USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 80 TYR OH : rot -118:sc= 0.11 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= -0.0558 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.0353 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.573 USER MOD Set 3.1: A 16 SER OG : rot 169:sc= 0.205 USER MOD Set 3.2: A 54 SER OG : rot 160:sc= 0.193 USER MOD Single : A 6 SER OG : rot 170:sc= -0.052 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.7!) USER MOD Single : A 14 MET CE :methyl -177:sc= -2.43! (180deg=-2.46!) USER MOD Single : A 20 CYS SG : rot -72:sc= -0.37 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0836 (180deg=-0.531) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 27 GLN : amide:sc= -0.427 K(o=-0.43,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -0.0439 (180deg=-0.832) USER MOD Single : A 29 GLN : amide:sc= -0.0458 K(o=-0.046,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -1.52 K(o=-1.5,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.83) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 153:sc= -0.147 (180deg=-0.769) USER MOD Single : A 60 SER OG : rot -50:sc= 0.468 USER MOD Single : A 64 SER OG : rot 91:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.97) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.289 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 0.140 -11.872 -2.793 1.00 10.42 N ATOM 67 CA SER A 6 -0.815 -12.571 -1.941 1.00 13.32 C ATOM 68 C SER A 6 -0.604 -12.207 -0.475 1.00 1.55 C ATOM 69 O SER A 6 0.358 -12.651 0.153 1.00 70.20 O ATOM 70 CB SER A 6 -0.685 -14.084 -2.126 1.00 31.11 C ATOM 71 OG SER A 6 -1.724 -14.772 -1.453 1.00 12.30 O ATOM 0 HA SER A 6 -1.818 -12.261 -2.233 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.712 -14.327 -3.188 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.281 -14.418 -1.747 1.00 31.11 H new ATOM 0 HG SER A 6 -1.715 -15.716 -1.716 1.00 12.30 H new ATOM 77 N GLU A 7 -1.509 -11.396 0.064 1.00 25.12 N ATOM 78 CA GLU A 7 -1.420 -10.971 1.456 1.00 23.40 C ATOM 79 C GLU A 7 -1.281 -12.174 2.384 1.00 11.43 C ATOM 80 O GLU A 7 -0.563 -12.121 3.383 1.00 4.20 O ATOM 81 CB GLU A 7 -2.656 -10.156 1.844 1.00 61.41 C ATOM 82 CG GLU A 7 -2.620 -8.722 1.342 1.00 52.15 C ATOM 83 CD GLU A 7 -3.510 -7.798 2.151 1.00 32.24 C ATOM 84 OE1 GLU A 7 -3.047 -7.288 3.192 1.00 63.30 O ATOM 85 OE2 GLU A 7 -4.671 -7.586 1.742 1.00 13.40 O ATOM 0 H GLU A 7 -2.311 -11.021 -0.442 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.533 -10.346 1.562 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.545 -10.648 1.449 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.751 -10.150 2.930 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.594 -8.355 1.377 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.932 -8.699 0.298 1.00 52.15 H new ATOM 92 N GLU A 8 -1.973 -13.259 2.047 1.00 62.33 N ATOM 93 CA GLU A 8 -1.926 -14.474 2.850 1.00 22.01 C ATOM 94 C GLU A 8 -0.496 -14.993 2.971 1.00 45.53 C ATOM 95 O GLU A 8 -0.015 -15.266 4.071 1.00 0.33 O ATOM 96 CB GLU A 8 -2.821 -15.553 2.235 1.00 5.22 C ATOM 97 CG GLU A 8 -3.311 -16.582 3.240 1.00 4.01 C ATOM 98 CD GLU A 8 -4.361 -17.509 2.660 1.00 65.32 C ATOM 99 OE1 GLU A 8 -4.837 -17.238 1.537 1.00 10.50 O ATOM 100 OE2 GLU A 8 -4.707 -18.506 3.327 1.00 20.33 O ATOM 0 H GLU A 8 -2.572 -13.320 1.224 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.292 -14.233 3.848 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.682 -15.076 1.767 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.270 -16.063 1.444 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.465 -17.172 3.592 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.724 -16.069 4.108 1.00 4.01 H new ATOM 107 N ILE A 9 0.177 -15.126 1.833 1.00 60.43 N ATOM 108 CA ILE A 9 1.551 -15.611 1.811 1.00 52.14 C ATOM 109 C ILE A 9 2.515 -14.555 2.341 1.00 13.42 C ATOM 110 O ILE A 9 3.535 -14.878 2.950 1.00 51.22 O ATOM 111 CB ILE A 9 1.983 -16.017 0.390 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.885 -16.843 -0.284 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.288 -16.797 0.435 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.272 -17.362 -1.651 1.00 72.45 C ATOM 0 H ILE A 9 -0.207 -14.905 0.914 1.00 60.43 H new ATOM 0 HA ILE A 9 1.586 -16.489 2.457 1.00 52.14 H new ATOM 0 HB ILE A 9 2.144 -15.113 -0.197 