USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 109 GLN : amide:sc= 0.0143 X(o=0.014,f=0) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= -4.73 K(o=-4.7,f=-9.6!) USER MOD Set 2.2: A 52 THR OG1 : rot -52:sc= 0.0514 USER MOD Set 3.1: A 41 SER OG : rot -70:sc= 0.367 USER MOD Set 3.2: A 75 SER OG : rot 180:sc= -0.249 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 55 THR OG1 : rot 137:sc= 0.327 USER MOD Single : A 56 ASN : amide:sc= -0.567 K(o=-0.57,f=-4.8!) USER MOD Single : A 58 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.2) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 41:sc= 0.179 USER MOD Single : A 72 THR OG1 : rot 39:sc= 0.373 USER MOD Single : A 78 MET CE :methyl 149:sc= 0 (180deg=-1.28) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 120:sc= -0.126 USER MOD Single : A 101 CYS SG : rot 22:sc= 0.022 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 105 ASN : amide:sc= -0.704 K(o=-0.7,f=-1.8) USER MOD Single : A 108 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.8) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 34 86.385 18.495 -4.547 1.00 0.00 N ATOM 85 CA PRO A 34 85.484 17.528 -5.253 1.00 0.00 C ATOM 86 C PRO A 34 86.191 16.891 -6.459 1.00 0.00 C ATOM 87 O PRO A 34 86.630 17.582 -7.360 1.00 0.00 O ATOM 88 CB PRO A 34 84.323 18.413 -5.720 1.00 0.00 C ATOM 89 CG PRO A 34 84.369 19.579 -4.794 1.00 0.00 C ATOM 90 CD PRO A 34 85.828 19.861 -4.611 1.00 0.00 C ATOM 0 HA PRO A 34 85.172 16.699 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.448 18.722 -6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.370 17.889 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.849 20.440 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.888 19.349 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 86.242 20.435 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 34 86.025 20.428 -3.701 1.00 0.00 H new ATOM 98 N PHE A 35 86.303 15.581 -6.472 1.00 0.00 N ATOM 99 CA PHE A 35 86.663 14.850 -7.731 1.00 0.00 C ATOM 100 C PHE A 35 86.213 13.382 -7.641 1.00 0.00 C ATOM 101 O PHE A 35 86.991 12.466 -7.845 1.00 0.00 O ATOM 102 CB PHE A 35 88.191 14.969 -7.871 1.00 0.00 C ATOM 103 CG PHE A 35 88.976 14.491 -6.667 1.00 0.00 C ATOM 104 CD1 PHE A 35 89.262 15.400 -5.605 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.433 13.137 -6.593 1.00 0.00 C ATOM 106 CE1 PHE A 35 90.004 14.957 -4.464 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.175 12.696 -5.454 1.00 0.00 C ATOM 108 CZ PHE A 35 90.460 13.606 -4.390 1.00 0.00 C ATOM 0 H PHE A 35 86.159 14.984 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 35 86.165 15.272 -8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.508 14.398 -8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.445 16.012 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.919 16.422 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.217 12.449 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.219 15.644 -3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.520 11.674 -5.397 1.00 0.00 H new ATOM 0 HZ PHE A 35 91.021 13.272 -3.529 1.00 0.00 H new ATOM 118 N LEU A 36 84.951 13.164 -7.342 1.00 0.00 N ATOM 119 CA LEU A 36 84.414 11.775 -7.209 1.00 0.00 C ATOM 120 C LEU A 36 82.894 11.782 -7.394 1.00 0.00 C ATOM 121 O LEU A 36 82.173 12.343 -6.589 1.00 0.00 O ATOM 122 CB LEU A 36 84.783 11.347 -5.787 1.00 0.00 C ATOM 123 CG LEU A 36 84.474 9.859 -5.598 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.490 9.020 -6.376 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.557 9.509 -4.111 1.00 0.00 C ATOM 0 H LEU A 36 84.265 13.902 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 36 84.822 11.095 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.841 11.535 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.224 11.939 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 36 83.471 9.647 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.268 7.962 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.433 9.270 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.494 9.230 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.337 8.450 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.560 9.722 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.832 10.105 -3.556 1.00 0.00 H new ATOM 137 N LYS A 37 82.415 11.164 -8.451 1.00 0.00 N ATOM 138 CA LYS A 37 80.944 11.127 -8.720 1.00 0.00 C ATOM 139 C LYS A 37 80.357 9.786 -8.268 1.00 0.00 C ATOM 140 O LYS A 37 80.896 8.738 -8.576 1.00 0.00 O ATOM 141 CB LYS A 37 80.820 11.279 -10.237 1.00 0.00 C ATOM 142 CG LYS A 37 79.366 11.577 -10.607 1.00 0.00 C ATOM 143 CD LYS A 37 79.248 11.737 -12.124 1.00 0.00 C ATOM 144 CE LYS A 37 77.859 12.270 -12.478 1.00 0.00 C ATOM 145 NZ LYS A 37 78.045 13.006 -13.760 1.00 0.00 N ATOM 0 H LYS A 37 82.988 10.680 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 37 80.405 11.907 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.467 12.084 -10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.152 10.366 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.720 10.769 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.032 12.486 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 37 80.015 12.421 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.417 10.779 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 37 77.141 11.458 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.477 12.928 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 77.134 13.402 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.729 13.777 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.402 12.353 -14.486 1.00 0.00 H new ATOM 159 N CYS A 38 79.262 9.820 -7.542 1.00 0.00 N ATOM 160 CA CYS A 38 78.651 8.557 -7.008 1.00 0.00 C ATOM 161 C CYS A 38 77.247 8.370 -7.591 1.00 0.00 C ATOM 162 O CYS A 38 76.505 9.326 -7.733 1.00 0.00 O ATOM 163 CB CYS A 38 78.552 8.739 -5.485 1.00 0.00 C ATOM 164 SG CYS A 38 80.190 8.995 -4.744 1.00 0.00 S ATOM 0 H CYS A 38 78.762 10.674 -7.295 1.00 0.00 H new ATOM 0 HA CYS A 38 79.249 7.685 -7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.911 9.591 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.083 7.861 -5.041 1.00 0.00 H new ATOM 169 N TYR A 39 76.891 7.152 -7.931 1.00 0.00 N ATOM 170 CA TYR A 39 75.502 6.867 -8.422 1.00 0.00 C ATOM 171 C TYR A 39 74.561 6.653 -7.232 1.00 0.00 C ATOM 172 O TYR A 39 74.948 6.070 -6.233 1.00 0.00 O ATOM 173 CB TYR A 39 75.618 5.587 -9.254 1.00 0.00 C ATOM 174 CG TYR A 39 74.327 5.173 -9.919 1.00 0.00 C ATOM 175 CD1 TYR A 39 74.009 5.658 -11.226 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.422 4.302 -9.240 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.785 5.270 -11.853 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.197 3.914 -9.867 1.00 0.00 C ATOM 179 CZ TYR A 39 71.879 4.398 -11.175 1.00 0.00 C ATOM 180 OH TYR A 39 70.697 4.023 -11.779 1.00 0.00 O ATOM 0 H TYR A 39 77.506 6.339 -7.889 1.00 0.00 H new ATOM 0 HA TYR A 39 75.096 7.691 -9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.380 5.730 -10.020 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.961 4.776 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.694 6.317 -11.739 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.663 3.936 -8.253 