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 Set 1.1: A 144 MET CE :methyl -129:sc= 0 (180deg=0) USER MOD Set 1.2: A 145 MET CE :methyl 152:sc= -0.0822 (180deg=-1.56) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -174:sc= 0.994 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HE2:sc= 1.65 K(o=3.6,f=-3.2) USER MOD Set 2.3: A 111 ASN : amide:sc= 0.952 K(o=3.6,f=0.37) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.435 K(o=0.44,f=-0.79) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 85:sc= 1.07 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -59:sc= 0.941 USER MOD Single : A 28 THR OG1 : rot -64:sc= 1 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 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 170:sc=-0.000152 (180deg=-0.0713) USER MOD Single : A 38 SER OG : rot 73:sc= 0.154 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 49 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) 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=-0.13) USER MOD Single : A 60 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.9) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 71 MET CE :methyl -122:sc= -0.424 (180deg=-1.03) USER MOD Single : A 72 MET CE :methyl -178:sc= 0 (180deg=-0.0361) USER MOD Single : A 97 ASN : amide:sc= 0.0708 K(o=0.071,f=-2.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -61:sc= 1.2 USER MOD Single : A 109 MET CE :methyl 164:sc= -0.0175 (180deg=-0.314) USER MOD Single : A 110 THR OG1 : rot 40:sc= 0.547 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -86:sc= 1.12 USER MOD Single : A 124 MET CE :methyl -122:sc= -0.0422 (180deg=-0.166) USER MOD Single : A 135 GLN : amide:sc= 0.822 K(o=0.82,f=-0.015) USER MOD Single : A 137 ASN : amide:sc= 0.147 K(o=0.15,f=-7.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0743 K(o=-0.074,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -16.940 18.846 0.973 1.00 0.00 N ATOM 59 CA THR A 5 -16.976 19.740 -0.143 1.00 0.00 C ATOM 60 C THR A 5 -17.635 19.065 -1.296 1.00 0.00 C ATOM 61 O THR A 5 -17.552 17.853 -1.485 1.00 0.00 O ATOM 62 CB THR A 5 -15.627 20.173 -0.634 1.00 0.00 C ATOM 63 OG1 THR A 5 -14.704 19.116 -0.850 1.00 0.00 O ATOM 64 CG2 THR A 5 -15.009 21.141 0.389 1.00 0.00 C ATOM 0 HA THR A 5 -17.513 20.619 0.215 1.00 0.00 H new ATOM 0 HB THR A 5 -15.803 20.639 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.854 19.484 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.027 21.461 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 5 -15.655 22.011 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.906 20.637 1.350 1.00 0.00 H new ATOM 72 N GLU A 6 -18.366 19.817 -2.139 1.00 0.00 N ATOM 73 CA GLU A 6 -19.144 19.394 -3.262 1.00 0.00 C ATOM 74 C GLU A 6 -18.503 18.327 -4.081 1.00 0.00 C ATOM 75 O GLU A 6 -19.182 17.363 -4.432 1.00 0.00 O ATOM 76 CB GLU A 6 -19.297 20.632 -4.163 1.00 0.00 C ATOM 77 CG GLU A 6 -20.346 20.499 -5.269 1.00 0.00 C ATOM 78 CD GLU A 6 -20.512 21.874 -5.900 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.991 22.815 -5.213 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.112 22.027 -7.086 1.00 0.00 O ATOM 0 H GLU A 6 -18.415 20.829 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 6 -20.081 18.982 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.555 21.488 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.333 20.851 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.029 19.770 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.293 20.146 -4.861 1.00 0.00 H new ATOM 87 N GLU A 7 -17.213 18.455 -4.439 1.00 0.00 N ATOM 88 CA GLU A 7 -16.453 17.554 -5.249 1.00 0.00 C ATOM 89 C GLU A 7 -16.080 16.260 -4.611 1.00 0.00 C ATOM 90 O GLU A 7 -16.138 15.165 -5.169 1.00 0.00 O ATOM 91 CB GLU A 7 -15.250 18.286 -5.865 1.00 0.00 C ATOM 92 CG GLU A 7 -15.605 19.435 -6.810 1.00 0.00 C ATOM 93 CD GLU A 7 -14.448 20.307 -7.277 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.046 21.161 -6.442 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.926 20.199 -8.418 1.00 0.00 O ATOM 0 H GLU A 7 -16.657 19.255 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.126 17.235 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.631 18.678 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.644 17.562 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.094 19.016 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.335 20.073 -6.313 1.00 0.00 H new ATOM 102 N GLN A 8 -15.715 16.411 -3.325 1.00 0.00 N ATOM 103 CA GLN A 8 -15.388 15.257 -2.547 1.00 0.00 C ATOM 104 C GLN A 8 -16.551 14.367 -2.270 1.00 0.00 C ATOM 105 O GLN A 8 -16.326 13.158 -2.280 1.00 0.00 O ATOM 106 CB GLN A 8 -14.547 15.598 -1.305 1.00 0.00 C ATOM 107 CG GLN A 8 -13.129 16.050 -1.660 1.00 0.00 C ATOM 108 CD GLN A 8 -12.208 16.059 -0.448 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.480 15.552 0.638 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.012 16.686 -0.610 1.00 0.00 N ATOM 0 H GLN A 8 -15.647 17.303 -2.836 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.738 14.650 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.044 16.386 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.494 14.724 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.718 15.387 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.166 17.049 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.776 17.110 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.351 16.732 0.166 1.00 0.00 H new ATOM 119 N ILE A 9 -17.755 14.957 -2.168 1.00 0.00 N ATOM 120 CA ILE A 9 -19.017 14.284 -2.175 1.00 0.00 C ATOM 121 C ILE A 9 -19.183 13.648 -3.512 1.00 0.00 C ATOM 122 O ILE A 9 -19.564 12.482 -3.610 1.00 0.00 O ATOM 123 CB ILE A 9 -20.193 15.180 -1.923 1.00 0.00 C ATOM 124 CG1 ILE A 9 -19.983 15.659 -0.477 1.00 0.00 C ATOM 125 CG2 ILE A 9 -21.524 14.416 -2.021 1.00 0.00 C ATOM 126 CD1 ILE A 9 -20.945 16.802 -0.155 1.00 0.00 C ATOM 0 H ILE A 9 -17.853 15.968 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 9 -19.002 13.562 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 9 -20.250 15.987 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -20.144 14.832 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.954 15.991 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -22.351 15.100 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.626 13.990 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -21.539 13.615 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -20.787 17.133 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -20.763 17.633 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -21.972 16.456 -0.271 1.00 0.00 H new ATOM 138 N ALA A 10 -18.932 14.347 -4.633 1.00 0.00 N ATOM 139 CA ALA A 10 -19.093 13.773 -5.933 1.00 0.00 C ATOM 140 C ALA A 10 -18.255 12.572 -6.205 1.00 0.00 C ATOM 141 O ALA A 10 -18.726 11.529 -6.656 1.00 0.00 O ATOM 142 CB ALA A 10 -18.871 14.834 -7.024 1.00 0.00 C ATOM 0 H ALA A 10 -18.615 15.317 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.122 13.415 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.998 14.378 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.596 15.639 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.862 15.238 -6.939 1.00 0.00 H new ATOM 148 N GLU A 11 -16.935 12.617 -5.948 1.00 0.00 N ATOM 149 CA GLU A 11 -16.027 11.580 -6.329 1.00 0.00 C ATOM 150 C GLU A 11 -16.241 10.343 -5.526 1.00 0.00 C ATOM 151 O GLU A 11 -16.247 9.223 -6.034 1.00 0.00 O ATOM 152 CB GLU A 11 -14.562 12.038 -6.229 1.00 0.00 C ATOM 153 CG GLU A 11 -14.116 13.143 -7.188 1.00 0.00 C ATOM 154 CD GLU A 11 -12.618 13.234 -7.441 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.824 13.522 -6.506 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.220 13.090 -8.628 1.00 0.00 O ATOM 0 H GLU A 11 -16.488 13.395 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.236 11.349 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.382 12.380 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.923 11.170 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.619 12.994 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.458 14.100 -6.794 1.00 0.00 H new ATOM 163 N PHE A 12 -16.569 10.459 -4.226 1.00 0.00 N ATOM 164 CA PHE A 12 -16.830 9.292 -3.443 1.00 0.00 C ATOM 165 C PHE A 12 -18.104 8.576 -3.735 1.00 0.00 C ATOM 166 O PHE A 12 -18.295 7.364 -3.654 1.00 0.00 O ATOM 167 CB PHE A 12 -16.929 9.711 -1.966 1.00 0.00 C ATOM 168 CG PHE A 12 -15.660 9.872 -1.201 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.658 8.936 -1.300 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.486 10.799 -0.201 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.538 8.977 -0.503 1.00 0.00 C ATOM 172 CE2 PHE A 12 -14.348 10.928 0.560 1.00 0.00 C ATOM 173 CZ PHE A 12 -13.323 10.036 0.347 1.00 0.00 C ATOM 0 H PHE A 12 -16.652 11.344 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.010 8.615 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.468 10.657 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.540 8.971 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.753 8.143 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.303 11.476 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.821 8.170 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.262 11.707 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.369 10.165 0.837 1.00 0.00 H new ATOM 183 N LYS A 13 -19.165 9.293 -4.145 1.00 0.00 N ATOM 184 CA LYS A 13 -20.447 8.800 -4.544 1.00 0.00 C ATOM 185 C LYS A 13 -20.371 8.172 -5.893 1.00 0.00 C ATOM 186 O LYS A 13 -21.007 7.131 -6.051 1.00 0.00 O ATOM 187 CB LYS A 13 -21.345 10.039 -4.701 1.00 0.00 C ATOM 188 CG LYS A 13 -22.781 9.636 -5.042 1.00 0.00 C ATOM 189 CD LYS A 13 -23.785 10.771 -4.830 1.00 0.00 C ATOM 190 CE LYS A 13 -23.343 12.049 -5.546 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.627 11.926 -6.993 1.00 0.00 N ATOM 0 H LYS A 13 -19.120 10.310 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.810 8.073 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.336 10.619 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.948 10.683 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.824 9.309 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.069 8.783 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.764 10.466 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.893 10.969 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.868 12.910 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.278 12.218 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.327 12.794 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.107 11.113 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.647 11.784 -7.136 1.00 0.00 H new ATOM 205 N GLU A 14 -19.598 8.745 -6.833 1.00 0.00 N ATOM 206 CA GLU A 14 -19.261 8.039 -8.030 1.00 0.00 C ATOM 207 C GLU A 14 -18.536 6.766 -7.763 1.00 0.00 C ATOM 208 O GLU A 14 -18.987 5.707 -8.196 1.00 0.00 O ATOM 209 CB GLU A 14 -18.474 8.944 -8.993 1.00 0.00 C ATOM 210 CG GLU A 14 -19.153 10.224 -9.484 1.00 0.00 C ATOM 211 CD GLU A 14 -20.118 9.958 -10.631 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.082 9.152 -10.534 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.886 10.657 -11.653 1.00 0.00 O ATOM 0 H GLU A 14 -19.210 9.686 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.199 7.760 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.543 9.226 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.206 8.350 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.692 10.687 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.393 10.935 -9.808 1.00 0.00 H new ATOM 220 N ALA A 15 -17.446 6.807 -6.975 1.00 0.00 N ATOM 221 CA ALA A 15 -16.773 5.671 -6.426 1.00 0.00 C ATOM 222 C ALA A 15 -17.570 4.619 -5.735 1.00 0.00 C ATOM 223 O ALA A 15 -17.367 3.431 -5.982 1.00 0.00 O ATOM 224 CB ALA A 15 -15.580 6.110 -5.559 1.00 0.00 C ATOM 0 H ALA A 15 -17.009 7.688 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.451 5.148 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.083 5.230 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.875 6.675 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.936 6.737 -4.741 1.00 0.00 H new ATOM 230 N PHE A 16 -18.564 4.968 -4.899 1.00 0.00 N ATOM 231 CA PHE A 16 -19.451 4.034 -4.278 1.00 0.00 C ATOM 232 C PHE A 16 -20.444 3.458 -5.227 1.00 0.00 C ATOM 233 O PHE A 16 -20.691 2.253 -5.225 1.00 0.00 O ATOM 234 CB PHE A 16 -20.152 4.798 -3.142 1.00 0.00 C ATOM 235 CG PHE A 16 -20.821 3.939 -2.124 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.046 3.376 -2.398 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.221 3.778 -0.898 1.00 0.00 C ATOM 238 CE1 PHE A 16 -22.537 2.416 -1.545 1.00 0.00 C ATOM 239 CE2 PHE A 16 -20.899 3.043 0.046 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.029 2.327 -0.271 1.00 0.00 C ATOM 0 H PHE A 16 -18.757 5.937 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 16 -18.888 3.178 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.417 5.426 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -20.896 5.465 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.611 3.682 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.255 4.212 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.313 1.740 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.534 3.028 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.510 1.705 0.469 1.00 0.00 H new ATOM 250 N SER A 17 -20.928 4.243 -6.206 1.00 0.00 N ATOM 251 CA SER A 17 -21.798 3.848 -7.270 1.00 0.00 C ATOM 252 C SER A 17 -21.168 2.982 -8.306 1.00 0.00 C ATOM 253 O SER A 17 -21.861 2.289 -9.049 1.00 0.00 O ATOM 254 CB SER A 17 -22.258 5.099 -8.037 1.00 0.00 C ATOM 255 OG SER A 17 -23.129 5.923 -7.276 1.00 0.00 O ATOM 0 H SER A 17 -20.691 5.234 -6.256 1.00 0.00 H new ATOM 0 HA SER A 17 -22.597 3.293 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.384 5.679 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.763 4.792 -8.953 1.00 0.00 H new ATOM 0 HG SER A 17 -22.600 6.520 -6.707 1.00 0.00 H new ATOM 261 N LEU A 18 -19.830 2.905 -8.418 1.00 0.00 N ATOM 262 CA LEU A 18 -19.131 2.101 -9.372 1.00 0.00 C ATOM 263 C LEU A 18 -18.891 0.769 -8.749 1.00 0.00 C ATOM 264 O LEU A 18 -18.668 -0.244 -9.409 1.00 0.00 O ATOM 265 CB LEU A 18 -17.735 2.555 -9.831 1.00 0.00 C ATOM 266 CG LEU A 18 -17.885 3.830 -10.677 1.00 0.00 C ATOM 267 CD1 LEU A 18 -16.702 4.794 -10.487 1.00 0.00 C ATOM 268 CD2 LEU A 18 -17.999 3.393 -12.147 1.00 0.00 C ATOM 0 H LEU A 18 -19.203 3.432 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 18 -19.777 2.142 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.097 2.747 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.255 1.769 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.774 4.376 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.852 5.680 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.637 5.088 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.777 4.298 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.107 4.273 -12.781 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.101 2.847 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.870 2.749 -12.269 1.00 0.00 H new ATOM 280 N PHE A 19 -19.005 0.612 -7.418 1.00 0.00 N ATOM 281 CA PHE A 19 -18.930 -0.635 -6.722 1.00 0.00 C ATOM 282 C PHE A 19 -20.281 -1.218 -6.486 1.00 0.00 C ATOM 283 O PHE A 19 -20.586 -2.388 -6.711 1.00 0.00 O ATOM 284 CB PHE A 19 -18.230 -0.492 -5.360 1.00 0.00 C ATOM 285 CG PHE A 19 -16.810 -0.041 -5.370 1.00 0.00 C ATOM 286 CD1 PHE A 19 -15.987 -0.270 -6.447 1.00 0.00 C ATOM 287 CD2 PHE A 19 -16.235 0.397 -4.201 1.00 0.00 C ATOM 288 CE1 PHE A 19 -14.679 0.153 -6.440 1.00 0.00 C ATOM 289 CE2 PHE A 19 -14.877 0.602 -4.131 1.00 0.00 C ATOM 290 CZ PHE A 19 -14.083 