0 H LEU A 58 76.821 -4.899 2.138 1.00 0.00 H new ATOM 0 HA LEU A 58 75.734 -2.849 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.508 -3.098 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.670 -1.598 1.452 1.00 0.00 H new ATOM 0 HG LEU A 58 76.896 -3.737 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.965 -1.800 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.520 -2.000 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.385 -0.729 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.833 -2.420 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.253 -1.347 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.869 -3.058 2.222 1.00 0.00 H new ATOM 860 N ASP A 59 78.600 -3.972 -0.680 1.00 0.00 N ATOM 861 CA ASP A 59 79.379 -4.047 -1.948 1.00 0.00 C ATOM 862 C ASP A 59 78.506 -4.618 -3.067 1.00 0.00 C ATOM 863 O ASP A 59 78.511 -4.132 -4.180 1.00 0.00 O ATOM 864 CB ASP A 59 80.543 -4.990 -1.641 1.00 0.00 C ATOM 865 CG ASP A 59 81.200 -5.433 -2.948 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.606 -6.240 -3.643 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.288 -4.958 -3.233 1.00 0.00 O ATOM 0 H ASP A 59 79.050 -4.397 0.131 1.00 0.00 H new ATOM 0 HA ASP A 59 79.725 -3.069 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.274 -4.488 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.185 -5.859 -1.089 1.00 0.00 H new ATOM 872 N ALA A 60 77.753 -5.643 -2.779 1.00 0.00 N ATOM 873 CA ALA A 60 76.877 -6.239 -3.827 1.00 0.00 C ATOM 874 C ALA A 60 75.717 -5.290 -4.142 1.00 0.00 C ATOM 875 O ALA A 60 75.397 -5.049 -5.288 1.00 0.00 O ATOM 876 CB ALA A 60 76.358 -7.542 -3.217 1.00 0.00 C ATOM 0 H ALA A 60 77.706 -6.093 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 60 77.408 -6.414 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.703 -8.042 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.199 -8.193 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.801 -7.321 -2.306 1.00 0.00 H new ATOM 882 N ILE A 61 75.089 -4.748 -3.134 1.00 0.00 N ATOM 883 CA ILE A 61 73.956 -3.812 -3.382 1.00 0.00 C ATOM 884 C ILE A 61 74.402 -2.690 -4.322 1.00 0.00 C ATOM 885 O ILE A 61 73.869 -2.522 -5.401 1.00 0.00 O ATOM 886 CB ILE A 61 73.594 -3.248 -2.010 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.979 -4.354 -1.149 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.581 -2.114 -2.178 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.996 -3.927 0.320 1.00 0.00 C ATOM 0 H ILE A 61 75.311 -4.912 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 61 73.106 -4.307 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 61 74.493 -2.867 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.956 -4.552 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.538 -5.281 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 61 72.321 -1.710 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 73.016 -1.326 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.683 -2.497 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.558 -4.715 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.024 -3.751 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.418 -3.011 0.439 1.00 0.00 H new ATOM 901 N ILE A 62 75.380 -1.923 -3.925 1.00 0.00 N ATOM 902 CA ILE A 62 75.860 -0.819 -4.804 1.00 0.00 C ATOM 903 C ILE A 62 76.097 -1.351 -6.218 1.00 0.00 C ATOM 904 O ILE A 62 75.422 -0.975 -7.155 1.00 0.00 O ATOM 905 CB ILE A 62 77.172 -0.351 -4.176 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.874 0.372 -2.860 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.885 0.607 -5.133 1.00 0.00 C ATOM 908 CD1 ILE A 62 78.162 0.505 -2.047 1.00 0.00 C ATOM 0 H ILE A 62 75.866 -2.012 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 62 75.140 -0.005 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 62 77.811 -1.213 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.455 