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.631 -17.687 0.357 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.013 -16.232 -0.377 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.580 -17.077 -0.577 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.067 -16.177 0.879 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.154 -17.697 1.035 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.446 -17.938 -2.069 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.498 -16.522 -2.308 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.151 -18.000 -1.562 1.00 72.45 H new ATOM 126 N LYS A 10 2.186 -13.289 2.106 1.00 24.45 N ATOM 127 CA LYS A 10 3.019 -12.183 2.562 1.00 53.51 C ATOM 128 C LYS A 10 3.337 -12.318 4.048 1.00 24.33 C ATOM 129 O LYS A 10 4.459 -12.054 4.478 1.00 33.51 O ATOM 130 CB LYS A 10 2.319 -10.848 2.298 1.00 74.03 C ATOM 131 CG LYS A 10 3.279 -9.683 2.127 1.00 54.41 C ATOM 132 CD LYS A 10 3.746 -9.144 3.470 1.00 65.13 C ATOM 133 CE LYS A 10 4.404 -7.780 3.323 1.00 45.24 C ATOM 134 NZ LYS A 10 4.922 -7.272 4.624 1.00 3.11 N ATOM 0 H LYS A 10 1.347 -13.004 1.601 1.00 24.45 H new ATOM 0 HA LYS A 10 3.955 -12.212 2.004 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.707 -10.939 1.400 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.642 -10.632 3.125 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.141 -10.004 1.543 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.791 -8.887 1.564 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.896 -9.068 4.149 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.451 -9.843 3.919 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.223 -7.847 2.607 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.683 -7.071 2.917 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.363 -6.341 4.482 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 4.136 -7.184 5.300 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.629 -7.936 4.999 1.00 3.11 H new ATOM 148 N ALA A 11 2.343 -12.732 4.826 1.00 50.21 N ATOM 149 CA ALA A 11 2.518 -12.905 6.262 1.00 34.33 C ATOM 150 C ALA A 11 3.422 -14.095 6.566 1.00 4.45 C ATOM 151 O ALA A 11 4.146 -14.097 7.561 1.00 53.20 O ATOM 152 CB ALA A 11 1.168 -13.078 6.942 1.00 43.42 C ATOM 0 H ALA A 11 1.407 -12.954 4.485 1.00 50.21 H new ATOM 0 HA ALA A 11 2.998 -12.008 6.654 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.315 -13.206 8.014 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.554 -12.195 6.763 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.666 -13.957 6.537 1.00 43.42 H new ATOM 158 N GLN A 12 3.375 -15.104 5.701 1.00 24.33 N ATOM 159 CA GLN A 12 4.189 -16.299 5.879 1.00 2.14 C ATOM 160 C GLN A 12 5.643 -16.029 5.507 1.00 42.14 C ATOM 161 O GLN A 12 6.562 -16.422 6.225 1.00 75.20 O ATOM 162 CB GLN A 12 3.638 -17.447 5.031 1.00 54.01 C ATOM 163 CG GLN A 12 2.469 -18.174 5.675 1.00 32.44 C ATOM 164 CD GLN A 12 2.889 -19.455 6.369 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.815 -20.541 5.790 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.333 -19.337 7.614 1.00 62.23 N ATOM 0 H GLN A 12 2.782 -15.117 4.871 1.00 24.33 H new ATOM 0 HA GLN A 12 4.149 -16.581 6.931 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.323 -17.054 4.064 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.438 -18.162 4.839 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.989 -17.514 6.398 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.725 -18.405 4.912 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.377 -18.418 8.055 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.630 -20.165 8.130 1.00 62.23 H new ATOM 175 N VAL A 13 5.845 -15.355 4.379 1.00 55.30 N ATOM 176 CA VAL A 13 7.187 -15.030 3.912 1.00 61.15 C ATOM 177 C VAL A 13 7.887 -14.073 4.870 1.00 35.34 C ATOM 178 O VAL A 13 9.073 -14.228 5.162 1.00 43.12 O ATOM 179 CB VAL A 13 7.155 -14.399 2.506 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.682 -15.413 1.477 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.267 -13.164 2.498 1.00 71.30 C ATOM 0 H VAL A 13 5.096 -15.023 3.772 1.00 55.30 H new ATOM 0 HA VAL A 13 7.742 -15.967 3.870 1.00 61.15 H new ATOM 0 HB VAL A 13 8.167 -14.093 2.240 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.666 -14.950 0.490 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.362 -16.265 