0.492 -5.248 1.00 0.00 C ATOM 0 H PHE A 19 -19.159 1.402 -6.792 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.349 -1.297 -7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.804 0.212 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -18.275 -1.456 -4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -16.374 -0.790 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -16.852 0.581 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.124 0.219 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.426 0.854 -3.182 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.019 0.667 -5.191 1.00 0.00 H new ATOM 300 N ASP A 20 -21.205 -0.324 -6.092 1.00 0.00 N ATOM 301 CA ASP A 20 -22.556 -0.742 -5.880 1.00 0.00 C ATOM 302 C ASP A 20 -23.293 -0.707 -7.174 1.00 0.00 C ATOM 303 O ASP A 20 -23.358 0.233 -7.965 1.00 0.00 O ATOM 304 CB ASP A 20 -23.266 0.194 -4.886 1.00 0.00 C ATOM 305 CG ASP A 20 -24.450 -0.478 -4.206 1.00 0.00 C ATOM 306 OD1 ASP A 20 -24.198 -1.583 -3.656 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.606 0.022 -4.154 1.00 0.00 O ATOM 0 H ASP A 20 -21.024 0.666 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.544 -1.753 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -22.554 0.524 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -23.609 1.085 -5.411 1.00 0.00 H new ATOM 312 N LYS A 21 -23.961 -1.818 -7.532 1.00 0.00 N ATOM 313 CA LYS A 21 -24.737 -1.971 -8.723 1.00 0.00 C ATOM 314 C LYS A 21 -26.063 -1.292 -8.677 1.00 0.00 C ATOM 315 O LYS A 21 -26.373 -0.468 -9.535 1.00 0.00 O ATOM 316 CB LYS A 21 -24.830 -3.483 -8.988 1.00 0.00 C ATOM 317 CG LYS A 21 -25.357 -3.794 -10.391 1.00 0.00 C ATOM 318 CD LYS A 21 -24.595 -3.052 -11.491 1.00 0.00 C ATOM 319 CE LYS A 21 -23.132 -3.493 -11.565 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.306 -2.582 -12.389 1.00 0.00 N ATOM 0 H LYS A 21 -23.959 -2.659 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.247 -1.465 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -23.845 -3.933 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.485 -3.940 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.289 -4.867 -10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.413 -3.528 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.078 -3.231 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.642 -1.979 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.719 -3.541 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.080 -4.500 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.324 -2.925 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.681 -2.555 -13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.331 -1.626 -11.981 1.00 0.00 H new ATOM 334 N ASP A 22 -26.863 -1.561 -7.630 1.00 0.00 N ATOM 335 CA ASP A 22 -28.126 -0.921 -7.428 1.00 0.00 C ATOM 336 C ASP A 22 -27.899 0.530 -7.177 1.00 0.00 C ATOM 337 O ASP A 22 -28.623 1.330 -7.768 1.00 0.00 O ATOM 338 CB ASP A 22 -28.939 -1.602 -6.314 1.00 0.00 C ATOM 339 CG ASP A 22 -28.111 -1.772 -5.048 1.00 0.00 C ATOM 340 OD1 ASP A 22 -27.013 -2.389 -5.073 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.646 -1.457 -3.952 1.00 0.00 O ATOM 0 H ASP A 22 -26.626 -2.240 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 22 -28.733 -1.021 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.826 -1.008 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.285 -2.577 -6.658 1.00 0.00 H new ATOM 346 N GLY A 23 -26.949 0.987 -6.342 1.00 0.00 N ATOM 347 CA GLY A 23 -26.604 2.345 -6.056 1.00 0.00 C ATOM 348 C GLY A 23 -27.485 3.021 -5.062 1.00 0.00 C ATOM 349 O GLY A 23 -28.020 4.098 -5.323 1.00 0.00 O ATOM 0 H GLY A 23 -26.365 0.338 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -25.578 2.374 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.627 2.914 -6.986 1.00 0.00 H new ATOM 353 N ASP A 24 -27.724 2.320 -3.940 1.00 0.00 N ATOM 354 CA ASP A 24 -28.585 2.788 -2.899 1.00 0.00 C ATOM 355 C ASP A 24 -27.808 3.632 -1.949 1.00 0.00 C ATOM 356 O ASP A 24 -28.313 4.607 -1.394 1.00 0.00 O ATOM 357 CB ASP A 24 -29.339 1.627 -2.228 1.00 0.00 C ATOM 358 CG ASP A 24 -28.491 0.765 -1.304 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.460 0.245 -1.807 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.810 0.656 -0.090 1.00 0.00 O ATOM 0 H ASP A 24 -27.310 1.407 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 24 -29.364 3.421 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.173 2.036 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -29.765 0.992 -3.005 1.00 0.00 H new ATOM 365 N GLY A 25 -26.602 3.183 -1.559 1.00 0.00 N ATOM 366 CA GLY A 25 -25.940 3.698 -0.401 1.00 0.00 C ATOM 367 C GLY A 25 -25.362 2.675 0.515 1.00 0.00 C ATOM 368 O GLY A 25 -24.452 2.942 1.299 1.00 0.00 O ATOM 0 H GLY A 25 -26.081 2.457 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -25.140 4.362 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.649 4.305 0.162 1.00 0.00 H new ATOM 372 N THR A 26 -25.969 1.475 0.505 1.00 0.00 N ATOM 373 CA THR A 26 -25.456 0.402 1.298 1.00 0.00 C ATOM 374 C THR A 26 -24.803 -0.627 0.440 1.00 0.00 C ATOM 375 O THR A 26 -25.311 -0.877 -0.652 1.00 0.00 O ATOM 376 CB THR A 26 -26.397 -0.298 2.234 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.390 -1.106 1.619 1.00 0.00 O ATOM 378 CG2 THR A 26 -27.064 0.678 3.217 1.00 0.00 C ATOM 0 H THR A 26 -26.800 1.250 -0.042 1.00 0.00 H new ATOM 0 HA THR A 26 -24.753 0.923 1.948 1.00 0.00 H new ATOM 0 HB THR A 26 -25.744 -0.985 2.773 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.936 -0.554 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.737 0.128 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.298 1.174 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.631 1.424 2.660 1.00 0.00 H new ATOM 386 N ILE A 27 -23.730 -1.306 0.882 1.00 0.00 N ATOM 387 CA ILE A 27 -23.078 -2.426 0.277 1.00 0.00 C ATOM 388 C ILE A 27 -23.140 -3.496 1.313 1.00 0.00 C ATOM 389 O ILE A 27 -22.612 -3.301 2.406 1.00 0.00 O ATOM 390 CB ILE A 27 -21.705 -2.397 -0.326 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.657 -1.059 -1.081 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.509 -3.560 -1.314 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.319 -0.716 -1.733 1.00 0.00 C ATOM 0 H ILE A 27 -23.273 -1.041 1.755 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.625 -2.537 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.924 -2.495 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.425 -1.071 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.917 -0.261 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.505 -3.514 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.640 -4.507 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.243 -3.484 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.396 0.247 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.544 -0.664 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.060 -1.486 -2.459 1.00 0.00 H new ATOM 405 N THR A 28 -23.903 -4.569 1.035 1.00 0.00 N ATOM 406 CA THR A 28 -24.040 -5.710 1.886 1.00 0.00 C ATOM 407 C THR A 28 -22.985 -6.743 1.684 1.00 0.00 C ATOM 408 O THR A 28 -22.356 -6.753 0.627 1.00 0.00 O ATOM 409 CB THR A 28 -25.403 -6.331 1.803 1.00 0.00 C ATOM 410 OG1 THR A 28 -25.640 -6.885 0.518 1.00 0.00 O ATOM 411 CG2 THR A 28 -26.497 -5.329 2.210 1.00 0.00 C ATOM 0 H THR A 28 -24.449 -4.644 0.177 1.00 0.00 H new ATOM 0 HA THR A 28 -23.906 -5.314 2.893 1.00 0.00 H new ATOM 0 HB THR A 28 -25.440 -7.154 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.643 -6.169 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 28 -27.474 -5.808 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 28 -26.327 -5.001 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 28 -26.467 -4.467 1.544 1.00 0.00 H new ATOM 419 N THR A 29 -22.906 -7.714 2.612 1.00 0.00 N ATOM 420 CA THR A 29 -22.158 -8.932 2.632 1.00 0.00 C ATOM 421 C THR A 29 -22.409 -9.755 1.415 1.00 0.00 C ATOM 422 O THR A 29 -21.510 -10.291 0.770 1.00 0.00 O ATOM 423 CB THR A 29 -22.217 -9.752 3.886 1.00 0.00 C ATOM 424 OG1 THR A 29 -23.591 -9.920 4.201 1.00 0.00 O ATOM 425 CG2 THR A 29 -21.536 -8.974 5.025 1.00 0.00 C ATOM 0 H THR A 29 -23.449 -7.625 3.471 1.00 0.00 H new ATOM 0 HA THR A 29 -21.125 -8.583 2.624 1.00 0.00 H new ATOM 0 HB THR A 29 -21.718 -10.712 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -23.676 -10.455 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 29 -21.574 -9.563 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 29 -20.496 -8.779 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 29 -22.054 -8.028 5.180 1.00 0.00 H new ATOM 433 N LYS A 30 -23.684 -9.842 0.997 1.00 0.00 N ATOM 434 CA LYS A 30 -24.162 -10.510 -0.174 1.00 0.00 C ATOM 435 C LYS A 30 -23.702 -9.830 -1.417 1.00 0.00 C ATOM 436 O LYS A 30 -23.495 -10.440 -2.464 1.00 0.00 O ATOM 437 CB LYS A 30 -25.674 -10.791 -0.164 1.00 0.00 C ATOM 438 CG LYS A 30 -26.183 -11.210 1.217 1.00 0.00 C ATOM 439 CD LYS A 30 -27.665 -11.545 1.390 1.00 0.00 C ATOM 440 CE LYS A 30 -28.101 -12.437 2.554 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.936 -11.786 3.873 1.00 0.00 N ATOM 0 H LYS A 30 -24.443 -9.408 1.523 1.00 0.00 H new ATOM 0 HA LYS A 30 -23.707 -11.500 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -26.208 -9.898 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -25.899 -11.577 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -25.610 -12.083 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.944 -10.407 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.205 -10.603 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.003 -12.020 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.146 -12.715 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.521 -13.360 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.247 -12.436 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.935 -11.544 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.510 -10.919 3.907 1.00 0.00 H new ATOM 455 N GLU A 31 -23.480 -8.503 -1.431 1.00 0.00 N ATOM 456 CA GLU A 31 -23.057 -7.775 -2.587 1.00 0.00 C ATOM 457 C GLU A 31 -21.582 -7.625 -2.732 1.00 0.00 C ATOM 458 O GLU A 31 -20.999 -7.441 -3.799 1.00 0.00 O ATOM 459 CB GLU A 31 -23.529 -6.312 -2.606 1.00 0.00 C ATOM 460 CG GLU A 31 -25.039 -6.250 -2.849 1.00 0.00 C ATOM 461 CD GLU A 31 -25.493 -4.878 -2.370 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.487 -4.619 -1.137 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.887 -3.970 -3.149 1.00 0.00 O ATOM 0 H GLU A 31 -23.600 -7.915 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.494 -8.388 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -23.285 -5.831 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -23.004 -5.762 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.269 -6.389 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -25.553 -7.042 -2.304 1.00 0.00 H new ATOM 470 N LEU A 32 -20.877 -7.730 -1.591 1.00 0.00 N ATOM 471 CA LEU A 32 -19.461 -7.567 -1.475 1.00 0.00 C ATOM 472 C LEU A 32 -18.633 -8.607 -2.147 1.00 0.00 C ATOM 473 O LEU A 32 -17.547 -8.327 -2.652 1.00 0.00 O ATOM 474 CB LEU A 32 -18.934 -7.482 -0.033 1.00 0.00 C ATOM 475 CG LEU A 32 -19.008 -6.245 0.879 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.245 -6.495 2.190 1.00 0.00 C ATOM 477 CD2 LEU A 32 -18.320 -5.005 0.284 1.00 0.00 C ATOM 0 H LEU A 32 -21.322 -7.941 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.345 -6.612 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -19.435 -8.282 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.878 -7.746 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 32 -20.076 -6.072 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.308 -5.609 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.686 -7.345 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.199 -6.708 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.410 -4.170 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.266 -5.221 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.796 -4.743 -0.661 1.00 0.00 H new ATOM 489 N GLY A 33 -19.167 -9.841 -2.186 1.00 0.00 N ATOM 490 CA GLY A 33 -18.558 -10.831 -3.019 1.00 0.00 C ATOM 491 C GLY A 33 -18.738 -10.556 -4.473 1.00 0.00 C ATOM 492 O GLY A 33 -17.881 -10.871 -5.296 1.00 0.00 O ATOM 0 H GLY A 33 -19.988 -10.146 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.493 -10.883 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.982 -11.807 -2.784 1.00 0.00 H new ATOM 496 N THR A 34 -19.826 -9.922 -4.948 1.00 0.00 N ATOM 497 CA THR A 34 -20.049 -9.674 -6.338 1.00 0.00 C ATOM 498 C THR A 34 -19.147 -8.611 -6.865 1.00 0.00 C ATOM 499 O THR A 34 -18.660 -8.788 -7.980 1.00 0.00 O ATOM 500 CB THR A 34 -21.431 -9.159 -6.609 1.00 0.00 C ATOM 501 OG1 THR A 34 -22.310 -10.150 -6.097 1.00 0.00 O ATOM 502 CG2 THR A 34 -21.841 -9.248 -8.089 1.00 0.00 C ATOM 0 H THR A 34 -20.572 -9.572 -4.347 1.00 0.00 H new ATOM 0 HA THR A 34 -19.874 -10.638 -6.816 1.00 0.00 H new ATOM 0 HB THR A 34 -21.464 -8.142 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.238 -9.871 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 34 -22.852 -8.858 -8.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 -21.150 -8.661 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.812 -10.288 -8.413 1.00 0.00 H new ATOM 510 N VAL A 35 -18.872 -7.595 -6.028 1.00 0.00 N ATOM 511 CA VAL A 35 -17.999 -6.521 -6.390 1.00 0.00 C ATOM 512 C VAL A 35 -16.602 -6.983 -6.623 1.00 0.00 C ATOM 513 O VAL A 35 -16.021 -6.720 -7.675 1.00 0.00 O ATOM 514 CB VAL A 35 -17.935 -5.448 -5.344 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.140 -4.249 -5.888 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.354 -4.965 -5.001 1.00 0.00 C ATOM 0 H VAL A 35 -19.260 -7.517 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 35 -18.427 -6.121 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.453 -5.854 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.093 -3.469 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.130 -4.568 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.633 -3.859 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.299 -4.186 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.829 -4.565 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.941 -5.801 -4.622 1.00 0.00 H new ATOM 526 N MET A 36 -16.040 -7.800 -5.714 1.00 0.00 N ATOM 527 CA MET A 36 -14.857 -8.589 -5.867 1.00 0.00 C ATOM 528 C MET A 36 -14.766 -9.342 -7.150 1.00 0.00 C ATOM 529 O MET A 36 -13.843 -9.216 -7.953 1.00 0.00 O ATOM 530 CB MET A 36 -14.779 -9.628 -4.736 1.00 0.00 C ATOM 531 CG MET A 36 -14.168 -9.042 -3.462 1.00 0.00 C ATOM 532 SD MET A 36 -14.598 -9.856 -1.894 1.00 0.00 S ATOM 533 CE MET A 36 -14.792 -8.386 -0.846 1.00 0.00 C ATOM 0 H MET A 36 -16.453 -7.917 -4.789 1.00 0.00 H new ATOM 0 HA MET A 36 -14.039 -7.869 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.779 -10.004 -4.519 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.183 -10.479 -5.066 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.083 -9.059 -3.567 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.465 -7.995 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.229 -8.676 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.817 -7.929 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.447 -7.670 -1.342 1.00 0.00 H new ATOM 543 N ARG A 37 -15.798 -10.168 -7.398 1.00 0.00 N ATOM 544 CA ARG A 37 -15.892 -11.003 -8.555 1.00 0.00 C ATOM 545 C ARG A 37 -15.911 -10.242 -9.835 1.00 0.00 C ATOM 546 O ARG A 37 -15.336 -10.709 -10.818 1.00 0.00 O ATOM 547 CB ARG A 37 -17.038 -12.024 -8.460 1.00 0.00 C ATOM 548 CG ARG A 37 -16.819 -13.091 -7.385 1.00 0.00 C ATOM 549 CD ARG A 37 -18.034 -14.016 -7.310 1.00 0.00 C ATOM 