1.358 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.127 -0.181 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.821 0.940 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 62 78.095 0.094 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.248 1.470 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.949 1.020 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.562 -0.486 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.895 1.077 -2.617 1.00 0.00 H new ATOM 920 N GLU A 63 77.043 -2.236 -6.378 1.00 0.00 N ATOM 921 CA GLU A 63 77.310 -2.799 -7.732 1.00 0.00 C ATOM 922 C GLU A 63 75.992 -3.246 -8.369 1.00 0.00 C ATOM 923 O GLU A 63 75.802 -3.152 -9.566 1.00 0.00 O ATOM 924 CB GLU A 63 78.226 -3.999 -7.489 1.00 0.00 C ATOM 925 CG GLU A 63 78.754 -4.518 -8.828 1.00 0.00 C ATOM 926 CD GLU A 63 80.226 -4.128 -8.982 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.901 -4.029 -7.971 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.652 -3.936 -10.109 1.00 0.00 O ATOM 0 H GLU A 63 77.641 -2.593 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 63 77.767 -2.075 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.057 -3.711 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.680 -4.788 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.647 -5.602 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.169 -4.102 -9.648 1.00 0.00 H new ATOM 935 N GLU A 64 75.076 -3.724 -7.571 1.00 0.00 N ATOM 936 CA GLU A 64 73.763 -4.170 -8.114 1.00 0.00 C ATOM 937 C GLU A 64 72.930 -2.949 -8.518 1.00 0.00 C ATOM 938 O GLU A 64 72.443 -2.853 -9.627 1.00 0.00 O ATOM 939 CB GLU A 64 73.102 -4.930 -6.956 1.00 0.00 C ATOM 940 CG GLU A 64 71.577 -4.897 -7.101 1.00 0.00 C ATOM 941 CD GLU A 64 70.992 -6.242 -6.664 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.467 -6.778 -5.676 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.081 -6.711 -7.324 1.00 0.00 O ATOM 0 H GLU A 64 75.182 -3.825 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 64 73.859 -4.794 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.451 -5.963 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.394 -4.484 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.161 -4.093 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.304 -4.689 -8.136 1.00 0.00 H new ATOM 950 N VAL A 65 72.765 -2.017 -7.622 1.00 0.00 N ATOM 951 CA VAL A 65 71.969 -0.800 -7.946 1.00 0.00 C ATOM 952 C VAL A 65 72.829 0.201 -8.721 1.00 0.00 C ATOM 953 O VAL A 65 72.383 1.273 -9.077 1.00 0.00 O ATOM 954 CB VAL A 65 71.565 -0.225 -6.589 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.855 -1.301 -5.766 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.816 0.244 -5.843 1.00 0.00 C ATOM 0 H VAL A 65 73.148 -2.045 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 65 71.103 -1.022 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 65 70.891 0.619 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.568 -0.889 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.964 -1.636 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.527 -2.146 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.530 0.655 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.489 -0.600 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.322 1.012 -6.428 1.00 0.00 H new ATOM 966 N ASP A 66 74.063 -0.140 -8.983 1.00 0.00 N ATOM 967 CA ASP A 66 74.953 0.792 -9.732 1.00 0.00 C ATOM 968 C ASP A 66 74.828 0.550 -11.239 1.00 0.00 C ATOM 969 O ASP A 66 75.121 1.412 -12.042 1.00 0.00 O ATOM 970 CB ASP A 66 76.366 0.460 -9.250 1.00 0.00 C ATOM 971 CG ASP A 66 77.370 1.401 -9.921 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.627 2.455 -9.364 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.864 1.049 -10.979 1.00 0.00 O ATOM 0 H ASP A 66 74.492 -1.024 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 66 74.697 1.837 -9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.425 0.561 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.608 -0.576 -9.487 1.00 0.00 H new ATOM 1030 N THR A 72 73.471 7.114 -8.002 1.00 0.00 N ATOM 1031 CA THR A 72 72.996 7.016 -6.592 1.00 0.00 C ATOM 1032 C THR A 72 71.941 5.913 -6.461 1.00 0.00 C ATOM 1033 O THR A 72 71.786 5.082 -7.335 1.00 0.00 O ATOM 1034 CB THR A 72 72.383 8.383 -6.284 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.387 8.683 -7.251 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.474 9.454 -6.321 1.00 0.00 C ATOM 0 HA THR A 72 73.802 6.765 -5.903 1.00 0.00 H new ATOM 0 HB THR A 72 71.931 8.364 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.582 8.201 -8.082 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.036 10.428 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.236 9.223 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.929 9.476 -7.311 1.00 0.00 H new ATOM 1044 N ILE A 73 71.215 5.900 -5.377 1.00 0.00 N ATOM 1045 CA ILE A 73 70.170 4.852 -5.187 1.00 0.00 C ATOM 1046 C ILE A 73 68.782 5.497 -5.133 1.00 0.00 C ATOM 1047 O ILE A 73 68.604 6.559 -4.569 1.00 0.00 O ATOM 1048 CB ILE A 73 70.511 4.197 -3.849 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.635 2.958 -3.649 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.256 5.190 -2.714 1.00 0.00 C ATOM 1051 CD1 ILE A 73 70.339 1.734 -4.237 1.00 0.00 C ATOM 0 H ILE A 73 71.300 6.570 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 73 70.152 4.129 -6.002 1.00 0.00 H new ATOM 0 HB ILE A 73 71.561 3.904 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.441 2.804 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.668 3.101 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.499 4.722 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.880 6.072 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.206 5.484 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.715 0.852 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.510 1.889 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 73 71.295 1.587 -3.734 1.00 0.00 H new ATOM 1063 N ASP A 74 67.797 4.866 -5.712 1.00 0.00 N ATOM 1064 CA ASP A 74 66.425 5.449 -5.689 1.00 0.00 C ATOM 1065 C ASP A 74 65.618 4.855 -4.533 1.00 0.00 C ATOM 1066 O ASP A 74 65.470 3.654 -4.423 1.00 0.00 O ATOM 1067 CB ASP A 74 65.806 5.060 -7.031 1.00 0.00 C ATOM 1068 CG ASP A 74 66.807 5.335 -8.155 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.714 4.536 -8.322 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.650 6.339 -8.830 1.00 0.00 O ATOM 0 H ASP A 74 67.882 3.974 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 74 66.438 6.529 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.531 4.005 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.890 5.627 -7.199 1.00 0.00 H new ATOM 1075 N PHE A 75 65.094 5.684 -3.671 1.00 0.00 N ATOM 1076 CA PHE A 75 64.296 5.158 -2.526 1.00 0.00 C ATOM 1077 C PHE A 75 63.361 4.047 -3.008 1.00 0.00 C ATOM 1078 O PHE A 75 63.289 2.986 -2.424 1.00 0.00 O ATOM 1079 CB PHE A 75 63.494 6.352 -2.012 1.00 0.00 C ATOM 1080 CG PHE A 75 62.855 5.994 -0.692 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.565 6.177 0.501 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.555 5.476 -0.661 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.973 5.843 1.725 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.964 5.142 0.563 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.672 5.326 1.756 1.00 0.00 C ATOM 0 H PHE A 75 65.183 6.699 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 75 64.925 4.731 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 75 64.146 7.217 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.728 6.629 -2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.569 6.575 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 75 61.008 5.334 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.520 