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.545 5.636 -12.840 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.512 3.256 -9.353 1.00 0.00 H new ATOM 0 HH TYR A 39 70.199 3.427 -11.181 1.00 0.00 H new ATOM 190 N CYS A 40 73.335 7.118 -7.338 1.00 0.00 N ATOM 191 CA CYS A 40 72.370 7.010 -6.194 1.00 0.00 C ATOM 192 C CYS A 40 71.197 6.088 -6.558 1.00 0.00 C ATOM 193 O CYS A 40 70.683 6.140 -7.661 1.00 0.00 O ATOM 194 CB CYS A 40 71.891 8.448 -5.902 1.00 0.00 C ATOM 195 SG CYS A 40 71.047 9.188 -7.335 1.00 0.00 S ATOM 0 H CYS A 40 72.961 7.570 -8.172 1.00 0.00 H new ATOM 0 HA CYS A 40 72.839 6.572 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.214 8.439 -5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.745 9.066 -5.625 1.00 0.00 H new ATOM 200 N SER A 41 70.786 5.249 -5.633 1.00 0.00 N ATOM 201 CA SER A 41 69.596 4.373 -5.862 1.00 0.00 C ATOM 202 C SER A 41 68.551 4.614 -4.770 1.00 0.00 C ATOM 203 O SER A 41 68.890 4.801 -3.614 1.00 0.00 O ATOM 204 CB SER A 41 70.134 2.944 -5.780 1.00 0.00 C ATOM 205 OG SER A 41 70.611 2.695 -4.465 1.00 0.00 O ATOM 0 H SER A 41 71.230 5.135 -4.722 1.00 0.00 H new ATOM 0 HA SER A 41 69.113 4.572 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.348 2.233 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.938 2.804 -6.503 1.00 0.00 H new ATOM 0 HG SER A 41 71.428 3.214 -4.310 1.00 0.00 H new ATOM 211 N GLY A 42 67.287 4.613 -5.135 1.00 0.00 N ATOM 212 CA GLY A 42 66.198 4.833 -4.134 1.00 0.00 C ATOM 213 C GLY A 42 66.170 6.306 -3.719 1.00 0.00 C ATOM 214 O GLY A 42 65.237 7.023 -4.038 1.00 0.00 O ATOM 0 H GLY A 42 66.965 4.468 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.236 4.547 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.361 4.202 -3.260 1.00 0.00 H new ATOM 218 N HIS A 43 67.186 6.754 -3.015 1.00 0.00 N ATOM 219 CA HIS A 43 67.208 8.159 -2.501 1.00 0.00 C ATOM 220 C HIS A 43 68.312 8.968 -3.187 1.00 0.00 C ATOM 221 O HIS A 43 69.468 8.584 -3.175 1.00 0.00 O ATOM 222 CB HIS A 43 67.496 8.025 -1.006 1.00 0.00 C ATOM 223 CG HIS A 43 67.429 9.331 -0.261 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.242 10.023 -0.090 1.00 0.00 N ATOM 225 CD2 HIS A 43 68.395 10.083 0.362 1.00 0.00 C ATOM 226 CE1 HIS A 43 66.519 11.138 0.609 1.00 0.00 C ATOM 227 NE2 HIS A 43 67.818 11.224 0.911 1.00 0.00 N ATOM 0 H HIS A 43 68.007 6.199 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 43 66.271 8.681 -2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 43 66.781 7.329 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 43 68.487 7.590 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 43 69.443 9.828 0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 43 65.781 11.874 0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 43 68.286 11.966 1.432 1.00 0.00 H new ATOM 235 N CYS A 44 67.952 10.083 -3.785 1.00 0.00 N ATOM 236 CA CYS A 44 68.968 10.999 -4.394 1.00 0.00 C ATOM 237 C CYS A 44 68.598 12.459 -4.065 1.00 0.00 C ATOM 238 O CYS A 44 67.437 12.810 -4.158 1.00 0.00 O ATOM 239 CB CYS A 44 68.870 10.738 -5.905 1.00 0.00 C ATOM 240 SG CYS A 44 70.477 11.019 -6.694 1.00 0.00 S ATOM 0 H CYS A 44 66.986 10.398 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 44 69.978 10.829 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.543 9.714 -6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.120 11.394 -6.347 1.00 0.00 H new ATOM 245 N PRO A 45 69.577 13.278 -3.689 1.00 0.00 N ATOM 246 CA PRO A 45 69.265 14.650 -3.175 1.00 0.00 C ATOM 247 C PRO A 45 68.524 15.483 -4.234 1.00 0.00 C ATOM 248 O PRO A 45 68.687 15.274 -5.422 1.00 0.00 O ATOM 249 CB PRO A 45 70.637 15.257 -2.856 1.00 0.00 C ATOM 250 CG PRO A 45 71.630 14.410 -3.583 1.00 0.00 C ATOM 251 CD PRO A 45 71.032 13.035 -3.700 1.00 0.00 C ATOM 0 HA PRO A 45 68.609 14.627 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.692 16.295 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.828 15.251 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.842 14.824 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.576 14.375 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.347 12.539 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.336 12.395 -2.872 1.00 0.00 H new ATOM 259 N ASP A 46 67.717 16.428 -3.797 1.00 0.00 N ATOM 260 CA ASP A 46 66.823 17.187 -4.742 1.00 0.00 C ATOM 261 C ASP A 46 67.638 17.932 -5.809 1.00 0.00 C ATOM 262 O ASP A 46 67.161 18.158 -6.907 1.00 0.00 O ATOM 263 CB ASP A 46 66.053 18.190 -3.876 1.00 0.00 C ATOM 264 CG ASP A 46 65.119 17.435 -2.928 1.00 0.00 C ATOM 265 OD1 ASP A 46 63.987 17.190 -3.314 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.550 17.115 -1.834 1.00 0.00 O ATOM 0 H ASP A 46 67.638 16.708 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 46 66.158 16.507 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.750 18.803 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.478 18.866 -4.508 1.00 0.00 H new ATOM 271 N ASP A 47 68.857 18.311 -5.490 1.00 0.00 N ATOM 272 CA ASP A 47 69.701 19.087 -6.459 1.00 0.00 C ATOM 273 C ASP A 47 70.578 18.160 -7.322 1.00 0.00 C ATOM 274 O ASP A 47 71.501 18.623 -7.972 1.00 0.00 O ATOM 275 CB ASP A 47 70.563 20.029 -5.597 1.00 0.00 C ATOM 276 CG ASP A 47 71.474 19.241 -4.645 1.00 0.00 C ATOM 277 OD1 ASP A 47 72.314 18.503 -5.134 1.00 0.00 O ATOM 278 OD2 ASP A 47 71.313 19.389 -3.445 1.00 0.00 O ATOM 0 H ASP A 47 69.305 18.115 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 47 69.082 19.642 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.171 20.662 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.916 20.690 -5.020 1.00 0.00 H new ATOM 283 N ALA A 48 70.301 16.870 -7.337 1.00 0.00 N ATOM 284 CA ALA A 48 71.210 15.901 -8.029 1.00 0.00 C ATOM 285 C ALA A 48 70.968 15.929 -9.540 1.00 0.00 C ATOM 286 O ALA A 48 69.943 16.402 -9.998 1.00 0.00 O ATOM 287 CB ALA A 48 70.865 14.521 -7.457 1.00 0.00 C ATOM 0 H ALA A 48 69.482 16.451 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 48 72.259 16.150 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.497 13.765 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 48 71.034 14.521 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.818 14.294 -7.660 1.00 0.00 H new ATOM 293 N ILE A 49 71.907 15.423 -10.307 1.00 0.00 N ATOM 294 CA ILE A 49 71.781 15.443 -11.801 1.00 0.00 C ATOM 295 C ILE A 49 71.948 14.015 -12.334 1.00 0.00 C ATOM 296 O ILE A 49 72.795 13.283 -11.867 1.00 0.00 O ATOM 297 CB ILE A 49 72.906 16.369 -12.308 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.741 17.778 -11.718 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.857 16.474 -13.838 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.026 18.579 -11.937 1.00 0.00 C ATOM 0 H ILE A 49 72.763 14.993 -9.958 1.00 0.00 H new ATOM 0 HA ILE A 49 70.810 15.806 -12.138 1.00 0.00 H new ATOM 0 HB ILE A 49 73.860 15.946 -11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.899 18.285 -12.190 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.517 17.714 -10.