550 NE ARG A 37 -17.766 -14.863 -6.113 1.00 0.00 N ATOM 551 CZ ARG A 37 -18.463 -14.904 -4.940 1.00 0.00 C ATOM 552 NH1 ARG A 37 -19.723 -14.394 -4.818 1.00 0.00 N ATOM 553 NH2 ARG A 37 -18.030 -15.627 -3.866 1.00 0.00 N ATOM 0 H ARG A 37 -16.596 -10.258 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.967 -11.579 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.968 -11.495 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.159 -12.513 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.924 -13.670 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.653 -12.616 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -18.960 -13.451 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -18.133 -14.619 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.963 -15.489 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -20.178 -13.962 -5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -20.209 -14.445 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.161 -16.158 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.575 -15.636 -3.004 1.00 0.00 H new ATOM 567 N SER A 38 -16.570 -9.071 -9.891 1.00 0.00 N ATOM 568 CA SER A 38 -16.633 -8.198 -11.022 1.00 0.00 C ATOM 569 C SER A 38 -15.370 -7.418 -11.147 1.00 0.00 C ATOM 570 O SER A 38 -15.106 -6.780 -12.165 1.00 0.00 O ATOM 571 CB SER A 38 -17.750 -7.142 -10.965 1.00 0.00 C ATOM 572 OG SER A 38 -19.008 -7.799 -10.915 1.00 0.00 O ATOM 0 H SER A 38 -17.093 -8.711 -9.093 1.00 0.00 H new ATOM 0 HA SER A 38 -16.819 -8.872 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.622 -6.507 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.699 -6.493 -11.839 1.00 0.00 H new ATOM 0 HG SER A 38 -19.134 -8.198 -10.029 1.00 0.00 H new ATOM 578 N LEU A 39 -14.518 -7.340 -10.109 1.00 0.00 N ATOM 579 CA LEU A 39 -13.135 -6.998 -10.229 1.00 0.00 C ATOM 580 C LEU A 39 -12.167 -8.028 -10.702 1.00 0.00 C ATOM 581 O LEU A 39 -10.983 -7.770 -10.917 1.00 0.00 O ATOM 582 CB LEU A 39 -12.547 -6.496 -8.900 1.00 0.00 C ATOM 583 CG LEU A 39 -13.162 -5.249 -8.243 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.402 -4.851 -6.966 1.00 0.00 C ATOM 585 CD2 LEU A 39 -13.004 -4.079 -9.229 1.00 0.00 C ATOM 0 H LEU A 39 -14.805 -7.523 -9.147 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.215 -6.246 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.610 -7.313 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.488 -6.295 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.201 -5.466 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.864 -3.966 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.439 -5.672 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.363 -4.633 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.431 -3.176 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.946 -3.917 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.523 -4.314 -10.158 1.00 0.00 H new ATOM 597 N GLY A 40 -12.665 -9.253 -10.945 1.00 0.00 N ATOM 598 CA GLY A 40 -11.859 -10.348 -11.389 1.00 0.00 C ATOM 599 C GLY A 40 -11.137 -11.089 -10.317 1.00 0.00 C ATOM 600 O GLY A 40 -10.043 -11.624 -10.488 1.00 0.00 O ATOM 0 H GLY A 40 -13.651 -9.489 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.496 -11.051 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.126 -9.971 -12.103 1.00 0.00 H new ATOM 604 N GLN A 41 -11.722 -11.134 -9.106 1.00 0.00 N ATOM 605 CA GLN A 41 -11.227 -11.949 -8.041 1.00 0.00 C ATOM 606 C GLN A 41 -11.970 -13.217 -7.796 1.00 0.00 C ATOM 607 O GLN A 41 -13.095 -13.358 -8.272 1.00 0.00 O ATOM 608 CB GLN A 41 -11.193 -11.197 -6.700 1.00 0.00 C ATOM 609 CG GLN A 41 -10.278 -9.973 -6.771 1.00 0.00 C ATOM 610 CD GLN A 41 -10.373 -9.222 -5.450 1.00 0.00 C ATOM 611 OE1 GLN A 41 -10.748 -9.797 -4.430 1.00 0.00 O ATOM 612 NE2 GLN A 41 -10.149 -7.881 -5.438 1.00 0.00 N ATOM 0 H GLN A 41 -12.553 -10.595 -8.863 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.228 -12.202 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.202 -10.884 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.846 -11.867 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.249 -10.280 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.574 -9.326 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.838 -7.408 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.292 -7.348 -4.580 1.00 0.00 H new ATOM 621 N ASN A 42 -11.362 -14.243 -7.172 1.00 0.00 N ATOM 622 CA ASN A 42 -12.072 -15.440 -6.845 1.00 0.00 C ATOM 623 C ASN A 42 -11.946 -15.708 -5.384 1.00 0.00 C ATOM 624 O ASN A 42 -11.369 -16.746 -5.065 1.00 0.00 O ATOM 625 CB ASN A 42 -11.532 -16.655 -7.618 1.00 0.00 C ATOM 626 CG ASN A 42 -11.490 -16.470 -9.128 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.499 -16.629 -9.814 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.325 -16.021 -9.667 1.00 0.00 N ATOM 0 H ASN A 42 -10.380 -14.243 -6.895 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.115 -15.292 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.526 -16.878 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.151 -17.522 -7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.273 -15.807 -10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.503 -15.898 -9.075 1.00 0.00 H new ATOM 635 N PRO A 43 -12.444 -14.927 -4.472 1.00 0.00 N ATOM 636 CA PRO A 43 -12.315 -15.144 -3.060 1.00 0.00 C ATOM 637 C PRO A 43 -13.122 -16.313 -2.611 1.00 0.00 C ATOM 638 O PRO A 43 -14.078 -16.683 -3.292 1.00 0.00 O ATOM 639 CB PRO A 43 -12.968 -13.938 -2.388 1.00 0.00 C ATOM 640 CG PRO A 43 -13.916 -13.345 -3.443 1.00 0.00 C ATOM 641 CD PRO A 43 -13.069 -13.632 -4.693 1.00 0.00 C ATOM 0 HA PRO A 43 -11.263 -15.299 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.514 -14.235 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.220 -13.208 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.887 -13.840 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.104 -12.282 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.690 -13.647 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.317 -12.857 -4.840 1.00 0.00 H new ATOM 649 N THR A 44 -12.761 -16.907 -1.460 1.00 0.00 N ATOM 650 CA THR A 44 -13.466 -17.919 -0.737 1.00 0.00 C ATOM 651 C THR A 44 -14.330 -17.336 0.328 1.00 0.00 C ATOM 652 O THR A 44 -14.295 -16.124 0.536 1.00 0.00 O ATOM 653 CB THR A 44 -12.611 -18.955 -0.069 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.649 -18.389 0.809 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.837 -19.773 -1.116 1.00 0.00 C ATOM 0 H THR A 44 -11.891 -16.652 -0.992 1.00 0.00 H new ATOM 0 HA THR A 44 -14.045 -18.408 -1.520 1.00 0.00 H new ATOM 0 HB THR A 44 -13.297 -19.581 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.054 -17.797 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.222 -20.519 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.542 -20.272 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.198 -19.108 -1.697 1.00 0.00 H new ATOM 663 N GLU A 45 -15.160 -18.079 1.082 1.00 0.00 N ATOM 664 CA GLU A 45 -16.057 -17.597 2.085 1.00 0.00 C ATOM 665 C GLU A 45 -15.394 -17.163 3.347 1.00 0.00 C ATOM 666 O GLU A 45 -15.957 -16.317 4.040 1.00 0.00 O ATOM 667 CB GLU A 45 -17.133 -18.673 2.309 1.00 0.00 C ATOM 668 CG GLU A 45 -18.371 -18.223 3.089 1.00 0.00 C ATOM 669 CD GLU A 45 -19.493 -19.251 3.112 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.242 -20.406 3.547 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.570 -18.990 2.512 1.00 0.00 O ATOM 0 H GLU A 45 -15.206 -19.093 0.981 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.517 -16.677 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.455 -19.046 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.678 -19.511 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.079 -17.995 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.748 -17.298 2.652 1.00 0.00 H new ATOM 678 N ALA A 46 -14.223 -17.708 3.723 1.00 0.00 N ATOM 679 CA ALA A 46 -13.492 -17.282 4.876 1.00 0.00 C ATOM 680 C ALA A 46 -12.666 -16.075 4.593 1.00 0.00 C ATOM 681 O ALA A 46 -12.354 -15.352 5.538 1.00 0.00 O ATOM 682 CB ALA A 46 -12.657 -18.452 5.423 1.00 0.00 C ATOM 0 H ALA A 46 -13.772 -18.466 3.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.200 -16.982 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.102 -18.123 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.318 -19.274 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.958 -18.790 4.657 1.00 0.00 H new ATOM 688 N GLU A 47 -12.185 -15.910 3.348 1.00 0.00 N ATOM 689 CA GLU A 47 -11.475 -14.775 2.845 1.00 0.00 C ATOM 690 C GLU A 47 -12.375 -13.605 2.642 1.00 0.00 C ATOM 691 O GLU A 47 -12.182 -12.475 3.086 1.00 0.00 O ATOM 692 CB GLU A 47 -10.933 -15.002 1.424 1.00 0.00 C ATOM 693 CG GLU A 47 -9.655 -15.842 1.359 1.00 0.00 C ATOM 694 CD GLU A 47 -9.392 -15.979 -0.133 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.076 -16.821 -0.774 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.384 -15.419 -0.640 1.00 0.00 O ATOM 0 H GLU A 47 -12.303 -16.631 2.636 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.693 -14.612 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.704 -15.490 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.740 -14.033 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.826 -15.351 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.790 -16.814 1.833 1.00 0.00 H new ATOM 703 N LEU A 48 -13.610 -13.815 2.150 1.00 0.00 N ATOM 704 CA LEU A 48 -14.685 -12.878 2.256 1.00 0.00 C ATOM 705 C LEU A 48 -14.904 -12.362 3.636 1.00 0.00 C ATOM 706 O LEU A 48 -15.075 -11.162 3.844 1.00 0.00 O ATOM 707 CB LEU A 48 -15.982 -13.537 1.756 1.00 0.00 C ATOM 708 CG LEU A 48 -16.193 -13.450 0.235 1.00 0.00 C ATOM 709 CD1 LEU A 48 -17.228 -14.508 -0.184 1.00 0.00 C ATOM 710 CD2 LEU A 48 -16.662 -12.045 -0.179 1.00 0.00 C ATOM 0 H LEU A 48 -13.869 -14.671 1.659 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.408 -12.021 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.979 -14.586 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.830 -13.068 2.256 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.246 -13.641 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.386 -14.456 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.862 -15.500 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.170 -14.319 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.803 -12.012 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.605 -11.815 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.911 -11.310 0.111 1.00 0.00 H new ATOM 722 N GLN A 49 -15.008 -13.204 4.679 1.00 0.00 N ATOM 723 CA GLN A 49 -15.355 -12.699 5.971 1.00 0.00 C ATOM 724 C GLN A 49 -14.229 -11.962 6.611 1.00 0.00 C ATOM 725 O GLN A 49 -14.384 -11.044 7.415 1.00 0.00 O ATOM 726 CB GLN A 49 -15.616 -13.985 6.774 1.00 0.00 C ATOM 727 CG GLN A 49 -16.184 -13.823 8.186 1.00 0.00 C ATOM 728 CD GLN A 49 -15.900 -15.135 8.903 1.00 0.00 C ATOM 729 OE1 GLN A 49 -16.750 -15.984 9.166 1.00 0.00 O ATOM 730 NE2 GLN A 49 -14.638 -15.209 9.405 1.00 0.00 N ATOM 0 H GLN A 49 -14.856 -14.212 4.632 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.190 -12.000 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.304 -14.607 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.677 -14.534 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.714 -12.986 8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.254 -13.618 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.953 -14.491 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.377 -15.983 10.016 1.00 0.00 H new ATOM 739 N ASP A 50 -12.986 -12.281 6.206 1.00 0.00 N ATOM 740 CA ASP A 50 -11.801 -11.633 6.677 1.00 0.00 C ATOM 741 C ASP A 50 -11.760 -10.207 6.248 1.00 0.00 C ATOM 742 O ASP A 50 -11.618 -9.289 7.054 1.00 0.00 O ATOM 743 CB ASP A 50 -10.613 -12.464 6.162 1.00 0.00 C ATOM 744 CG ASP A 50 -9.381 -12.141 6.994 1.00 0.00 C ATOM 745 OD1 ASP A 50 -9.528 -11.799 8.198 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.276 -12.120 6.389 1.00 0.00 O ATOM 0 H ASP A 50 -12.800 -13.017 5.525 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.768 -11.592 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.842 -13.528 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.426 -12.242 5.111 1.00 0.00 H new ATOM 751 N MET A 51 -12.143 -10.050 4.969 1.00 0.00 N ATOM 752 CA MET A 51 -12.327 -8.880 4.167 1.00 0.00 C ATOM 753 C MET A 51 -13.460 -8.018 4.608 1.00 0.00 C ATOM 754 O MET A 51 -13.328 -6.806 4.776 1.00 0.00 O ATOM 755 CB MET A 51 -12.368 -9.196 2.663 1.00 0.00 C ATOM 756 CG MET A 51 -10.989 -9.530 2.091 1.00 0.00 C ATOM 757 SD MET A 51 -11.188 -10.429 0.523 1.00 0.00 S ATOM 758 CE MET A 51 -9.664 -9.968 -0.350 1.00 0.00 C ATOM 0 H MET A 51 -12.356 -10.880 4.416 1.00 0.00 H new ATOM 0 HA MET A 51 -11.434 -8.276 4.332 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.041 -10.036 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.781 -8.341 2.128 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.419 -8.615 1.929 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.425 -10.135 2.801 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.647 -10.446 -1.329 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.629 -8.886 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.800 -10.295 0.229 1.00 0.00 H new ATOM 768 N ILE A 52 -14.616 -8.631 4.921 1.00 0.00 N ATOM 769 CA ILE A 52 -15.692 -8.025 5.642 1.00 0.00 C ATOM 770 C ILE A 52 -15.205 -7.478 6.939 1.00 0.00 C ATOM 771 O ILE A 52 -15.536 -6.331 7.238 1.00 0.00 O ATOM 772 CB ILE A 52 -16.794 -9.007 5.912 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.576 -9.207 4.603 1.00 0.00 C ATOM 774 CG2 ILE A 52 -17.698 -8.557 7.072 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.142 -10.583 4.257 1.00 0.00 C ATOM 0 H ILE A 52 -14.809 -9.597 4.658 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.083 -7.218 5.022 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.372 -9.959 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.410 -8.506 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.920 -8.910 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.481 -9.298 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.103 -8.457 7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.152 -7.596 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.661 -10.533 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.328 -11.305 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.842 -10.894 5.033 1.00 0.00 H new ATOM 787 N ASN A 53 -14.381 -8.173 7.743 1.00 0.00 N ATOM 788 CA ASN A 53 -13.970 -7.685 9.023 1.00 0.00 C ATOM 789 C ASN A 53 -13.014 -6.556 8.843 1.00 0.00 C ATOM 790 O ASN A 53 -12.849 -5.737 9.746 1.00 0.00 O ATOM 791 CB ASN A 53 -13.425 -8.871 9.836 1.00 0.00 C ATOM 792 CG ASN A 53 -13.377 -8.589 11.331 1.00 0.00 C ATOM 793 OD1 ASN A 53 -14.442 -8.329 11.889 1.00 0.00 O ATOM 794 ND2 ASN A 53 -12.220 -8.670 12.041 1.00 0.00 N ATOM 0 H ASN A 53 -13.995 -9.086 7.502 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.800 -7.269 9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.049 -9.746 9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.423 -9.116 9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.228 -8.514 13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.344 -8.886 11.566 1.00 0.00 H new ATOM 801 N GLU A 54 -12.324 -6.519 7.688 1.00 0.00 N ATOM 802 CA GLU A 54 -11.414 -5.458 7.386 1.00 0.00 C ATOM 803 C GLU A 54 -12.017 -4.129 7.083 1.00 0.00 C ATOM 804 O GLU A 54 -11.358 -3.159 7.457 1.00 0.00 O ATOM 805 CB GLU A 54 -10.430 -5.727 6.236 1.00 0.00 C ATOM 806 CG GLU A 54 -9.311 -6.627 6.763 1.00 0.00 C ATOM 807 CD GLU A 54 -8.245 -6.024 7.668 1.00 0.00 C ATOM 808 OE1 GLU A 54 -7.204 -5.508 7.180 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.424 -6.128 8.911 1.00 0.00 O ATOM 0 H GLU A 54 -12.398 -7.229 6.959 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.895 -5.425 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.942 -6.207 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.019 -4.790 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.778 -7.449 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.804 -7.061 5.901 1.00 0.00 H new ATOM 816 N VAL A 55 -13.172 -4.129 6.394 1.00 0.00 N ATOM 817 CA VAL A 55 -13.925 -2.977 6.007 1.00 0.00 C ATOM 818 C VAL A 55 -15.049 -2.672 6.936 1.00 0.00 C ATOM 819 O VAL A 55 -15.702 -1.633 6.847 1.00 0.00 O ATOM 820 CB VAL A 55 -14.459 -3.021 4.606 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.309 -3.317 3.629 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.600 -4.027 4.379 1.00 0.00 C ATOM 0 H VAL A 55 -13.610 -4.997 6.086 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.185 -2.178 6.057 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.894 -2.038 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.696 -3.349 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.555 -2.533 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.859 -4.279 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.919 -3.986 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.250 -5.033 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.440 -3.776 5.026 1.00 0.00 H new ATOM 832 N ASP A 56 -15.320 -3.595 7.876 1.00 0.00 N ATOM 833 CA ASP A 56 -16.321 -3.401 8.879 1.00 0.00 C ATOM 834 C ASP A 56 -15.670 -3.259 10.211 1.00 0.00 C ATOM 835 O ASP A 56 -15.168 -4.216 10.799 1.00 0.00 O ATOM 836 CB ASP A 56 -17.500 -4.388 8.907 1.00 0.00 C ATOM 837 CG ASP A 56 -18.747 -3.646 9.365 1.00 0.00 C ATOM 838 OD1 ASP A 56 -18.745 -2.864 10.353 1.00 0.00 O ATOM 839 OD2 ASP A 56 -19.779 -3.746 8.648 1.00 0.00 O ATOM 0 H ASP A 56 -14.836 -4.491 7.941 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.823 -2.477 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.658 -4.817 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.284 -5.216 9.582 1.00 0.00 H new ATOM 844 N ALA A 57 -15.615 -1.989 10.649 1.00 0.00 N ATOM 845 CA ALA A 57 -15.228 -1.487 11.931 1.00 0.00 C ATOM 846 C ALA A 57 -16.257 -1.672 12.993 1.00 0.00 C ATOM 847 O ALA A 57 -15.799 -1.843 14.121 1.00 0.00 O ATOM 848 CB ALA A 57 -14.710 -0.059 11.693 1.00 0.00 C ATOM 0 H ALA A 57 -15.874 -1.224 10.026 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.421 -2.074 12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.398 0.378 12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.860 -0.089 11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.504 0.548 11.257 1.00 0.00 H new ATOM 854 N ASP A 58 -17.565 -1.578 12.695 1.00 0.00 N ATOM 855 CA ASP A 58 -18.527 -1.726 13.743 1.00 0.00 C ATOM 856 C ASP A 58 -18.894 -3.144 14.015 1.00 0.00 C ATOM 857 O ASP A 58 -18.922 -3.586 15.162 1.00 0.00 O ATOM 858 CB ASP A 58 -19.745 -0.799 13.595 1.00 0.00 C ATOM 859 CG ASP A 58 -20.470 -0.932 12.263 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.362 -1.802 12.074 1.00 0.00 O ATOM 861 OD2 ASP A 58 -20.291 -0.118 11.318 1.00 0.00 O ATOM 0 H ASP A 58 -17.947 -1.406 11.765 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.017 -1.384 14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.448 -1.009 14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.419 0.234 13.717 1.00 0.00 H new ATOM 866 N GLY A 59 -19.247 -3.869 12.938 1.00 0.00 N ATOM 867 CA GLY A 59 -19.478 -5.276 13.043 1.00 0.00 C ATOM 868 C GLY A 59 -20.242 -6.003 11.991 1.00 0.00 C ATOM 869 O GLY A 59 -19.879 -7.117 11.616 1.00 0.00 O ATOM 0 H GLY A 59 -19.372 -3.484 12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.502 -5.756 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -19.993 -5.447 13.989 1.00 0.00 H new ATOM 873 N ASN A 60 -21.386 -5.399 11.623 1.00 0.00 N ATOM 874 CA ASN A 60 -22.418 -6.076 10.902 1.00 0.00 C ATOM 875 C ASN A 60 -22.023 -6.762 9.639 1.00 0.00 C ATOM 876 O ASN A 60 -22.492 -7.863 9.354 1.00 0.00 O ATOM 877 CB ASN A 60 -23.746 -5.301 10.941 1.00 0.00 C ATOM 878 CG ASN A 60 -23.491 -3.866 10.502 1.00 0.00 C ATOM 879 OD1 ASN A 60 -22.512 -3.460 9.878 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.527 -3.024 10.762 1.00 0.00 N ATOM 0 H ASN A 60 -21.598 -4.423 11.830 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.635 -6.986 11.461 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -24.477 -5.772 10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.164 -5.319 11.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.492 -2.057 10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.339 -3.360 11.279 1.00 0.00 H new ATOM 887 N GLY A 61 -21.243 -6.156 8.727 1.00 0.00 N ATOM 888 CA GLY A 61 -20.897 -6.570 7.402 1.00 0.00 C ATOM 889 C GLY A 61 -21.427 -5.633 6.373 1.00 0.00 C ATOM 890 O GLY A 61 -21.052 -5.722 5.204 1.00 0.00 O ATOM 0 H GLY A 61 -20.801 -5.264 8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.812 -6.632 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.290 -7.570 7.220 1.00 0.00 H new ATOM 894 N THR A 62 -22.335 -4.708 6.733 1.00 0.00 N ATOM 895 CA THR A 62 -22.972 -3.773 5.859 1.00 0.00 C ATOM 896 C THR A 62 -22.268 -2.462 5.922 1.00 0.00 C ATOM 897 O THR A 62 -22.003 -1.926 6.997 1.00 0.00 O ATOM 898 CB THR A 62 -24.430 -3.481 6.057 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.108 -4.716 6.233 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.016 -2.906 4.757 1.00 0.00 C ATOM 0 H THR A 62 -22.644 -4.608 7.700 1.00 0.00 H new ATOM 0 HA THR A 62 -22.906 -4.287 4.900 1.00 0.00 H new ATOM 0 HB THR A 62 -24.542 -2.799 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.064 -4.548 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.076 -2.693 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.492 -1.986 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.896 -3.631 3.952 1.00 0.00 H new ATOM 908 N ILE A 63 -21.795 -1.948 4.773 1.00 0.00 N ATOM 909 CA ILE A 63 -20.986 -0.775 4.645 1.00 0.00 C ATOM 910 C ILE A 63 -21.850 0.264 4.018 1.00 0.00 C ATOM 911 O ILE A 63 -22.529 -0.002 3.028 1.00 0.00 O ATOM 912 CB ILE A 63 -19.654 -0.838 3.959 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.661 -1.447 2.547 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.661 -1.513 4.921 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.305 -1.392 1.845 1.00 0.00 C ATOM 0 H ILE A 63 -21.992 -2.382 3.871 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.655 -0.563 5.662 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.335 0.183 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.985 -2.486 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.396 -0.921 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.681 -1.573 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.587 -0.927 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -19.011 -2.517 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.389 -1.840 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.988 -0.354 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.569 -1.943 2.431 1.00 0.00 H new ATOM 927 N ASP A 64 -22.009 1.454 4.625 1.00 0.00 N ATOM 928 CA ASP A 64 -22.751 2.595 4.186 1.00 0.00 C ATOM 929 C ASP A 64 -21.865 3.686 3.691 1.00 0.00 C ATOM 930 O ASP A 64 -20.647 3.530 3.625 1.00 0.00 O ATOM 931 CB ASP A 64 -24.012 2.897 5.013 1.00 0.00 C ATOM 932 CG ASP A 64 -23.511 3.402 6.358 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.515 4.165 6.478 1.00 0.00 O ATOM 934 OD2 ASP A 64 -24.244 3.004 7.303 1.00 0.00 O ATOM 0 H ASP A 64 -21.565 1.633 5.526 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.280 2.359 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.633 3.645 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.624 2.003 5.134 1.00 0.00 H new ATOM 939 N PHE A 65 -22.363 4.890 3.357 1.00 0.00 N ATOM 940 CA PHE A 65 -21.648 5.906 2.648 1.00 0.00 C ATOM 941 C PHE A 65 -20.729 6.581 3.607 1.00 0.00 C ATOM 942 O PHE A 65 -19.543 6.439 3.314 1.00 0.00 O ATOM 943 CB PHE A 65 -22.607 6.869 1.929 1.00 0.00 C ATOM 944 CG PHE A 65 -21.834 7.708 0.971 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.311 7.185 -0.188 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.739 9.060 1.201 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.573 7.942 -1.068 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.095 9.832 0.262 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.509 9.300 -0.863 1.00 0.00 C ATOM 0 H PHE A 65 -23.315 5.169 3.594 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.047 5.468 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.376 6.307 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.117 7.502 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.486 6.144 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.158 9.503 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.057 7.482 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.048 10.900 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.007 9.939 -1.574 1.00 0.00 H new ATOM 959 N PRO A 66 -20.998 7.225 4.704 1.00 0.00 N ATOM 960 CA PRO A 66 -19.983 7.685 5.607 1.00 0.00 C ATOM 961 C PRO A 66 -19.197 6.612 6.280 1.00 0.00 C ATOM 962 O PRO A 66 -18.040 6.946 6.530 1.00 0.00 O ATOM 963 CB PRO A 66 -20.700 8.648 6.551 1.00 0.00 C ATOM 964 CG PRO A 66 -22.111 8.043 6.625 1.00 0.00 C ATOM 965 CD PRO A 66 -22.335 7.520 5.197 1.00 0.00 C ATOM 0 HA PRO A 66 -19.183 8.190 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.223 8.689 7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.714 9.666 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.169 7.242 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.856 8.788 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.965 6.630 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.832 8.264 4.575 1.00 0.00 H new ATOM 973 N GLU A 67 -19.661 5.364 6.465 1.00 0.00 N ATOM 974 CA GLU A 67 -18.812 4.311 6.929 1.00 0.00 C ATOM 975 C GLU A 67 -17.698 3.934 6.014 1.00 0.00 C ATOM 976 O GLU A 67 -16.537 3.833 6.406 1.00 0.00 O ATOM 977 CB GLU A 67 -19.626 3.046 7.246 1.00 0.00 C ATOM 978 CG GLU A 67 -18.828 2.054 8.095 1.00 0.00 C ATOM 979 CD GLU A 67 -19.609 0.786 8.408 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.865 0.682 8.419 1.00 0.00 O ATOM 981 OE2 GLU A 67 -18.968 -0.257 8.704 1.00 0.00 O ATOM 0 H GLU A 67 -20.626 5.083 6.293 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.352 4.727 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.539 3.324 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.929 2.566 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.910 1.790 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.535 2.535 9.028 1.00 0.00 H new ATOM 988 N PHE A 68 -17.977 3.680 4.723 1.00 0.00 N ATOM 989 CA PHE A 68 -17.032 3.618 3.651 1.00 0.00 C ATOM 990 C PHE A 68 -16.068 4.739 3.473 1.00 0.00 C ATOM 991 O PHE A 68 -14.856 4.531 3.444 1.00 0.00 O ATOM 992 CB PHE A 68 -17.824 3.464 2.342 1.00 0.00 C ATOM 993 CG PHE A 68 -17.094 3.247 1.061 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.742 2.048 0.488 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.847 4.389 0.335 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.863 2.036 -0.569 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.166 4.375 -0.859 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.595 3.192 -1.264 1.00 0.00 C ATOM 0 H PHE A 68 -18.931 3.506 4.407 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.393 2.776 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.510 2.627 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.434 4.360 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.153 1.123 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.202 5.334 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.380 1.113 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.082 5.267 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.940 3.171 -2.123 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.553 5.994 3.463 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.713 7.152 3.481 1.00 0.00 C ATOM 1010 C LEU A 69 -14.639 7.148 4.513 1.00 0.00 C ATOM 1011 O LEU A 69 -13.484 7.453 4.221 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.645 8.365 3.643 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.139 9.735 3.161 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.395 10.621 3.115 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.041 10.363 4.036 1.00 0.00 C ATOM 0 H LEU A 69 -17.550 6.209 3.442 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.152 7.180 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.572 8.146 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.895 8.455 4.700 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.649 9.629 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.122 11.622 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.119 10.191 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.835 10.680 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.748 11.326 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.420 10.507 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.175 9.701 4.064 1.00 0.00 H new ATOM 1027 N THR A 70 -14.901 6.862 5.801 1.00 0.00 N ATOM 1028 CA THR A 70 -13.920 6.836 6.843 1.00 0.00 C ATOM 1029 C THR A 70 -13.067 5.623 6.701 1.00 0.00 C ATOM 1030 O THR A 70 -11.939 5.600 7.191 1.00 0.00 O ATOM 1031 CB THR A 70 -14.399 6.929 8.261 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.559 6.130 8.442 1.00 0.00 O ATOM 1033 CG2 THR A 70 -14.750 8.405 8.510 1.00 0.00 C ATOM 0 H THR A 70 -15.840 6.639 6.132 1.00 0.00 H new ATOM 0 HA THR A 70 -13.373 7.766 6.688 1.00 0.00 H new ATOM 0 HB THR A 70 -13.634 6.576 8.953 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.861 6.198 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.106 8.527 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.863 9.020 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.530 8.716 7.815 1.00 0.00 H new ATOM 1041 N MET A 71 -13.567 4.592 5.997 1.00 0.00 N ATOM 1042 CA MET A 71 -12.750 3.457 5.700 1.00 0.00 C ATOM 1043 C MET A 71 -11.712 3.646 4.648 1.00 0.00 C ATOM 1044 O MET A 71 -10.536 3.317 4.796 1.00 0.00 O ATOM 1045 CB MET A 71 -13.466 2.168 5.263 1.00 0.00 C ATOM 1046 CG MET A 71 -13.745 1.169 6.388 1.00 0.00 C ATOM 1047 SD MET A 71 -12.188 0.456 6.998 1.00 0.00 S ATOM 1048 CE MET A 71 -12.761 -0.217 8.585 1.00 0.00 C ATOM 0 H MET A 71 -14.521 4.543 5.639 1.00 0.00 H new ATOM 0 HA MET A 71 -12.317 3.352 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.412 2.437 4.794 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.862 1.675 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.269 1.667 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.399 0.376 6.026 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.180 0.221 9.397 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.815 0.023 8.722 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.631 -1.299 8.589 1.00 0.00 H new ATOM 1058 N MET A 72 -12.087 4.498 3.677 1.00 0.00 N ATOM 1059 CA MET A 72 -11.127 5.012 2.750 1.00 0.00 C ATOM 1060 C MET A 72 -10.125 5.985 3.272 1.00 0.00 C ATOM 1061 O MET A 72 -8.937 6.004 2.957 1.00 0.00 O ATOM 1062 CB MET A 72 -11.803 5.781 1.603 1.00 0.00 C ATOM 1063 CG MET A 72 -12.611 4.817 0.732 1.00 0.00 C ATOM 1064 SD MET A 72 -13.080 5.461 -0.902 1.00 0.00 S ATOM 1065 CE MET A 72 -11.587 4.803 -1.700 1.00 0.00 C ATOM 0 H MET A 72 -13.042 4.828 3.534 1.00 0.00 H new ATOM 0 HA MET A 72 -10.619 4.093 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.457 6.554 