USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 Single : A 5 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 8 GLN : amide:sc= -0.0578 X(o=-0.058,f=0.21) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -16:sc= 0.813 USER MOD Single : A 28 THR OG1 : rot -63:sc= 0.111 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.00326 USER MOD Single : A 36 MET CE :methyl -140:sc= 0 (180deg=-0.275) USER MOD Single : A 38 SER OG : rot 76:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 44 THR OG1 : rot -67:sc= 0.183 USER MOD Single : A 49 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.018) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.61) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 72 MET CE :methyl 177:sc= -0.0383 (180deg=-0.0489) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0578) USER MOD Single : A 97 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.69) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.246 F(o=-0.99,f=-0.25) USER MOD Single : A 109 MET CE :methyl -178:sc= 0 (180deg=-0.00668) USER MOD Single : A 110 THR OG1 : rot 26:sc= 0.176 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -113:sc= 0.465 (180deg=-0.261) USER MOD Single : A 117 THR OG1 : rot -81:sc= 1.19 USER MOD Single : A 124 MET CE :methyl 174:sc= 0 (180deg=-0.0454) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 137 ASN : amide:sc= -0.691 K(o=-0.69,f=-7.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0726 K(o=-0.073,f=-1.4!) USER MOD Single : A 144 MET CE :methyl 161:sc= 0 (180deg=-0.247) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.861 18.609 0.253 1.00 0.00 N ATOM 59 CA THR A 5 -16.016 19.411 -0.007 1.00 0.00 C ATOM 60 C THR A 5 -17.289 18.638 -0.041 1.00 0.00 C ATOM 61 O THR A 5 -17.228 17.411 -0.101 1.00 0.00 O ATOM 62 CB THR A 5 -15.968 20.239 -1.257 1.00 0.00 C ATOM 63 OG1 THR A 5 -15.963 19.463 -2.446 1.00 0.00 O ATOM 64 CG2 THR A 5 -14.675 21.072 -1.285 1.00 0.00 C ATOM 0 HA THR A 5 -15.997 20.083 0.851 1.00 0.00 H new ATOM 0 HB THR A 5 -16.867 20.855 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.933 20.057 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.647 21.670 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.648 21.731 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.813 20.406 -1.262 1.00 0.00 H new ATOM 72 N GLU A 6 -18.497 19.225 -0.100 1.00 0.00 N ATOM 73 CA GLU A 6 -19.707 18.486 -0.284 1.00 0.00 C ATOM 74 C GLU A 6 -19.853 17.906 -1.649 1.00 0.00 C ATOM 75 O GLU A 6 -20.436 16.834 -1.810 1.00 0.00 O ATOM 76 CB GLU A 6 -20.854 19.469 0.005 1.00 0.00 C ATOM 77 CG GLU A 6 -22.262 18.913 -0.220 1.00 0.00 C ATOM 78 CD GLU A 6 -23.264 20.018 0.079 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.642 20.809 -0.826 1.00 0.00 O ATOM 80 OE2 GLU A 6 -23.787 19.954 1.224 1.00 0.00 O ATOM 0 H GLU A 6 -18.636 20.232 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.710 17.627 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.773 19.802 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.724 20.349 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.374 18.566 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.439 18.054 0.427 1.00 0.00 H new ATOM 87 N GLU A 7 -19.334 18.551 -2.709 1.00 0.00 N ATOM 88 CA GLU A 7 -19.417 18.144 -4.077 1.00 0.00 C ATOM 89 C GLU A 7 -18.449 17.053 -4.383 1.00 0.00 C ATOM 90 O GLU A 7 -18.701 16.203 -5.236 1.00 0.00 O ATOM 91 CB GLU A 7 -19.291 19.357 -5.013 1.00 0.00 C ATOM 92 CG GLU A 7 -20.385 20.376 -4.687 1.00 0.00 C ATOM 93 CD GLU A 7 -20.129 21.690 -5.412 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.275 21.632 -6.662 1.00 0.00 O ATOM 95 OE2 GLU A 7 -19.678 22.706 -4.819 1.00 0.00 O ATOM 0 H GLU A 7 -18.817 19.424 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.404 17.717 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.308 19.815 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.376 19.037 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.358 19.978 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.419 20.549 -3.611 1.00 0.00 H new ATOM 102 N GLN A 8 -17.367 16.925 -3.595 1.00 0.00 N ATOM 103 CA GLN A 8 -16.546 15.757 -3.504 1.00 0.00 C ATOM 104 C GLN A 8 -17.232 14.666 -2.756 1.00 0.00 C ATOM 105 O GLN A 8 -17.198 13.504 -3.157 1.00 0.00 O ATOM 106 CB GLN A 8 -15.193 16.110 -2.864 1.00 0.00 C ATOM 107 CG GLN A 8 -14.279 16.927 -3.779 1.00 0.00 C ATOM 108 CD GLN A 8 -13.046 17.331 -2.984 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.068 17.649 -1.796 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.876 17.321 -3.678 1.00 0.00 N ATOM 0 H GLN A 8 -17.047 17.679 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.364 15.387 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.370 16.671 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.682 15.189 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.993 16.340 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.801 17.811 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.869 17.056 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.005 17.579 -3.213 1.00 0.00 H new ATOM 119 N ILE A 9 -17.936 14.917 -1.638 1.00 0.00 N ATOM 120 CA ILE A 9 -18.535 13.841 -0.912 1.00 0.00 C ATOM 121 C ILE A 9 -19.655 13.186 -1.645 1.00 0.00 C ATOM 122 O ILE A 9 -19.854 11.973 -1.682 1.00 0.00 O ATOM 123 CB ILE A 9 -18.929 14.311 0.457 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.371 13.284 1.457 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.422 14.482 0.788 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.884 13.515 1.725 1.00 0.00 C ATOM 0 H ILE A 9 -18.089 15.845 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.788 13.055 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.528 15.323 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.925 13.348 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.520 12.277 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.529 14.827 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.863 15.214 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.932 13.526 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.523 12.772 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.328 13.425 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.740 14.513 2.139 1.00 0.00 H new ATOM 138 N ALA A 10 -20.442 14.059 -2.300 1.00 0.00 N ATOM 139 CA ALA A 10 -21.396 13.684 -3.296 1.00 0.00 C ATOM 140 C ALA A 10 -20.900 13.050 -4.550 1.00 0.00 C ATOM 141 O ALA A 10 -21.599 12.222 -5.131 1.00 0.00 O ATOM 142 CB ALA A 10 -22.354 14.840 -3.630 1.00 0.00 C ATOM 0 H ALA A 10 -20.412 15.064 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.919 12.869 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.064 14.516 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -22.895 15.135 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.783 15.689 -4.005 1.00 0.00 H new ATOM 148 N GLU A 11 -19.707 13.390 -5.069 1.00 0.00 N ATOM 149 CA GLU A 11 -19.099 12.606 -6.100 1.00 0.00 C ATOM 150 C GLU A 11 -18.688 11.217 -5.751 1.00 0.00 C ATOM 151 O GLU A 11 -19.004 10.224 -6.404 1.00 0.00 O ATOM 152 CB GLU A 11 -17.891 13.361 -6.679 1.00 0.00 C ATOM 153 CG GLU A 11 -17.282 12.796 -7.964 1.00 0.00 C ATOM 154 CD GLU A 11 -16.048 13.567 -8.412 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.983 13.278 -7.804 1.00 0.00 O ATOM 156 OE2 GLU A 11 -16.184 14.519 -9.226 1.00 0.00 O ATOM 0 H GLU A 11 -19.165 14.203 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.900 12.472 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.192 14.391 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.112 13.392 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.016 11.751 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.029 12.820 -8.757 1.00 0.00 H new ATOM 163 N PHE A 12 -18.036 11.024 -4.591 1.00 0.00 N ATOM 164 CA PHE A 12 -17.949 9.811 -3.838 1.00 0.00 C ATOM 165 C PHE A 12 -19.240 9.108 -3.597 1.00 0.00 C ATOM 166 O PHE A 12 -19.303 7.914 -3.887 1.00 0.00 O ATOM 167 CB PHE A 12 -17.368 10.169 -2.460 1.00 0.00 C ATOM 168 CG PHE A 12 -15.889 9.994 -2.495 1.00 0.00 C ATOM 169 CD1 PHE A 12 -15.293 8.836 -2.937 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.127 11.119 -2.284 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.921 8.787 -3.016 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.768 11.090 -2.490 1.00 0.00 C ATOM 173 CZ PHE A 12 -13.149 9.908 -2.822 1.00 0.00 C ATOM 0 H PHE A 12 -17.525 11.784 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.336 9.132 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.619 11.198 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.804 9.532 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.891 7.981 -3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.600 12.032 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.439 7.846 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.187 11.995 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.075 9.861 -2.929 1.00 0.00 H new ATOM 183 N LYS A 13 -20.325 9.728 -3.099 1.00 0.00 N ATOM 184 CA LYS A 13 -21.597 9.075 -3.132 1.00 0.00 C ATOM 185 C LYS A 13 -22.140 8.670 -4.459 1.00 0.00 C ATOM 186 O LYS A 13 -22.916 7.722 -4.562 1.00 0.00 O ATOM 187 CB LYS A 13 -22.592 9.941 -2.340 1.00 0.00 C ATOM 188 CG LYS A 13 -23.862 9.211 -1.896 1.00 0.00 C ATOM 189 CD LYS A 13 -24.643 9.932 -0.796 1.00 0.00 C ATOM 190 CE LYS A 13 -25.079 11.314 -1.288 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.770 12.009 -0.179 1.00 0.00 N ATOM 0 H LYS A 13 -20.325 10.659 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.438 8.100 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.088 10.335 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.876 10.796 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -24.512 9.077 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.592 8.216 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -25.517 9.345 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.024 10.032 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.214 11.890 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.743 11.219 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.074 12.952 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -26.602 11.457 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.120 12.108 0.627 1.00 0.00 H new ATOM 205 N GLU A 14 -21.796 9.408 -5.530 1.00 0.00 N ATOM 206 CA GLU A 14 -22.195 8.968 -6.831 1.00 0.00 C ATOM 207 C GLU A 14 -21.427 7.770 -7.273 1.00 0.00 C ATOM 208 O GLU A 14 -22.039 6.883 -7.867 1.00 0.00 O ATOM 209 CB GLU A 14 -21.959 10.113 -7.829 1.00 0.00 C ATOM 210 CG GLU A 14 -22.666 9.901 -9.169 1.00 0.00 C ATOM 211 CD GLU A 14 -24.166 9.729 -8.982 1.00 0.00 C ATOM 212 OE1 GLU A 14 -24.778 10.587 -8.291 1.00 0.00 O ATOM 213 OE2 GLU A 14 -24.744 8.852 -9.678 1.00 0.00 O ATOM 0 H GLU A 14 -21.262 10.277 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 14 -23.249 8.692 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -22.304 11.048 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.888 10.219 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.474 10.752 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.256 9.021 -9.664 1.00 0.00 H new ATOM 220 N ALA A 15 -20.127 7.736 -6.927 1.00 0.00 N ATOM 221 CA ALA A 15 -19.272 6.631 -7.230 1.00 0.00 C ATOM 222 C ALA A 15 -19.488 5.459 -6.336 1.00 0.00 C ATOM 223 O ALA A 15 -19.209 4.324 -6.715 1.00 0.00 O ATOM 224 CB ALA A 15 -17.822 7.092 -7.010 1.00 0.00 C ATOM 0 H ALA A 15 -19.661 8.492 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.487 6.324 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.141 6.270 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.604 7.933 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.692 7.400 -5.973 1.00 0.00 H new ATOM 230 N PHE A 16 -20.120 5.597 -5.156 1.00 0.00 N ATOM 231 CA PHE A 16 -20.610 4.538 -4.329 1.00 0.00 C ATOM 232 C PHE A 16 -21.620 3.725 -5.063 1.00 0.00 C ATOM 233 O PHE A 16 -21.687 2.503 -4.942 1.00 0.00 O ATOM 234 CB PHE A 16 -21.305 5.221 -3.139 1.00 0.00 C ATOM 235 CG PHE A 16 -21.724 4.298 -2.047 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.896 3.586 -2.143 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.978 4.147 -0.902 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.298 2.718 -1.156 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.434 3.427 0.178 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.617 2.740 0.039 1.00 0.00 C ATOM 0 H PHE A 16 -20.301 6.516 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.798 3.879 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.631 5.970 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.184 5.751 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.517 3.712 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.003 4.608 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.123 2.039 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.881 3.402 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.020 2.206 0.887 1.00 0.00 H new ATOM 250 N SER A 17 -22.503 4.399 -5.821 1.00 0.00 N ATOM 251 CA SER A 17 -23.539 3.754 -6.565 1.00 0.00 C ATOM 252 C SER A 17 -23.155 2.957 -7.764 1.00 0.00 C ATOM 253 O SER A 17 -23.944 2.136 -8.228 1.00 0.00 O ATOM 254 CB SER A 17 -24.699 4.698 -6.925 1.00 0.00 C ATOM 255 OG SER A 17 -25.440 5.016 -5.756 1.00 0.00 O ATOM 0 H SER A 17 -22.497 5.414 -5.919 1.00 0.00 H new ATOM 0 HA SER A 17 -23.860 3.009 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.311 5.609 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.349 4.226 -7.662 1.00 0.00 H new ATOM 0 HG SER A 17 -26.177 5.619 -5.989 1.00 0.00 H new ATOM 261 N LEU A 18 -21.916 3.111 -8.266 1.00 0.00 N ATOM 262 CA LEU A 18 -21.312 2.131 -9.113 1.00 0.00 C ATOM 263 C LEU A 18 -21.120 0.823 -8.425 1.00 0.00 C ATOM 264 O LEU A 18 -21.452 -0.240 -8.948 1.00 0.00 O ATOM 265 CB LEU A 18 -20.046 2.643 -9.820 1.00 0.00 C ATOM 266 CG LEU A 18 -20.278 3.858 -10.735 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.981 4.245 -11.467 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.391 3.592 -11.762 1.00 0.00 C ATOM 0 H LEU A 18 -21.328 3.924 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.026 1.941 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.305 2.907 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.622 1.832 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.592 4.684 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.168 5.106 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.212 4.497 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.643 3.406 -12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.525 4.473 -12.390 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.115 2.741 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.323 3.373 -11.240 1.00 0.00 H new ATOM 280 N PHE A 19 -20.679 0.776 -7.156 1.00 0.00 N ATOM 281 CA PHE A 19 -20.549 -0.317 -6.243 1.00 0.00 C ATOM 282 C PHE A 19 -21.844 -0.837 -5.721 1.00 0.00 C ATOM 283 O PHE A 19 -22.080 -2.036 -5.575 1.00 0.00 O ATOM 284 CB PHE A 19 -19.572 0.084 -5.125 1.00 0.00 C ATOM 285 CG PHE A 19 -18.254 0.571 -5.620 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.540 -0.106 -6.580 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.673 1.612 -4.933 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.247 0.266 -6.859 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.381 1.985 -5.221 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.637 1.245 -6.109 1.00 0.00 C ATOM 0 H PHE A 19 -20.368 1.639 