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.656 17.130 -14.183 1.00 0.00 H new ATOM 0 HG22 ILE A 49 72.986 15.484 -14.275 1.00 0.00 H new ATOM 0 HG23 ILE A 49 71.894 16.883 -14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.908 19.578 -11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.857 18.075 -11.444 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.230 18.655 -13.005 1.00 0.00 H new ATOM 312 N ASN A 50 71.136 13.629 -13.304 1.00 0.00 N ATOM 313 CA ASN A 50 71.154 12.239 -13.899 1.00 0.00 C ATOM 314 C ASN A 50 71.390 11.130 -12.849 1.00 0.00 C ATOM 315 O ASN A 50 72.152 10.206 -13.067 1.00 0.00 O ATOM 316 CB ASN A 50 72.251 12.254 -14.982 1.00 0.00 C ATOM 317 CG ASN A 50 73.644 12.465 -14.380 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.054 13.582 -14.138 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.396 11.427 -14.132 1.00 0.00 N ATOM 0 H ASN A 50 70.437 14.243 -13.722 1.00 0.00 H new ATOM 0 HA ASN A 50 70.179 11.997 -14.323 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.232 11.313 -15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.042 13.047 -15.700 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.327 11.555 -13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.053 10.488 -14.335 1.00 0.00 H new ATOM 326 N ASN A 51 70.730 11.233 -11.709 1.00 0.00 N ATOM 327 CA ASN A 51 70.887 10.231 -10.592 1.00 0.00 C ATOM 328 C ASN A 51 72.361 10.075 -10.179 1.00 0.00 C ATOM 329 O ASN A 51 72.836 8.976 -9.946 1.00 0.00 O ATOM 330 CB ASN A 51 70.317 8.905 -11.126 1.00 0.00 C ATOM 331 CG ASN A 51 68.816 9.056 -11.380 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.338 8.763 -12.457 1.00 0.00 O ATOM 333 ND2 ASN A 51 68.047 9.504 -10.424 1.00 0.00 N ATOM 0 H ASN A 51 70.075 11.987 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 51 70.358 10.558 -9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.826 8.624 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.496 8.105 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 67.045 9.608 -10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.449 9.750 -9.519 1.00 0.00 H new ATOM 340 N THR A 52 73.079 11.174 -10.086 1.00 0.00 N ATOM 341 CA THR A 52 74.480 11.135 -9.554 1.00 0.00 C ATOM 342 C THR A 52 74.751 12.361 -8.678 1.00 0.00 C ATOM 343 O THR A 52 74.057 13.360 -8.770 1.00 0.00 O ATOM 344 CB THR A 52 75.398 11.150 -10.783 1.00 0.00 C ATOM 345 OG1 THR A 52 75.128 12.304 -11.569 1.00 0.00 O ATOM 346 CG2 THR A 52 75.173 9.888 -11.620 1.00 0.00 C ATOM 0 H THR A 52 72.751 12.101 -10.358 1.00 0.00 H new ATOM 0 HA THR A 52 74.648 10.252 -8.938 1.00 0.00 H new ATOM 0 HB THR A 52 76.436 11.175 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.167 12.355 -11.756 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.829 9.907 -12.490 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.395 9.007 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.135 9.850 -11.949 1.00 0.00 H new ATOM 354 N CYS A 53 75.760 12.284 -7.836 1.00 0.00 N ATOM 355 CA CYS A 53 76.113 13.434 -6.944 1.00 0.00 C ATOM 356 C CYS A 53 77.635 13.580 -6.827 1.00 0.00 C ATOM 357 O CYS A 53 78.378 12.681 -7.176 1.00 0.00 O ATOM 358 CB CYS A 53 75.468 13.135 -5.574 1.00 0.00 C ATOM 359 SG CYS A 53 76.052 11.558 -4.880 1.00 0.00 S ATOM 0 H CYS A 53 76.358 11.464 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 53 75.744 14.378 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.697 13.944 -4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.384 13.105 -5.682 1.00 0.00 H new ATOM 364 N ILE A 54 78.087 14.710 -6.333 1.00 0.00 N ATOM 365 CA ILE A 54 79.558 14.993 -6.258 1.00 0.00 C ATOM 366 C ILE A 54 80.001 14.966 -4.788 1.00 0.00 C ATOM 367 O ILE A 54 79.371 15.572 -3.939 1.00 0.00 O ATOM 368 CB ILE A 54 79.730 16.401 -6.869 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.253 16.407 -8.330 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.205 16.825 -6.844 1.00 0.00 C ATOM 371 CD1 ILE A 54 79.085 17.851 -8.809 1.00 0.00 C ATOM 0 H ILE A 54 77.492 15.457 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 54 80.163 14.259 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 54 79.136 17.096 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.973 15.885 -8.960 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.307 15.872 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.305 17.820 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.561 16.842 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.797 16.115 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.747 17.854 -9.845 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.348 18.358 -8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 54 80.040 18.371 -8.738 1.00 0.00 H new ATOM 383 N THR A 55 81.076 14.268 -4.492 1.00 0.00 N ATOM 384 CA THR A 55 81.580 14.193 -3.081 1.00 0.00 C ATOM 385 C THR A 55 83.111 14.290 -3.038 1.00 0.00 C ATOM 386 O THR A 55 83.789 13.896 -3.970 1.00 0.00 O ATOM 387 CB THR A 55 81.093 12.839 -2.537 1.00 0.00 C ATOM 388 OG1 THR A 55 81.537 12.690 -1.196 1.00 0.00 O ATOM 389 CG2 THR A 55 81.627 11.668 -3.379 1.00 0.00 C ATOM 0 H THR A 55 81.628 13.745 -5.172 1.00 0.00 H new ATOM 0 HA THR A 55 81.208 15.021 -2.478 1.00 0.00 H new ATOM 0 HB THR A 55 80.004 12.824 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.808 12.330 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.263 10.727 -2.966 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.280 11.771 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.717 11.675 -3.361 1.00 0.00 H new ATOM 397 N ASN A 56 83.645 14.815 -1.959 1.00 0.00 N ATOM 398 CA ASN A 56 85.116 14.711 -1.697 1.00 0.00 C ATOM 399 C ASN A 56 85.392 13.729 -0.550 1.00 0.00 C ATOM 400 O ASN A 56 86.348 13.888 0.188 1.00 0.00 O ATOM 401 CB ASN A 56 85.583 16.135 -1.336 1.00 0.00 C ATOM 402 CG ASN A 56 84.829 16.692 -0.115 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.153 15.970 0.593 1.00 0.00 O ATOM 404 ND2 ASN A 56 84.919 17.965 0.160 1.00 0.00 N ATOM 0 H ASN A 56 83.119 15.315 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 56 85.654 14.330 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.653 16.125 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.430 16.795 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 84.424 18.349 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 56 85.484 18.575 -0.430 1.00 0.00 H new ATOM 411 N GLY A 57 84.556 12.723 -0.403 1.00 0.00 N ATOM 412 CA GLY A 57 84.783 11.672 0.638 1.00 0.00 C ATOM 413 C GLY A 57 84.796 10.297 -0.030 1.00 0.00 C ATOM 414 O GLY A 57 85.824 9.842 -0.500 1.00 0.00 O ATOM 0 H GLY A 57 83.718 12.587 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.728 11.849 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 57 83.998 11.715 1.393 1.00 0.00 H new ATOM 418 N HIS A 58 83.659 9.639 -0.069 1.00 0.00 N ATOM 419 CA HIS A 58 83.551 8.324 -0.780 1.00 0.00 C ATOM 420 C HIS A 58 82.132 8.156 -1.322 1.00 0.00 C ATOM 421 O HIS A 58 81.255 8.951 -1.030 1.00 0.00 O ATOM 422 CB HIS A 58 83.838 7.240 0.270 1.00 0.00 C ATOM 423 CG HIS A 58 85.118 7.433 1.044 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.288 6.767 0.718 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.423 8.211 2.135 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.233 7.152 1.594 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.760 8.032 2.480 1.00 0.00 N ATOM 0 H HIS A 58 82.794 9.961 0.366 1.00 0.00 H new ATOM 0 HA HIS A 58 84.248 8.260 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 