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.049 6.286 0.999 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.031 3.905 0.593 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.518 4.539 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.582 5.087 -2.752 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.703 5.211 -1.210 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.579 3.716 -1.617 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.551 6.713 4.319 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.703 7.505 5.155 1.00 0.00 C ATOM 1077 C ALA A 73 -8.621 6.812 5.910 1.00 0.00 C ATOM 1078 O ALA A 73 -7.555 7.351 6.204 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.517 8.357 6.143 1.00 0.00 C ATOM 0 H ALA A 73 -11.532 6.751 4.596 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.184 8.114 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.839 8.945 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.176 9.026 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.115 7.705 6.780 1.00 0.00 H new ATOM 1234 N GLU A 83 -3.352 20.768 2.143 1.00 0.00 N ATOM 1235 CA GLU A 83 -3.521 21.100 3.524 1.00 0.00 C ATOM 1236 C GLU A 83 -4.981 21.131 3.821 1.00 0.00 C ATOM 1237 O GLU A 83 -5.477 22.204 4.160 1.00 0.00 O ATOM 1238 CB GLU A 83 -2.964 22.501 3.828 1.00 0.00 C ATOM 1239 CG GLU A 83 -1.479 22.762 3.568 1.00 0.00 C ATOM 1240 CD GLU A 83 -0.927 24.057 4.146 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -1.572 25.128 3.988 1.00 0.00 O ATOM 1242 OE2 GLU A 83 0.140 24.120 4.814 1.00 0.00 O ATOM 0 HA GLU A 83 -2.993 20.360 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.536 23.221 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.161 22.717 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.906 21.930 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.313 22.766 2.491 1.00 0.00 H new ATOM 1249 N GLU A 84 -5.745 20.024 3.833 1.00 0.00 N ATOM 1250 CA GLU A 84 -7.087 19.936 4.321 1.00 0.00 C ATOM 1251 C GLU A 84 -7.095 19.997 5.810 1.00 0.00 C ATOM 1252 O GLU A 84 -7.313 21.084 6.342 1.00 0.00 O ATOM 1253 CB GLU A 84 -7.759 18.651 3.810 1.00 0.00 C ATOM 1254 CG GLU A 84 -7.891 18.568 2.288 1.00 0.00 C ATOM 1255 CD GLU A 84 -8.423 17.275 1.688 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -8.891 16.348 2.402 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -8.454 17.219 0.430 1.00 0.00 O ATOM 0 H GLU A 84 -5.402 19.131 3.478 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.660 20.784 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.186 17.792 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.752 18.574 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.543 19.380 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.908 18.757 1.856 1.00 0.00 H new ATOM 1264 N ILE A 85 -6.751 18.866 6.452 1.00 0.00 N ATOM 1265 CA ILE A 85 -6.837 18.812 7.879 1.00 0.00 C ATOM 1266 C ILE A 85 -5.663 19.432 8.554 1.00 0.00 C ATOM 1267 O ILE A 85 -5.881 19.980 9.634 1.00 0.00 O ATOM 1268 CB ILE A 85 -6.975 17.401 8.370 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -6.066 16.347 7.716 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -8.454 16.997 8.242 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -6.488 15.720 6.388 1.00 0.00 C ATOM 0 H ILE A 85 -6.423 18.012 6.000 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.728 19.385 8.135 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.631 17.410 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.088 16.804 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.933 15.537 8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.583 15.973 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.068 17.667 8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.761 17.064 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.734 15.000 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.445 15.213 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.586 16.500 5.633 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.494 19.596 7.910 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.470 20.519 8.289 1.00 0.00 C ATOM 1285 C ARG A 86 -3.971 21.916 8.422 1.00 0.00 C ATOM 1286 O ARG A 86 -3.688 22.573 9.423 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.242 20.536 7.363 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.123 19.564 7.745 1.00 0.00 C ATOM 1289 CD ARG A 86 0.213 19.755 7.023 1.00 0.00 C ATOM 1290 NE ARG A 86 1.147 18.663 7.419 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.431 18.675 6.955 1.00 0.00 C ATOM 1292 NH1 ARG A 86 2.954 19.702 6.224 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.204 17.572 7.170 1.00 0.00 N ATOM 0 H ARG A 86 -4.251 19.055 7.080 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.153 20.140 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.569 20.308 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.834 21.546 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.948 19.647 8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.472 18.549 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.061 19.746 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.641 20.725 7.276 1.00 0.00 H new ATOM 0 HE ARG A 86 0.829 17.912 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.378 20.513 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.921 19.658 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.819 16.768 7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.167 17.551 6.835 1.00 0.00 H new ATOM 1307 N GLU A 87 -4.730 22.434 7.439 1.00 0.00 N ATOM 1308 CA GLU A 87 -5.256 23.762 7.510 1.00 0.00 C ATOM 1309 C GLU A 87 -6.503 23.880 8.317 1.00 0.00 C ATOM 1310 O GLU A 87 -6.839 24.953 8.816 1.00 0.00 O ATOM 1311 CB GLU A 87 -5.549 24.429 6.156 1.00 0.00 C ATOM 1312 CG GLU A 87 -5.727 25.948 6.210 1.00 0.00 C ATOM 1313 CD GLU A 87 -5.712 26.538 4.807 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -6.506 26.075 3.945 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -4.965 27.495 4.471 1.00 0.00 O ATOM 0 H GLU A 87 -4.981 21.929 6.589 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.431 24.282 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.734 24.198 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.453 23.987 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.668 26.192 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.930 26.392 6.806 1.00 0.00 H new ATOM 1322 N ALA A 88 -7.191 22.794 8.712 1.00 0.00 N ATOM 1323 CA ALA A 88 -8.302 22.853 9.610 1.00 0.00 C ATOM 1324 C ALA A 88 -7.845 22.939 11.026 1.00 0.00 C ATOM 1325 O ALA A 88 -8.476 23.546 11.890 1.00 0.00 O ATOM 1326 CB ALA A 88 -9.151 21.579 9.460 1.00 0.00 C ATOM 0 H ALA A 88 -6.969 21.849 8.398 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.884 23.741 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.998 21.624 10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.516 21.503 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.541 20.706 9.693 1.00 0.00 H new ATOM 1332 N PHE A 89 -6.727 22.308 11.426 1.00 0.00 N ATOM 1333 CA PHE A 89 -6.044 22.442 12.675 1.00 0.00 C ATOM 1334 C PHE A 89 -5.607 23.853 12.871 1.00 0.00 C ATOM 1335 O PHE A 89 -5.858 24.469 13.905 1.00 0.00 O ATOM 1336 CB PHE A 89 -4.774 21.577 12.741 1.00 0.00 C ATOM 1337 CG PHE A 89 -4.409 21.447 14.180 1.00 0.00 C ATOM 1338 CD1 PHE A 89 -3.642 22.342 14.889 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -4.852 20.337 14.860 1.00 0.00 C ATOM 1340 CE1 PHE A 89 -3.396 22.196 16.234 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -4.649 20.191 16.212 1.00 0.00 C ATOM 1342 CZ PHE A 89 -3.868 21.090 16.900 1.00 0.00 C ATOM 0 H PHE A 89 -6.258 21.640 10.814 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.749 22.123 13.443 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.952 20.597 12.298 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.963 22.039 12.178 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.218 23.189 14.371 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.372 19.561 14.319 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.833 22.949 16.766 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.106 19.365 16.737 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.631 20.930 17.941 1.00 0.00 H new ATOM 1352 N ARG A 90 -5.081 24.458 11.791 1.00 0.00 N ATOM 1353 CA ARG A 90 -4.622 25.812 11.758 1.00 0.00 C ATOM 1354 C ARG A 90 -5.703 26.835 11.703 1.00 0.00 C ATOM 1355 O ARG A 90 -5.578 28.058 11.749 1.00 0.00 O ATOM 1356 CB ARG A 90 -3.650 25.930 10.573 1.00 0.00 C ATOM 1357 CG ARG A 90 -2.567 27.008 10.649 1.00 0.00 C ATOM 1358 CD ARG A 90 -1.825 27.155 9.319 1.00 0.00 C ATOM 1359 NE ARG A 90 -1.186 25.836 9.052 1.00 0.00 N ATOM 1360 CZ ARG A 90 -0.996 25.411 7.769 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -1.431 26.034 6.635 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -0.196 24.333 7.519 1.00 0.00 N ATOM 0 H ARG A 90 -4.971 23.979 10.897 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.123 26.032 12.702 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.156 24.966 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.238 26.108 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.020 27.961 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.857 26.756 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.513 27.424 8.517 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.077 27.946 9.376 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.889 25.248 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.955 26.907 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.232 25.627 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.259 23.846 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.054 24.015 6.560 1.00 0.00 H new ATOM 1376 N VAL A 91 -6.919 26.393 11.335 1.00 0.00 N ATOM 1377 CA VAL A 91 -8.095 27.198 11.459 1.00 0.00 C ATOM 1378 C VAL A 91 -8.499 27.268 12.891 1.00 0.00 C ATOM 1379 O VAL A 91 -8.797 28.345 13.405 1.00 0.00 O ATOM 1380 CB VAL A 91 -9.199 26.759 10.544 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -10.633 26.972 11.057 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -8.936 27.504 9.224 1.00 0.00 C ATOM 0 H VAL A 91 -7.089 25.465 10.946 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.863 28.210 11.128 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.169 25.674 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.343 26.617 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.774 26.417 11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.800 28.033 11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.703 27.237 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.962 28.579 9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.956 27.224 8.837 1.00 0.00 H new ATOM 1392 N PHE A 92 -8.515 26.162 13.657 1.00 0.00 N ATOM 1393 CA PHE A 92 -8.989 26.156 15.006 1.00 0.00 C ATOM 1394 C PHE A 92 -8.091 26.616 16.102 1.00 0.00 C ATOM 1395 O PHE A 92 -8.485 27.133 17.147 1.00 0.00 O ATOM 1396 CB PHE A 92 -9.415 24.753 15.470 1.00 0.00 C ATOM 1397 CG PHE A 92 -10.656 24.208 14.850 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -11.830 24.924 14.869 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -10.680 23.011 14.174 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -12.927 24.547 14.131 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -11.772 22.591 13.452 1.00 0.00 C ATOM 1402 CZ PHE A 92 -12.925 23.340 13.472 1.00 0.00 C ATOM 0 H PHE A 92 -8.191 25.251 13.331 1.00 0.00 H new ATOM 0 HA PHE A 92 -9.790 26.886 14.891 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.597 24.061 15.267 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -9.553 24.776 16.551 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.892 25.810 15.483 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.807 22.376 14.212 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.788 25.197 14.069 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.725 21.680 12.874 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.817 22.985 12.977 1.00 0.00 H new ATOM 1412 N ASP A 93 -6.784 26.340 15.949 1.00 0.00 N ATOM 1413 CA ASP A 93 -5.791 26.741 16.898 1.00 0.00 C ATOM 1414 C ASP A 93 -5.515 28.196 16.732 1.00 0.00 C ATOM 1415 O ASP A 93 -5.224 28.705 15.650 1.00 0.00 O ATOM 1416 CB ASP A 93 -4.504 25.920 16.712 1.00 0.00 C ATOM 1417 CG ASP A 93 -3.610 25.970 17.943 1.00 0.00 C ATOM 1418 OD1 ASP A 93 -4.022 26.610 18.947 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -2.469 25.436 17.923 1.00 0.00 O ATOM 0 H ASP A 93 -6.409 25.828 15.151 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.161 26.558 17.907 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.764 24.884 16.495 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.955 26.298 15.850 1.00 0.00 H new ATOM 1424 N LYS A 94 -5.639 29.037 17.774 1.00 0.00 N ATOM 1425 CA LYS A 94 -5.768 30.460 17.717 1.00 0.00 C ATOM 1426 C LYS A 94 -4.424 31.099 17.800 1.00 0.00 C ATOM 1427 O LYS A 94 -4.018 31.730 16.825 1.00 0.00 O ATOM 1428 CB LYS A 94 -6.769 31.031 18.735 1.00 0.00 C ATOM 1429 CG LYS A 94 -6.953 32.534 18.954 1.00 0.00 C ATOM 1430 CD LYS A 94 -7.377 33.277 17.686 1.00 0.00 C ATOM 1431 CE LYS A 94 -7.578 34.776 17.914 1.00 0.00 C ATOM 1432 NZ LYS A 94 -8.802 35.106 18.677 1.00 0.00 N ATOM 0 H LYS A 94 -5.650 28.692 18.734 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.203 30.709 16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.748 30.633 18.467 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.506 30.605 19.703 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.703 32.693 19.729 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.019 32.959 19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.621 33.130 16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.304 32.844 17.310 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.712 35.172 18.445 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.617 35.279 16.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.926 36.138 18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.626 34.671 18.