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.142 -1.165 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.031 0.864 -4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.409 -0.774 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.994 -0.928 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.230 2.135 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.710 -0.210 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.952 2.857 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.579 1.431 -6.217 1.00 0.00 H new ATOM 300 N ASP A 20 -22.799 0.025 -5.328 1.00 0.00 N ATOM 301 CA ASP A 20 -24.083 -0.425 -4.890 1.00 0.00 C ATOM 302 C ASP A 20 -25.008 -0.821 -5.990 1.00 0.00 C ATOM 303 O ASP A 20 -25.538 -0.010 -6.748 1.00 0.00 O ATOM 304 CB ASP A 20 -24.766 0.647 -4.024 1.00 0.00 C ATOM 305 CG ASP A 20 -25.978 0.107 -3.279 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.002 -1.143 -3.124 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.868 0.903 -2.875 1.00 0.00 O ATOM 0 H ASP A 20 -22.680 1.038 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.882 -1.325 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.048 1.041 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.073 1.479 -4.657 1.00 0.00 H new ATOM 312 N LYS A 21 -25.115 -2.144 -6.206 1.00 0.00 N ATOM 313 CA LYS A 21 -25.781 -2.636 -7.372 1.00 0.00 C ATOM 314 C LYS A 21 -27.266 -2.532 -7.442 1.00 0.00 C ATOM 315 O LYS A 21 -27.735 -2.030 -8.463 1.00 0.00 O ATOM 316 CB LYS A 21 -25.377 -4.097 -7.632 1.00 0.00 C ATOM 317 CG LYS A 21 -25.642 -4.392 -9.109 1.00 0.00 C ATOM 318 CD LYS A 21 -25.079 -5.742 -9.558 1.00 0.00 C ATOM 319 CE LYS A 21 -25.616 -6.343 -10.858 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.047 -5.556 -11.975 1.00 0.00 N ATOM 0 H LYS A 21 -24.747 -2.864 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.436 -1.947 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.325 -4.252 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.951 -4.772 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.717 -4.374 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.203 -3.601 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.999 -5.637 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.256 -6.461 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.331 -7.392 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.705 -6.306 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.391 -5.937 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.340 -4.562 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.009 -5.615 -11.948 1.00 0.00 H new ATOM 334 N ASP A 22 -28.014 -2.960 -6.409 1.00 0.00 N ATOM 335 CA ASP A 22 -29.426 -3.006 -6.190 1.00 0.00 C ATOM 336 C ASP A 22 -29.951 -1.685 -5.744 1.00 0.00 C ATOM 337 O ASP A 22 -30.953 -1.235 -6.296 1.00 0.00 O ATOM 338 CB ASP A 22 -29.799 -4.298 -5.444 1.00 0.00 C ATOM 339 CG ASP A 22 -28.993 -4.513 -4.171 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.136 -3.646 -3.853 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.044 -5.652 -3.634 1.00 0.00 O ATOM 0 H ASP A 22 -27.536 -3.337 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.999 -3.121 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.860 -4.271 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.649 -5.149 -6.108 1.00 0.00 H new ATOM 346 N GLY A 23 -29.119 -0.982 -4.955 1.00 0.00 N ATOM 347 CA GLY A 23 -29.302 0.436 -4.980 1.00 0.00 C ATOM 348 C GLY A 23 -30.048 0.863 -3.763 1.00 0.00 C ATOM 349 O GLY A 23 -30.762 1.864 -3.786 1.00 0.00 O ATOM 0 H GLY A 23 -28.384 -1.350 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.335 0.937 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.850 0.727 -5.876 1.00 0.00 H new ATOM 353 N ASP A 24 -29.841 0.204 -2.609 1.00 0.00 N ATOM 354 CA ASP A 24 -30.417 0.308 -1.304 1.00 0.00 C ATOM 355 C ASP A 24 -29.657 1.277 -0.465 1.00 0.00 C ATOM 356 O ASP A 24 -30.122 1.670 0.603 1.00 0.00 O ATOM 357 CB ASP A 24 -30.582 -1.056 -0.613 1.00 0.00 C ATOM 358 CG ASP A 24 -29.214 -1.723 -0.563 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.429 -1.461 0.387 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.895 -2.628 -1.379 1.00 0.00 O ATOM 0 H ASP A 24 -29.139 -0.536 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.428 0.696 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.981 -0.928 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.290 -1.678 -1.160 1.00 0.00 H new ATOM 365 N GLY A 25 -28.423 1.664 -0.837 1.00 0.00 N ATOM 366 CA GLY A 25 -27.669 2.608 -0.073 1.00 0.00 C ATOM 367 C GLY A 25 -26.567 1.988 0.715 1.00 0.00 C ATOM 368 O GLY A 25 -25.728 2.744 1.201 1.00 0.00 O ATOM 0 H GLY A 25 -27.946 1.321 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.248 3.355 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.340 3.133 0.606 1.00 0.00 H new ATOM 372 N THR A 26 -26.451 0.648 0.750 1.00 0.00 N ATOM 373 CA THR A 26 -25.341 0.001 1.378 1.00 0.00 C ATOM 374 C THR A 26 -24.626 -0.970 0.502 1.00 0.00 C ATOM 375 O THR A 26 -25.222 -1.562 -0.396 1.00 0.00 O ATOM 376 CB THR A 26 -25.669 -0.510 2.749 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.759 -1.415 2.651 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.107 0.629 3.684 1.00 0.00 C ATOM 0 H THR A 26 -27.132 0.009 0.340 1.00 0.00 H new ATOM 0 HA THR A 26 -24.597 0.781 1.541 1.00 0.00 H new ATOM 0 HB THR A 26 -24.775 -0.987 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.201 -1.302 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.337 0.223 4.669 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.302 1.358 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.993 1.114 3.276 1.00 0.00 H new ATOM 386 N ILE A 27 -23.331 -1.192 0.789 1.00 0.00 N ATOM 387 CA ILE A 27 -22.550 -2.147 0.066 1.00 0.00 C ATOM 388 C ILE A 27 -22.423 -3.392 0.876 1.00 0.00 C ATOM 389 O ILE A 27 -22.200 -3.394 2.086 1.00 0.00 O ATOM 390 CB ILE A 27 -21.230 -1.700 -0.489 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.292 -0.194 -0.792 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.834 -2.536 -1.718 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.941 0.355 -1.247 1.00 0.00 C ATOM 0 H ILE A 27 -22.822 -0.706 1.527 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.115 -2.323 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.447 -1.863 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.037 -0.010 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.619 0.342 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.873 -2.190 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.755 -3.585 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.593 -2.426 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.032 1.422 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.201 0.196 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.625 -0.161 -2.154 1.00 0.00 H new ATOM 405 N THR A 28 -22.568 -4.574 0.251 1.00 0.00 N ATOM 406 CA THR A 28 -22.454 -5.867 0.851 1.00 0.00 C ATOM 407 C THR A 28 -21.259 -6.643 0.416 1.00 0.00 C ATOM 408 O THR A 28 -20.483 -6.266 -0.461 1.00 0.00 O ATOM 409 CB THR A 28 -23.647 -6.745 0.613 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.811 -7.031 -0.768 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.897 -5.970 1.062 1.00 0.00 C ATOM 0 H THR A 28 -22.780 -4.629 -0.745 1.00 0.00 H new ATOM 0 HA THR A 28 -22.365 -5.621 1.909 1.00 0.00 H new ATOM 0 HB THR A 28 -23.507 -7.677 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.984 -6.199 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.783 -6.584 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.813 -5.725 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.983 -5.051 0.483 1.00 0.00 H new ATOM 419 N THR A 29 -20.958 -7.755 1.109 1.00 0.00 N ATOM 420 CA THR A 29 -19.828 -8.566 0.777 1.00 0.00 C ATOM 421 C THR A 29 -19.836 -9.024 -0.641 1.00 0.00 C ATOM 422 O THR A 29 -18.798 -9.095 -1.298 1.00 0.00 O ATOM 423 CB THR A 29 -19.629 -9.760 1.663 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.887 -10.398 1.825 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.472 -9.291 3.119 1.00 0.00 C ATOM 0 H THR A 29 -21.500 -8.094 1.904 1.00 0.00 H new ATOM 0 HA THR A 29 -18.990 -7.888 0.940 1.00 0.00 H new ATOM 0 HB THR A 29 -18.809 -10.343 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.783 -11.185 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.327 -10.156 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.608 -8.630 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.369 -8.754 3.427 1.00 0.00 H new ATOM 433 N LYS A 30 -20.992 -9.460 -1.172 1.00 0.00 N ATOM 434 CA LYS A 30 -21.094 -9.910 -2.525 1.00 0.00 C ATOM 435 C LYS A 30 -20.886 -8.831 -3.532 1.00 0.00 C ATOM 436 O LYS A 30 -20.378 -9.052 -4.630 1.00 0.00 O ATOM 437 CB LYS A 30 -22.369 -10.700 -2.862 1.00 0.00 C ATOM 438 CG LYS A 30 -23.652 -9.873 -2.968 1.00 0.00 C ATOM 439 CD LYS A 30 -24.808 -10.811 -3.319 1.00 0.00 C ATOM 440 CE LYS A 30 -26.059 -9.966 -3.569 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.137 -10.865 -4.036 1.00 0.00 N ATOM 0 H LYS A 30 -21.870 -9.501 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.265 -10.614 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.214 -11.219 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.513 -11.465 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.852 -9.362 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.544 -9.103 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.564 -11.398 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.983 -11.517 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.360 -9.453 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.856 -9.197 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.999 -10.311 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.841 -11.334 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.330 -11.583 -3.309 1.00 0.00 H new ATOM 455 N GLU A 31 -21.280 -7.581 -3.231 1.00 0.00 N ATOM 456 CA GLU A 31 -20.989 -6.414 -4.004 1.00 0.00 C ATOM 457 C GLU A 31 -19.559 -6.014 -3.872 1.00 0.00 C ATOM 458 O GLU A 31 -19.002 -5.535 -4.858 1.00 0.00 O ATOM 459 CB GLU A 31 -21.872 -5.263 -3.494 1.00 0.00 C ATOM 460 CG GLU A 31 -23.333 -5.502 -3.881 1.00 0.00 C ATOM 461 CD GLU A 31 -24.392 -4.549 -3.346 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.354 -4.198 -2.137 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.266 -4.155 -4.163 1.00 0.00 O ATOM 0 H GLU A 31 -21.834 -7.374 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.187 -6.633 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.785 -5.181 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.528 -4.318 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.394 -5.488 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.600 -6.509 -3.560 1.00 0.00 H new ATOM 470 N LEU A 32 -18.913 -6.134 -2.699 1.00 0.00 N ATOM 471 CA LEU A 32 -17.517 -5.858 -2.559 1.00 0.00 C ATOM 472 C LEU A 32 -16.670 -6.778 -3.369 1.00 0.00 C ATOM 473 O LEU A 32 -15.818 -6.333 -4.137 1.00 0.00 O ATOM 474 CB LEU A 32 -17.059 -5.970 -1.095 1.00 0.00 C ATOM 475 CG LEU A 32 -17.203 -4.674 -0.280 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.429 -4.536 0.638 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.992 -4.526 0.656 1.00 0.00 C ATOM 0 H LEU A 32 -19.367 -6.427 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.390 -4.837 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.634 -6.757 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.014 -6.281 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.300 -3.917 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.396 -3.573 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.339 -4.600 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.422 -5.337 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.090 -3.608 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.949 -5.380 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.078 -4.485 0.064 1.00 0.00 H new ATOM 489 N GLY A 33 -16.944 -8.091 -3.272 1.00 0.00 N ATOM 490 CA GLY A 33 -16.412 -9.125 -4.104 1.00 0.00 C ATOM 491 C GLY A 33 -16.270 -8.786 -5.548 1.00 0.00 C ATOM 492 O GLY A 33 -15.213 -9.076 -6.108 1.00 0.00 O ATOM 0 H GLY A 33 -17.581 -8.454 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.432 -9.408 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.054 -10.002 -4.017 1.00 0.00 H new ATOM 496 N THR A 34 -17.303 -8.209 -6.185 1.00 0.00 N ATOM 497 CA THR A 34 -17.302 -7.790 -7.553 1.00 0.00 C ATOM 498 C THR A 34 -16.193 -6.907 -8.012 1.00 0.00 C ATOM 499 O THR A 34 -15.732 -6.969 -9.151 1.00 0.00 O ATOM 500 CB THR A 34 -18.655 -7.483 -8.121 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.635 -8.465 -7.818 1.00 0.00 O ATOM 502 CG2 THR A 34 -18.692 -7.249 -9.641 1.00 0.00 C ATOM 0 H THR A 34 -18.191 -8.024 -5.718 1.00 0.00 H new ATOM 0 HA THR A 34 -17.010 -8.717 -8.047 1.00 0.00 H new ATOM 0 HB THR A 34 -18.893 -6.544 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.768 -8.506 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.715 -7.035 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.051 -6.404 -9.895 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.336 -8.142 -10.155 1.00 0.00 H new ATOM 510 N VAL A 35 -15.768 -5.969 -7.147 1.00 0.00 N ATOM 511 CA VAL A 35 -14.646 -5.113 -7.379 1.00 0.00 C ATOM 512 C VAL A 35 -13.429 -5.966 -7.485 1.00 0.00 C ATOM 513 O VAL A 35 -12.632 -5.848 -8.414 1.00 0.00 O ATOM 514 CB VAL A 35 -14.635 -4.036 -6.335 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.481 -3.088 -6.703 1.00 0.00 C ATOM 516 CG2 VAL A 35 -15.910 -3.176 -6.295 1.00 0.00 C ATOM 0 H VAL A 35 -16.224 -5.800 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.694 -4.570 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.543 -4.524 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.426 -2.281 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.542 -3.641 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.656 -2.669 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.817 -2.423 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.047 -2.683 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.771 -3.811 -6.087 1.00 0.00 H new ATOM 526 N MET A 36 -13.286 -6.900 -6.528 1.00 0.00 N ATOM 527 CA MET A 36 -12.126 -7.731 -6.443 1.00 0.00 C ATOM 528 C MET A 36 -11.898 -8.603 -7.630 1.00 0.00 C ATOM 529 O MET A 36 -10.784 -8.735 -8.135 1.00 0.00 O ATOM 530 CB MET A 36 -12.117 -8.595 -5.171 1.00 0.00 C ATOM 531 CG MET A 36 -12.109 -7.590 -4.017 1.00 0.00 C ATOM 532 SD MET A 36 -11.827 -8.412 -2.420 1.00 0.00 S ATOM 533 CE MET A 36 -12.229 -6.890 -1.514 1.00 0.00 C ATOM 0 H MET A 36 -13.983 -7.081 -5.805 1.00 0.00 H new ATOM 0 HA MET A 36 -11.303 -7.018 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.993 -9.242 -5.126 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.240 -9.242 -5.138 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.331 -6.846 -4.187 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.060 -7.057 -3.990 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.548 -6.778 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.127 -6.033 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.254 -6.945 -1.148 1.00 0.00 H new ATOM 543 N ARG A 37 -12.993 -9.237 -8.086 1.00 0.00 N ATOM 544 CA ARG A 37 -13.225 -9.961 -9.297 1.00 0.00 C ATOM 545 C ARG A 37 -12.891 -9.177 -10.519 1.00 0.00 C ATOM 546 O ARG A 37 -12.186 -9.620 -11.424 1.00 0.00 O ATOM 547 CB ARG A 37 -14.656 -10.518 -9.378 1.00 0.00 C ATOM 548 CG ARG A 37 -15.159 -11.392 -8.227 1.00 0.00 C ATOM 549 CD ARG A 37 -14.428 -12.736 -8.223 1.00 0.00 C ATOM 550 NE ARG A 37 -15.083 -13.475 -7.106 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.815 -14.751 -6.704 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.981 -15.638 -7.320 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.568 -15.238 -5.675 1.00 0.00 N ATOM 0 H ARG A 37 -13.838 -9.238 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.538 -10.807 -9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.337 -9.673 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.735 -11.099 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.001 -10.881 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.232 -11.554 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.541 -13.259 -9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.359 -12.613 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.806 -12.975 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.485 -15.367 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.853 -16.572 -6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.287 -14.654 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.412 -16.186 -5.333 1.00 0.00 H new ATOM 567 N SER A 38 -13.292 -7.896 -10.602 1.00 0.00 N ATOM 568 CA SER A 38 -12.875 -7.031 -11.661 1.00 0.00 C ATOM 569 C SER A 38 -11.443 -6.626 -11.593 1.00 0.00 C ATOM 570 O SER A 38 -10.848 -6.362 -12.637 1.00 0.00 O ATOM 571 CB SER A 38 -13.747 -5.764 -11.695 1.00 0.00 C ATOM 572 OG SER A 38 -15.123 -6.112 -11.714 1.00 0.00 O ATOM 0 H SER A 38 -13.914 -7.455 -9.925 1.00 0.00 H new ATOM 0 HA SER A 38 -12.998 -7.616 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.534 -5.144 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.503 -5.170 -12.576 1.00 0.00 H new ATOM 0 HG SER A 38 -15.401 -6.396 -10.818 1.00 0.00 H new ATOM 578 N LEU A 39 -10.771 -6.654 -10.428 1.00 0.00 N ATOM 579 CA LEU A 39 -9.369 -6.390 -10.337 1.00 0.00 C ATOM 580 C LEU A 39 -8.566 -7.644 -10.381 1.00 0.00 C ATOM 581 O LEU A 39 -7.342 -7.676 -10.270 1.00 0.00 O ATOM 582 CB LEU A 39 -9.151 -5.767 -8.948 1.00 0.00 C ATOM 583 CG LEU A 39 -9.771 -4.366 -8.817 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.704 -3.852 -7.369 1.00 0.00 C ATOM 585 CD2 LEU A 39 -9.041 -3.315 -9.670 1.00 0.00 C ATOM 0 H LEU A 39 -11.210 -6.864 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.062 -5.754 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.581 -6.422 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.082 -5.706 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.801 -4.485 -9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.151 -2.859 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.250 -4.533 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.663 -3.799 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.520 -2.344 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.999 -3.251 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.086 -3.604 -10.720 1.00 0.00 H new ATOM 597 N GLY A 40 -9.244 -8.772 -10.662 1.00 0.00 N ATOM 598 CA GLY A 40 -8.766 -10.071 -11.019 1.00 0.00 C ATOM 599 C GLY A 40 -8.386 -10.943 -9.872 1.00 0.00 C ATOM 600 O GLY A 40 -7.571 -11.859 -9.969 1.00 0.00 O ATOM 0 H GLY A 40 -10.264 -8.766 -10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.537 -10.577 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.900 -9.956 -11.670 1.00 0.00 H new ATOM 604 N GLN A 41 -8.964 -10.763 -8.671 1.00 0.00 N ATOM 605 CA GLN A 41 -8.616 -11.495 -7.493 1.00 0.00 C ATOM 606 C GLN A 41 -9.730 -12.428 -7.165 1.00 0.00 C ATOM 607 O GLN A 41 -10.775 -12.450 -7.813 1.00 0.00 O ATOM 608 CB GLN A 41 -8.437 -10.578 -6.271 1.00 0.00 C ATOM 609 CG GLN A 41 -7.257 -9.604 -6.285 1.00 0.00 C ATOM 610 CD GLN A 41 -7.304 -8.814 -4.985 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.579 -9.367 -3.922 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.965 -7.496 -4.996 1.00 0.00 N ATOM 0 H GLN A 41 -9.704 -10.079 -8.514 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.678 -12.011 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.351 -9.997 -6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.341 -11.210 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.314 -10.144 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.321 -8.935 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.737 -7.036 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.939 -6.969 -4.123 1.00 0.00 H new ATOM 621 N ASN A 42 -9.507 -13.444 -6.312 1.00 0.00 N ATOM 622 CA ASN A 42 -10.357 -14.535 -5.946 1.00 0.00 C ATOM 623 C ASN A 42 -10.598 -14.494 -4.477 1.00 0.00 C ATOM 624 O ASN A 42 -10.080 -15.335 -3.743 1.00 0.00 O ATOM 625 CB ASN A 42 -9.641 -15.797 -6.456 1.00 0.00 C ATOM 626 CG ASN A 42 -10.553 -17.014 -6.469 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.701 -17.146 -6.046 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.948 -18.133 -6.950 1.00 0.00 N ATOM 0 H ASN A 42 -8.616 -13.504 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.353 -14.501 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.265 -15.617 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.776 -16.001 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.446 -19.023 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.996 -18.082 -7.313 1.00 0.00 H new ATOM 635 N PRO A 43 -11.316 -13.583 -3.891 1.00 0.00 N ATOM 636 CA PRO A 43 -11.726 -13.674 -2.520 1.00 0.00 C ATOM 637 C PRO A 43 -12.662 -14.803 -2.257 1.00 0.00 C ATOM 638 O PRO A 43 -13.421 -15.085 -3.183 1.00 0.00 O ATOM 639 CB PRO A 43 -12.303 -12.297 -2.199 1.00 0.00 C ATOM 640 CG PRO A 43 -12.975 -11.915 -3.528 1.00 0.00 C ATOM 641 CD PRO A 43 -12.018 -12.507 -4.575 1.00 0.00 C ATOM 0 HA PRO A 43 -10.892 -13.914 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.017 -12.335 -1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.528 -11.586 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.977 -12.337 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.074 -10.835 -3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.565 -12.882 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.321 -11.753 -4.941 1.00 0.00 H new ATOM 649 N THR A 44 -12.685 -15.358 -1.033 1.00 0.00 N ATOM 650 CA THR A 44 -13.839 -16.079 -0.594 1.00 0.00 C ATOM 651 C THR A 44 -14.672 -15.257 0.329 1.00 0.00 C ATOM 652 O THR A 44 -14.187 -14.232 0.806 1.00 0.00 O ATOM 653 CB THR A 44 -13.408 -17.319 0.132 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.480 -17.028 1.167 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.710 -18.255 -0.869 1.00 0.00 C ATOM 0 H THR A 44 -11.921 -15.310 -0.359 1.00 0.00 H new ATOM 0 HA THR A 44 -14.431 -16.332 -1.474 1.00 0.00 H new ATOM 0 HB THR A 44 -14.295 -17.776 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.641 -16.709 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.390 -19.162 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.404 -18.515 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.841 -17.752 -1.292 1.00 0.00 H new ATOM 663 N GLU A 45 -15.907 -15.647 0.690 1.00 0.00 N ATOM 664 CA GLU A 45 -16.823 -15.064 1.621 1.00 0.00 C ATOM 665 C GLU A 45 -16.349 -14.815 3.012 1.00 0.00 C ATOM 666 O GLU A 45 -16.469 -13.701 3.518 1.00 0.00 O ATOM 667 CB GLU A 45 -18.157 -15.819 1.738 1.00 0.00 C ATOM 668 CG GLU A 45 -18.989 -15.821 0.454 1.00 0.00 C ATOM 669 CD GLU A 45 -20.453 -16.184 0.661 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.980 -16.317 1.798 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.204 -16.253 -0.348 1.00 0.00 O ATOM 0 H GLU A 45 -16.313 -16.483 0.270 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.944 -14.091 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.954 -16.850 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.746 -15.372 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.932 -14.834 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.548 -16.525 -0.251 1.00 0.00 H new ATOM 678 N ALA A 46 -15.651 -15.831 3.549 1.00 0.00 N ATOM 679 CA ALA A 46 -14.787 -15.685 4.679 1.00 0.00 C ATOM 680 C ALA A 46 -13.847 -14.532 4.760 1.00 0.00 C ATOM 681 O ALA A 46 -13.805 -13.747 5.706 1.00 0.00 O ATOM 682 CB ALA A 46 -14.117 -17.034 4.992 1.00 0.00 C ATOM 0 H ALA A 46 -15.689 -16.783 3.186 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.473 -15.381 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.459 -16.922 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.882 -17.777 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.535 -17.360 4.130 1.00 0.00 H new ATOM 688 N GLU A 47 -13.017 -14.381 3.712 1.00 0.00 N ATOM 689 CA GLU A 47 -12.145 -13.269 3.498 1.00 0.00 C ATOM 690 C GLU A 47 -12.706 -11.896 3.349 1.00 0.00 C ATOM 691 O GLU A 47 -12.175 -10.950 3.929 1.00 0.00 O ATOM 692 CB GLU A 47 -11.188 -13.593 2.338 1.00 0.00 C ATOM 693 CG GLU A 47 -10.407 -14.891 2.552 1.00 0.00 C ATOM 694 CD GLU A 47 -9.491 -15.294 1.405 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.000 -15.647 0.308 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.234 -15.260 1.478 1.00 0.00 O ATOM 0 H GLU A 47 -12.952 -15.078 2.970 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.646 -13.176 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.760 -13.668 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.485 -12.769 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.807 -14.790 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.117 -15.698 2.729 1.00 0.00 H new ATOM 703 N LEU A 48 -13.873 -11.833 2.684 1.00 0.00 N ATOM 704 CA LEU A 48 -14.628 -10.623 2.582 1.00 0.00 C ATOM 705 C LEU A 48 -15.300 -10.321 3.877 1.00 0.00 C ATOM 706 O LEU A 48 -15.220 -9.219 4.418 1.00 0.00 O ATOM 707 CB LEU A 48 -15.741 -10.826 1.541 1.00 0.00 C ATOM 708 CG LEU A 48 -15.231 -10.793 0.090 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.199 -11.316 -0.985 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.618 -9.465 -0.384 1.00 0.00 C ATOM 0 H LEU A 48 -14.298 -12.631 2.211 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.952 -9.813 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.231 -11.782 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.496 -10.051 1.671 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.421 -11.517 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.728 -11.242 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.445 -12.358 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.111 -10.719 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.295 -9.563 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.363 -8.673 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.761 -9.216 0.241 1.00 0.00 H new ATOM 722 N GLN A 49 -15.823 -11.290 4.649 1.00 0.00 N ATOM 723 CA GLN A 49 -16.254 -11.073 5.995 1.00 0.00 C ATOM 724 C GLN A 49 -15.246 -10.605 6.988 1.00 0.00 C ATOM 725 O GLN A 49 -15.434 -9.830 7.924 1.00 0.00 O ATOM 726 CB GLN A 49 -16.835 -12.378 6.566 1.00 0.00 C ATOM 727 CG GLN A 49 -17.782 -12.183 7.751 1.00 0.00 C ATOM 728 CD GLN A 49 -18.162 -13.518 8.375 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.340 -13.729 8.661 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.164 -14.404 8.637 1.00 0.00 N ATOM 0 H GLN A 49 -15.950 -12.250 4.329 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.968 -10.257 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.368 -12.902 5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.012 -13.022 6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.306 -11.550 8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.681 -11.664 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.203 -14.180 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.377 -15.292 9.091 1.00 0.00 H new ATOM 739 N ASP A 50 -14.008 -11.105 6.825 1.00 0.00 N ATOM 740 CA ASP A 50 -12.925 -10.607 7.616 1.00 0.00 C ATOM 741 C ASP A 50 -12.600 -9.187 7.304 1.00 0.00 C ATOM 742 O ASP A 50 -12.298 -8.353 8.156 1.00 0.00 O ATOM 743 CB ASP A 50 -11.682 -11.465 7.327 1.00 0.00 C ATOM 744 CG ASP A 50 -10.669 -11.288 8.448 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.102 -11.504 9.612 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.445 -11.028 8.300 1.00 0.00 O ATOM 0 H ASP A 50 -13.759 -11.838 6.161 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.222 -10.659 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.964 -12.514 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.240 -11.174 6.374 1.00 0.00 H new ATOM 751 N MET A 51 -12.693 -8.838 6.008 1.00 0.00 N ATOM 752 CA MET A 51 -12.559 -7.452 5.682 1.00 0.00 C ATOM 753 C MET A 51 -13.614 -6.548 6.220 1.00 0.00 C ATOM 754 O MET A 51 -13.308 -5.517 6.817 1.00 0.00 O ATOM 755 CB MET A 51 -12.364 -7.158 4.185 1.00 0.00 C ATOM 756 CG MET A 51 -11.160 -7.941 3.657 1.00 0.00 C ATOM 757 SD MET A 51 -11.063 -8.239 1.867 1.00 0.00 S ATOM 758 CE MET A 51 -9.371 -7.733 1.446 1.00 0.00 C ATOM 0 H MET A 51 -12.852 -9.473 5.226 1.00 0.00 H new ATOM 0 HA MET A 51 -11.634 -7.217 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.261 -7.434 3.631 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.211 -6.090 4.031 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.257 -7.410 3.958 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.143 -8.908 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.204 -7.873 0.378 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.232 -6.682 1.700 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.660 -8.339 2.007 1.00 0.00 H new ATOM 768 N ILE A 52 -14.902 -6.869 6.007 1.00 0.00 N ATOM 769 CA ILE A 52 -16.043 -6.287 6.642 1.00 0.00 C ATOM 770 C ILE A 52 -15.865 -6.165 8.116 1.00 0.00 C ATOM 771 O ILE A 52 -16.043 -5.039 8.579 1.00 0.00 O ATOM 772 CB ILE A 52 -17.256 -6.994 6.114 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.822 -6.415 4.806 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.407 -6.911 7.130 1.00 0.00 C ATOM 775 CD1 ILE A 52 -16.884 -6.500 3.602 1.00 0.00 C ATOM 0 H ILE A 52 -15.165 -7.593 5.338 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.187 -5.237 6.387 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.909 -8.011 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.747 -6.939 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.082 -5.370 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.281 -7.428 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.101 -7.380 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.656 -5.866 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.372 -6.067 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.967 -5.950 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.643 -7.544 3.402 1.00 0.00 H new ATOM 787 N ASN A 53 -15.472 -7.224 8.846 1.00 0.00 N ATOM 788 CA ASN A 53 -15.341 -7.306 10.268 1.00 0.00 C ATOM 789 C ASN A 53 -14.416 -6.278 10.822 1.00 0.00 C ATOM 790 O ASN A 53 -14.678 -5.665 11.855 1.00 0.00 O ATOM 791 CB ASN A 53 -14.846 -8.713 10.642 1.00 0.00 C ATOM 792 CG ASN A 53 -14.769 -8.958 12.143 1.00 0.00 C ATOM 793 OD1 ASN A 53 -13.733 -9.396 12.641 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.887 -8.763 12.893 1.00 0.00 N ATOM 0 H ASN A 53 -15.223 -8.105 8.396 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.321 -7.113 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.511 -9.453 10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.859 -8.868 10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.877 -8.981 13.889 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.735 -8.399 12.459 1.00 0.00 H new ATOM 801 N GLU A 