58 83.006 7.206 0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.874 6.271 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 58 84.731 8.863 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.251 6.793 1.582 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.268 8.477 3.244 1.00 0.00 H new ATOM 435 N CYS A 59 81.906 7.130 -2.107 1.00 0.00 N ATOM 436 CA CYS A 59 80.506 6.719 -2.440 1.00 0.00 C ATOM 437 C CYS A 59 80.059 5.668 -1.423 1.00 0.00 C ATOM 438 O CYS A 59 80.835 4.797 -1.066 1.00 0.00 O ATOM 439 CB CYS A 59 80.547 6.102 -3.848 1.00 0.00 C ATOM 440 SG CYS A 59 81.187 7.276 -5.076 1.00 0.00 S ATOM 0 H CYS A 59 82.635 6.557 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 59 79.814 7.560 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.173 5.210 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.545 5.784 -4.136 1.00 0.00 H new ATOM 445 N PHE A 60 78.830 5.740 -0.959 1.00 0.00 N ATOM 446 CA PHE A 60 78.360 4.782 0.093 1.00 0.00 C ATOM 447 C PHE A 60 77.033 4.129 -0.323 1.00 0.00 C ATOM 448 O PHE A 60 76.253 4.713 -1.058 1.00 0.00 O ATOM 449 CB PHE A 60 78.229 5.613 1.390 1.00 0.00 C ATOM 450 CG PHE A 60 76.973 6.457 1.516 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.804 5.898 2.120 1.00 0.00 C ATOM 452 CD2 PHE A 60 76.953 7.801 1.032 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.615 6.683 2.242 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.764 8.586 1.155 1.00 0.00 C ATOM 455 CZ PHE A 60 74.595 8.028 1.760 1.00 0.00 C ATOM 0 H PHE A 60 78.134 6.421 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 60 79.057 3.957 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.272 4.932 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.094 6.272 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.819 4.882 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.835 8.224 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.732 6.259 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.749 9.602 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.698 8.622 1.853 1.00 0.00 H new ATOM 465 N ALA A 61 76.788 2.930 0.150 1.00 0.00 N ATOM 466 CA ALA A 61 75.497 2.236 -0.132 1.00 0.00 C ATOM 467 C ALA A 61 75.166 1.287 1.021 1.00 0.00 C ATOM 468 O ALA A 61 76.048 0.663 1.584 1.00 0.00 O ATOM 469 CB ALA A 61 75.736 1.453 -1.424 1.00 0.00 C ATOM 0 H ALA A 61 77.439 2.398 0.727 1.00 0.00 H new ATOM 0 HA ALA A 61 74.662 2.929 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.828 0.915 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 61 76.002 2.144 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.548 0.742 -1.273 1.00 0.00 H new ATOM 475 N ILE A 62 73.904 1.180 1.368 1.00 0.00 N ATOM 476 CA ILE A 62 73.506 0.405 2.584 1.00 0.00 C ATOM 477 C ILE A 62 72.198 -0.362 2.323 1.00 0.00 C ATOM 478 O ILE A 62 71.357 0.078 1.558 1.00 0.00 O ATOM 479 CB ILE A 62 73.353 1.458 3.702 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.018 0.766 5.027 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.248 2.470 3.362 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.217 1.747 6.184 1.00 0.00 C ATOM 0 H ILE A 62 73.128 1.600 0.856 1.00 0.00 H new ATOM 0 HA ILE A 62 74.241 -0.350 2.862 1.00 0.00 H new ATOM 0 HB ILE A 62 74.298 1.994 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 62 71.988 0.410 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.656 -0.107 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.163 3.200 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.497 2.982 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.299 1.947 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 62 72.978 1.252 7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.254 2.082 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.561 2.607 6.049 1.00 0.00 H new ATOM 494 N ILE A 63 72.040 -1.501 2.958 1.00 0.00 N ATOM 495 CA ILE A 63 70.783 -2.303 2.819 1.00 0.00 C ATOM 496 C ILE A 63 70.405 -2.904 4.182 1.00 0.00 C ATOM 497 O ILE A 63 71.269 -3.271 4.959 1.00 0.00 O ATOM 498 CB ILE A 63 71.104 -3.389 1.768 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.866 -4.260 1.523 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.261 -4.284 2.233 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.038 -5.036 0.216 1.00 0.00 C ATOM 0 H ILE A 63 72.740 -1.913 3.575 1.00 0.00 H new ATOM 0 HA ILE A 63 69.928 -1.707 2.499 1.00 0.00 H new ATOM 0 HB ILE A 63 71.397 -2.887 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.725 -4.952 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.974 -3.636 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.465 -5.039 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.152 -3.676 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.989 -4.774 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.158 -5.655 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.158 -4.335 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.921 -5.671 0.284 1.00 0.00 H new ATOM 513 N GLU A 64 69.126 -3.010 4.459 1.00 0.00 N ATOM 514 CA GLU A 64 68.666 -3.374 5.836 1.00 0.00 C ATOM 515 C GLU A 64 67.337 -4.131 5.762 1.00 0.00 C ATOM 516 O GLU A 64 66.503 -3.843 4.921 1.00 0.00 O ATOM 517 CB GLU A 64 68.481 -2.043 6.573 1.00 0.00 C ATOM 518 CG GLU A 64 69.839 -1.369 6.781 1.00 0.00 C ATOM 519 CD GLU A 64 69.692 -0.227 7.788 1.00 0.00 C ATOM 520 OE1 GLU A 64 69.133 0.793 7.420 1.00 0.00 O ATOM 521 OE2 GLU A 64 70.141 -0.392 8.910 1.00 0.00 O ATOM 0 H GLU A 64 68.376 -2.858 3.784 1.00 0.00 H new ATOM 0 HA GLU A 64 69.380 -4.021 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.824 -1.388 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.999 -2.214 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.566 -2.096 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.216 -0.986 5.833 1.00 0.00 H new ATOM 528 N GLU A 65 67.148 -5.092 6.639 1.00 0.00 N ATOM 529 CA GLU A 65 65.899 -5.917 6.624 1.00 0.00 C ATOM 530 C GLU A 65 64.939 -5.440 7.720 1.00 0.00 C ATOM 531 O GLU A 65 65.257 -5.495 8.895 1.00 0.00 O ATOM 532 CB GLU A 65 66.389 -7.345 6.900 1.00 0.00 C ATOM 533 CG GLU A 65 65.226 -8.345 6.806 1.00 0.00 C ATOM 534 CD GLU A 65 64.550 -8.520 8.175 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.234 -8.418 9.182 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.357 -8.769 8.189 1.00 0.00 O ATOM 0 H GLU A 65 67.814 -5.340 7.371 1.00 0.00 H new ATOM 0 HA GLU A 65 65.351 -5.846 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.165 -7.614 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.839 -7.395 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.496 -7.994 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.595 -9.307 6.451 1.00 0.00 H new ATOM 543 N ASP A 66 63.772 -4.973 7.331 1.00 0.00 N ATOM 544 CA ASP A 66 62.803 -4.397 8.322 1.00 0.00 C ATOM 545 C ASP A 66 61.928 -5.501 8.925 1.00 0.00 C ATOM 546 O ASP A 66 62.005 -6.646 8.521 1.00 0.00 O ATOM 547 CB ASP A 66 61.950 -3.377 7.540 1.00 0.00 C ATOM 548 CG ASP A 66 61.199 -4.023 6.357 1.00 0.00 C ATOM 549 OD1 ASP A 66 61.213 -5.241 6.237 1.00 0.00 O ATOM 550 OD2 ASP A 66 60.616 -3.278 5.588 1.00 0.00 O ATOM 0 H ASP A 66 63.448 -4.967 6.364 1.00 0.00 H new ATOM 0 HA ASP A 66 63.318 -3.920 9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.230 -2.916 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.593 -2.580 7.167 1.00 0.00 H new ATOM 555 N ASP A 67 61.096 -5.156 9.883 1.00 0.00 N ATOM 556 CA ASP A 67 60.300 -6.194 10.631 1.00 0.00 C ATOM 557 C ASP A 67 59.378 -7.003 9.697 1.00 0.00 C ATOM 558 O ASP A 67 58.914 -8.067 10.070 1.00 0.00 O ATOM 559 CB ASP A 67 59.475 -5.430 11.685 1.00 0.00 C ATOM 560 CG ASP A 67 58.558 -4.394 11.020 1.00 0.00 C ATOM 561 OD1 ASP A 67 57.444 -4.753 10.674 1.00 0.00 O ATOM 562 OD2 ASP A 67 58.986 -3.262 10.868 1.00 0.00 O ATOM 0 H ASP A 67 60.931 -4.195 10.182 1.00 0.00 H new ATOM 0 HA ASP A 67 60.967 -6.922 11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.876 -6.134 12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 60.145 -4.932 12.385 1.00 0.00 H new ATOM 567 N GLN A 68 59.111 -6.514 8.503 1.00 0.00 N ATOM 568 CA GLN A 68 58.248 -7.273 7.538 1.00 0.00 C ATOM 569 C GLN A 68 59.084 -8.162 6.597 1.00 0.00 C ATOM 570 O GLN A 68 58.533 -8.991 5.895 1.00 0.00 O ATOM 571 CB GLN A 68 57.507 -6.202 6.736 1.00 0.00 C ATOM 572 CG GLN A 68 56.462 -5.526 7.628 1.00 0.00 C ATOM 573 CD GLN A 68 55.666 -4.514 6.802 1.00 0.00 C ATOM 574 OE1 GLN A 68 54.765 -4.881 6.073 1.00 0.00 O ATOM 575 NE2 GLN A 68 55.959 -3.245 6.888 1.00 0.00 N ATOM 0 H GLN A 68 59.456 -5.619 8.157 1.00 0.00 H new ATOM 0 HA GLN A 68 57.571 -7.946 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.213 -5.462 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.024 -6.652 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.791 -6.274 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.951 -5.025 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 68 56.715 -2.936 7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 68 55.432 -2.562 6.344 1.00 0.00 H new ATOM 584 N GLY A 69 60.393 -8.000 6.576 1.00 0.00 N ATOM 585 CA GLY A 69 61.264 -8.870 5.723 1.00 0.00 C ATOM 586 C GLY A 69 61.485 -8.243 4.337 1.00 0.00 C ATOM 587 O GLY A 69 61.821 -8.941 3.397 1.00 0.00 O ATOM 0 H GLY A 69 60.894 -7.296 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.225 -9.021 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.805 -9.852 5.612 1.00 0.00 H new ATOM 591 N GLU A 70 61.296 -6.944 4.200 1.00 0.00 N ATOM 592 CA GLU A 70 61.680 -6.245 2.934 1.00 0.00 C ATOM 593 C GLU A 70 63.061 -5.606 3.092 1.00 0.00 C ATOM 594 O GLU A 70 63.376 -5.061 4.137 1.00 0.00 O ATOM 595 CB GLU A 70 60.613 -5.165 2.734 1.00 0.00 C ATOM 596 CG GLU A 70 59.266 -5.827 2.430 1.00 0.00 C ATOM 597 CD GLU A 70 58.221 -4.749 2.122 1.00 0.00 C ATOM 598 OE1 GLU A 70 58.184 -3.764 2.842 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.478 -4.928 1.173 1.00 0.00 O ATOM 0 H GLU A 70 60.891 -6.342 4.916 1.00 0.00 H new ATOM 0 HA GLU A 70 61.733 -6.926 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.533 -4.548 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 70 60.898 -4.504 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.365 -6.504 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 70 58.944 -6.427 3.281 1.00 0.00 H new ATOM 606 N THR A 71 63.880 -5.677 2.065 1.00 0.00 N ATOM 607 CA THR A 71 65.221 -5.013 2.106 1.00 0.00 C ATOM 608 C THR A 71 65.143 -3.624 1.467 1.00 0.00 C ATOM 609 O THR A 71 64.715 -3.483 0.335 1.00 0.00 O ATOM 610 CB THR A 71 66.156 -5.918 1.298 1.00 0.00 C ATOM 611 OG1 THR A 71 65.507 -6.342 0.105 1.00 0.00 O ATOM 612 CG2 THR A 71 66.534 -7.137 2.139 1.00 0.00 C ATOM 0 H THR A 71 63.673 -6.170 1.196 1.00 0.00 H new ATOM 0 HA THR A 71 65.575 -4.879 3.128 1.00 0.00 H new ATOM 0 HB THR A 71 67.057 -5.363 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.004 -5.593 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.199 -7.782 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.040 -6.810 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.633 -7.689 2.405 1.00 0.00 H new ATOM 620 N THR A 72 65.556 -2.607 2.191 1.00 0.00 N ATOM 621 CA THR A 72 65.571 -1.220 1.631 1.00 0.00 C ATOM 622 C THR A 72 66.974 -0.863 1.134 1.00 0.00 C ATOM 623 O THR A 72 67.899 -0.736 1.916 1.00 0.00 O ATOM 624 CB THR A 72 65.167 -0.312 2.794 1.00 0.00 C ATOM 625 OG1 THR A 72 65.911 -0.661 3.953 1.00 0.00 O ATOM 626 CG2 THR A 72 63.673 -0.480 3.075 1.00 0.00 C ATOM 0 H THR A 72 65.885 -2.682 3.153 1.00 0.00 H new ATOM 0 HA THR A 72 64.897 -1.115 0.781 1.00 0.00 H new ATOM 0 HB THR A 72 65.374 0.726 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.832 -0.879 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.384 0.166 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.103 -0.208 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.466 -1.518 3.335 1.00 0.00 H new ATOM 634 N LEU A 73 67.127 -0.703 -0.162 1.00 0.00 N ATOM 635 CA LEU A 73 68.458 -0.347 -0.743 1.00 0.00 C ATOM 636 C LEU A 73 68.531 1.156 -1.022 1.00 0.00 C ATOM 637 O LEU A 73 67.665 1.710 -1.678 1.00 0.00 O ATOM 638 CB LEU A 73 68.543 -1.138 -2.051 1.00 0.00 C ATOM 639 CG LEU A 73 68.811 -2.613 -1.744 1.00 0.00 C ATOM 640 CD1 LEU A 73 67.493 -3.315 -1.411 1.00 0.00 C ATOM 641 CD2 LEU A 73 69.447 -3.282 -2.965 1.00 0.00 C ATOM 0 H LEU A 73 66.377 -0.806 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 73 69.279 -0.584 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.613 -1.036 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.338 -0.737 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 73 69.488 -2.687 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 67.685 -4.365 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.038 -2.841 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 73 66.815 -3.239 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.638 -4.333 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 73 68.770 -3.206 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.387 -2.785 -3.204 1.00 0.00 H new ATOM 653 N ALA A 74 69.558 1.810 -0.528 1.00 0.00 N ATOM 654 CA ALA A 74 69.747 3.268 -0.805 1.00 0.00 C ATOM 655 C ALA A 74 71.238 3.607 -0.880 1.00 0.00 C ATOM 656 O ALA A 74 72.045 3.022 -0.181 1.00 0.00 O ATOM 657 CB ALA A 74 69.094 3.982 0.380 1.00 0.00 C ATOM 0 H ALA A 74 70.278 1.390 0.060 1.00 0.00 H new ATOM 0 HA ALA A 74 69.307 3.567 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.190 5.060 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.038 3.715 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.588 3.680 1.304 1.00 0.00 H new ATOM 663 N SER A 75 71.598 4.548 -1.725 1.00 0.00 N ATOM 664 CA SER A 75 73.024 4.985 -1.833 1.00 0.00 C ATOM 665 C SER A 75 73.090 6.492 -2.093 1.00 0.00 C ATOM 666 O SER A 75 72.090 7.109 -2.420 1.00 0.00 O ATOM 667 CB SER A 75 73.598 4.203 -3.015 1.00 0.00 C ATOM 668 OG SER A 75 72.947 4.609 -4.210 1.00 0.00 O ATOM 0 H SER A 75 70.955 5.035 -2.350 1.00 0.00 H new ATOM 0 HA SER A 75 73.586 4.795 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.671 4.378 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.461 3.133 -2.858 1.00 0.00 H new ATOM 0 HG SER A 75 73.315 4.110 -4.969 1.00 0.00 H new ATOM 674 N GLY A 76 74.256 7.081 -1.949 1.00 0.00 N ATOM 675 CA GLY A 76 74.401 8.557 -2.164 1.00 0.00 C ATOM 676 C GLY A 76 75.843 8.994 -1.888 1.00 0.00 C ATOM 677 O GLY A 76 76.746 8.176 -1.835 1.00 0.00 O ATOM 0 H GLY A 76 75.117 6.599 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.126 