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.715 34.741 19.647 1.00 0.00 H new ATOM 1446 N ASP A 95 -3.731 30.865 18.929 1.00 0.00 N ATOM 1447 CA ASP A 95 -2.417 31.286 19.302 1.00 0.00 C ATOM 1448 C ASP A 95 -1.425 30.635 18.400 1.00 0.00 C ATOM 1449 O ASP A 95 -0.564 31.252 17.776 1.00 0.00 O ATOM 1450 CB ASP A 95 -2.244 31.201 20.827 1.00 0.00 C ATOM 1451 CG ASP A 95 -2.155 29.768 21.334 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -2.775 28.815 20.791 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -1.544 29.658 22.430 1.00 0.00 O ATOM 0 H ASP A 95 -4.151 30.308 19.673 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.227 32.346 19.132 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.342 31.740 21.116 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.083 31.701 21.311 1.00 0.00 H new ATOM 1458 N GLY A 96 -1.673 29.323 18.231 1.00 0.00 N ATOM 1459 CA GLY A 96 -0.876 28.450 17.426 1.00 0.00 C ATOM 1460 C GLY A 96 0.302 27.937 18.179 1.00 0.00 C ATOM 1461 O GLY A 96 1.488 28.068 17.879 1.00 0.00 O ATOM 0 H GLY A 96 -2.462 28.852 18.674 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.484 27.612 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.537 28.981 16.537 1.00 0.00 H new ATOM 1465 N ASN A 97 -0.036 27.218 19.264 1.00 0.00 N ATOM 1466 CA ASN A 97 0.901 26.504 20.075 1.00 0.00 C ATOM 1467 C ASN A 97 0.960 25.064 19.699 1.00 0.00 C ATOM 1468 O ASN A 97 1.903 24.406 20.136 1.00 0.00 O ATOM 1469 CB ASN A 97 0.772 26.951 21.541 1.00 0.00 C ATOM 1470 CG ASN A 97 -0.527 26.448 22.155 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -1.534 26.118 21.530 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -0.418 26.319 23.504 1.00 0.00 N ATOM 0 H ASN A 97 -0.999 27.130 19.589 1.00 0.00 H new ATOM 0 HA ASN A 97 1.940 26.767 19.876 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.619 26.575 22.115 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.807 28.039 21.597 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.193 25.934 24.044 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.439 26.607 23.976 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.044 24.532 18.980 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.093 23.191 18.486 1.00 0.00 C ATOM 1481 C GLY A 98 -1.089 22.354 19.214 1.00 0.00 C ATOM 1482 O GLY A 98 -1.196 21.137 19.074 1.00 0.00 O ATOM 0 H GLY A 98 -0.872 25.072 18.728 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.342 23.206 17.425 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.894 22.737 18.576 1.00 0.00 H new ATOM 1486 N TYR A 99 -1.745 23.008 20.189 1.00 0.00 N ATOM 1487 CA TYR A 99 -2.819 22.466 20.961 1.00 0.00 C ATOM 1488 C TYR A 99 -4.119 23.177 20.800 1.00 0.00 C ATOM 1489 O TYR A 99 -4.204 24.401 20.894 1.00 0.00 O ATOM 1490 CB TYR A 99 -2.502 22.503 22.466 1.00 0.00 C ATOM 1491 CG TYR A 99 -1.226 21.771 22.705 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -1.216 20.420 22.454 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -0.088 22.454 23.066 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -0.080 19.647 22.501 1.00 0.00 C ATOM 1495 CE2 TYR A 99 1.042 21.675 23.150 1.00 0.00 C ATOM 1496 CZ TYR A 99 1.030 20.313 22.965 1.00 0.00 C ATOM 1497 OH TYR A 99 2.219 19.555 23.026 1.00 0.00 O ATOM 0 H TYR A 99 -1.513 23.966 20.452 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.917 21.450 20.580 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.416 23.534 22.808 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.312 22.045 23.034 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.151 19.939 22.206 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.082 23.515 23.267 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.061 18.610 22.200 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.983 22.156 23.372 1.00 0.00 H new ATOM 0 HH TYR A 99 2.947 20.116 23.366 1.00 0.00 H new ATOM 1507 N ILE A 100 -5.222 22.465 20.509 1.00 0.00 N ATOM 1508 CA ILE A 100 -6.535 23.031 20.540 1.00 0.00 C ATOM 1509 C ILE A 100 -7.014 22.913 21.946 1.00 0.00 C ATOM 1510 O ILE A 100 -7.174 21.811 22.469 1.00 0.00 O ATOM 1511 CB ILE A 100 -7.566 22.428 19.634 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -7.152 22.120 18.185 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -8.626 23.526 19.446 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -8.154 21.390 17.292 1.00 0.00 C ATOM 0 H ILE A 100 -5.202 21.479 20.248 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.429 24.051 20.171 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.841 21.485 20.107 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.900 23.064 17.702 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.239 21.525 18.218 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.417 23.160 18.792 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.050 23.792 20.414 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.163 24.405 18.998 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.721 21.244 16.302 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.393 20.421 17.730 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.064 21.983 17.206 1.00 0.00 H new ATOM 1526 N SER A 101 -7.358 24.039 22.595 1.00 0.00 N ATOM 1527 CA SER A 101 -8.050 24.023 23.847 1.00 0.00 C ATOM 1528 C SER A 101 -9.489 24.308 23.589 1.00 0.00 C ATOM 1529 O SER A 101 -9.850 24.861 22.551 1.00 0.00 O ATOM 1530 CB SER A 101 -7.500 25.025 24.875 1.00 0.00 C ATOM 1531 OG SER A 101 -7.447 26.367 24.414 1.00 0.00 O ATOM 0 H SER A 101 -7.153 24.975 22.246 1.00 0.00 H new ATOM 0 HA SER A 101 -7.906 23.036 24.286 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.120 24.985 25.771 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.497 24.714 25.167 1.00 0.00 H new ATOM 0 HG SER A 101 -6.853 26.423 23.637 1.00 0.00 H new ATOM 1537 N ALA A 102 -10.374 23.917 24.523 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.771 24.072 24.259 1.00 0.00 C ATOM 1539 C ALA A 102 -12.300 25.452 24.069 1.00 0.00 C ATOM 1540 O ALA A 102 -13.235 25.672 23.302 1.00 0.00 O ATOM 1541 CB ALA A 102 -12.491 23.449 25.467 1.00 0.00 C ATOM 0 H ALA A 102 -10.137 23.509 25.427 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.947 23.599 23.293 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.569 23.533 25.331 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.217 22.397 25.551 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.198 23.974 26.376 1.00 0.00 H new ATOM 1547 N ALA A 103 -11.773 26.543 24.653 1.00 0.00 N ATOM 1548 CA ALA A 103 -12.168 27.889 24.376 1.00 0.00 C ATOM 1549 C ALA A 103 -11.816 28.325 22.995 1.00 0.00 C ATOM 1550 O ALA A 103 -12.529 29.101 22.361 1.00 0.00 O ATOM 1551 CB ALA A 103 -11.386 28.722 25.405 1.00 0.00 C ATOM 0 H ALA A 103 -11.034 26.483 25.354 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.250 28.002 24.443 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.622 29.778 25.274 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.664 28.411 26.412 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.317 28.569 25.260 1.00 0.00 H new ATOM 1557 N GLU A 104 -10.746 27.831 22.347 1.00 0.00 N ATOM 1558 CA GLU A 104 -10.362 28.147 21.007 1.00 0.00 C ATOM 1559 C GLU A 104 -11.266 27.434 20.061 1.00 0.00 C ATOM 1560 O GLU A 104 -11.597 28.062 19.056 1.00 0.00 O ATOM 1561 CB GLU A 104 -8.917 27.667 20.794 1.00 0.00 C ATOM 1562 CG GLU A 104 -7.910 28.431 21.656 1.00 0.00 C ATOM 1563 CD GLU A 104 -6.485 27.915 21.521 1.00 0.00 C ATOM 1564 OE1 GLU A 104 -6.180 26.801 22.025 1.00 0.00 O ATOM 1565 OE2 GLU A 104 -5.604 28.588 20.922 1.00 0.00 O ATOM 0 H GLU A 104 -10.109 27.168 22.789 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.430 29.221 20.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.854 26.604 21.024 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.651 27.782 19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.934 29.486 21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.214 28.367 22.701 1.00 0.00 H new ATOM 1572 N LEU A 105 -11.633 26.171 20.343 1.00 0.00 N ATOM 1573 CA LEU A 105 -12.673 25.543 19.588 1.00 0.00 C ATOM 1574 C LEU A 105 -13.947 26.315 19.576 1.00 0.00 C ATOM 1575 O LEU A 105 -14.483 26.491 18.483 1.00 0.00 O ATOM 1576 CB LEU A 105 -12.768 24.045 19.924 1.00 0.00 C ATOM 1577 CG LEU A 105 -13.862 23.236 19.207 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -13.561 23.292 17.699 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -13.766 21.799 19.748 1.00 0.00 C ATOM 0 H LEU A 105 -11.221 25.595 21.077 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.402 25.567 18.533 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.805 23.586 19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.924 23.948 20.998 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.868 23.622 19.375 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.318 22.727 17.156 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.572 24.329 17.364 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -12.579 22.859 17.508 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -14.524 21.179 19.270 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.777 21.394 19.532 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.928 21.804 20.826 1.00 0.00 H new ATOM 1591 N ARG A 106 -14.463 26.947 20.645 1.00 0.00 N ATOM 1592 CA ARG A 106 -15.699 27.656 20.523 1.00 0.00 C ATOM 1593 C ARG A 106 -15.537 28.996 19.892 1.00 0.00 C ATOM 1594 O ARG A 106 -16.357 29.385 19.063 1.00 0.00 O ATOM 1595 CB ARG A 106 -16.342 27.876 21.903 1.00 0.00 C ATOM 1596 CG ARG A 106 -17.851 28.103 22.008 1.00 0.00 C ATOM 1597 CD ARG A 106 -18.256 28.471 23.437 1.00 0.00 C ATOM 1598 NE ARG A 106 -19.697 28.846 23.384 1.00 0.00 N ATOM 1599 CZ ARG A 106 -20.420 29.459 24.366 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -19.909 29.936 25.538 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -21.704 29.801 24.052 1.00 0.00 N ATOM 0 H ARG A 106 -14.038 26.969 21.572 1.00 0.00 H new ATOM 0 HA ARG A 106 -16.330 27.035 19.888 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -16.100 27.009 22.517 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -15.851 28.736 22.358 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -18.150 28.899 21.326 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -18.380 27.202 21.698 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -18.098 27.631 24.114 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -17.653 29.299 23.810 1.00 0.00 H new ATOM 0 HE ARG A 106 -20.196 28.621 22.523 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -18.912 29.847 25.733 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -20.524 30.382 26.219 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -22.074 29.596 23.124 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -22.293 30.262 24.746 1.00 0.00 H new ATOM 1615 N HIS A 107 -14.403 29.678 20.136 1.00 0.00 N ATOM 1616 CA HIS A 107 -14.183 30.910 19.444 1.00 0.00 C ATOM 1617 C HIS A 107 -14.027 30.760 17.969 1.00 0.00 C ATOM 1618 O HIS A 107 -14.760 31.466 17.280 1.00 0.00 O ATOM 1619 CB HIS A 107 -12.883 31.530 19.984 1.00 0.00 C ATOM 1620 CG HIS A 107 -12.332 32.676 19.189 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -12.926 33.909 19.008 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -11.333 32.679 18.266 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -12.336 34.545 17.961 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -11.319 33.834 17.511 1.00 0.00 N ATOM 0 H HIS A 107 -13.668 29.393 20.783 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.064 31.529 19.615 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.061 31.871 21.004 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.124 30.750 20.037 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -13.689 34.284 19.572 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.630 31.869 18.138 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.654 35.495 17.556 1.00 0.00 H new ATOM 1632 N VAL A 108 -13.267 29.793 17.425 1.00 0.00 N ATOM 1633 CA VAL A 108 -13.330 29.522 16.023 1.00 0.00 C ATOM 1634 C VAL A 108 -14.615 29.024 15.457 1.00 0.00 C ATOM 1635 O VAL A 108 -14.833 29.231 14.264 1.00 0.00 O ATOM 1636 CB VAL A 108 -12.141 28.700 15.623 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -12.105 28.587 14.090 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -10.830 29.354 16.092 1.00 0.00 C ATOM 0 H VAL A 108 -12.617 29.206 17.948 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.294 30.503 15.550 1.00 0.00 H new ATOM 0 HB VAL A 108 -12.231 27.718 16.087 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -11.243 27.991 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.019 28.107 13.739 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -12.027 29.583 13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.986 28.735 15.788 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -10.736 30.343 15.643 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.838 29.448 17.178 1.00 0.00 H new ATOM 1648 N MET A 109 -15.547 28.376 16.179 1.00 0.00 N ATOM 1649 CA MET A 109 -16.770 27.958 15.567 1.00 0.00 C ATOM 1650 C MET A 109 -17.623 29.126 15.209 1.00 0.00 C ATOM 1651 O MET A 109 -18.193 29.123 14.119 1.00 0.00 O ATOM 1652 CB MET A 109 -17.480 26.857 16.372 1.00 0.00 C ATOM 1653 CG MET A 109 -16.843 25.470 16.265 1.00 0.00 C ATOM 1654 SD MET A 109 -16.779 24.680 14.629 1.00 0.00 S ATOM 1655 CE MET A 109 -18.288 23.700 14.871 1.00 0.00 C ATOM 0 H MET A 109 -15.457 28.145 17.168 1.00 0.00 H new ATOM 0 HA MET A 109 -16.531 27.478 14.618 1.00 0.00 H new ATOM 0 HB2 MET A 109 -17.502 27.151 17.421 1.00 0.00 H new ATOM 0 HB3 MET A 109 -18.515 26.792 16.037 1.00 0.00 H new ATOM 0 HG2 MET A 109 -15.822 25.542 16.640 1.00 0.00 H new ATOM 0 HG3 MET A 109 -17.383 24.803 16.937 1.00 0.00 H new ATOM 0 HE1 MET A 109 -18.640 23.330 13.908 1.00 0.00 H new ATOM 0 HE2 MET A 109 -18.073 22.857 15.527 1.00 0.00 H new ATOM 0 HE3 MET A 109 -19.059 24.324 15.323 1.00 0.00 H new ATOM 1665 N THR A 110 -17.677 30.185 16.036 1.00 0.00 N ATOM 1666 CA THR A 110 -18.393 31.366 15.665 1.00 0.00 C ATOM 1667 C THR A 110 -17.706 32.124 14.582 1.00 0.00 C ATOM 1668 O THR A 110 -18.407 32.782 13.814 1.00 0.00 O ATOM 1669 CB THR A 110 -18.570 32.277 16.843 1.00 0.00 C ATOM 1670 OG1 THR A 110 -17.561 32.158 17.836 1.00 0.00 O ATOM 1671 CG2 THR A 110 -19.911 31.850 17.463 1.00 0.00 C ATOM 0 H THR A 110 -17.230 30.225 16.952 1.00 0.00 H new ATOM 0 HA THR A 110 -19.364 31.032 15.299 1.00 0.00 H new ATOM 0 HB THR A 110 -18.523 33.312 16.505 1.00 0.00 H new ATOM 0 HG1 THR A 110 -16.689 32.045 17.404 1.00 0.00 H new ATOM 0 HG21 THR A 110 -20.121 32.468 18.336 1.00 0.00 H new ATOM 0 HG22 THR A 110 -20.707 31.975 16.729 1.00 0.00 H new ATOM 0 HG23 THR A 110 -19.856 30.804 17.764 1.00 0.00 H new ATOM 1679 N ASN A 111 -16.376 32.011 14.419 1.00 0.00 N ATOM 1680 CA ASN A 111 -15.723 32.579 13.280 1.00 0.00 C ATOM 1681 C ASN A 111 -16.134 31.887 12.027 1.00 0.00 C ATOM 1682 O ASN A 111 -16.534 32.476 11.024 1.00 0.00 O ATOM 1683 CB ASN A 111 -14.195 32.409 13.324 1.00 0.00 C ATOM 1684 CG ASN A 111 -13.562 33.238 14.432 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -14.194 34.159 14.948 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -12.304 32.931 14.849 1.00 0.00 N ATOM 0 H ASN A 111 -15.756 31.530 15.071 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.006 33.632 13.298 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.951 31.357 13.474 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.770 32.701 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.871 33.468 15.600 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.794 32.164 14.410 1.00 0.00 H new ATOM 1693 N LEU A 112 -16.335 30.558 12.082 1.00 0.00 N ATOM 1694 CA LEU A 112 -16.736 29.844 10.909 1.00 0.00 C ATOM 1695 C LEU A 112 -18.201 30.012 10.695 1.00 0.00 C ATOM 1696 O LEU A 112 -18.744 29.792 9.614 1.00 0.00 O ATOM 1697 CB LEU A 112 -16.452 28.347 11.114 1.00 0.00 C ATOM 1698 CG LEU A 112 -14.993 27.884 11.259 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -14.907 26.364 11.481 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -14.248 28.282 9.973 1.00 0.00 C ATOM 0 H LEU A 112 -16.223 29.987 12.920 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.186 30.228 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.990 28.028 12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -16.887 27.810 10.271 1.00 0.00 H new ATOM 0 HG LEU A 112 -14.540 28.358 12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.862 26.069 11.580 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.446 26.098 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.351 25.846 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.207 27.967 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.717 27.798 9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.292 29.364 9.847 1.00 0.00 H new ATOM 1712 N GLY A 113 -18.911 30.499 11.728 1.00 0.00 N ATOM 1713 CA GLY A 113 -20.281 30.896 11.622 1.00 0.00 C ATOM 1714 C GLY A 113 -21.168 30.196 12.593 1.00 0.00 C ATOM 1715 O GLY A 113 -22.305 30.550 12.899 1.00 0.00 O ATOM 0 H GLY A 113 -18.522 30.620 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -20.355 31.972 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -20.633 30.699 10.609 1.00 0.00 H new ATOM 1719 N GLU A 114 -20.792 29.010 13.106 1.00 0.00 N ATOM 1720 CA GLU A 114 -21.574 28.161 13.951 1.00 0.00 C ATOM 1721 C GLU A 114 -21.477 28.525 15.393 1.00 0.00 C ATOM 1722 O GLU A 114 -20.374 28.651 15.921 1.00 0.00 O ATOM 1723 CB GLU A 114 -21.142 26.692 13.811 1.00 0.00 C ATOM 1724 CG GLU A 114 -21.974 25.633 14.536 1.00 0.00 C ATOM 1725 CD GLU A 114 -23.133 25.418 13.573 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -22.920 24.761 12.519 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -24.283 25.886 13.788 1.00 0.00 O ATOM 0 H GLU A 114 -19.871 28.616 12.914 1.00 0.00 H new ATOM 0 HA GLU A 114 -22.604 28.297 13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -21.136 26.444 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.114 26.610 14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.409 24.716 14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -22.314 25.981 15.511 1.00 0.00 H new ATOM 1734 N LYS A 115 -22.631 28.587 16.081 1.00 0.00 N ATOM 1735 CA LYS A 115 -22.593 28.704 17.506 1.00 0.00 C ATOM 1736 C LYS A 115 -22.738 27.392 18.197 1.00 0.00 C ATOM 1737 O LYS A 115 -23.848 26.871 18.106 1.00 0.00 O ATOM 1738 CB LYS A 115 -23.724 29.624 17.995 1.00 0.00 C ATOM 1739 CG LYS A 115 -23.584 31.067 17.506 1.00 0.00 C ATOM 1740 CD LYS A 115 -24.775 31.881 18.015 1.00 0.00 C ATOM 1741 CE LYS A 115 -25.879 31.777 16.960 1.00 0.00 C ATOM 1742 NZ LYS A 115 -27.201 32.249 17.428 1.00 0.00 N ATOM 0 H LYS A 115 -23.563 28.557 15.668 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.615 29.118 17.750 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -24.680 29.224 17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -23.743 29.617 19.085 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -22.651 31.498 17.867 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.547 31.094 16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.122 31.496 18.974 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.491 32.921 18.173 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -25.587 32.356 16.084 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.967 30.738 16.