54 -13.302 -5.946 10.145 1.00 0.00 N ATOM 802 CA GLU A 54 -12.401 -4.900 10.521 1.00 0.00 C ATOM 803 C GLU A 54 -12.903 -3.504 10.388 1.00 0.00 C ATOM 804 O GLU A 54 -12.584 -2.637 11.200 1.00 0.00 O ATOM 805 CB GLU A 54 -11.112 -5.024 9.691 1.00 0.00 C ATOM 806 CG GLU A 54 -9.914 -4.254 10.251 1.00 0.00 C ATOM 807 CD GLU A 54 -8.743 -4.360 9.285 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.972 -4.080 8.078 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.594 -4.712 9.664 1.00 0.00 O ATOM 0 H GLU A 54 -13.016 -6.430 9.294 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.247 -5.050 11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.845 -6.078 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.312 -4.672 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.180 -3.208 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.633 -4.656 11.224 1.00 0.00 H new ATOM 816 N VAL A 55 -13.693 -3.308 9.318 1.00 0.00 N ATOM 817 CA VAL A 55 -14.278 -2.058 8.942 1.00 0.00 C ATOM 818 C VAL A 55 -15.502 -1.709 9.716 1.00 0.00 C ATOM 819 O VAL A 55 -15.601 -0.593 10.223 1.00 0.00 O ATOM 820 CB VAL A 55 -14.426 -2.176 7.454 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.288 -1.021 6.916 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.045 -2.157 6.777 1.00 0.00 C ATOM 0 H VAL A 55 -13.937 -4.065 8.679 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.663 -1.194 9.194 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.916 -3.123 7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.389 -1.116 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.275 -1.058 7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.811 -0.070 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.168 -2.243 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.538 -1.221 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.449 -2.993 7.142 1.00 0.00 H new ATOM 832 N ASP A 56 -16.406 -2.697 9.840 1.00 0.00 N ATOM 833 CA ASP A 56 -17.682 -2.689 10.486 1.00 0.00 C ATOM 834 C ASP A 56 -17.571 -2.750 11.971 1.00 0.00 C ATOM 835 O ASP A 56 -17.430 -3.800 12.596 1.00 0.00 O ATOM 836 CB ASP A 56 -18.565 -3.836 9.966 1.00 0.00 C ATOM 837 CG ASP A 56 -20.026 -3.410 9.978 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.352 -2.641 9.035 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.792 -3.823 10.890 1.00 0.00 O ATOM 0 H ASP A 56 -16.214 -3.614 9.436 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.153 -1.738 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.265 -4.108 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.430 -4.721 10.587 1.00 0.00 H new ATOM 844 N ALA A 57 -17.551 -1.585 12.641 1.00 0.00 N ATOM 845 CA ALA A 57 -17.431 -1.367 14.049 1.00 0.00 C ATOM 846 C ALA A 57 -18.744 -0.885 14.564 1.00 0.00 C ATOM 847 O ALA A 57 -18.861 -0.686 15.772 1.00 0.00 O ATOM 848 CB ALA A 57 -16.347 -0.291 14.229 1.00 0.00 C ATOM 0 H ALA A 57 -17.627 -0.701 12.138 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.161 -2.273 14.592 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.213 -0.084 15.291 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.407 -0.647 13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.652 0.622 13.717 1.00 0.00 H new ATOM 854 N ASP A 58 -19.758 -0.661 13.709 1.00 0.00 N ATOM 855 CA ASP A 58 -21.124 -0.337 13.984 1.00 0.00 C ATOM 856 C ASP A 58 -21.985 -1.550 14.075 1.00 0.00 C ATOM 857 O ASP A 58 -22.819 -1.509 14.977 1.00 0.00 O ATOM 858 CB ASP A 58 -21.691 0.636 12.937 1.00 0.00 C ATOM 859 CG ASP A 58 -21.561 0.324 11.453 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.029 -0.784 11.177 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.951 1.101 10.540 1.00 0.00 O ATOM 0 H ASP A 58 -19.596 -0.715 12.703 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.134 0.152 14.958 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.753 0.757 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.219 1.604 13.106 1.00 0.00 H new ATOM 866 N GLY A 59 -21.742 -2.625 13.303 1.00 0.00 N ATOM 867 CA GLY A 59 -22.208 -3.928 13.663 1.00 0.00 C ATOM 868 C GLY A 59 -23.576 -4.179 13.130 1.00 0.00 C ATOM 869 O GLY A 59 -24.360 -5.011 13.584 1.00 0.00 O ATOM 0 H GLY A 59 -21.221 -2.591 12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.521 -4.682 13.278 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.214 -4.027 14.748 1.00 0.00 H new ATOM 873 N ASN A 60 -23.823 -3.550 11.967 1.00 0.00 N ATOM 874 CA ASN A 60 -24.841 -3.870 11.014 1.00 0.00 C ATOM 875 C ASN A 60 -24.371 -4.889 10.034 1.00 0.00 C ATOM 876 O ASN A 60 -25.126 -5.767 9.620 1.00 0.00 O ATOM 877 CB ASN A 60 -25.442 -2.658 10.283 1.00 0.00 C ATOM 878 CG ASN A 60 -24.457 -1.522 10.048 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.386 -1.588 9.446 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.841 -0.293 10.487 1.00 0.00 N ATOM 0 H ASN A 60 -23.263 -2.751 11.670 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.652 -4.288 11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.837 -2.987 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.285 -2.280 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.249 0.519 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.721 -0.184 10.992 1.00 0.00 H new ATOM 887 N GLY A 61 -23.094 -4.926 9.613 1.00 0.00 N ATOM 888 CA GLY A 61 -22.414 -5.767 8.678 1.00 0.00 C ATOM 889 C GLY A 61 -22.501 -5.289 7.270 1.00 0.00 C ATOM 890 O GLY A 61 -22.139 -6.003 6.335 1.00 0.00 O ATOM 0 H GLY A 61 -22.436 -4.249 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.365 -5.839 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.830 -6.773 8.737 1.00 0.00 H new ATOM 894 N THR A 62 -23.083 -4.103 7.019 1.00 0.00 N ATOM 895 CA THR A 62 -23.101 -3.498 5.723 1.00 0.00 C ATOM 896 C THR A 62 -22.192 -2.318 5.684 1.00 0.00 C ATOM 897 O THR A 62 -22.058 -1.628 6.693 1.00 0.00 O ATOM 898 CB THR A 62 -24.476 -3.141 5.242 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.144 -2.368 6.229 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.279 -4.400 4.874 1.00 0.00 C ATOM 0 H THR A 62 -23.553 -3.550 7.735 1.00 0.00 H new ATOM 0 HA THR A 62 -22.735 -4.253 5.027 1.00 0.00 H new ATOM 0 HB THR A 62 -24.388 -2.542 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.041 -2.135 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.272 -4.111 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.763 -4.942 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.373 -5.041 5.751 1.00 0.00 H new ATOM 908 N ILE A 63 -21.610 -2.018 4.509 1.00 0.00 N ATOM 909 CA ILE A 63 -20.648 -0.961 4.494 1.00 0.00 C ATOM 910 C ILE A 63 -21.443 0.171 3.940 1.00 0.00 C ATOM 911 O ILE A 63 -21.991 0.116 2.840 1.00 0.00 O ATOM 912 CB ILE A 63 -19.297 -1.247 3.908 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.600 -2.343 4.732 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.473 0.039 4.088 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.271 -2.842 4.167 1.00 0.00 C ATOM 0 H ILE A 63 -21.791 -2.477 3.616 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.246 -0.737 5.482 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.385 -1.560 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.427 -1.963 5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.278 -3.192 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.474 -0.109 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.962 0.861 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.398 0.278 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.863 -3.612 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.432 -3.259 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.568 -2.011 4.102 1.00 0.00 H new ATOM 927 N ASP A 64 -21.550 1.207 4.790 1.00 0.00 N ATOM 928 CA ASP A 64 -22.288 2.402 4.521 1.00 0.00 C ATOM 929 C ASP A 64 -21.318 3.501 4.256 1.00 0.00 C ATOM 930 O ASP A 64 -20.113 3.266 4.326 1.00 0.00 O ATOM 931 CB ASP A 64 -23.237 2.688 5.697 1.00 0.00 C ATOM 932 CG ASP A 64 -22.690 2.486 7.103 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.199 1.367 7.407 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.789 3.439 7.921 1.00 0.00 O ATOM 0 H ASP A 64 -21.102 1.212 5.706 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.916 2.301 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.576 3.720 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.116 2.053 5.583 1.00 0.00 H new ATOM 939 N PHE A 65 -21.803 4.656 3.766 1.00 0.00 N ATOM 940 CA PHE A 65 -21.004 5.733 3.269 1.00 0.00 C ATOM 941 C PHE A 65 -19.869 6.230 4.097 1.00 0.00 C ATOM 942 O PHE A 65 -18.786 6.221 3.515 1.00 0.00 O ATOM 943 CB PHE A 65 -21.939 6.871 2.825 1.00 0.00 C ATOM 944 CG PHE A 65 -21.164 7.920 2.105 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.813 7.613 0.811 1.00 0.00 C ATOM 946 CD2 PHE A 65 -20.760 9.136 2.604 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.962 8.417 0.090 1.00 0.00 C ATOM 948 CE2 PHE A 65 -19.998 9.993 1.845 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.535 9.617 0.607 1.00 0.00 C ATOM 0 H PHE A 65 -22.803 4.848 3.714 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.454 5.298 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.722 6.477 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.434 7.305 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.214 6.722 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.045 9.422 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.627 8.104 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -19.760 10.975 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.854 10.248 0.055 1.00 0.00 H new ATOM 959 N PRO A 66 -19.912 6.742 5.291 1.00 0.00 N ATOM 960 CA PRO A 66 -18.734 7.314 5.874 1.00 0.00 C ATOM 961 C PRO A 66 -17.679 6.297 6.144 1.00 0.00 C ATOM 962 O PRO A 66 -16.482 6.545 6.014 1.00 0.00 O ATOM 963 CB PRO A 66 -19.278 7.924 7.164 1.00 0.00 C ATOM 964 CG PRO A 66 -20.621 7.274 7.531 1.00 0.00 C ATOM 965 CD PRO A 66 -21.096 6.855 6.130 1.00 0.00 C ATOM 0 HA PRO A 66 -18.239 8.033 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.562 7.780 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.407 8.999 7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.504 6.425 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.305 7.972 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.630 5.906 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -21.788 7.592 5.722 1.00 0.00 H new ATOM 973 N GLU A 67 -18.124 5.062 6.438 1.00 0.00 N ATOM 974 CA GLU A 67 -17.385 3.841 6.523 1.00 0.00 C ATOM 975 C GLU A 67 -16.594 3.450 5.322 1.00 0.00 C ATOM 976 O GLU A 67 -15.449 3.002 5.308 1.00 0.00 O ATOM 977 CB GLU A 67 -18.267 2.682 7.019 1.00 0.00 C ATOM 978 CG GLU A 67 -17.577 1.601 7.853 1.00 0.00 C ATOM 979 CD GLU A 67 -18.705 0.663 8.257 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.254 -0.140 7.456 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.137 0.689 9.440 1.00 0.00 O ATOM 0 H GLU A 67 -19.112 4.906 6.638 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.619 4.062 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.079 3.102 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.721 2.204 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.813 1.080 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.082 2.027 8.726 1.00 0.00 H new ATOM 988 N PHE A 68 -17.187 3.620 4.127 1.00 0.00 N ATOM 989 CA PHE A 68 -16.653 3.255 2.852 1.00 0.00 C ATOM 990 C PHE A 68 -15.544 4.185 2.501 1.00 0.00 C ATOM 991 O PHE A 68 -14.535 3.819 1.900 1.00 0.00 O ATOM 992 CB PHE A 68 -17.782 3.144 1.813 1.00 0.00 C ATOM 993 CG PHE A 68 -17.212 2.579 0.558 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.746 1.286 0.591 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.253 3.247 -0.643 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.243 0.689 -0.541 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.774 2.675 -1.798 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.279 1.394 -1.721 1.00 0.00 C ATOM 0 H PHE A 68 -18.111 4.045 4.048 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.206 2.261 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.581 2.505 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.220 4.124 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.775 0.732 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.670 4.242 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.830 -0.308 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.786 3.213 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.905 0.925 -2.619 1.00 0.00 H new ATOM 1008 N LEU A 69 -15.714 5.496 2.751 1.00 0.00 N ATOM 1009 CA LEU A 69 -14.715 6.496 2.538 1.00 0.00 C ATOM 1010 C LEU A 69 -13.536 6.227 3.409 1.00 0.00 C ATOM 1011 O LEU A 69 -12.408 6.191 2.920 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.216 7.946 2.657 1.00 0.00 C ATOM 1013 CG LEU A 69 -14.155 9.043 2.467 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -13.560 9.047 1.049 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.655 10.437 2.882 1.00 0.00 C ATOM 0 H LEU A 69 -16.587 5.875 3.118 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.414 6.416 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.004 8.099 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.670 8.073 3.640 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.344 8.790 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.817 9.840 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.087 8.085 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.354 9.219 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.863 11.169 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.523 10.707 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.934 10.425 3.935 1.00 0.00 H new ATOM 1027 N THR A 70 -13.681 6.093 4.739 1.00 0.00 N ATOM 1028 CA THR A 70 -12.657 5.710 5.661 1.00 0.00 C ATOM 1029 C THR A 70 -11.948 4.458 5.276 1.00 0.00 C ATOM 1030 O THR A 70 -10.727 4.462 5.427 1.00 0.00 O ATOM 1031 CB THR A 70 -13.066 5.792 7.102 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.309 7.138 7.482 1.00 0.00 O ATOM 1033 CG2 THR A 70 -11.938 5.305 8.027 1.00 0.00 C ATOM 0 H THR A 70 -14.574 6.264 5.201 1.00 0.00 H new ATOM 0 HA THR A 70 -11.893 6.482 5.575 1.00 0.00 H new ATOM 0 HB THR A 70 -13.959 5.175 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.576 7.169 8.424 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.263 5.376 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.697 4.268 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.054 5.925 7.880 1.00 0.00 H new ATOM 1041 N MET A 71 -12.631 3.427 4.745 1.00 0.00 N ATOM 1042 CA MET A 71 -12.030 2.150 4.516 1.00 0.00 C ATOM 1043 C MET A 71 -11.316 2.211 3.209 1.00 0.00 C ATOM 1044 O MET A 71 -10.212 1.685 3.085 1.00 0.00 O ATOM 1045 CB MET A 71 -12.959 0.925 4.555 1.00 0.00 C ATOM 1046 CG MET A 71 -13.922 0.588 3.416 1.00 0.00 C ATOM 1047 SD MET A 71 -14.065 -1.123 2.816 1.00 0.00 S ATOM 1048 CE MET A 71 -12.392 -1.531 2.239 1.00 0.00 C ATOM 0 H MET A 71 -13.612 3.481 4.471 1.00 0.00 H new ATOM 0 HA MET A 71 -11.363 1.982 5.362 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.320 0.053 4.691 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.564 1.021 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.917 0.905 3.729 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.644 1.207 2.563 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.398 -2.517 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.068 -0.789 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.705 -1.532 3.086 1.00 