8.811 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.718 9.096 -1.507 1.00 0.00 H new ATOM 681 N CYS A 77 76.052 10.280 -1.712 1.00 0.00 N ATOM 682 CA CYS A 77 77.434 10.827 -1.538 1.00 0.00 C ATOM 683 C CYS A 77 77.756 10.999 -0.049 1.00 0.00 C ATOM 684 O CYS A 77 76.963 11.544 0.700 1.00 0.00 O ATOM 685 CB CYS A 77 77.409 12.195 -2.233 1.00 0.00 C ATOM 686 SG CYS A 77 77.816 12.009 -3.987 1.00 0.00 S ATOM 0 H CYS A 77 75.312 10.981 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 77 78.192 10.164 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.423 12.648 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.122 12.867 -1.756 1.00 0.00 H new ATOM 691 N MET A 78 78.912 10.538 0.375 1.00 0.00 N ATOM 692 CA MET A 78 79.321 10.687 1.806 1.00 0.00 C ATOM 693 C MET A 78 80.277 11.875 1.958 1.00 0.00 C ATOM 694 O MET A 78 81.324 11.913 1.334 1.00 0.00 O ATOM 695 CB MET A 78 79.969 9.403 2.326 1.00 0.00 C ATOM 696 CG MET A 78 80.140 9.361 3.836 1.00 0.00 C ATOM 697 SD MET A 78 80.896 7.831 4.410 1.00 0.00 S ATOM 698 CE MET A 78 79.458 6.769 4.536 1.00 0.00 C ATOM 0 H MET A 78 79.593 10.062 -0.216 1.00 0.00 H new ATOM 0 HA MET A 78 78.429 10.876 2.403 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.363 8.552 2.016 1.00 0.00 H new ATOM 0 HB3 MET A 78 80.946 9.286 1.857 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.754 10.205 4.151 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.166 9.480 4.311 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.748 5.738 4.334 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.041 6.838 5.541 1.00 0.00 H new ATOM 0 HE3 MET A 78 78.708 7.084 3.810 1.00 0.00 H new ATOM 708 N LYS A 79 79.919 12.835 2.784 1.00 0.00 N ATOM 709 CA LYS A 79 80.792 14.042 2.983 1.00 0.00 C ATOM 710 C LYS A 79 82.115 13.646 3.657 1.00 0.00 C ATOM 711 O LYS A 79 82.243 12.551 4.178 1.00 0.00 O ATOM 712 CB LYS A 79 79.989 15.023 3.862 1.00 0.00 C ATOM 713 CG LYS A 79 79.644 14.398 5.223 1.00 0.00 C ATOM 714 CD LYS A 79 79.084 15.481 6.151 1.00 0.00 C ATOM 715 CE LYS A 79 79.263 15.052 7.609 1.00 0.00 C ATOM 716 NZ LYS A 79 79.222 16.321 8.388 1.00 0.00 N ATOM 0 H LYS A 79 79.058 12.834 3.330 1.00 0.00 H new ATOM 0 HA LYS A 79 81.053 14.504 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.566 15.935 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.072 15.309 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 79 78.913 13.600 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.533 13.948 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.597 16.426 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.028 15.647 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.471 14.371 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.208 14.529 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.338 16.111 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 79.991 16.946 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.308 16.793 8.235 1.00 0.00 H new ATOM 994 N ARG A 97 71.969 -6.771 8.367 1.00 0.00 N ATOM 995 CA ARG A 97 72.120 -5.720 7.310 1.00 0.00 C ATOM 996 C ARG A 97 73.529 -5.761 6.706 1.00 0.00 C ATOM 997 O ARG A 97 74.428 -6.372 7.257 1.00 0.00 O ATOM 998 CB ARG A 97 71.843 -4.376 8.008 1.00 0.00 C ATOM 999 CG ARG A 97 72.837 -4.133 9.154 1.00 0.00 C ATOM 1000 CD ARG A 97 72.457 -2.848 9.898 1.00 0.00 C ATOM 1001 NE ARG A 97 73.094 -1.728 9.125 1.00 0.00 N ATOM 1002 CZ ARG A 97 73.360 -0.553 9.675 1.00 0.00 C ATOM 1003 NH1 ARG A 97 73.067 -0.270 10.926 1.00 0.00 N ATOM 1004 NH2 ARG A 97 73.929 0.365 8.942 1.00 0.00 N ATOM 0 HA ARG A 97 71.429 -5.877 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 97 71.913 -3.565 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 97 70.825 -4.368 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 97 72.830 -4.979 9.841 1.00 0.00 H new ATOM 0 HG3 ARG A 97 73.850 -4.051 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 97 71.375 -2.727 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 97 72.818 -2.869 10.926 1.00 0.00 H new ATOM 0 HE ARG A 97 73.329 -1.878 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 97 72.616 -0.970 11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 97 73.291 0.649 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 97 74.159 0.170 7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 97 74.144 1.278 9.344 1.00 0.00 H new ATOM 1018 N THR A 98 73.712 -5.113 5.578 1.00 0.00 N ATOM 1019 CA THR A 98 75.064 -5.037 4.940 1.00 0.00 C ATOM 1020 C THR A 98 75.355 -3.599 4.502 1.00 0.00 C ATOM 1021 O THR A 98 74.449 -2.859 4.162 1.00 0.00 O ATOM 1022 CB THR A 98 74.991 -5.964 3.726 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.438 -7.213 4.118 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.398 -6.180 3.167 1.00 0.00 C ATOM 0 H THR A 98 72.973 -4.629 5.068 1.00 0.00 H new ATOM 0 HA THR A 98 75.860 -5.332 5.624 1.00 0.00 H new ATOM 0 HB THR A 98 74.361 -5.513 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 98 73.616 -7.380 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.348 -6.841 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.822 -5.221 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 98 77.028 -6.632 3.933 1.00 0.00 H new ATOM 1032 N ILE A 99 76.610 -3.207 4.509 1.00 0.00 N ATOM 1033 CA ILE A 99 76.987 -1.826 4.075 1.00 0.00 C ATOM 1034 C ILE A 99 78.317 -1.865 3.305 1.00 0.00 C ATOM 1035 O ILE A 99 79.151 -2.721 3.545 1.00 0.00 O ATOM 1036 CB ILE A 99 77.086 -0.999 5.375 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.407 0.463 5.037 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.177 -1.557 6.304 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.168 1.342 6.266 1.00 0.00 C ATOM 0 H ILE A 99 77.393 -3.792 4.800 1.00 0.00 H new ATOM 0 HA ILE A 99 76.259 -1.382 3.396 1.00 0.00 H new ATOM 0 HB ILE A 99 76.127 -1.060 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.443 0.552 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.782 0.800 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.225 -0.955 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 99 77.940 -2.589 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.140 -1.523 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.397 2.379 6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.125 1.263 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.811 1.011 7.081 1.00 0.00 H new ATOM 1051 N GLU A 100 78.506 -0.942 2.388 1.00 0.00 N ATOM 1052 CA GLU A 100 79.734 -0.948 1.534 1.00 0.00 C ATOM 1053 C GLU A 100 80.190 0.485 1.232 1.00 0.00 C ATOM 1054 O GLU A 100 79.388 1.401 1.194 1.00 0.00 O ATOM 1055 CB GLU A 100 79.321 -1.659 0.242 1.00 0.00 C ATOM 1056 CG GLU A 100 79.353 -3.175 0.448 1.00 0.00 C ATOM 1057 CD GLU A 100 80.804 -3.652 0.564 1.00 0.00 C ATOM 1058 OE1 GLU A 100 81.618 -3.208 -0.229 1.00 0.00 O ATOM 1059 OE2 GLU A 100 81.074 -4.452 1.445 1.00 0.00 O ATOM 0 H GLU A 100 77.855 -0.180 2.196 1.00 0.00 H new ATOM 0 HA GLU A 100 80.568 -1.446 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.320 -1.344 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 100 79.994 -1.379 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 100 78.800 -3.441 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.862 -3.675 -0.387 1.00 0.00 H new ATOM 1066 N CYS A 101 81.475 0.667 1.019 1.00 0.00 N ATOM 1067 CA CYS A 101 82.022 2.015 0.658 1.00 0.00 C ATOM 1068 C CYS A 101 83.162 1.864 -0.359 1.00 0.00 C ATOM 1069 O CYS A 101 83.848 0.857 -0.372 1.00 0.00 O ATOM 1070 CB CYS A 101 82.518 2.643 1.977 1.00 0.00 C ATOM 1071 SG CYS A 101 83.786 1.613 2.780 1.00 0.00 S ATOM 0 H CYS A 101 82.175 -0.072 1.081 1.00 0.00 H new ATOM 0 HA CYS A 101 81.269 2.651 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 101 82.927 3.633 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.675 2.777 2.655 1.00 0.00 H new ATOM 0 HG CYS A 101 84.334 0.833 1.897 1.00 0.00 H new ATOM 1076 N CYS A 102 83.361 2.853 -1.200 1.00 0.00 N ATOM 1077 CA CYS A 102 84.383 2.736 -2.294 1.00 0.00 C ATOM 1078 C CYS A 102 84.833 4.122 -2.771 1.00 0.00 C ATOM 1079 O CYS A 102 84.021 5.003 -2.991 1.00 0.00 O ATOM 1080 CB CYS A 102 83.730 1.930 -3.435 1.00 0.00 C ATOM 1081 SG CYS A 102 82.158 2.667 -3.973 1.00 0.00 S ATOM 0 H CYS A 102 82.858 3.740 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 102 85.279 2.228 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.415 1.879 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.556 0.906 -3.103 1.00 0.00 H new ATOM 1086 N ARG A 103 86.129 4.306 -2.927 1.00 0.00 N ATOM 1087 CA ARG A 103 86.687 5.657 -3.248 1.00 0.00 C ATOM 1088 C ARG A 103 87.153 5.716 -4.711 1.00 0.00 C ATOM 1089 O ARG A 103 88.245 6.178 -5.010 1.00 0.00 O ATOM 1090 CB ARG A 103 87.871 5.824 -2.287 1.00 0.00 C ATOM 1091 CG ARG A 103 88.082 7.309 -1.983 1.00 0.00 C ATOM 1092 CD ARG A 103 89.283 7.474 -1.046 1.00 0.00 C ATOM 1093 NE ARG A 103 90.495 7.165 -1.878 1.00 0.00 N ATOM 1094 CZ ARG A 103 91.643 6.786 -1.342 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.816 6.669 -0.043 1.00 0.00 N ATOM 1096 NH2 ARG A 103 92.649 6.527 -2.133 1.00 0.00 N ATOM 0 H ARG A 103 86.827 3.567 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 103 85.949 6.451 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.682 5.277 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.773 5.401 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.251 7.860 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.187 7.727 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.331 8.487 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 103 89.210 6.798 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 103 90.430 7.251 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.047 6.874 0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.720 6.373 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 103 92.540 6.619 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 103 93.544 6.233 -1.741 1.00 0.00 H new ATOM 1110 N THR A 104 86.325 5.253 -5.617 1.00 0.00 N ATOM 1111 CA THR A 104 86.668 5.297 -7.073 1.00 0.00 C ATOM 1112 C THR A 104 85.417 5.620 -7.893 1.00 0.00 C ATOM 1113 O THR A 104 84.310 5.300 -7.501 1.00 0.00 O ATOM 1114 CB THR A 104 87.203 3.900 -7.402 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.300 2.919 -6.919 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.568 3.709 -6.740 1.00 0.00 C ATOM 0 H THR A 104 85.416 4.842 -5.406 1.00 0.00 H new ATOM 0 HA THR A 104 87.403 6.067 -7.307 1.00 0.00 H new ATOM 0 HB THR A 104 87.305 3.796 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.643 2.026 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 104 88.950 2.715 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.262 4.461 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.466 3.814 -5.660 1.00 0.00 H new ATOM 1124 N ASN A 105 85.592 6.245 -9.031 1.00 0.00 N ATOM 1125 CA ASN A 105 84.436 6.915 -9.723 1.00 0.00 C ATOM 1126 C ASN A 105 83.357 5.903 -10.130 1.00 0.00 C ATOM 1127 O ASN A 105 83.641 4.867 -10.699 1.00 0.00 O ATOM 1128 CB ASN A 105 85.018 7.631 -10.958 1.00 0.00 C ATOM 1129 CG ASN A 105 85.727 6.634 -11.886 1.00 0.00 C ATOM 1130 OD1 ASN A 105 85.086 5.853 -12.562 1.00 0.00 O ATOM 1131 ND2 ASN A 105 87.031 6.631 -11.946 1.00 0.00 N ATOM 0 H ASN A 105 86.486 6.323 -9.516 1.00 0.00 H new ATOM 0 HA ASN A 105 83.947 7.622 -9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.219 8.135 -11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.721 8.401 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 105 87.512 5.974 -12.560 1.00 0.00 H new ATOM 0 HD22 ASN A 105 87.569 7.286 -11.379 1.00 0.00 H new ATOM 1138 N LEU A 106 82.111 6.217 -9.828 1.00 0.00 N ATOM 1139 CA LEU A 106 80.947 5.323 -10.169 1.00 0.00 C ATOM 1140 C LEU A 106 81.162 3.886 -9.670 1.00 0.00 C ATOM 1141 O LEU A 106 80.637 2.947 -10.244 1.00 0.00 O ATOM 1142 CB LEU A 106 80.824 5.346 -11.702 1.00 0.00 C ATOM 1143 CG LEU A 106 80.554 6.774 -12.197 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.651 6.808 -13.723 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.154 7.218 -11.767 1.00 0.00 C ATOM 0 H LEU A 106 81.847 7.077 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 106 80.039 5.680 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.741 4.966 -12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.016 4.686 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 106 81.293 7.450 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.460 7.821 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.650 6.498 -14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.913 6.129 -14.150 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.969 8.232 -12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.411 6.543 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.083 7.195 -10.680 1.00 0.00 H new ATOM 1157 N CYS A 107 81.928 3.715 -8.613 1.00 0.00 N ATOM 1158 CA CYS A 107 82.079 2.352 -7.986 1.00 0.00 C ATOM 1159 C CYS A 107 80.737 1.829 -7.444 1.00 0.00 C ATOM 1160 O CYS A 107 80.549 0.631 -7.322 1.00 0.00 O ATOM 1161 CB CYS A 107 83.115 2.491 -6.853 1.00 0.00 C ATOM 1162 SG CYS A 107 82.611 3.729 -5.621 1.00 0.00 S ATOM 0 H CYS A 107 82.456 4.459 -8.156 1.00 0.00 H new ATOM 0 HA CYS A 107 82.411 1.628 -8.729 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.250 1.526 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.080 2.771 -7.276 1.00 0.00 H new ATOM 1167 N ASN A 108 79.818 2.714 -7.121 1.00 0.00 N ATOM 1168 CA ASN A 108 78.479 2.272 -6.597 1.00 0.00 C ATOM 1169 C ASN A 108 77.624 1.661 -7.714 1.00 0.00 C ATOM 1170 O ASN A 108 76.804 0.797 -7.460 1.00 0.00 O ATOM 1171 CB ASN A 108 77.806 3.538 -6.044 1.00 0.00 C ATOM 1172 CG ASN A 108 78.164 3.721 -4.566 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.243 3.363 -4.136 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.296 4.274 -3.765 1.00 0.00 N ATOM 0 H ASN A 108 79.937 3.724 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 108 78.591 1.504 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.128 4.409 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.725 3.464 -6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.523 4.406 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.390 4.575 -4.124 1.00 0.00 H new ATOM 1181 N GLN A 109 77.811 2.098 -8.944 1.00 0.00 N ATOM 1182 CA GLN A 109 76.849 1.736 -10.044 1.00 0.00 C ATOM 1183 C GLN A 109 76.825 0.219 -10.270 1.00 0.00 C ATOM 1184 O GLN A 109 75.777 -0.360 -10.495 1.00 0.00 O ATOM 1185 CB