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -27.897 32.148 16.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -27.503 31.682 18.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -27.134 33.249 17.706 1.00 0.00 H new ATOM 1756 N LEU A 116 -21.674 26.888 18.848 1.00 0.00 N ATOM 1757 CA LEU A 116 -21.736 25.702 19.644 1.00 0.00 C ATOM 1758 C LEU A 116 -21.762 26.186 21.053 1.00 0.00 C ATOM 1759 O LEU A 116 -21.205 27.231 21.386 1.00 0.00 O ATOM 1760 CB LEU A 116 -20.514 24.783 19.480 1.00 0.00 C ATOM 1761 CG LEU A 116 -20.315 23.937 18.211 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -19.203 22.898 18.434 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -21.613 23.344 17.638 1.00 0.00 C ATOM 0 H LEU A 116 -20.748 27.315 18.820 1.00 0.00 H new ATOM 0 HA LEU A 116 -22.604 25.113 19.346 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.629 25.410 19.586 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -20.519 24.093 20.324 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.984 24.612 17.422 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.072 22.305 17.529 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -18.270 23.409 18.672 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -19.478 22.242 19.260 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -21.384 22.762 16.745 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -22.078 22.698 18.383 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -22.299 24.151 17.379 1.00 0.00 H new ATOM 1775 N THR A 117 -22.459 25.471 21.954 1.00 0.00 N ATOM 1776 CA THR A 117 -22.449 25.728 23.361 1.00 0.00 C ATOM 1777 C THR A 117 -21.157 25.217 23.900 1.00 0.00 C ATOM 1778 O THR A 117 -20.488 24.392 23.279 1.00 0.00 O ATOM 1779 CB THR A 117 -23.519 25.061 24.173 1.00 0.00 C ATOM 1780 OG1 THR A 117 -23.513 23.653 23.988 1.00 0.00 O ATOM 1781 CG2 THR A 117 -24.947 25.555 23.886 1.00 0.00 C ATOM 0 H THR A 117 -23.052 24.684 21.693 1.00 0.00 H new ATOM 0 HA THR A 117 -22.612 26.802 23.450 1.00 0.00 H new ATOM 0 HB THR A 117 -23.267 25.331 25.199 1.00 0.00 H new ATOM 0 HG1 THR A 117 -24.059 23.423 23.207 1.00 0.00 H new ATOM 0 HG21 THR A 117 -25.652 25.017 24.519 1.00 0.00 H new ATOM 0 HG22 THR A 117 -25.012 26.622 24.097 1.00 0.00 H new ATOM 0 HG23 THR A 117 -25.190 25.377 22.839 1.00 0.00 H new ATOM 1789 N ASP A 118 -20.751 25.541 25.140 1.00 0.00 N ATOM 1790 CA ASP A 118 -19.607 25.045 25.840 1.00 0.00 C ATOM 1791 C ASP A 118 -19.577 23.556 25.887 1.00 0.00 C ATOM 1792 O ASP A 118 -18.529 22.934 25.724 1.00 0.00 O ATOM 1793 CB ASP A 118 -19.502 25.578 27.279 1.00 0.00 C ATOM 1794 CG ASP A 118 -19.461 27.097 27.368 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -18.640 27.740 26.661 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -20.265 27.669 28.152 1.00 0.00 O ATOM 0 H ASP A 118 -21.273 26.212 25.703 1.00 0.00 H new ATOM 0 HA ASP A 118 -18.755 25.411 25.268 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -20.352 25.212 27.855 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -18.603 25.171 27.743 1.00 0.00 H new ATOM 1801 N GLU A 119 -20.686 22.943 26.337 1.00 0.00 N ATOM 1802 CA GLU A 119 -20.862 21.568 26.688 1.00 0.00 C ATOM 1803 C GLU A 119 -20.675 20.767 25.445 1.00 0.00 C ATOM 1804 O GLU A 119 -19.969 19.761 25.485 1.00 0.00 O ATOM 1805 CB GLU A 119 -22.228 21.211 27.298 1.00 0.00 C ATOM 1806 CG GLU A 119 -22.662 22.102 28.464 1.00 0.00 C ATOM 1807 CD GLU A 119 -23.204 23.482 28.121 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -22.432 24.450 27.887 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -24.453 23.644 28.097 1.00 0.00 O ATOM 0 H GLU A 119 -21.550 23.469 26.468 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.132 21.349 27.467 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -22.985 21.266 26.516 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -22.198 20.177 27.641 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -23.427 21.570 29.029 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -21.807 22.230 29.127 1.00 0.00 H new ATOM 1816 N GLU A 120 -21.243 21.167 24.293 1.00 0.00 N ATOM 1817 CA GLU A 120 -20.960 20.571 23.025 1.00 0.00 C ATOM 1818 C GLU A 120 -19.520 20.559 22.643 1.00 0.00 C ATOM 1819 O GLU A 120 -18.954 19.559 22.205 1.00 0.00 O ATOM 1820 CB GLU A 120 -21.876 21.264 22.002 1.00 0.00 C ATOM 1821 CG GLU A 120 -23.391 21.055 21.950 1.00 0.00 C ATOM 1822 CD GLU A 120 -24.070 22.139 21.125 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -24.121 23.334 21.521 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -24.490 21.885 19.964 1.00 0.00 O ATOM 0 H GLU A 120 -21.920 21.928 24.243 1.00 0.00 H new ATOM 0 HA GLU A 120 -21.175 19.503 23.068 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -21.718 22.336 22.124 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -21.495 20.996 21.017 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -23.611 20.077 21.521 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -23.796 21.058 22.962 1.00 0.00 H new ATOM 1831 N VAL A 121 -18.851 21.718 22.784 1.00 0.00 N ATOM 1832 CA VAL A 121 -17.441 21.866 22.594 1.00 0.00 C ATOM 1833 C VAL A 121 -16.613 21.005 23.485 1.00 0.00 C ATOM 1834 O VAL A 121 -15.751 20.290 22.976 1.00 0.00 O ATOM 1835 CB VAL A 121 -17.136 23.335 22.563 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -15.628 23.580 22.740 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -17.659 23.988 21.273 1.00 0.00 C ATOM 0 H VAL A 121 -19.313 22.590 23.042 1.00 0.00 H new ATOM 0 HA VAL A 121 -17.133 21.462 21.630 1.00 0.00 H new ATOM 0 HB VAL A 121 -17.655 23.804 23.399 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -15.428 24.651 22.715 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -15.303 23.173 23.697 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -15.083 23.090 21.934 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -17.422 25.052 21.282 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -17.187 23.518 20.410 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -18.739 23.857 21.211 1.00 0.00 H new ATOM 1847 N ASP A 122 -16.878 20.930 24.801 1.00 0.00 N ATOM 1848 CA ASP A 122 -16.185 19.992 25.629 1.00 0.00 C ATOM 1849 C ASP A 122 -16.252 18.572 25.183 1.00 0.00 C ATOM 1850 O ASP A 122 -15.259 17.848 25.242 1.00 0.00 O ATOM 1851 CB ASP A 122 -16.858 20.115 27.006 1.00 0.00 C ATOM 1852 CG ASP A 122 -16.185 19.410 28.175 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -15.199 20.051 28.628 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -16.540 18.270 28.579 1.00 0.00 O ATOM 0 H ASP A 122 -17.562 21.510 25.287 1.00 0.00 H new ATOM 0 HA ASP A 122 -15.122 20.231 25.610 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.936 21.174 27.250 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.875 19.732 26.920 1.00 0.00 H new ATOM 1859 N GLU A 123 -17.362 18.083 24.601 1.00 0.00 N ATOM 1860 CA GLU A 123 -17.549 16.718 24.220 1.00 0.00 C ATOM 1861 C GLU A 123 -16.661 16.294 23.101 1.00 0.00 C ATOM 1862 O GLU A 123 -16.218 15.164 22.900 1.00 0.00 O ATOM 1863 CB GLU A 123 -18.957 16.351 23.721 1.00 0.00 C ATOM 1864 CG GLU A 123 -20.064 16.210 24.768 1.00 0.00 C ATOM 1865 CD GLU A 123 -19.714 15.235 25.882 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -19.220 14.108 25.609 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -19.938 15.664 27.045 1.00 0.00 O ATOM 0 H GLU A 123 -18.168 18.669 24.386 1.00 0.00 H new ATOM 0 HA GLU A 123 -17.329 16.215 25.162 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -19.268 17.110 23.003 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -18.886 15.409 23.178 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -20.272 17.188 25.202 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -20.979 15.878 24.278 1.00 0.00 H new ATOM 1874 N MET A 124 -16.370 17.213 22.163 1.00 0.00 N ATOM 1875 CA MET A 124 -15.497 17.253 21.031 1.00 0.00 C ATOM 1876 C MET A 124 -14.077 17.126 21.466 1.00 0.00 C ATOM 1877 O MET A 124 -13.292 16.312 20.983 1.00 0.00 O ATOM 1878 CB MET A 124 -15.721 18.547 20.231 1.00 0.00 C ATOM 1879 CG MET A 124 -17.021 18.429 19.433 1.00 0.00 C ATOM 1880 SD MET A 124 -17.456 19.846 18.380 1.00 0.00 S ATOM 1881 CE MET A 124 -16.261 19.409 17.084 1.00 0.00 C ATOM 0 H MET A 124 -16.854 18.109 22.223 1.00 0.00 H new ATOM 0 HA MET A 124 -15.725 16.410 20.379 1.00 0.00 H new ATOM 0 HB2 MET A 124 -15.771 19.401 20.906 1.00 0.00 H new ATOM 0 HB3 MET A 124 -14.882 18.722 19.558 1.00 0.00 H new ATOM 0 HG2 MET A 124 -16.955 17.542 18.802 1.00 0.00 H new ATOM 0 HG3 MET A 124 -17.838 18.261 20.134 1.00 0.00 H new ATOM 0 HE1 MET A 124 -15.569 20.238 16.933 1.00 0.00 H new ATOM 0 HE2 MET A 124 -15.704 18.522 17.387 1.00 0.00 H new ATOM 0 HE3 MET A 124 -16.791 19.205 16.154 1.00 0.00 H new ATOM 1891 N ILE A 125 -13.662 17.889 22.493 1.00 0.00 N ATOM 1892 CA ILE A 125 -12.319 18.001 22.969 1.00 0.00 C ATOM 1893 C ILE A 125 -12.050 16.772 23.768 1.00 0.00 C ATOM 1894 O ILE A 125 -11.013 16.121 23.651 1.00 0.00 O ATOM 1895 CB ILE A 125 -12.230 19.203 23.862 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -12.508 20.428 22.975 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -10.963 19.335 24.724 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -11.326 20.987 22.183 1.00 0.00 C ATOM 0 H ILE A 125 -14.311 18.467 23.027 1.00 0.00 H new ATOM 0 HA ILE A 125 -11.604 18.105 22.153 1.00 0.00 H new ATOM 0 HB ILE A 125 -12.979 19.099 24.647 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -13.296 20.165 22.269 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -12.900 21.224 23.608 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.023 20.244 25.322 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.880 18.471 25.384 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.087 19.383 24.078 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -11.653 21.847 21.599 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -10.539 21.294 22.872 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -10.941 20.219 21.512 1.00 0.00 H new ATOM 1910 N ARG A 126 -13.053 16.305 24.533 1.00 0.00 N ATOM 1911 CA ARG A 126 -12.944 15.117 25.320 1.00 0.00 C ATOM 1912 C ARG A 126 -12.840 13.838 24.562 1.00 0.00 C ATOM 1913 O ARG A 126 -12.150 12.872 24.884 1.00 0.00 O ATOM 1914 CB ARG A 126 -14.017 14.942 26.408 1.00 0.00 C ATOM 1915 CG ARG A 126 -13.476 14.205 27.635 1.00 0.00 C ATOM 1916 CD ARG A 126 -14.507 13.699 28.646 1.00 0.00 C ATOM 1917 NE ARG A 126 -15.526 14.764 28.862 1.00 0.00 N ATOM 1918 CZ ARG A 126 -16.777 14.723 28.317 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -17.383 13.585 27.871 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -17.407 15.905 28.053 1.00 0.00 N ATOM 0 H ARG A 126 -13.961 16.764 24.606 1.00 0.00 H new ATOM 0 HA ARG A 126 -11.984 15.309 25.800 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -14.391 15.921 26.709 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -14.863 14.390 25.998 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -12.893 13.352 27.289 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -12.788 14.871 28.156 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -14.983 12.790 28.278 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -14.020 13.445 29.588 1.00 0.00 H new ATOM 0 HE ARG A 126 -15.277 15.563 29.445 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -16.897 12.690 27.934 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -18.322 13.629 27.474 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -16.942 16.788 28.263 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -18.342 15.905 27.646 1.00 0.00 H new ATOM 1934 N GLU A 127 -13.619 13.753 23.469 1.00 0.00 N ATOM 1935 CA GLU A 127 -13.534 12.726 22.477 1.00 0.00 C ATOM 1936 C GLU A 127 -12.279 12.669 21.676 1.00 0.00 C ATOM 1937 O GLU A 127 -11.799 11.644 21.195 1.00 0.00 O ATOM 1938 CB GLU A 127 -14.769 12.702 21.561 1.00 0.00 C ATOM 1939 CG GLU A 127 -14.841 11.533 20.577 1.00 0.00 C ATOM 1940 CD GLU A 127 -16.255 11.111 20.204 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -16.789 11.935 19.415 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -16.786 10.067 20.668 1.00 0.00 O ATOM 0 H GLU A 127 -14.347 14.438 23.267 1.00 0.00 H new ATOM 0 HA GLU A 127 -13.506 11.817 23.079 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -15.662 12.683 22.186 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -14.797 13.633 20.994 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -14.305 11.806 19.668 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -14.322 10.678 21.009 1.00 0.00 H new ATOM 1949 N ALA A 128 -11.621 13.810 21.406 1.00 0.00 N ATOM 1950 CA ALA A 128 -10.343 13.917 20.773 1.00 0.00 C ATOM 1951 C ALA A 128 -9.198 13.689 21.698 1.00 0.00 C ATOM 1952 O ALA A 128 -8.260 13.014 21.276 1.00 0.00 O ATOM 1953 CB ALA A 128 -10.233 15.268 20.047 1.00 0.00 C ATOM 0 H ALA A 128 -12.010 14.721 21.647 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.277 13.112 20.041 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -9.258 15.344 19.567 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -11.016 15.340 19.292 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.347 16.078 20.767 1.00 0.00 H new ATOM 1959 N ASP A 129 -9.108 14.313 22.886 1.00 0.00 N ATOM 1960 CA ASP A 129 -8.056 14.240 23.851 1.00 0.00 C ATOM 1961 C ASP A 129 -7.731 12.823 24.177 1.00 0.00 C ATOM 1962 O ASP A 129 -8.505 12.070 24.766 1.00 0.00 O ATOM 1963 CB ASP A 129 -8.291 15.085 25.115 1.00 0.00 C ATOM 1964 CG ASP A 129 -7.056 14.897 25.984 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -5.867 15.124 25.633 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -7.298 14.353 27.094 1.00 0.00 O ATOM 0 H ASP A 129 -9.853 14.934 23.201 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.186 14.695 23.377 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.432 16.135 24.861 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.190 14.760 25.639 1.00 0.00 H new ATOM 1971 N ILE A 130 -6.488 12.463 23.812 1.00 0.00 N ATOM 1972 CA ILE A 130 -5.902 11.219 24.208 1.00 0.00 C ATOM 1973 C ILE A 130 -5.082 11.446 25.431 1.00 0.00 C ATOM 1974 O ILE A 130 -5.459 10.891 26.462 1.00 0.00 O ATOM 1975 CB ILE A 130 -5.221 10.517 23.071 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -6.279 10.165 22.012 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.521 9.222 23.517 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -5.848 9.787 20.595 1.00 0.00 C ATOM 0 H ILE A 130 -5.880 13.043 23.234 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.674 10.501 24.486 1.00 0.00 H new ATOM 0 HB ILE A 130 -4.459 11.186 22.672 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -6.866 9.335 22.404 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -6.951 11.019 21.929 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -4.043 8.752 22.657 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.767 9.456 24.268 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -5.256 8.539 23.942 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -6.730 9.572 19.992 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -5.296 10.615 20.150 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -5.210 8.904 20.632 1.00 0.00 H new ATOM 1990 N ASP A 131 -3.925 12.128 25.368 1.00 0.00 N ATOM 1991 CA ASP A 131 -2.953 12.226 26.413 1.00 0.00 C ATOM 1992 C ASP A 131 -3.188 13.010 27.658 1.00 0.00 C ATOM 1993 O ASP A 131 -2.299 13.355 28.435 1.00 0.00 O ATOM 1994 CB ASP A 131 -1.536 12.411 25.845 1.00 0.00 C ATOM 1995 CG ASP A 131 -1.263 13.804 25.294 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -2.154 14.694 25.323 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -0.078 13.952 24.893 1.00 0.00 O ATOM 0 H ASP A 131 -3.651 12.645 24.532 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.096 11.243 26.862 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.811 12.194 26.629 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -1.376 11.681 25.052 1.00 0.00 H new ATOM 2002 N GLY A 132 -4.476 13.261 27.951 1.00 0.00 N ATOM 2003 CA GLY A 132 -4.836 13.529 29.309 1.00 0.00 C ATOM 2004 C GLY A 132 -4.984 14.951 29.729 1.00 0.00 C ATOM 2005 O GLY A 132 -5.543 15.338 30.754 1.00 0.00 O ATOM 0 H GLY A 132 -5.242 13.279 27.278 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.780 13.022 29.510 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.084 13.069 29.950 1.00 0.00 H new ATOM 2009 N ASP A 133 -4.371 15.830 28.918 1.00 0.00 N ATOM 2010 CA ASP A 133 -4.212 17.222 29.205 1.00 0.00 C ATOM 2011 C ASP A 133 -5.419 18.059 28.954 1.00 0.00 C ATOM 2012 O ASP A 133 -5.444 19.230 29.332 1.00 0.00 O ATOM 2013 CB ASP A 133 -2.965 17.725 28.459 1.00 0.00 C ATOM 2014 CG ASP A 133 -3.074 17.901 26.952 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -4.020 17.282 26.394 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -2.223 18.639 26.387 1.00 0.00 O ATOM 0 H ASP A 133 -3.968 15.559 28.021 1.00 0.00 H new ATOM 0 HA ASP A 133 -4.073 17.328 30.281 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -2.679 18.684 28.890 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -2.150 17.030 28.659 1.00 0.00 H new ATOM 2021 N GLY A 134 -6.344 17.463 28.181 1.00 0.00 N ATOM 2022 CA GLY A 134 -7.639 17.994 27.890 1.00 0.00 C ATOM 2023 C GLY A 134 -7.552 19.050 26.842 1.00 0.00 C ATOM 2024 O GLY A 134 -8.424 19.855 26.516 1.00 0.00 O ATOM 0 H GLY A 134 -6.179 16.561 27.735 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -8.298 17.194 27.553 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.079 18.410 28.796 1.00 0.00 H new ATOM 2028 N GLN A 135 -6.452 18.992 26.071 1.00 0.00 N ATOM 2029 CA GLN A 135 -6.246 19.704 24.848 1.00 0.00 C ATOM 2030 C GLN A 135 -6.027 18.774 23.704 1.00 0.00 C ATOM 2031 O GLN A 135 -5.614 17.624 23.843 1.00 0.00 O ATOM 2032 CB GLN A 135 -4.959 20.528 25.023 1.00 0.00 C ATOM 2033 CG GLN A 135 -4.937 21.290 26.349 1.00 0.00 C ATOM 2034 CD GLN A 135 -3.651 22.067 26.588 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -3.735 23.294 26.628 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -2.437 21.505 26.836 1.00 0.00 N ATOM 0 H GLN A 135 -5.653 18.408 26.319 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.123 20.316 24.638 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -4.095 19.865 24.973 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -4.867 21.235 24.198 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -5.779 21.982 26.374 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -5.081 20.583 27.166 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -2.330 20.491 26.812 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -1.634 22.098 27.046 1.00 0.00 H new ATOM 2045 N VAL A 136 -6.411 19.150 22.471 1.00 0.00 N ATOM 2046 CA VAL A 136 -6.352 18.286 21.333 1.00 0.00 C ATOM 2047 C VAL A 136 -5.181 18.603 20.467 1.00 0.00 C ATOM 2048 O VAL A 136 -5.061 19.744 20.025 1.00 0.00 O ATOM 2049 CB VAL A 136 -7.525 18.501 20.425 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -7.676 17.605 19.183 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -8.728 18.213 21.339 1.00 0.00 C ATOM 0 H VAL A 136 -6.772 20.080 22.260 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.312 17.277 21.744 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.418 19.497 19.996 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -8.574 17.891 18.635 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.805 17.726 18.539 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.756 16.563 19.493 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -9.652 18.341 20.775 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.667 17.190 21.709 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.719 18.904 22.182 1.00 0.00 H new ATOM 2061 N ASN A 137 -4.151 17.747 20.346 1.00 0.00 N ATOM 2062 CA ASN A 137 -3.098 17.822 19.382 1.00 0.00 C ATOM 2063 C ASN A 137 -3.521 17.314 18.048 1.00 0.00 C ATOM 2064 O ASN A 137 -4.648 16.893 17.791 1.00 0.00 O ATOM 2065 CB ASN A 137 -1.691 17.401 19.840 1.00 0.00 C ATOM 2066 CG ASN A 137 -1.417 15.905 19.791 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -1.680 15.213 18.808 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -0.928 15.293 20.903 1.00 0.00 N ATOM 0 H ASN A 137 -4.048 16.945 20.968 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.928 18.892 19.260 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.956 17.910 19.217 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.539 17.749 20.862 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.787 14.283 20.909 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.702 15.844 21.731 1.00 0.00 H new ATOM 2075 N TYR A 138 -2.610 17.437 17.066 1.00 0.00 N ATOM 2076 CA TYR A 138 -2.784 17.023 15.708 1.00 0.00 C ATOM 2077 C TYR A 138 -3.218 15.613 15.498 1.00 0.00 C ATOM 2078 O TYR A 138 -4.124 15.382 14.699 1.00 0.00 O ATOM 2079 CB TYR A 138 -1.550 17.443 14.893 1.00 0.00 C ATOM 2080 CG TYR A 138 -1.848 17.362 13.435 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -2.656 18.257 12.775 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -1.506 16.197 12.789 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -3.137 17.978 11.517 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -1.897 15.909 11.502 1.00 0.00 C ATOM 2085 CZ TYR A 138 -2.755 16.805 10.910 1.00 0.00 C ATOM 2086 OH TYR A 138 -3.119 16.524 9.576 1.00 0.00 O ATOM 0 H TYR A 138 -1.693 17.852 17.232 1.00 0.00 H new ATOM 0 HA TYR A 138 -3.657 17.552 15.324 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -1.259 18.460 15.157 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -0.707 16.797 15.136 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.916 19.191 13.250 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.902 15.474 13.317 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.801 18.667 11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.549 15.027 10.985 1.00 0.00 H new ATOM 0 HH TYR A 138 -2.759 15.650 9.316 1.00 0.00 H new ATOM 2096 N GLU A 139 -2.580 14.638 16.170 1.00 0.00 N ATOM 2097 CA GLU A 139 -2.920 13.256 16.027 1.00 0.00 C ATOM 2098 C GLU A 139 -4.196 12.970 16.741 1.00 0.00 C ATOM 2099 O GLU A 139 -4.987 12.136 16.300 1.00 0.00 O ATOM 2100 CB GLU A 139 -1.784 12.377 16.576 1.00 0.00 C ATOM 2101 CG GLU A 139 -0.496 12.353 15.750 1.00 0.00 C ATOM 2102 CD GLU A 139 0.526 11.339 16.245 1.00 0.00 C ATOM 2103 OE1 GLU A 139 0.957 11.344 17.429 1.00 0.00 O ATOM 2104 OE2 GLU A 139 0.929 10.484 15.413 1.00 0.00 O ATOM 0 H GLU A 139 -1.816 14.812 16.823 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.056 13.027 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.541 12.719 17.582 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.153 11.355 16.667 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.744 12.130 14.712 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.047 13.346 15.764 1.00 0.00 H new ATOM 2111 N GLU A 140 -4.394 13.664 17.875 1.00 0.00 N ATOM 2112 CA GLU A 140 -5.658 13.581 18.540 1.00 0.00 C ATOM 2113 C GLU A 140 -6.810 14.096 17.749 1.00 0.00 C ATOM 2114 O GLU A 140 -7.877 13.497 17.622 1.00 0.00 O ATOM 2115 CB GLU A 140 -5.493 14.375 19.847 1.00 0.00 C ATOM 2116 CG GLU A 140 -4.385 13.784 20.722 1.00 0.00 C ATOM 2117 CD GLU A 140 -4.236 14.552 22.028 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -3.995 15.789 22.057 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -4.264 13.931 23.124 1.00 0.00 O ATOM 0 H GLU A 140 -3.702 14.266 18.322 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.906 12.533 18.707 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.261 15.415 19.616 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.434 14.373 20.397 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.608 12.739 20.937 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.441 13.803 20.178 1.00 0.00 H new ATOM 2126 N PHE A 141 -6.668 15.246 17.066 1.00 0.00 N ATOM 2127 CA PHE A 141 -7.509 15.761 16.031 1.00 0.00 C ATOM 2128 C PHE A 141 -7.650 14.872 14.843 1.00 0.00 C ATOM 2129 O PHE A 141 -8.761 14.525 14.446 1.00 0.00 O ATOM 2130 CB PHE A 141 -6.911 17.124 15.642 1.00 0.00 C ATOM 2131 CG PHE A 141 -7.652 17.976 14.670 1.00 0.00 C ATOM 2132 CD1 PHE A 141 -8.762 18.611 15.174 1.00 0.00 C ATOM 2133 CD2 PHE A 141 -7.414 18.052 13.318 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -9.483 19.431 14.337 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -8.137 18.830 12.444 1.00 0.00 C ATOM 2136 CZ PHE A 141 -9.262 19.410 12.980 1.00 0.00 C ATOM 0 H PHE A 141 -5.888 15.874 17.259 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.529 15.843 16.408 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -6.781 17.702 16.557 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.916 16.945 15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.061 18.470 16.202 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.605 17.461 12.915 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -10.228 20.096 14.749 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.843 18.974 11.415 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.989 19.860 12.320 1.00 0.00 H new ATOM 2146 N VAL A 142 -6.582 14.383 14.188 1.00 0.00 N ATOM 2147 CA VAL A 142 -6.679 13.638 12.971 1.00 0.00 C ATOM 2148 C VAL A 142 -7.384 12.341 13.175 1.00 0.00 C ATOM 2149 O VAL A 142 -8.041 11.871 12.247 1.00 0.00 O ATOM 2150 CB VAL A 142 -5.338 13.507 12.313 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -4.594 12.176 12.515 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -5.374 13.699 10.787 1.00 0.00 C ATOM 0 H VAL A 142 -5.624 14.509 14.514 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.302 14.195 12.271 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.807 14.307 12.829 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.640 12.209 11.990 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.417 12.016 13.579 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -5.197 11.358 12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.368 13.590 10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.028 12.949 10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.752 14.694 10.554 1.00 0.00 H new ATOM 2162 N GLN A 143 -7.426 11.755 14.385 1.00 0.00 N ATOM 2163 CA GLN A 143 -8.253 10.632 14.700 1.00 0.00 C ATOM 2164 C GLN A 143 -9.680 11.019 14.885 1.00 0.00 C ATOM 2165 O GLN A 143 -10.578 10.239 14.573 1.00 0.00 O ATOM 2166 CB GLN A 143 -7.462 9.879 15.784 1.00 0.00 C ATOM 2167 CG GLN A 143 -8.243 8.730 16.424 1.00 0.00 C ATOM 2168 CD GLN A 143 -7.249 7.800 17.105 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -6.048 7.721 16.851 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -7.712 7.133 18.195 1.00 0.00 N ATOM 0 H GLN A 143 -6.863 12.075 15.173 1.00 0.00 H new ATOM 0 HA GLN A 143 -8.429 9.906 13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -6.546 9.484 15.345 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -7.166 10.583 16.561 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.961 9.115 17.148 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -8.812 8.190 15.668 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.702 7.176 18.436 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.069 6.590 18.772 1.00 0.00 H new ATOM 2179 N MET A 144 -10.003 12.228 15.378 1.00 0.00 N ATOM 2180 CA MET A 144 -11.369 12.620 15.531 1.00 0.00 C ATOM 2181 C MET A 144 -11.991 12.805 14.189 1.00 0.00 C ATOM 2182 O MET A 144 -13.090 12.311 13.940 1.00 0.00 O ATOM 2183 CB MET A 144 -11.554 13.882 16.391 1.00 0.00 C ATOM 2184 CG MET A 144 -12.915 14.558 16.221 1.00 0.00 C ATOM 2185 SD MET A 144 -13.370 15.808 17.461 1.00 0.00 S ATOM 2186 CE MET A 144 -12.295 17.150 16.876 1.00 0.00 C ATOM 0 H MET A 144 -9.323 12.930 15.669 1.00 0.00 H new ATOM 0 HA MET A 144 -11.871 11.816 16.069 1.00 0.00 H new ATOM 0 HB2 MET A 144 -11.420 13.617 17.440 1.00 0.00 H new ATOM 0 HB3 MET A 144 -10.771 14.598 16.141 1.00 0.00 H new ATOM 0 HG2 MET A 144 -12.940 15.029 15.238 1.00 0.00 H new ATOM 0 HG3 MET A 144 -13.682 13.783 16.222 1.00 0.00 H new ATOM 0 HE1 MET A 144 -11.712 17.540 17.711 1.00 0.00 H new ATOM 0 HE2 MET A 144 -11.621 16.768 16.110 1.00 0.00 H new ATOM 0 HE3 MET A 144 -12.906 17.949 16.456 1.00 0.00 H new ATOM 2196 N MET A 145 -11.350 13.423 13.181 1.00 0.00 N ATOM 2197 CA MET A 145 -11.986 13.694 11.929 1.00 0.00 C ATOM 2198 C MET A 145 -11.894 12.521 11.015 1.00 0.00 C ATOM 2199 O MET A 145 -12.798 12.315 10.207 1.00 0.00 O ATOM 2200 CB MET A 145 -11.312 14.971 11.399 1.00 0.00 C ATOM 2201 CG MET A 145 -11.769 16.088 12.339 1.00 0.00 C ATOM 2202 SD MET A 145 -11.931 17.694 11.502 1.00 0.00 S ATOM 2203 CE MET A 145 -12.512 18.502 13.021 1.00 0.00 C ATOM 0 H MET A 145 -10.381 13.738 13.235 1.00 0.00 H new ATOM 0 HA MET A 145 -13.059 13.861 12.023 1.00 0.00 H new ATOM 0 HB2 MET A 145 -10.226 14.873 11.403 1.00 0.00 H new ATOM 0 HB3 MET A 145 -11.610 15.176 10.371 1.00 0.00 H new ATOM 0 HG2 MET A 145 -12.728 15.815 12.780 1.00 0.00 H new ATOM 0 HG3 MET A 145 -11.056 16.181 13.158 1.00 0.00 H new ATOM 0 HE1 MET A 145 -12.243 19.558 12.997 1.00 0.00 H new ATOM 0 HE2 MET A 145 -13.595 18.405 13.093 1.00 0.00 H new ATOM 0 HE3 MET A 145 -12.047 18.029 13.886 1.00 0.00 H new