0.00 H new ATOM 1058 N MET A 72 -11.742 2.955 2.173 1.00 0.00 N ATOM 1059 CA MET A 72 -11.013 3.108 0.953 1.00 0.00 C ATOM 1060 C MET A 72 -9.829 3.965 1.238 1.00 0.00 C ATOM 1061 O MET A 72 -8.748 3.507 0.870 1.00 0.00 O ATOM 1062 CB MET A 72 -11.868 3.722 -0.169 1.00 0.00 C ATOM 1063 CG MET A 72 -12.896 2.750 -0.751 1.00 0.00 C ATOM 1064 SD MET A 72 -12.289 1.327 -1.706 1.00 0.00 S ATOM 1065 CE MET A 72 -12.181 2.324 -3.221 1.00 0.00 C ATOM 0 H MET A 72 -12.624 3.467 2.185 1.00 0.00 H new ATOM 0 HA MET A 72 -10.706 2.125 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.387 4.599 0.218 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.212 4.067 -0.968 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.495 2.366 0.074 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.567 3.320 -1.393 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.768 1.718 -4.027 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.176 2.670 -3.501 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.534 3.184 -3.046 1.00 0.00 H new ATOM 1075 N ALA A 73 -9.949 5.101 1.948 1.00 0.00 N ATOM 1076 CA ALA A 73 -8.797 5.882 2.277 1.00 0.00 C ATOM 1077 C ALA A 73 -7.773 5.229 3.140 1.00 0.00 C ATOM 1078 O ALA A 73 -6.586 5.509 2.983 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.318 7.210 2.852 1.00 0.00 C ATOM 0 H ALA A 73 -10.833 5.476 2.291 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.220 6.035 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.475 7.846 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.930 7.715 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.919 7.011 3.739 1.00 0.00 H new ATOM 1234 N GLU A 83 0.367 7.409 -6.086 1.00 0.00 N ATOM 1235 CA GLU A 83 -0.671 7.221 -7.051 1.00 0.00 C ATOM 1236 C GLU A 83 -1.834 8.138 -6.889 1.00 0.00 C ATOM 1237 O GLU A 83 -2.431 8.565 -7.876 1.00 0.00 O ATOM 1238 CB GLU A 83 -1.241 5.793 -7.007 1.00 0.00 C ATOM 1239 CG GLU A 83 -1.851 5.280 -8.313 1.00 0.00 C ATOM 1240 CD GLU A 83 -0.948 5.177 -9.534 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -0.290 4.120 -9.727 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -0.926 6.202 -10.267 1.00 0.00 O ATOM 0 HA GLU A 83 -0.175 7.433 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.444 5.113 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.004 5.750 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.266 4.291 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.686 5.932 -8.570 1.00 0.00 H new ATOM 1249 N GLU A 84 -2.216 8.554 -5.668 1.00 0.00 N ATOM 1250 CA GLU A 84 -3.229 9.537 -5.441 1.00 0.00 C ATOM 1251 C GLU A 84 -2.797 10.912 -5.818 1.00 0.00 C ATOM 1252 O GLU A 84 -3.643 11.712 -6.215 1.00 0.00 O ATOM 1253 CB GLU A 84 -3.704 9.505 -3.978 1.00 0.00 C ATOM 1254 CG GLU A 84 -4.878 10.434 -3.666 1.00 0.00 C ATOM 1255 CD GLU A 84 -5.309 10.047 -2.258 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -6.304 9.302 -2.056 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -4.939 10.785 -1.307 1.00 0.00 O ATOM 0 H GLU A 84 -1.804 8.192 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.063 9.277 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.990 8.484 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.867 9.771 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.579 11.481 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.690 10.300 -4.380 1.00 0.00 H new ATOM 1264 N ILE A 85 -1.496 11.253 -5.787 1.00 0.00 N ATOM 1265 CA ILE A 85 -0.916 12.482 -6.232 1.00 0.00 C ATOM 1266 C ILE A 85 -0.909 12.572 -7.719 1.00 0.00 C ATOM 1267 O ILE A 85 -1.274 13.647 -8.191 1.00 0.00 O ATOM 1268 CB ILE A 85 0.474 12.696 -5.711 1.00 0.00 C ATOM 1269 CG1 ILE A 85 0.729 12.270 -4.255 1.00 0.00 C ATOM 1270 CG2 ILE A 85 0.968 14.122 -6.010 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -0.306 12.868 -3.303 1.00 0.00 C ATOM 0 H ILE A 85 -0.792 10.613 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.548 13.271 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 85 1.086 11.991 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.704 11.183 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.727 12.586 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.978 14.246 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.972 14.287 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.304 14.844 -5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.093 12.545 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.262 13.956 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.302 12.531 -3.590 1.00 0.00 H new ATOM 1283 N ARG A 86 -0.434 11.538 -8.437 1.00 0.00 N ATOM 1284 CA ARG A 86 -0.572 11.461 -9.858 1.00 0.00 C ATOM 1285 C ARG A 86 -1.943 11.682 -10.397 1.00 0.00 C ATOM 1286 O ARG A 86 -2.195 12.404 -11.360 1.00 0.00 O ATOM 1287 CB ARG A 86 -0.033 10.120 -10.385 1.00 0.00 C ATOM 1288 CG ARG A 86 1.415 9.782 -10.025 1.00 0.00 C ATOM 1289 CD ARG A 86 1.999 8.549 -10.718 1.00 0.00 C ATOM 1290 NE ARG A 86 1.561 7.374 -9.914 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.343 6.729 -9.000 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.485 7.210 -8.427 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.037 5.429 -8.718 1.00 0.00 N ATOM 0 H ARG A 86 0.054 10.743 -8.024 1.00 0.00 H new ATOM 0 HA ARG A 86 0.021 12.300 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.674 9.322 -10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.125 10.118 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.040 10.642 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.477 9.634 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.641 8.473 -11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.087 8.606 -10.763 1.00 0.00 H new ATOM 0 HE ARG A 86 0.612 7.028 -10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.828 8.138 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.995 6.641 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.250 4.978 -9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.595 4.909 -8.041 1.00 0.00 H new ATOM 1307 N GLU A 87 -2.967 11.130 -9.721 1.00 0.00 N ATOM 1308 CA GLU A 87 -4.330 11.402 -10.058 1.00 0.00 C ATOM 1309 C GLU A 87 -4.712 12.799 -9.709 1.00 0.00 C ATOM 1310 O GLU A 87 -5.417 13.442 -10.485 1.00 0.00 O ATOM 1311 CB GLU A 87 -5.292 10.358 -9.468 1.00 0.00 C ATOM 1312 CG GLU A 87 -6.555 10.244 -10.324 1.00 0.00 C ATOM 1313 CD GLU A 87 -7.488 9.115 -9.912 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -7.106 7.915 -9.872 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -8.707 9.402 -9.772 1.00 0.00 O ATOM 0 H GLU A 87 -2.849 10.491 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.420 11.315 -11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.796 9.389 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.561 10.638 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.100 11.187 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.263 10.098 -11.364 1.00 0.00 H new ATOM 1322 N ALA A 88 -4.134 13.360 -8.632 1.00 0.00 N ATOM 1323 CA ALA A 88 -4.433 14.712 -8.276 1.00 0.00 C ATOM 1324 C ALA A 88 -3.757 15.731 -9.126 1.00 0.00 C ATOM 1325 O ALA A 88 -4.312 16.788 -9.424 1.00 0.00 O ATOM 1326 CB ALA A 88 -4.121 14.890 -6.780 1.00 0.00 C ATOM 0 H ALA A 88 -3.471 12.888 -8.017 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.492 14.890 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.341 15.915 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.734 14.203 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.067 14.678 -6.600 1.00 0.00 H new ATOM 1332 N PHE A 89 -2.616 15.383 -9.747 1.00 0.00 N ATOM 1333 CA PHE A 89 -1.870 16.031 -10.782 1.00 0.00 C ATOM 1334 C PHE A 89 -2.742 16.037 -11.990 1.00 0.00 C ATOM 1335 O PHE A 89 -2.902 17.088 -12.608 1.00 0.00 O ATOM 1336 CB PHE A 89 -0.520 15.341 -11.037 1.00 0.00 C ATOM 1337 CG PHE A 89 0.298 16.098 -12.026 1.00 0.00 C ATOM 1338 CD1 PHE A 89 0.193 16.042 -13.396 1.00 0.00 C ATOM 1339 CD2 PHE A 89 1.249 16.951 -11.517 1.00 0.00 C ATOM 1340 CE1 PHE A 89 0.949 16.843 -14.220 1.00 0.00 C ATOM 1341 CE2 PHE A 89 2.054 17.729 -12.315 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.855 17.722 -13.676 1.00 0.00 C ATOM 0 H PHE A 89 -2.152 14.515 -9.478 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.611 17.050 -10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.029 15.254 -10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.690 14.328 -11.402 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.505 15.347 -13.839 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.369 17.012 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.831 16.781 -15.292 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.832 18.338 -11.879 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.405 18.401 -14.311 1.00 0.00 H new ATOM 1352 N ARG A 90 -3.213 14.831 -12.356 1.00 0.00 N ATOM 1353 CA ARG A 90 -3.921 14.596 -13.576 1.00 0.00 C ATOM 1354 C ARG A 90 -5.287 15.191 -13.570 1.00 0.00 C ATOM 1355 O ARG A 90 -5.776 15.716 -14.569 1.00 0.00 O ATOM 1356 CB ARG A 90 -4.035 13.075 -13.774 1.00 0.00 C ATOM 1357 CG ARG A 90 -4.672 12.642 -15.097 1.00 0.00 C ATOM 1358 CD ARG A 90 -4.956 11.143 -15.212 1.00 0.00 C ATOM 1359 NE ARG A 90 -6.157 10.819 -14.392 1.00 0.00 N ATOM 1360 CZ ARG A 90 -6.980 9.768 -14.677 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -6.665 8.775 -15.560 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -8.209 9.810 -14.084 1.00 0.00 N ATOM 0 H ARG A 90 -3.097 13.994 -11.785 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.369 15.070 -14.388 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.038 12.639 -13.708 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.620 12.659 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.607 13.186 -15.229 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.014 12.937 -15.914 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.125 10.869 -16.254 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.097 10.568 -14.867 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.373 11.406 -13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.770 8.793 -16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.324 8.015 -15.730 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.456 10.591 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.881 9.060 -14.249 1.00 0.00 H new ATOM 1376 N VAL A 91 -5.957 15.297 -12.409 1.00 0.00 N ATOM 1377 CA VAL A 91 -7.098 16.136 -12.204 1.00 0.00 C ATOM 1378 C VAL A 91 -6.961 17.553 -12.642 1.00 0.00 C ATOM 1379 O VAL A 91 -7.831 18.149 -13.275 1.00 0.00 O ATOM 1380 CB VAL A 91 -7.457 16.107 -10.748 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -8.279 17.344 -10.350 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -8.289 14.892 -10.306 1.00 0.00 C ATOM 0 H VAL A 91 -5.692 14.774 -11.574 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.877 15.721 -12.844 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.486 16.068 -10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.523 17.293 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.698 18.245 -10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.200 17.372 -10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.497 14.963 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.228 14.874 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.732 13.977 -10.507 1.00 0.00 H new ATOM 1392 N PHE A 92 -5.779 18.148 -12.401 1.00 0.00 N ATOM 1393 CA PHE A 92 -5.449 19.409 -12.989 1.00 0.00 C ATOM 1394 C PHE A 92 -5.131 19.393 -14.444 1.00 0.00 C ATOM 1395 O PHE A 92 -5.862 19.961 -15.254 1.00 0.00 O ATOM 1396 CB PHE A 92 -4.328 20.178 -12.269 1.00 0.00 C ATOM 1397 CG PHE A 92 -4.643 20.439 -10.836 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -5.683 21.278 -10.513 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -3.986 19.834 -9.791 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -6.166 21.436 -9.235 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -4.433 19.968 -8.497 1.00 0.00 C ATOM 1402 CZ PHE A 92 -5.557 20.715 -8.235 1.00 0.00 C ATOM 0 H PHE A 92 -5.053 17.757 -11.800 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.396 19.932 -12.859 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.401 19.609 -12.336 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.157 21.126 -12.779 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.147 21.845 -11.307 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.104 19.243 -9.989 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.991 22.100 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.902 19.487 -7.689 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.965 20.736 -7.235 1.00 0.00 H new ATOM 1412 N ASP A 93 -4.129 18.584 -14.831 1.00 0.00 N ATOM 1413 CA ASP A 93 -3.575 18.475 -16.145 1.00 0.00 C ATOM 1414 C ASP A 93 -4.478 17.873 -17.167 1.00 0.00 C ATOM 1415 O ASP A 93 -4.660 16.663 -17.287 1.00 0.00 O ATOM 1416 CB ASP A 93 -2.289 17.641 -16.018 1.00 0.00 C ATOM 1417 CG ASP A 93 -1.235 17.775 -17.107 1.00 0.00 C ATOM 1418 OD1 ASP A 93 -1.020 18.893 -17.647 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -0.542 16.791 -17.482 1.00 0.00 O ATOM 0 H ASP A 93 -3.670 17.956 -14.171 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.393 19.485 -16.512 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.820 17.895 -15.067 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.577 16.591 -15.961 1.00 0.00 H new ATOM 1424 N LYS A 94 -4.958 18.706 -18.108 1.00 0.00 N ATOM 1425 CA LYS A 94 -6.074 18.346 -18.927 1.00 0.00 C ATOM 1426 C LYS A 94 -5.789 17.555 -20.157 1.00 0.00 C ATOM 1427 O LYS A 94 -6.450 16.577 -20.503 1.00 0.00 O ATOM 1428 CB LYS A 94 -6.928 19.550 -19.357 1.00 0.00 C ATOM 1429 CG LYS A 94 -7.584 20.399 -18.266 1.00 0.00 C ATOM 1430 CD LYS A 94 -8.330 21.625 -18.798 1.00 0.00 C ATOM 1431 CE LYS A 94 -9.607 21.263 -19.558 1.00 0.00 C ATOM 1432 NZ LYS A 94 -10.657 20.795 -18.625 1.00 0.00 N ATOM 0 H LYS A 94 -4.573 19.630 -18.302 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.612 17.695 -18.238 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.298 20.207 -19.957 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.718 19.181 -20.011 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.281 19.777 -17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.817 20.729 -17.565 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.583 22.280 -17.964 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.669 22.188 -19.457 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.966 22.131 -20.111 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.392 20.485 -20.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.558 20.700 -19.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.384 19.873 -18.