GLN A 109 77.364 2.446 -11.301 1.00 0.00 C ATOM 1186 CG GLN A 109 76.303 2.367 -12.402 1.00 0.00 C ATOM 1187 CD GLN A 109 76.854 2.994 -13.685 1.00 0.00 C ATOM 1188 OE1 GLN A 109 76.952 4.200 -13.795 1.00 0.00 O ATOM 1189 NE2 GLN A 109 77.218 2.218 -14.670 1.00 0.00 N ATOM 0 H GLN A 109 78.589 2.690 -9.233 1.00 0.00 H new ATOM 0 HA GLN A 109 75.832 2.038 -9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.593 3.488 -11.075 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.290 1.982 -11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.026 1.328 -12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.398 2.888 -12.089 1.00 0.00 H new ATOM 0 HE21 GLN A 109 77.136 1.205 -14.579 1.00 0.00 H new ATOM 0 HE22 GLN A 109 77.584 2.624 -15.531 1.00 0.00 H new ATOM 1198 N TYR A 110 77.975 -0.417 -10.208 1.00 0.00 N ATOM 1199 CA TYR A 110 78.050 -1.897 -10.427 1.00 0.00 C ATOM 1200 C TYR A 110 78.165 -2.665 -9.099 1.00 0.00 C ATOM 1201 O TYR A 110 78.528 -3.829 -9.099 1.00 0.00 O ATOM 1202 CB TYR A 110 79.314 -2.100 -11.264 1.00 0.00 C ATOM 1203 CG TYR A 110 79.235 -1.472 -12.636 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.302 -1.972 -13.598 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.094 -0.381 -12.974 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.229 -1.379 -14.896 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.020 0.212 -14.272 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.088 -0.287 -15.233 1.00 0.00 C ATOM 1209 OH TYR A 110 79.016 0.285 -16.488 1.00 0.00 O ATOM 0 H TYR A 110 78.870 0.032 -10.013 1.00 0.00 H new ATOM 0 HA TYR A 110 77.151 -2.273 -10.915 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.166 -1.680 -10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.501 -3.168 -11.372 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.653 -2.797 -13.344 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.799 -0.005 -12.248 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.525 -1.756 -15.623 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.669 1.037 -14.527 1.00 0.00 H new ATOM 0 HH TYR A 110 79.666 1.015 -16.553 1.00 0.00 H new ATOM 1219 N LEU A 111 77.862 -2.034 -7.981 1.00 0.00 N ATOM 1220 CA LEU A 111 78.041 -2.701 -6.653 1.00 0.00 C ATOM 1221 C LEU A 111 76.683 -2.896 -5.967 1.00 0.00 C ATOM 1222 O LEU A 111 76.069 -1.944 -5.521 1.00 0.00 O ATOM 1223 CB LEU A 111 78.916 -1.739 -5.845 1.00 0.00 C ATOM 1224 CG LEU A 111 79.362 -2.417 -4.547 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.550 -3.338 -4.834 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.777 -1.350 -3.533 1.00 0.00 C ATOM 0 H LEU A 111 77.497 -1.082 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 111 78.493 -3.689 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.787 -1.444 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.361 -0.829 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 111 78.538 -3.004 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.868 -3.821 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.255 -4.098 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.375 -2.752 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 111 80.095 -1.831 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.601 -0.763 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.931 -0.694 -3.328 1.00 0.00 H new ATOM 1238 N GLN A 112 76.223 -4.124 -5.887 1.00 0.00 N ATOM 1239 CA GLN A 112 74.980 -4.432 -5.114 1.00 0.00 C ATOM 1240 C GLN A 112 75.343 -5.016 -3.733 1.00 0.00 C ATOM 1241 O GLN A 112 76.002 -6.039 -3.681 1.00 0.00 O ATOM 1242 CB GLN A 112 74.249 -5.483 -5.953 1.00 0.00 C ATOM 1243 CG GLN A 112 72.822 -5.652 -5.430 1.00 0.00 C ATOM 1244 CD GLN A 112 71.941 -6.241 -6.532 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.200 -7.324 -7.020 1.00 0.00 O ATOM 1246 NE2 GLN A 112 70.902 -5.570 -6.949 1.00 0.00 N ATOM 0 H GLN A 112 76.662 -4.932 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 112 74.372 -3.545 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.230 -5.179 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.780 -6.434 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.818 -6.306 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.425 -4.689 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 112 70.684 -4.661 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.308 -5.954 -7.684 1.00 0.00 H new ATOM 1255 N PRO A 113 74.918 -4.370 -2.653 1.00 0.00 N ATOM 1256 CA PRO A 113 75.104 -4.964 -1.297 1.00 0.00 C ATOM 1257 C PRO A 113 74.226 -6.213 -1.139 1.00 0.00 C ATOM 1258 O PRO A 113 73.094 -6.237 -1.589 1.00 0.00 O ATOM 1259 CB PRO A 113 74.669 -3.855 -0.325 1.00 0.00 C ATOM 1260 CG PRO A 113 74.523 -2.618 -1.154 1.00 0.00 C ATOM 1261 CD PRO A 113 74.253 -3.058 -2.563 1.00 0.00 C ATOM 0 HA PRO A 113 76.130 -5.284 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.729 -4.111 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.410 -3.713 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 113 73.707 -1.999 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 113 75.429 -2.014 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.184 -3.137 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.660 -2.353 -3.288 1.00 0.00 H new ATOM 1269 N THR A 114 74.748 -7.239 -0.507 1.00 0.00 N ATOM 1270 CA THR A 114 73.962 -8.496 -0.297 1.00 0.00 C ATOM 1271 C THR A 114 74.211 -9.043 1.112 1.00 0.00 C ATOM 1272 O THR A 114 75.281 -8.863 1.668 1.00 0.00 O ATOM 1273 CB THR A 114 74.468 -9.484 -1.354 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.878 -9.634 -1.235 1.00 0.00 O ATOM 1275 CG2 THR A 114 74.115 -8.971 -2.754 1.00 0.00 C ATOM 0 H THR A 114 75.693 -7.258 -0.125 1.00 0.00 H new ATOM 0 HA THR A 114 72.890 -8.325 -0.392 1.00 0.00 H new ATOM 0 HB THR A 114 73.991 -10.452 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 114 76.198 -10.267 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.477 -9.677 -3.502 1.00 0.00 H new ATOM 0 HG22 THR A 114 73.033 -8.871 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.584 -8.000 -2.915 1.00 0.00 H new ATOM 1283 N LEU A 115 73.230 -9.710 1.680 1.00 0.00 N ATOM 1284 CA LEU A 115 73.393 -10.287 3.056 1.00 0.00 C ATOM 1285 C LEU A 115 74.358 -11.485 3.015 1.00 0.00 C ATOM 1286 O LEU A 115 74.496 -12.104 1.976 1.00 0.00 O ATOM 1287 CB LEU A 115 71.996 -10.744 3.490 1.00 0.00 C ATOM 1288 CG LEU A 115 71.206 -9.544 4.016 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.712 -9.876 4.015 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.656 -9.223 5.442 1.00 0.00 C ATOM 0 H LEU A 115 72.322 -9.880 1.248 1.00 0.00 H new ATOM 0 HA LEU A 115 73.807 -9.557 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.472 -11.197 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 115 72.076 -11.508 4.264 1.00 0.00 H new ATOM 0 HG LEU A 115 71.387 -8.681 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.149 -9.021 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.391 -10.105 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.531 -10.739 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.094 -8.368 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.476 -10.086 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.720 -8.986 5.443 1.00 0.00 H new