5.984 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.961 4.742 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.215 5.069 2.700 1.00 0.00 H new ATOM 1095 N GLU A 76 62.648 4.281 -4.078 1.00 0.00 N ATOM 1096 CA GLU A 76 61.727 3.233 -4.598 1.00 0.00 C ATOM 1097 C GLU A 76 62.495 1.925 -4.798 1.00 0.00 C ATOM 1098 O GLU A 76 62.069 0.872 -4.369 1.00 0.00 O ATOM 1099 CB GLU A 76 61.223 3.773 -5.937 1.00 0.00 C ATOM 1100 CG GLU A 76 59.823 4.362 -5.757 1.00 0.00 C ATOM 1101 CD GLU A 76 59.104 4.394 -7.107 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.785 4.375 -8.119 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.885 4.436 -7.106 1.00 0.00 O ATOM 0 H GLU A 76 62.665 5.150 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 76 60.904 3.023 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.904 4.536 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 76 61.200 2.974 -6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.255 3.764 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.891 5.369 -5.345 1.00 0.00 H new ATOM 1110 N GLU A 77 63.630 1.989 -5.438 1.00 0.00 N ATOM 1111 CA GLU A 77 64.432 0.752 -5.658 1.00 0.00 C ATOM 1112 C GLU A 77 65.192 0.390 -4.381 1.00 0.00 C ATOM 1113 O GLU A 77 65.502 -0.758 -4.136 1.00 0.00 O ATOM 1114 CB GLU A 77 65.406 1.103 -6.783 1.00 0.00 C ATOM 1115 CG GLU A 77 66.497 0.034 -6.865 1.00 0.00 C ATOM 1116 CD GLU A 77 67.692 0.457 -6.008 1.00 0.00 C ATOM 1117 OE1 GLU A 77 68.443 1.309 -6.454 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.836 -0.079 -4.922 1.00 0.00 O ATOM 0 H GLU A 77 64.037 2.844 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 77 63.811 -0.106 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.874 1.168 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.853 2.080 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.109 -0.924 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 77 66.809 -0.104 -7.900 1.00 0.00 H new ATOM 1125 N PHE A 78 65.489 1.363 -3.562 1.00 0.00 N ATOM 1126 CA PHE A 78 66.221 1.073 -2.297 1.00 0.00 C ATOM 1127 C PHE A 78 65.282 0.387 -1.301 1.00 0.00 C ATOM 1128 O PHE A 78 65.705 -0.397 -0.475 1.00 0.00 O ATOM 1129 CB PHE A 78 66.667 2.443 -1.774 1.00 0.00 C ATOM 1130 CG PHE A 78 66.982 2.352 -0.300 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.232 1.886 0.123 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.023 2.736 0.645 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.524 1.803 1.490 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.313 2.654 2.012 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.564 2.187 2.434 1.00 0.00 C ATOM 0 H PHE A 78 65.256 2.344 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 78 67.069 0.405 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.546 2.783 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.881 3.180 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.972 1.590 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.058 3.096 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.489 1.443 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.573 2.951 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.788 2.123 3.488 1.00 0.00 H new ATOM 1145 N LEU A 79 64.012 0.675 -1.377 1.00 0.00 N ATOM 1146 CA LEU A 79 63.047 0.038 -0.437 1.00 0.00 C ATOM 1147 C LEU A 79 63.371 -1.449 -0.286 1.00 0.00 C ATOM 1148 O LEU A 79 63.255 -2.014 0.784 1.00 0.00 O ATOM 1149 CB LEU A 79 61.676 0.231 -1.083 1.00 0.00 C ATOM 1150 CG LEU A 79 61.039 1.517 -0.552 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.536 2.359 -1.725 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.864 1.163 0.361 1.00 0.00 C ATOM 0 H LEU A 79 63.601 1.323 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 79 63.087 0.475 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.777 0.283 