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.767 21.483 -17.853 1.00 0.00 H new ATOM 1446 N ASP A 95 -4.674 17.956 -20.792 1.00 0.00 N ATOM 1447 CA ASP A 95 -3.951 17.257 -21.808 1.00 0.00 C ATOM 1448 C ASP A 95 -3.163 16.050 -21.432 1.00 0.00 C ATOM 1449 O ASP A 95 -2.988 15.103 -22.198 1.00 0.00 O ATOM 1450 CB ASP A 95 -3.230 18.381 -22.572 1.00 0.00 C ATOM 1451 CG ASP A 95 -2.150 19.116 -21.791 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -1.825 18.607 -20.685 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -1.651 20.190 -22.221 1.00 0.00 O ATOM 0 H ASP A 95 -4.240 18.853 -20.572 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.628 16.694 -22.450 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.780 17.956 -23.469 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.973 19.107 -22.902 1.00 0.00 H new ATOM 1458 N GLY A 96 -2.722 16.002 -20.162 1.00 0.00 N ATOM 1459 CA GLY A 96 -2.057 14.925 -19.499 1.00 0.00 C ATOM 1460 C GLY A 96 -0.605 14.901 -19.834 1.00 0.00 C ATOM 1461 O GLY A 96 0.039 13.861 -19.705 1.00 0.00 O ATOM 0 H GLY A 96 -2.846 16.800 -19.539 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.183 15.025 -18.421 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.515 13.979 -19.787 1.00 0.00 H new ATOM 1465 N ASN A 97 -0.057 16.025 -20.327 1.00 0.00 N ATOM 1466 CA ASN A 97 1.282 16.013 -20.830 1.00 0.00 C ATOM 1467 C ASN A 97 2.408 15.793 -19.880 1.00 0.00 C ATOM 1468 O ASN A 97 3.468 15.317 -20.284 1.00 0.00 O ATOM 1469 CB ASN A 97 1.579 17.178 -21.789 1.00 0.00 C ATOM 1470 CG ASN A 97 1.791 18.540 -21.143 1.00 0.00 C ATOM 1471 OD1 ASN A 97 1.020 18.933 -20.269 1.00 0.00 O ATOM 1472 ND2 ASN A 97 2.845 19.273 -21.592 1.00 0.00 N ATOM 0 H ASN A 97 -0.530 16.927 -20.378 1.00 0.00 H new ATOM 0 HA ASN A 97 1.262 15.075 -21.385 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.470 16.929 -22.365 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.754 17.259 -22.497 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.027 20.197 -21.201 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.454 18.898 -22.320 1.00 0.00 H new ATOM 1479 N GLY A 98 2.057 16.131 -18.626 1.00 0.00 N ATOM 1480 CA GLY A 98 2.784 16.107 -17.395 1.00 0.00 C ATOM 1481 C GLY A 98 3.236 17.453 -16.942 1.00 0.00 C ATOM 1482 O GLY A 98 4.261 17.536 -16.267 1.00 0.00 O ATOM 0 H GLY A 98 1.111 16.475 -18.458 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.157 15.664 -16.621 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.654 15.460 -17.509 1.00 0.00 H new ATOM 1486 N TYR A 99 2.503 18.533 -17.267 1.00 0.00 N ATOM 1487 CA TYR A 99 2.976 19.866 -17.057 1.00 0.00 C ATOM 1488 C TYR A 99 1.773 20.729 -16.889 1.00 0.00 C ATOM 1489 O TYR A 99 1.079 20.948 -17.880 1.00 0.00 O ATOM 1490 CB TYR A 99 3.791 20.332 -18.275 1.00 0.00 C ATOM 1491 CG TYR A 99 5.100 19.639 -18.438 1.00 0.00 C ATOM 1492 CD1 TYR A 99 6.175 20.187 -17.779 1.00 0.00 C ATOM 1493 CD2 TYR A 99 5.294 18.516 -19.207 1.00 0.00 C ATOM 1494 CE1 TYR A 99 7.453 19.716 -17.967 1.00 0.00 C ATOM 1495 CE2 TYR A 99 6.553 18.037 -19.481 1.00 0.00 C ATOM 1496 CZ TYR A 99 7.565 18.571 -18.719 1.00 0.00 C ATOM 1497 OH TYR A 99 8.858 18.038 -18.912 1.00 0.00 O ATOM 0 H TYR A 99 1.572 18.481 -17.680 1.00 0.00 H new ATOM 0 HA TYR A 99 3.621 19.919 -16.180 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.197 20.178 -19.176 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.969 21.404 -18.190 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.012 21.008 -17.097 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.435 17.997 -19.606 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.315 20.215 -17.550 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.735 17.293 -20.242 1.00 0.00 H new ATOM 0 HH TYR A 99 8.799 17.228 -19.460 1.00 0.00 H new ATOM 1507 N ILE A 100 1.536 21.335 -15.712 1.00 0.00 N ATOM 1508 CA ILE A 100 0.313 22.064 -15.574 1.00 0.00 C ATOM 1509 C ILE A 100 0.671 23.433 -16.039 1.00 0.00 C ATOM 1510 O ILE A 100 1.556 24.034 -15.432 1.00 0.00 O ATOM 1511 CB ILE A 100 -0.162 21.964 -14.155 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -0.416 20.533 -13.651 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -1.419 22.814 -13.904 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -0.307 20.437 -12.130 1.00 0.00 C ATOM 0 H ILE A 100 2.151 21.325 -14.898 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.530 21.693 -16.156 1.00 0.00 H new ATOM 0 HB ILE A 100 0.677 22.356 -13.581 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.408 20.208 -13.965 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.302 19.854 -14.110 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.726 22.710 -12.863 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.199 23.860 -14.115 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.224 22.474 -14.556 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.493 19.410 -11.816 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.693 20.736 -11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.043 21.096 -11.670 1.00 0.00 H new ATOM 1526 N SER A 101 -0.131 24.103 -16.885 1.00 0.00 N ATOM 1527 CA SER A 101 -0.053 25.526 -17.003 1.00 0.00 C ATOM 1528 C SER A 101 -1.065 26.195 -16.138 1.00 0.00 C ATOM 1529 O SER A 101 -2.042 25.602 -15.684 1.00 0.00 O ATOM 1530 CB SER A 101 -0.209 25.840 -18.501 1.00 0.00 C ATOM 1531 OG SER A 101 -1.552 25.653 -18.923 1.00 0.00 O ATOM 0 H SER A 101 -0.830 23.663 -17.484 1.00 0.00 H new ATOM 0 HA SER A 101 0.901 25.917 -16.648 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.097 26.868 -18.694 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.451 25.196 -19.082 1.00 0.00 H new ATOM 0 HG SER A 101 -1.627 25.860 -19.878 1.00 0.00 H new ATOM 1537 N ALA A 102 -0.950 27.526 -15.981 1.00 0.00 N ATOM 1538 CA ALA A 102 -1.997 28.399 -15.547 1.00 0.00 C ATOM 1539 C ALA A 102 -3.379 28.237 -16.078 1.00 0.00 C ATOM 1540 O ALA A 102 -4.380 28.309 -15.367 1.00 0.00 O ATOM 1541 CB ALA A 102 -1.528 29.851 -15.735 1.00 0.00 C ATOM 0 H ALA A 102 -0.077 28.020 -16.167 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.142 28.100 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.314 30.532 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.630 30.023 -15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.307 30.029 -16.788 1.00 0.00 H new ATOM 1547 N ALA A 103 -3.594 27.872 -17.355 1.00 0.00 N ATOM 1548 CA ALA A 103 -4.902 27.827 -17.930 1.00 0.00 C ATOM 1549 C ALA A 103 -5.628 26.590 -17.526 1.00 0.00 C ATOM 1550 O ALA A 103 -6.812 26.539 -17.198 1.00 0.00 O ATOM 1551 CB ALA A 103 -4.725 27.888 -19.457 1.00 0.00 C ATOM 0 H ALA A 103 -2.848 27.604 -17.998 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.502 28.666 -17.577 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.703 27.856 -19.938 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.217 28.814 -19.728 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.130 27.037 -19.789 1.00 0.00 H new ATOM 1557 N GLU A 104 -4.917 25.470 -17.307 1.00 0.00 N ATOM 1558 CA GLU A 104 -5.484 24.309 -16.693 1.00 0.00 C ATOM 1559 C GLU A 104 -5.820 24.453 -15.249 1.00 0.00 C ATOM 1560 O GLU A 104 -6.906 24.044 -14.838 1.00 0.00 O ATOM 1561 CB GLU A 104 -4.571 23.081 -16.848 1.00 0.00 C ATOM 1562 CG GLU A 104 -4.105 23.032 -18.304 1.00 0.00 C ATOM 1563 CD GLU A 104 -3.002 22.044 -18.656 1.00 0.00 C ATOM 1564 OE1 GLU A 104 -1.774 22.257 -18.474 1.00 0.00 O ATOM 1565 OE2 GLU A 104 -3.232 20.958 -19.252 1.00 0.00 O ATOM 0 H GLU A 104 -3.934 25.368 -17.560 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.422 24.174 -17.232 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.717 23.152 -16.175 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.108 22.169 -16.587 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.971 22.806 -18.927 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.764 24.029 -18.582 1.00 0.00 H new ATOM 1572 N LEU A 105 -5.084 25.297 -14.504 1.00 0.00 N ATOM 1573 CA LEU A 105 -5.530 25.564 -13.172 1.00 0.00 C ATOM 1574 C LEU A 105 -6.718 26.463 -13.186 1.00 0.00 C ATOM 1575 O LEU A 105 -7.441 26.576 -12.197 1.00 0.00 O ATOM 1576 CB LEU A 105 -4.377 26.127 -12.324 1.00 0.00 C ATOM 1577 CG LEU A 105 -4.555 26.032 -10.800 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -3.915 24.701 -10.369 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -3.869 27.191 -10.055 1.00 0.00 C ATOM 0 H LEU A 105 -4.230 25.770 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.845 24.630 -12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.461 25.602 -12.597 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.235 27.175 -12.589 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.615 26.087 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.014 24.582 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.418 23.875 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.859 24.701 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.025 27.077 -8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.800 27.180 -10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.295 28.138 -10.385 1.00 0.00 H new ATOM 1591 N ARG A 106 -7.049 27.260 -14.217 1.00 0.00 N ATOM 1592 CA ARG A 106 -8.205 28.100 -14.276 1.00 0.00 C ATOM 1593 C ARG A 106 -9.452 27.321 -14.516 1.00 0.00 C ATOM 1594 O ARG A 106 -10.446 27.411 -13.798 1.00 0.00 O ATOM 1595 CB ARG A 106 -8.049 29.133 -15.405 1.00 0.00 C ATOM 1596 CG ARG A 106 -8.950 30.369 -15.451 1.00 0.00 C ATOM 1597 CD ARG A 106 -8.383 31.521 -16.283 1.00 0.00 C ATOM 1598 NE ARG A 106 -9.393 32.616 -16.298 1.00 0.00 N ATOM 1599 CZ ARG A 106 -9.811 33.250 -17.432 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -10.076 32.666 -18.637 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -10.229 34.546 -17.331 1.00 0.00 N ATOM 0 H ARG A 106 -6.476 27.321 -15.059 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.287 28.597 -13.309 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.018 29.486 -15.379 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.181 28.603 -16.348 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.920 30.084 -15.858 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.121 30.719 -14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.444 31.874 -15.856 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.166 31.188 -17.298 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.796 32.909 -15.408 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.965 31.658 -18.751 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.385 33.237 -19.424 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.223 35.015 -16.425 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.547 35.046 -18.162 1.00 0.00 H new ATOM 1615 N HIS A 107 -9.346 26.480 -15.560 1.00 0.00 N ATOM 1616 CA HIS A 107 -10.417 25.599 -15.910 1.00 0.00 C ATOM 1617 C HIS A 107 -10.845 24.662 -14.834 1.00 0.00 C ATOM 1618 O HIS A 107 -12.037 24.362 -14.785 1.00 0.00 O ATOM 1619 CB HIS A 107 -10.119 24.788 -17.183 1.00 0.00 C ATOM 1620 CG HIS A 107 -9.745 25.604 -18.385 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -8.610 25.621 -19.133 1.00 0.00 N flip ATOM 1622 CD2 HIS A 107 -10.586 26.550 -18.934 1.00 0.00 C flip ATOM 1623 CE1 HIS A 107 -8.791 26.498 -20.184 1.00 0.00 C flip ATOM 1624 NE2 HIS A 107 -9.945 27.110 -19.995 1.00 0.00 N flip ATOM 0 H HIS A 107 -8.524 26.410 -16.159 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.247 26.283 -16.087 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.308 24.091 -16.970 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.997 24.190 -17.428 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.576 26.801 -18.584 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.113 26.655 -21.010 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.301 27.883 -20.557 1.00 0.00 H new ATOM 1632 N VAL A 108 -9.934 24.131 -13.999 1.00 0.00 N ATOM 1633 CA VAL A 108 -10.234 23.146 -13.007 1.00 0.00 C ATOM 1634 C VAL A 108 -10.865 23.780 -11.816 1.00 0.00 C ATOM 1635 O VAL A 108 -11.802 23.254 -11.217 1.00 0.00 O ATOM 1636 CB VAL A 108 -9.020 22.326 -12.686 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -9.206 21.391 -11.479 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -8.728 21.494 -13.947 1.00 0.00 C ATOM 0 H VAL A 108 -8.950 24.398 -14.016 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.969 22.445 -13.402 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.201 22.991 -12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.287 20.831 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.441 21.982 -10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.022 20.697 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.850 20.871 -13.777 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.585 20.859 -14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.542 22.162 -14.788 1.00 0.00 H new ATOM 1648 N MET A 109 -10.456 25.009 -11.452 1.00 0.00 N ATOM 1649 CA MET A 109 -11.014 25.848 -10.437 1.00 0.00 C ATOM 1650 C MET A 109 -12.435 26.238 -10.658 1.00 0.00 C ATOM 1651 O MET A 109 -13.226 26.013 -9.743 1.00 0.00 O ATOM 1652 CB MET A 109 -10.067 27.039 -10.211 1.00 0.00 C ATOM 1653 CG MET A 109 -8.849 26.658 -9.366 1.00 0.00 C ATOM 1654 SD MET A 109 -9.132 25.923 -7.728 1.00 0.00 S ATOM 1655 CE MET A 109 -7.431 26.223 -7.168 1.00 0.00 C ATOM 0 H MET A 109 -9.662 25.454 -11.912 1.00 0.00 H new ATOM 0 HA MET A 109 -11.081 25.267 -9.517 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.733 27.423 -11.175 1.00 0.00 H new ATOM 0 HB3 MET A 109 -10.611 27.845 -9.718 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.248 25.957 -9.946 1.00 0.00 H new ATOM 0 HG3 MET A 109 -8.246 27.556 -9.228 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.303 25.824 -6.162 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.733 25.731 -7.845 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.234 27.295 -7.161 1.00 0.00 H new ATOM 1665 N THR A 110 -12.876 26.643 -11.863 1.00 0.00 N ATOM 1666 CA THR A 110 -14.274 26.679 -12.160 1.00 0.00 C ATOM 1667 C THR A 110 -14.979 25.373 -12.021 1.00 0.00 C ATOM 1668 O THR A 110 -16.184 25.400 -11.777 1.00 0.00 O ATOM 1669 CB THR A 110 -14.609 27.325 -13.472 1.00 0.00 C ATOM 1670 OG1 THR A 110 -13.718 26.892 -14.489 1.00 0.00 O ATOM 1671 CG2 THR A 110 -14.432 28.848 -13.354 1.00 0.00 C ATOM 0 H THR A 110 -12.269 26.943 -12.626 1.00 0.00 H new ATOM 0 HA THR A 110 -14.661 27.326 -11.372 1.00 0.00 H new ATOM 0 HB THR A 110 -15.635 27.054 -13.721 1.00 0.00 H new ATOM 0 HG1 THR A 110 -13.360 26.010 -14.257 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.675 29.318 -14.307 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.096 29.233 -12.580 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.399 29.075 -13.091 1.00 0.00 H new ATOM 1679 N ASN A 111 -14.387 24.182 -12.223 1.00 0.00 N ATOM 1680 CA ASN A 111 -15.102 22.952 -12.079 1.00 0.00 C ATOM 1681 C ASN A 111 -15.499 22.698 -10.666 1.00 0.00 C ATOM 1682 O ASN A 111 -16.664 22.415 -10.390 1.00 0.00 O ATOM 1683 CB ASN A 111 -14.174 21.853 -12.622 1.00 0.00 C ATOM 1684 CG ASN A 111 -14.983 20.732 -13.259 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -14.930 20.513 -14.469 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -15.892 20.014 -12.547 1.00 0.00 N ATOM 0 H ASN A 111 -13.408 24.071 -12.487 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.040 22.980 -12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.490 22.278 -13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.563 21.453 -11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -16.488 19.334 -13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -15.978 20.155 -11.541 1.00 0.00 H new ATOM 1693 N LEU A 112 -14.532 22.900 -9.753 1.00 0.00 N ATOM 1694 CA LEU A 112 -14.731 22.766 -8.343 1.00 0.00 C ATOM 1695 C LEU A 112 -15.658 23.728 -7.683 1.00 0.00 C ATOM 1696 O LEU A 112 -16.441 23.402 -6.793 1.00 0.00 O ATOM 1697 CB LEU A 112 -13.359 22.899 -7.660 1.00 0.00 C ATOM 1698 CG LEU A 112 -12.270 21.971 -8.225 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -10.891 22.294 -7.628 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -12.609 20.474 -8.121 1.00 0.00 C ATOM 0 H LEU A 112 -13.580 23.165 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.212 21.795 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -13.021 23.931 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -13.476 22.694 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.230 22.178 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.145 21.620 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.624 23.324 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.924 22.168 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.793 19.886 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.750 20.205 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.525 20.269 -8.675 1.00 0.00 H new ATOM 1712 N GLY A 113 -15.713 24.970 -8.198 1.00 0.00 N ATOM 1713 CA GLY A 113 -16.544 26.026 -7.709 1.00 0.00 C ATOM 1714 C GLY A 113 -15.851 27.074 -6.909 1.00 0.00 C ATOM 1715 O GLY A 113 -16.518 27.997 -6.445 1.00 0.00 O ATOM 0 H GLY A 113 -15.147 25.252 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -17.029 26.505 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -17.333 25.589 -7.096 1.00 0.00 H new ATOM 1719 N GLU A 114 -14.510 26.979 -6.847 1.00 0.00 N ATOM 1720 CA GLU A 114 -13.642 27.880 -6.156 1.00 0.00 C ATOM 1721 C GLU A 114 -13.494 29.126 -6.960 1.00 0.00 C ATOM 1722 O GLU A 114 -13.151 29.086 -8.141 1.00 0.00 O ATOM 1723 CB GLU A 114 -12.278 27.226 -5.878 1.00 0.00 C ATOM 1724 CG GLU A 114 -12.328 26.510 -4.527 1.00 0.00 C ATOM 1725 CD GLU A 114 -12.330 27.567 -3.433 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -11.182 28.046 -3.233 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -13.345 27.682 -2.695 1.00 0.00 O ATOM 0 H GLU A 114 -14.002 26.225 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.077 28.132 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.033 26.518 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.493 27.982 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.221 25.889 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.470 25.848 -4.415 1.00 0.00 H new ATOM 1734 N LYS A 115 -13.843 30.299 -6.403 1.00 0.00 N ATOM 1735 CA LYS A 115 -13.672 31.543 -7.087 1.00 0.00 C ATOM 1736 C LYS A 115 -12.404 32.234 -6.718 1.00 0.00 C ATOM 1737 O LYS A 115 -12.186 32.517 -5.541 1.00 0.00 O ATOM 1738 CB LYS A 115 -14.837 32.516 -6.841 1.00 0.00 C ATOM 1739 CG LYS A 115 -16.205 31.975 -7.261 1.00 0.00 C ATOM 1740 CD LYS A 115 -17.321 32.026 -6.215 1.00 0.00 C ATOM 1741 CE LYS A 115 -18.651 31.487 -6.745 1.00 0.00 C ATOM 1742 NZ LYS A 115 -18.516 30.029 -6.959 1.00 0.00 N ATOM 0 H LYS A 115 -14.247 30.386 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.640 31.273 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.868 32.767 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.643 33.442 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.536 32.533 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.079 30.938 -7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.021 31.447 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.457 33.056 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.453 31.693 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.916 31.984 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.571 29.821 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.599 29.707 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.283 29.533 -6.462 1.00 0.00 H new ATOM 1756 N LEU A 116 -11.604 32.324 -7.795 1.00 0.00 N ATOM 1757 CA LEU A 116 -10.345 33.002 -7.763 1.00 0.00 C ATOM 1758 C LEU A 116 -10.353 33.969 -8.896 1.00 0.00 C ATOM 1759 O LEU A 116 -11.064 33.710 -9.866 1.00 0.00 O ATOM 1760 CB LEU A 116 -9.155 32.067 -8.035 1.00 0.00 C ATOM 1761 CG LEU A 116 -8.882 31.140 -6.839 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -9.809 29.941 -6.578 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -7.486 30.519 -7.020 1.00 0.00 C ATOM 0 H LEU A 116 -11.834 31.920 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.230 33.448 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.357 31.468 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.266 32.660 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.030 31.814 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.465 29.401 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.826 30.297 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.793 29.275 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.271 29.857 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.459 29.949 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.738 31.311 -7.058 1.00 0.00 H new ATOM 1775 N THR A 117 -9.456 34.968 -8.810 1.00 0.00 N ATOM 1776 CA THR A 117 -9.063 35.844 -9.870 1.00 0.00 C ATOM 1777 C THR A 117 -7.974 35.186 -10.645 1.00 0.00 C ATOM 1778 O THR A 117 -7.336 34.265 -10.137 1.00 0.00 O ATOM 1779 CB THR A 117 -8.560 37.179 -9.406 1.00 0.00 C ATOM 1780 OG1 THR A 117 -7.622 37.113 -8.343 1.00 0.00 O ATOM 1781 CG2 THR A 117 -9.746 38.038 -8.934 1.00 0.00 C ATOM 0 H THR A 117 -8.972 35.177 -7.937 1.00 0.00 H new ATOM 0 HA THR A 117 -9.955 36.029 -10.468 1.00 0.00 H new ATOM 0 HB THR A 117 -8.048 37.614 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.098 37.001 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.381 39.008 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.444 38.180 -9.759 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.254 37.536 -8.111 1.00 0.00 H new ATOM 1789 N ASP A 118 -7.757 35.672 -11.880 1.00 0.00 N ATOM 1790 CA ASP A 118 -6.757 35.097 -12.725 1.00 0.00 C ATOM 1791 C ASP A 118 -5.344 35.317 -12.308 1.00 0.00 C ATOM 1792 O ASP A 118 -4.510 34.432 -12.496 1.00 0.00 O ATOM 1793 CB ASP A 118 -7.045 35.740 -14.093 1.00 0.00 C ATOM 1794 CG ASP A 118 -8.376 35.203 -14.597 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -8.962 34.225 -14.062 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -8.982 35.852 -15.491 1.00 0.00 O ATOM 0 H ASP A 118 -8.267 36.454 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.827 34.009 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.082 36.826 -14.003 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.248 35.506 -14.799 1.00 0.00 H new ATOM 1801 N GLU A 119 -5.110 36.395 -11.538 1.00 0.00 N ATOM 1802 CA GLU A 119 -4.000 36.573 -10.655 1.00 0.00 C ATOM 1803 C GLU A 119 -3.714 35.564 -9.597 1.00 0.00 C ATOM 1804 O GLU A 119 -2.616 35.014 -9.675 1.00 0.00 O ATOM 1805 CB GLU A 119 -3.932 37.980 -10.039 1.00 0.00 C ATOM 1806 CG GLU A 119 -3.898 39.195 -10.969 1.00 0.00 C ATOM 1807 CD GLU A 119 -5.269 39.731 -11.356 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -6.087 40.165 -10.502 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -5.521 39.926 -12.575 1.00 0.00 O ATOM 0 H GLU A 119 -5.741 37.197 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.204 36.406 -11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.793 38.093 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.043 38.022 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.334 39.992 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.357 38.927 -11.877 1.00 0.00 H new ATOM 1816 N GLU A 120 -4.698 35.275 -8.727 1.00 0.00 N ATOM 1817 CA GLU A 120 -4.738 34.217 -7.766 1.00 0.00 C ATOM 1818 C GLU A 120 -4.341 32.880 -8.291 1.00 0.00 C ATOM 1819 O GLU A 120 -3.566 32.155 -7.670 1.00 0.00 O ATOM 1820 CB GLU A 120 -6.027 34.082 -6.938 1.00 0.00 C ATOM 1821 CG GLU A 120 -6.219 35.246 -5.964 1.00 0.00 C ATOM 1822 CD GLU A 120 -7.675 35.196 -5.525 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -8.037 34.541 -4.512 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -8.501 35.896 -6.171 1.00 0.00 O ATOM 0 H GLU A 120 -5.547 35.839 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.968 34.564 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.883 34.029 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.001 33.146 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.551 35.152 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.990 36.197 -6.444 1.00 0.00 H new ATOM 1831 N VAL A 121 -4.912 32.484 -9.443 1.00 0.00 N ATOM 1832 CA VAL A 121 -4.479 31.436 -10.315 1.00 0.00 C ATOM 1833 C VAL A 121 -3.008 31.400 -10.547 1.00 0.00 C ATOM 1834 O VAL A 121 -2.273 30.490 -10.166 1.00 0.00 O ATOM 1835 CB VAL A 121 -5.395 31.405 -11.503 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -4.993 30.338 -12.535 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -6.858 31.097 -11.143 1.00 0.00 C ATOM 0 H VAL A 121 -5.754 32.941 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.584 30.462 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.303 32.411 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.690 30.361 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.985 30.543 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.018 29.353 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -7.462 31.091 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.916 30.121 -10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.234 31.861 -10.462 1.00 0.00 H new ATOM 1847 N ASP A 122 -2.457 32.462 -11.160 1.00 0.00 N ATOM 1848 CA ASP A 122 -1.132 32.588 -11.683 1.00 0.00 C ATOM 1849 C ASP A 122 -0.104 32.540 -10.605 1.00 0.00 C ATOM 1850 O ASP A 122 0.926 31.873 -10.678 1.00 0.00 O ATOM 1851 CB ASP A 122 -0.994 33.927 -12.426 1.00 0.00 C ATOM 1852 CG ASP A 122 0.224 33.942 -13.338 1.00 0.00 C ATOM 1853 OD1 ASP A 122 0.078 33.408 -14.470 1.00 0.00 O ATOM 1854 OD2 ASP A 122 1.315 34.464 -12.983 1.00 0.00 O ATOM 0 H ASP A 122 -2.995 33.317 -11.302 1.00 0.00 H new ATOM 0 HA ASP A 122 -0.968 31.749 -12.360 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.892 34.110 -13.016 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -0.917 34.738 -11.702 1.00 0.00 H new ATOM 1859 N GLU A 123 -0.462 33.159 -9.465 1.00 0.00 N ATOM 1860 CA GLU A 123 0.265 33.139 -8.234 1.00 0.00 C ATOM 1861 C GLU A 123 0.559 31.776 -7.710 1.00 0.00 C ATOM 1862 O GLU A 123 1.651 31.506 -7.212 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.550 33.946 -7.208 1.00 0.00 C ATOM 1864 CG GLU A 123 0.126 34.392 -5.910 1.00 0.00 C ATOM 1865 CD GLU A 123 -0.722 35.417 -5.172 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -1.975 35.496 -5.282 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -0.101 36.174 -4.378 1.00 0.00 O ATOM 0 H GLU A 123 -1.318 33.710 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 123 1.246 33.578 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.919 34.840 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.421 33.350 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.295 33.527 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.104 34.819 -6.134 1.00 0.00 H new ATOM 1874 N MET A 124 -0.386 30.823 -7.803 1.00 0.00 N ATOM 1875 CA MET A 124 -0.113 29.488 -7.371 1.00 0.00 C ATOM 1876 C MET A 124 0.828 28.762 -8.270 1.00 0.00 C ATOM 1877 O MET A 124 1.672 27.984 -7.828 1.00 0.00 O ATOM 1878 CB MET A 124 -1.429 28.691 -7.354 1.00 0.00 C ATOM 1879 CG MET A 124 -2.403 29.215 -6.297 1.00 0.00 C ATOM 1880 SD MET A 124 -4.009 28.363 -6.270 1.00 0.00 S ATOM 1881 CE MET A 124 -3.542 26.710 -5.682 1.00 0.00 C ATOM 0 H MET A 124 -1.325 30.973 -8.171 1.00 0.00 H new ATOM 0 HA MET A 124 0.344 29.567 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.898 28.744 -8.337 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.214 27.640 -7.160 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.939 29.122 -5.315 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.572 30.278 -6.471 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.440 26.116 -5.516 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.916 26.221 -6.429 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.988 26.799 -4.747 1.00 0.00 H new ATOM 1891 N ILE A 125 0.701 29.007 -9.586 1.00 0.00 N ATOM 1892 CA ILE A 125 1.580 28.447 -10.566 1.00 0.00 C ATOM 1893 C ILE A 125 2.988 28.882 -10.346 1.00 0.00 C ATOM 1894 O ILE A 125 3.818 27.987 -10.201 1.00 0.00 O ATOM 1895 CB ILE A 125 1.171 28.804 -11.964 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -0.286 28.453 -12.309 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.096 28.136 -12.996 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -0.544 26.949 -12.390 1.00 0.00 C ATOM 0 H ILE A 125 -0.026 29.606 -9.978 1.00 0.00 H new ATOM 0 HA ILE A 125 1.512 27.365 -10.449 1.00 0.00 H new ATOM 0 HB ILE A 125 1.260 29.889 -12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.945 28.887 -11.557 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.546 28.911 -13.263 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.778 28.411 -14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.121 28.470 -12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.045 27.053 -12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.591 26.772 -12.637 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.090 26.512 -13.162 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.315 26.488 -11.429 1.00 0.00 H new ATOM 1910 N ARG A 126 3.256 30.180 -10.120 1.00 0.00 N ATOM 1911 CA ARG A 126 4.518 30.745 -9.752 1.00 0.00 C ATOM 1912 C ARG A 126 5.077 30.230 -8.470 1.00 0.00 C ATOM 1913 O ARG A 126 6.278 30.030 -8.293 1.00 0.00 O ATOM 1914 CB ARG A 126 4.499 32.278 -9.866 1.00 0.00 C ATOM 1915 CG ARG A 126 4.543 32.797 -11.305 1.00 0.00 C ATOM 1916 CD ARG A 126 4.445 34.321 -11.407 1.00 0.00 C ATOM 1917 NE ARG A 126 3.067 34.743 -11.027 1.00 0.00 N ATOM 1918 CZ ARG A 126 2.734 35.685 -10.098 1.00 0.00 C ATOM 1919 NH1 ARG A 126 3.607 36.027 -9.106 1.00 0.00 N ATOM 1920 NH2 ARG A 126 1.497 36.264 -10.115 1.00 0.00 N ATOM 0 H ARG A 126 2.530 30.892 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 126 5.240 30.388 -10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.599 32.657 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.350 32.683 -9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.471 32.468 -11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.725 32.350 -11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.177 34.791 -10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.672 34.646 -12.422 1.00 0.00 H new ATOM 0 HE ARG A 126 2.296 34.281 -11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.521 35.577 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.346 36.733 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.817 35.993 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.254 36.968 -9.418 1.00 0.00 H new ATOM 1934 N GLU A 127 4.271 30.057 -7.407 1.00 0.00 N ATOM 1935 CA GLU A 127 4.783 29.504 -6.192 1.00 0.00 C ATOM 1936 C GLU A 127 5.245 28.091 -6.292 1.00 0.00 C ATOM 1937 O GLU A 127 6.229 27.720 -5.654 1.00 0.00 O ATOM 1938 CB GLU A 127 3.828 29.821 -5.029 1.00 0.00 C ATOM 1939 CG GLU A 127 4.573 29.703 -3.698 1.00 0.00 C ATOM 1940 CD GLU A 127 3.840 30.304 -2.507 1.00 0.00 C ATOM 1941 OE1 GLU A 127 2.997 31.239 -2.554 1.00 0.00 O ATOM 1942 OE2 GLU A 127 4.285 30.056 -1.354 1.00 0.00 O ATOM 0 H GLU A 127 3.280 30.296 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 127 5.725 30.004 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.424 30.827 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.982 29.134 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.765 28.649 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.543 30.191 -3.795 1.00 0.00 H new ATOM 1949 N ALA A 128 4.676 27.296 -7.215 1.00 0.00 N ATOM 1950 CA ALA A 128 4.930 25.908 -7.448 1.00 0.00 C ATOM 1951 C ALA A 128 5.995 25.648 -8.457 1.00 0.00 C ATOM 1952 O ALA A 128 6.921 24.865 -8.255 1.00 0.00 O ATOM 1953 CB ALA A 128 3.668 25.264 -8.048 1.00 0.00 C ATOM 0 H ALA A 128 3.973 27.661 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 128 5.232 