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 61.035 -0.623 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 79 61.780 2.084 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.082 3.275 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 79 61.372 2.611 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.794 1.792 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.409 2.078 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.123 0.596 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.221 0.562 1.197 1.00 0.00 H new ATOM 1164 N VAL A 80 63.785 -2.089 -1.347 1.00 0.00 N ATOM 1165 CA VAL A 80 64.125 -3.536 -1.251 1.00 0.00 C ATOM 1166 C VAL A 80 65.247 -3.729 -0.231 1.00 0.00 C ATOM 1167 O VAL A 80 65.259 -4.682 0.523 1.00 0.00 O ATOM 1168 CB VAL A 80 64.595 -3.932 -2.650 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.536 -3.531 -3.679 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.910 -3.218 -2.969 1.00 0.00 C ATOM 0 H VAL A 80 63.902 -1.674 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 80 63.281 -4.144 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 80 64.748 -5.011 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.872 -3.814 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.599 -4.040 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.381 -2.453 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.245 -3.501 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.757 -2.139 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.666 -3.504 -2.238 1.00 0.00 H new ATOM 1180 N MET A 81 66.186 -2.824 -0.197 1.00 0.00 N ATOM 1181 CA MET A 81 67.303 -2.947 0.781 1.00 0.00 C ATOM 1182 C MET A 81 66.743 -2.919 2.205 1.00 0.00 C ATOM 1183 O MET A 81 67.345 -3.426 3.131 1.00 0.00 O ATOM 1184 CB MET A 81 68.190 -1.728 0.523 1.00 0.00 C ATOM 1185 CG MET A 81 68.790 -1.824 -0.882 1.00 0.00 C ATOM 1186 SD MET A 81 69.689 -3.387 -1.048 1.00 0.00 S ATOM 1187 CE MET A 81 69.632 -3.490 -2.854 1.00 0.00 C ATOM 0 H MET A 81 66.228 -2.005 -0.804 1.00 0.00 H new ATOM 0 HA MET A 81 67.859 -3.878 0.672 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.606 -0.813 0.619 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.985 -1.679 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.000 -1.765 -1.631 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.462 -0.985 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 81 70.504 -4.036 -3.215 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.725 -4.011 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.633 -2.485 -3.276 1.00 0.00 H new ATOM 1197 N MET A 82 65.589 -2.334 2.382 1.00 0.00 N ATOM 1198 CA MET A 82 64.979 -2.277 3.742 1.00 0.00 C ATOM 1199 C MET A 82 64.270 -3.597 4.047 1.00 0.00 C ATOM 1200 O MET A 82 64.571 -4.266 5.015 1.00 0.00 O ATOM 1201 CB MET A 82 63.969 -1.131 3.678 1.00 0.00 C ATOM 1202 CG MET A 82 64.682 0.161 3.274 1.00 0.00 C ATOM 1203 SD MET A 82 66.033 0.488 4.433 1.00 0.00 S ATOM 1204 CE MET A 82 65.129 0.103 5.952 1.00 0.00 C ATOM 0 H MET A 82 65.042 -1.893 1.643 1.00 0.00 H new ATOM 0 HA MET A 82 65.721 -2.119 4.525 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.184 -1.365 2.959 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.486 -1.004 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.071 0.073 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 82 63.978 0.993 3.274 1.00 0.00 H new ATOM 0 HE1 MET A 82 65.721 0.408 6.815 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.180 0.638 5.956 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.941 -0.969 6.002 1.00 0.00 H new ATOM 1214 N VAL A 83 63.331 -3.977 3.223 1.00 0.00 N ATOM 1215 CA VAL A 83 62.603 -5.256 3.459 1.00 0.00 C ATOM 1216 C VAL A 83 63.570 -6.436 3.348 1.00 0.00 C ATOM 1217 O VAL A 83 63.735 -7.207 4.271 1.00 0.00 O ATOM 1218 CB VAL A 83 61.552 -5.322 2.352 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.935 -6.722 2.320 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.456 -4.288 2.625 1.00 0.00 C ATOM 0 H VAL A 83 63.037 -3.457 2.397 1.00 0.00 H new ATOM 0 HA VAL A 83 62.154 -5.301 4.451 1.00 0.00 H new ATOM 0 HB VAL A 83 62.021 -5.108 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.185 -6.771 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.714 -7.459 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.466 -6.935 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.706 -4.335 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 83 59.986 -4.501 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.895 -3.291 2.650 1.00 0.00 H new ATOM 1230 N ARG A 84 64.213 -6.578 2.221 1.00 0.00 N ATOM 1231 CA ARG A 84 65.173 -7.704 2.044 1.00 0.00 C ATOM 1232 C ARG A 84 66.096 -7.806 3.261 1.00 0.00 C ATOM 1233 O ARG A 84 66.372 -8.882 3.754 1.00 0.00 O ATOM 1234 CB ARG A 84 65.971 -7.346 0.791 1.00 0.00 C ATOM 1235 CG ARG A 84 65.030 -7.301 -0.415 1.00 0.00 C ATOM 1236 CD ARG A 84 65.854 -7.339 -1.705 1.00 0.00 C ATOM 1237 NE ARG A 84 66.239 -8.768 -1.870 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.408 -9.607 -2.424 1.00 0.00 C ATOM 1239 NH1 ARG A 84 64.544 -10.251 -1.688 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.440 -9.803 -3.714 1.00 0.00 N ATOM 0 H ARG A 84 64.115 -5.962 1.414 1.00 0.00 H new ATOM 0 HA ARG A 84 64.671 -8.667 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.460 -6.380 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.758 -8.082 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.342 -8.146 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.424 -6.395 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.272 -6.985 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.733 -6.699 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 84 67.152 -9.091 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.519 -10.098 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.894 -10.907 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.115 -9.300 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 84 64.790 -10.459 -4.146 1.00 0.00 H new ATOM 1254 N GLN A 85 66.572 -6.694 3.750 1.00 0.00 N ATOM 1255 CA GLN A 85 67.474 -6.729 4.935 1.00 0.00 C ATOM 1256 C GLN A 85 66.672 -7.055 6.198 1.00 0.00 C ATOM 1257 O GLN A 85 67.109 -7.811 7.043 1.00 0.00 O ATOM 1258 CB GLN A 85 68.069 -5.323 5.023 1.00 0.00 C ATOM 1259 CG GLN A 85 69.062 -5.260 6.186 1.00 0.00 C ATOM 1260 CD GLN A 85 70.283 -6.123 5.862 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.757 -6.866 6.699 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.818 -6.055 4.673 1.00 0.00 N ATOM 0 H GLN A 85 66.375 -5.764 3.381 1.00 0.00 H new ATOM 0 HA GLN A 85 68.247 -7.492 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.570 -5.070 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.276 -4.590 5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.368 -4.229 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.588 -5.611 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.421 -5.432 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.633 -6.625 4.447 1.00 0.00 H new ATOM 1271 N MET A 86 65.501 -6.495 6.331 1.00 0.00 N ATOM 1272 CA MET A 86 64.674 -6.779 7.538 1.00 0.00 C ATOM 1273 C MET A 86 64.085 -8.189 7.451 1.00 0.00 C ATOM 1274 O MET A 86 63.760 -8.798 8.450 1.00 0.00 O ATOM 1275 CB MET A 86 63.561 -5.732 7.520 1.00 0.00 C ATOM 1276 CG MET A 86 63.822 -4.692 8.610 1.00 0.00 C ATOM 1277 SD MET A 86 62.270 -3.872 9.047 1.00 0.00 S ATOM 1278 CE MET A 86 61.886 -4.875 10.503 1.00 0.00 C ATOM 0 H MET A 86 65.082 -5.854 5.657 1.00 0.00 H new ATOM 0 HA MET A 86 65.258 -6.731 8.457 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.518 -5.249 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.595 -6.210 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.252 -5.172 