25.505 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.851 24.205 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.837 25.374 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.421 25.756 -8.989 1.00 0.00 H new ATOM 1959 N ASP A 129 5.939 26.413 -9.562 1.00 0.00 N ATOM 1960 CA ASP A 129 6.944 26.410 -10.579 1.00 0.00 C ATOM 1961 C ASP A 129 8.265 26.752 -9.980 1.00 0.00 C ATOM 1962 O ASP A 129 8.484 27.753 -9.299 1.00 0.00 O ATOM 1963 CB ASP A 129 6.593 27.344 -11.749 1.00 0.00 C ATOM 1964 CG ASP A 129 7.644 27.247 -12.846 1.00 0.00 C ATOM 1965 OD1 ASP A 129 8.138 26.127 -13.145 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.003 28.368 -13.295 1.00 0.00 O ATOM 0 H ASP A 129 5.169 27.054 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 129 6.998 25.406 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.615 27.080 -12.151 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.525 28.372 -11.393 1.00 0.00 H new ATOM 1971 N ILE A 130 9.213 25.844 -10.269 1.00 0.00 N ATOM 1972 CA ILE A 130 10.561 26.022 -9.825 1.00 0.00 C ATOM 1973 C ILE A 130 11.429 26.650 -10.860 1.00 0.00 C ATOM 1974 O ILE A 130 12.037 27.712 -10.730 1.00 0.00 O ATOM 1975 CB ILE A 130 11.129 24.745 -9.281 1.00 0.00 C ATOM 1976 CG1 ILE A 130 10.310 24.362 -8.037 1.00 0.00 C ATOM 1977 CG2 ILE A 130 12.631 24.906 -8.990 1.00 0.00 C ATOM 1978 CD1 ILE A 130 10.761 23.042 -7.412 1.00 0.00 C ATOM 0 H ILE A 130 9.049 24.992 -10.806 1.00 0.00 H new ATOM 0 HA ILE A 130 10.537 26.734 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 130 11.055 23.936 -10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.392 25.156 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.257 24.288 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 130 13.028 23.970 -8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.155 25.163 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.777 25.699 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.147 22.824 -6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 130 10.653 22.239 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.806 23.120 -7.111 1.00 0.00 H new ATOM 1990 N ASP A 131 11.529 25.986 -12.025 1.00 0.00 N ATOM 1991 CA ASP A 131 12.492 26.304 -13.033 1.00 0.00 C ATOM 1992 C ASP A 131 12.170 27.315 -14.079 1.00 0.00 C ATOM 1993 O ASP A 131 12.844 27.393 -15.104 1.00 0.00 O ATOM 1994 CB ASP A 131 13.152 25.032 -13.593 1.00 0.00 C ATOM 1995 CG ASP A 131 12.293 24.275 -14.596 1.00 0.00 C ATOM 1996 OD1 ASP A 131 11.083 24.614 -14.693 1.00 0.00 O ATOM 1997 OD2 ASP A 131 12.788 23.329 -15.264 1.00 0.00 O ATOM 0 H ASP A 131 10.922 25.205 -12.273 1.00 0.00 H new ATOM 0 HA ASP A 131 13.217 26.887 -12.465 1.00 0.00 H new ATOM 0 HB2 ASP A 131 14.094 25.304 -14.070 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.395 24.367 -12.764 1.00 0.00 H new ATOM 2002 N GLY A 132 11.123 28.128 -13.852 1.00 0.00 N ATOM 2003 CA GLY A 132 10.993 29.396 -14.501 1.00 0.00 C ATOM 2004 C GLY A 132 10.202 29.342 -15.763 1.00 0.00 C ATOM 2005 O GLY A 132 9.811 30.405 -16.241 1.00 0.00 O ATOM 0 H GLY A 132 10.360 27.905 -13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 132 10.520 30.099 -13.815 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.987 29.786 -14.721 1.00 0.00 H new ATOM 2009 N ASP A 133 9.755 28.144 -16.181 1.00 0.00 N ATOM 2010 CA ASP A 133 9.097 27.932 -17.432 1.00 0.00 C ATOM 2011 C ASP A 133 7.641 28.247 -17.396 1.00 0.00 C ATOM 2012 O ASP A 133 6.993 28.357 -18.435 1.00 0.00 O ATOM 2013 CB ASP A 133 9.585 26.557 -17.917 1.00 0.00 C ATOM 2014 CG ASP A 133 8.984 25.410 -17.117 1.00 0.00 C ATOM 2015 OD1 ASP A 133 8.089 25.601 -16.251 1.00 0.00 O ATOM 2016 OD2 ASP A 133 9.413 24.273 -17.451 1.00 0.00 O ATOM 0 H ASP A 133 9.856 27.293 -15.628 1.00 0.00 H new ATOM 0 HA ASP A 133 9.363 28.646 -18.212 1.00 0.00 H new ATOM 0 HB2 ASP A 133 9.329 26.435 -18.970 1.00 0.00 H new ATOM 0 HB3 ASP A 133 10.672 26.515 -17.846 1.00 0.00 H new ATOM 2021 N GLY A 134 7.073 28.461 -16.195 1.00 0.00 N ATOM 2022 CA GLY A 134 5.702 28.847 -16.065 1.00 0.00 C ATOM 2023 C GLY A 134 4.764 27.695 -15.948 1.00 0.00 C ATOM 2024 O GLY A 134 3.575 27.887 -15.699 1.00 0.00 O ATOM 0 H GLY A 134 7.568 28.366 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.594 29.482 -15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.419 29.448 -16.929 1.00 0.00 H new ATOM 2028 N GLN A 135 5.222 26.434 -16.051 1.00 0.00 N ATOM 2029 CA GLN A 135 4.477 25.221 -15.913 1.00 0.00 C ATOM 2030 C GLN A 135 4.939 24.450 -14.725 1.00 0.00 C ATOM 2031 O GLN A 135 6.132 24.378 -14.434 1.00 0.00 O ATOM 2032 CB GLN A 135 4.603 24.349 -17.173 1.00 0.00 C ATOM 2033 CG GLN A 135 3.984 25.077 -18.368 1.00 0.00 C ATOM 2034 CD GLN A 135 3.714 24.102 -19.506 1.00 0.00 C ATOM 2035 OE1 GLN A 135 2.554 23.967 -19.893 1.00 0.00 O ATOM 2036 NE2 GLN A 135 4.716 23.475 -20.179 1.00 0.00 N ATOM 0 H GLN A 135 6.205 26.249 -16.249 1.00 0.00 H new ATOM 0 HA GLN A 135 3.430 25.492 -15.777 1.00 0.00 H new ATOM 0 HB2 GLN A 135 5.652 24.130 -17.372 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.102 23.394 -17.017 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.054 25.559 -18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.655 25.865 -18.708 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.682 23.579 -19.868 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.501 22.901 -20.994 1.00 0.00 H new ATOM 2045 N VAL A 136 4.038 23.764 -13.999 1.00 0.00 N ATOM 2046 CA VAL A 136 4.371 22.861 -12.941 1.00 0.00 C ATOM 2047 C VAL A 136 4.360 21.447 -13.413 1.00 0.00 C ATOM 2048 O VAL A 136 3.370 20.879 -13.870 1.00 0.00 O ATOM 2049 CB VAL A 136 3.308 23.059 -11.902 1.00 0.00 C ATOM 2050 CG1 VAL A 136 3.960 22.502 -10.626 1.00 0.00 C ATOM 2051 CG2 VAL A 136 2.671 24.458 -11.839 1.00 0.00 C ATOM 0 H VAL A 136 3.033 23.842 -14.156 1.00 0.00 H new ATOM 0 HA VAL A 136 5.372 23.056 -12.557 1.00 0.00 H new ATOM 0 HB VAL A 136 2.385 22.526 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.265 22.596 -9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.209 21.451 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.868 23.063 -10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.918 24.480 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 136 3.441 25.199 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.202 24.688 -12.796 1.00 0.00 H new ATOM 2061 N ASN A 137 5.523 20.776 -13.331 1.00 0.00 N ATOM 2062 CA ASN A 137 5.532 19.362 -13.547 1.00 0.00 C ATOM 2063 C ASN A 137 5.386 18.532 -12.318 1.00 0.00 C ATOM 2064 O ASN A 137 5.048 19.081 -11.271 1.00 0.00 O ATOM 2065 CB ASN A 137 6.752 18.979 -14.402 1.00 0.00 C ATOM 2066 CG ASN A 137 8.128 18.873 -13.762 1.00 0.00 C ATOM 2067 OD1 ASN A 137 8.244 18.650 -12.557 1.00 0.00 O ATOM 2068 ND2 ASN A 137 9.217 18.929 -14.575 1.00 0.00 N ATOM 0 H ASN A 137 6.429 21.195 -13.122 1.00 0.00 H new ATOM 0 HA ASN A 137 4.624 19.121 -14.100 1.00 0.00 H new ATOM 0 HB2 ASN A 137 6.534 18.016 -14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 137 6.825 19.709 -15.208 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.150 18.785 -14.189 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.101 19.115 -15.571 1.00 0.00 H new ATOM 2075 N TYR A 138 5.583 17.201 -12.338 1.00 0.00 N ATOM 2076 CA TYR A 138 5.350 16.335 -11.225 1.00 0.00 C ATOM 2077 C TYR A 138 6.270 16.686 -10.107 1.00 0.00 C ATOM 2078 O TYR A 138 5.940 16.834 -8.931 1.00 0.00 O ATOM 2079 CB TYR A 138 5.368 14.839 -11.582 1.00 0.00 C ATOM 2080 CG TYR A 138 5.028 14.066 -10.354 1.00 0.00 C ATOM 2081 CD1 TYR A 138 3.705 14.015 -9.983 1.00 0.00 C ATOM 2082 CD2 TYR A 138 5.928 13.305 -9.646 1.00 0.00 C ATOM 2083 CE1 TYR A 138 3.334 13.260 -8.895 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.587 12.624 -8.501 1.00 0.00 C ATOM 2085 CZ TYR A 138 4.259 12.564 -8.152 1.00 0.00 C ATOM 2086 OH TYR A 138 3.705 11.846 -7.071 1.00 0.00 O ATOM 0 H TYR A 138 5.919 16.708 -13.165 1.00 0.00 H new ATOM 0 HA TYR A 138 4.327 16.504 -10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.651 14.628 -12.375 1.00 0.00 H new ATOM 0 HB3 TYR A 138 6.350 14.548 -11.955 1.00 0.00 H new ATOM 0 HD1 TYR A 138 2.962 14.564 -10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 138 6.945 13.239 -10.004 1.00 0.00 H new ATOM 0 HE1 TYR A 138 2.291 13.212 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.342 12.149 -7.892 1.00 0.00 H new ATOM 0 HH TYR A 138 4.418 11.376 -6.590 1.00 0.00 H new ATOM 2096 N GLU A 139 7.574 16.762 -10.428 1.00 0.00 N ATOM 2097 CA GLU A 139 8.589 17.120 -9.487 1.00 0.00 C ATOM 2098 C GLU A 139 8.420 18.402 -8.746 1.00 0.00 C ATOM 2099 O GLU A 139 8.677 18.504 -7.548 1.00 0.00 O ATOM 2100 CB GLU A 139 9.974 17.137 -10.154 1.00 0.00 C ATOM 2101 CG GLU A 139 11.142 17.244 -9.171 1.00 0.00 C ATOM 2102 CD GLU A 139 12.512 17.341 -9.827 1.00 0.00 C ATOM 2103 OE1 GLU A 139 12.757 18.402 -10.461 1.00 0.00 O ATOM 2104 OE2 GLU A 139 13.265 16.331 -9.862 1.00 0.00 O ATOM 0 H GLU A 139 7.931 16.570 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 139 8.491 16.336 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.092 16.228 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.020 17.976 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.992 18.121 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.128 16.374 -8.514 1.00 0.00 H new ATOM 2111 N GLU A 140 7.891 19.440 -9.420 1.00 0.00 N ATOM 2112 CA GLU A 140 7.544 20.751 -8.967 1.00 0.00 C ATOM 2113 C GLU A 140 6.315 20.688 -8.127 1.00 0.00 C ATOM 2114 O GLU A 140 6.145 21.297 -7.072 1.00 0.00 O ATOM 2115 CB GLU A 140 7.451 21.676 -10.193 1.00 0.00 C ATOM 2116 CG GLU A 140 8.770 21.608 -10.966 1.00 0.00 C ATOM 2117 CD GLU A 140 8.689 22.579 -12.136 1.00 0.00 C ATOM 2118 OE1 GLU A 140 7.830 22.448 -13.048 1.00 0.00 O ATOM 2119 OE2 GLU A 140 9.527 23.515 -12.230 1.00 0.00 O ATOM 0 H GLU A 140 7.681 19.341 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 140 8.307 21.176 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.623 21.372 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.251 22.700 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.605 21.867 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 140 8.948 20.594 -11.325 1.00 0.00 H new ATOM 2126 N PHE A 141 5.369 19.850 -8.588 1.00 0.00 N ATOM 2127 CA PHE A 141 4.101 19.655 -7.957 1.00 0.00 C ATOM 2128 C PHE A 141 4.237 18.984 -6.634 1.00 0.00 C ATOM 2129 O PHE A 141 3.784 19.482 -5.604 1.00 0.00 O ATOM 2130 CB PHE A 141 3.073 18.952 -8.859 1.00 0.00 C ATOM 2131 CG PHE A 141 1.686 18.908 -8.315 1.00 0.00 C ATOM 2132 CD1 PHE A 141 0.829 19.968 -8.492 1.00 0.00 C ATOM 2133 CD2 PHE A 141 1.246 17.711 -7.801 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -0.498 19.863 -8.145 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -0.073 17.600 -7.428 1.00 0.00 C ATOM 2136 CZ PHE A 141 -0.925 18.658 -7.638 1.00 0.00 C ATOM 0 H PHE A 141 5.492 19.288 -9.430 1.00 0.00 H new ATOM 0 HA PHE A 141 3.700 20.652 -7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.053 19.457 -9.825 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.409 17.931 -9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.201 20.893 -8.908 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.922 16.876 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.177 20.694 -8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.436 16.690 -6.974 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.971 18.538 -7.395 1.00 0.00 H new ATOM 2146 N VAL A 142 4.961 17.850 -6.615 1.00 0.00 N ATOM 2147 CA VAL A 142 5.101 16.973 -5.494 1.00 0.00 C ATOM 2148 C VAL A 142 5.762 17.580 -4.305 1.00 0.00 C ATOM 2149 O VAL A 142 5.528 17.251 -3.143 1.00 0.00 O ATOM 2150 CB VAL A 142 5.427 15.529 -5.732 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.926 15.273 -5.963 1.00 0.00 C ATOM 2152 CG2 VAL A 142 5.020 14.508 -4.655 1.00 0.00 C ATOM 0 H VAL A 142 5.479 17.527 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 142 4.050 16.866 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 142 4.812 15.363 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.092 14.209 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.260 15.833 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.489 15.596 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.322 13.509 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.511 14.757 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.939 14.534 -4.519 1.00 0.00 H new ATOM 2162 N GLN A 143 6.736 18.475 -4.551 1.00 0.00 N ATOM 2163 CA GLN A 143 7.446 19.304 -3.628 1.00 0.00 C ATOM 2164 C GLN A 143 6.569 20.415 -3.164 1.00 0.00 C ATOM 2165 O GLN A 143 6.520 20.695 -1.967 1.00 0.00 O ATOM 2166 CB GLN A 143 8.711 19.879 -4.287 1.00 0.00 C ATOM 2167 CG GLN A 143 9.434 20.926 -3.438 1.00 0.00 C ATOM 2168 CD GLN A 143 10.759 21.201 -4.134 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.470 20.275 -4.520 1.00 0.00 O ATOM 2170 NE2 GLN A 143 11.248 22.461 -3.975 1.00 0.00 N ATOM 0 H GLN A 143 7.059 18.632 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 143 7.741 18.698 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.400 19.062 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.439 20.326 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.841 21.837 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.596 20.560 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.634 23.209 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.228 22.657 -4.178 1.00 0.00 H new ATOM 2179 N MET A 144 5.733 21.030 -4.019 1.00 0.00 N ATOM 2180 CA MET A 144 4.681 21.921 -3.636 1.00 0.00 C ATOM 2181 C MET A 144 3.668 21.350 -2.705 1.00 0.00 C ATOM 2182 O MET A 144 3.262 21.945 -1.708 1.00 0.00 O ATOM 2183 CB MET A 144 3.967 22.547 -4.846 1.00 0.00 C ATOM 2184 CG MET A 144 3.031 23.715 -4.527 1.00 0.00 C ATOM 2185 SD MET A 144 4.078 25.143 -4.113 1.00 0.00 S ATOM 2186 CE MET A 144 2.665 26.284 -4.098 1.00 0.00 C ATOM 0 H MET A 144 5.794 20.899 -5.029 1.00 0.00 H new ATOM 0 HA MET A 144 5.210 22.696 -3.081 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.722 22.892 -5.553 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.391 21.770 -5.348 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.392 23.941 -5.381 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.374 23.465 -3.694 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.932 27.187 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.400 26.548 -5.122 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.814 25.803 -3.615 1.00 0.00 H new ATOM 2196 N MET A 145 3.298 20.063 -2.838 1.00 0.00 N ATOM 2197 CA MET A 145 2.478 19.359 -1.902 1.00 0.00 C ATOM 2198 C MET A 145 3.042 19.143 -0.540 1.00 0.00 C ATOM 2199 O MET A 145 2.289 19.090 0.432 1.00 0.00 O ATOM 2200 CB MET A 145 1.849 18.118 -2.556 1.00 0.00 C ATOM 2201 CG MET A 145 0.807 18.538 -3.595 1.00 0.00 C ATOM 2202 SD MET A 145 -0.362 17.189 -3.935 1.00 0.00 S ATOM 2203 CE MET A 145 -1.662 17.497 -2.704 1.00 0.00 C ATOM 0 H MET A 145 3.583 19.489 -3.632 1.00 0.00 H new ATOM 0 HA MET A 145 1.668 20.045 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.624 17.516 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.382 17.494 -1.794 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.263 19.412 -3.236 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.307 18.831 -4.518 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.442 16.742 -2.802 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.234 17.449 -1.703 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.091 18.485 -2.868 1.00 0.00 H new