9.489 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.548 -3.958 8.260 1.00 0.00 H new ATOM 0 HE1 MET A 86 60.892 -5.309 10.394 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.622 -5.674 10.599 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.913 -4.248 11.394 1.00 0.00 H new ATOM 1288 N LYS A 87 63.951 -8.715 6.263 1.00 0.00 N ATOM 1289 CA LYS A 87 63.387 -10.087 6.123 1.00 0.00 C ATOM 1290 C LYS A 87 64.107 -11.033 7.085 1.00 0.00 C ATOM 1291 O LYS A 87 63.572 -12.043 7.499 1.00 0.00 O ATOM 1292 CB LYS A 87 63.657 -10.483 4.671 1.00 0.00 C ATOM 1293 CG LYS A 87 62.588 -9.865 3.767 1.00 0.00 C ATOM 1294 CD LYS A 87 61.650 -10.963 3.260 1.00 0.00 C ATOM 1295 CE LYS A 87 61.490 -10.838 1.743 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.732 -12.055 1.335 1.00 0.00 N ATOM 0 H LYS A 87 64.206 -8.256 5.388 1.00 0.00 H new ATOM 0 HA LYS A 87 62.324 -10.132 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.647 -10.142 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.650 -11.568 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.022 -9.114 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.058 -9.357 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.051 -11.944 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.678 -10.879 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.951 -9.929 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.459 -10.791 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.582 -12.042 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 61.273 -12.904 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.811 -12.069 1.818 1.00 0.00 H new ATOM 1310 N GLU A 88 65.316 -10.704 7.450 1.00 0.00 N ATOM 1311 CA GLU A 88 66.074 -11.571 8.396 1.00 0.00 C ATOM 1312 C GLU A 88 65.913 -11.039 9.821 1.00 0.00 C ATOM 1313 O GLU A 88 65.845 -11.790 10.773 1.00 0.00 O ATOM 1314 CB GLU A 88 67.531 -11.469 7.946 1.00 0.00 C ATOM 1315 CG GLU A 88 68.237 -12.804 8.191 1.00 0.00 C ATOM 1316 CD GLU A 88 69.747 -12.619 8.039 1.00 0.00 C ATOM 1317 OE1 GLU A 88 70.233 -11.556 8.387 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.394 -13.545 7.577 1.00 0.00 O ATOM 0 H GLU A 88 65.812 -9.871 7.133 1.00 0.00 H new ATOM 0 HA GLU A 88 65.722 -12.603 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.578 -11.209 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.036 -10.673 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.004 -13.173 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.879 -13.552 7.484 1.00 0.00 H new ATOM 1325 N ASP A 89 65.847 -9.743 9.971 1.00 0.00 N ATOM 1326 CA ASP A 89 65.684 -9.153 11.330 1.00 0.00 C ATOM 1327 C ASP A 89 64.228 -9.280 11.784 1.00 0.00 C ATOM 1328 O ASP A 89 63.939 -9.369 12.961 1.00 0.00 O ATOM 1329 CB ASP A 89 66.069 -7.682 11.172 1.00 0.00 C ATOM 1330 CG ASP A 89 65.997 -6.986 12.531 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.691 -7.421 13.435 1.00 0.00 O ATOM 1332 OD2 ASP A 89 65.249 -6.029 12.646 1.00 0.00 O ATOM 0 H ASP A 89 65.899 -9.067 9.209 1.00 0.00 H new ATOM 0 HA ASP A 89 66.298 -9.656 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.076 -7.601 10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.398 -7.194 10.466 1.00 0.00 H new ATOM 1337 N ALA A 90 63.310 -9.289 10.857 1.00 0.00 N ATOM 1338 CA ALA A 90 61.871 -9.410 11.233 1.00 0.00 C ATOM 1339 C ALA A 90 61.451 -10.882 11.255 1.00 0.00 C ATOM 1340 O ALA A 90 61.591 -11.532 10.232 1.00 0.00 O ATOM 1341 CB ALA A 90 61.112 -8.652 10.143 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.997 -11.333 12.293 1.00 0.00 O ATOM 0 H ALA A 90 63.493 -9.218 9.856 1.00 0.00 H new ATOM 0 HA ALA A 90 61.669 -9.008 12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.042 -8.694 10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.438 -7.612 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.314 -9.109 9.174 1.00 0.00 H new