1.467 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.679 -15.752 1.735 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.255 -12.731 1.498 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.253 -13.443 2.784 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.655 -12.432 3.206 1.00 71.30 H new ATOM 191 N MET A 14 7.145 -13.086 5.359 1.00 13.51 N ATOM 192 CA MET A 14 7.694 -12.103 6.287 1.00 42.15 C ATOM 193 C MET A 14 7.917 -12.723 7.662 1.00 13.12 C ATOM 194 O MET A 14 8.902 -12.422 8.335 1.00 73.12 O ATOM 195 CB MET A 14 6.757 -10.900 6.402 1.00 42.43 C ATOM 196 CG MET A 14 5.421 -11.229 7.047 1.00 3.14 C ATOM 197 SD MET A 14 5.402 -10.893 8.818 1.00 42.00 S ATOM 198 CE MET A 14 3.822 -11.598 9.281 1.00 52.44 C ATOM 0 H MET A 14 6.161 -12.945 5.129 1.00 13.51 H new ATOM 0 HA MET A 14 8.656 -11.768 5.898 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.250 -10.121 6.983 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.580 -10.492 5.407 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.636 -10.649 6.563 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.190 -12.281 6.878 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.641 -11.421 10.341 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.030 -11.132 8.695 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.832 -12.671 9.089 1.00 52.44 H new ATOM 208 N GLU A 15 6.996 -13.588 8.074 1.00 31.13 N ATOM 209 CA GLU A 15 7.094 -14.248 9.371 1.00 3.51 C ATOM 210 C GLU A 15 8.283 -15.204 9.407 1.00 40.41 C ATOM 211 O GLU A 15 8.944 -15.350 10.435 1.00 50.11 O ATOM 212 CB GLU A 15 5.803 -15.010 9.679 1.00 51.42 C ATOM 213 CG GLU A 15 5.881 -15.854 10.941 1.00 64.33 C ATOM 214 CD GLU A 15 4.521 -16.344 11.398 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.777 -15.547 12.008 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.202 -17.525 11.148 1.00 12.44 O ATOM 0 H GLU A 15 6.174 -13.848 7.529 1.00 31.13 H new ATOM 0 HA GLU A 15 7.244 -13.480 10.130 1.00 3.51 H new ATOM 0 HB2 GLU A 15 4.985 -14.297 9.779 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.562 -15.656 8.835 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.531 -16.711 10.761 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.339 -15.268 11.738 1.00 64.33 H new ATOM 223 N SER A 16 8.548 -15.852 8.277 1.00 34.34 N ATOM 224 CA SER A 16 9.654 -16.798 8.180 1.00 4.21 C ATOM 225 C SER A 16 10.990 -16.065 8.109 1.00 25.30 C ATOM 226 O SER A 16 11.928 -16.388 8.839 1.00 71.45 O ATOM 227 CB SER A 16 9.483 -17.690 6.948 1.00 21.44 C ATOM 228 OG SER A 16 10.380 -18.786 6.985 1.00 73.30 O ATOM 0 H SER A 16 8.012 -15.739 7.416 1.00 34.34 H new ATOM 0 HA SER A 16 9.647 -17.421 9.075 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.458 -18.056 6.900 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.655 -17.105 6.045 1.00 21.44 H new ATOM 0 HG SER A 16 10.136 -19.432 6.290 1.00 73.30 H new ATOM 234 N VAL A 17 11.069 -15.074 7.226 1.00 40.23 N ATOM 235 CA VAL A 17 12.289 -14.294 7.061 1.00 71.33 C ATOM 236 C VAL A 17 12.721 -13.662 8.379 1.00 73.43 C ATOM 237 O VAL A 17 13.877 -13.781 8.787 1.00 75.50 O ATOM 238 CB VAL A 17 12.107 -13.184 6.007 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.322 -12.270 5.979 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.853 -13.790 4.635 1.00 64.43 C ATOM 0 H VAL A 17 10.303 -14.793 6.614 1.00 40.23 H new ATOM 0 HA VAL A 17 13.062 -14.984 6.722 1.00 71.33 H new ATOM 0 HB VAL A 17 11.239 -12.585 6.281 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.175 -11.493 5.229 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.453 -11.809 6.958 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.209 -12.852 5.730 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.727 -12.993 3.903 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.700 -14.413 4.350 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.949 -14.399 4.668 1.00 64.43 H new ATOM 250 N ILE A 18 11.785 -12.990 9.041 1.00 20.20 N ATOM 251 CA ILE A 18 12.069 -12.341 10.314 1.00 4.21 C ATOM 252 C ILE A 18 12.805 -13.284 11.261 1.00 21.34 C ATOM 253 O ILE A 18 13.849 -12.936 11.812 1.00 62.42 O ATOM 254 CB ILE A 18 10.777 -11.852 10.998 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.183 -10.671 10.227 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.056 -11.464 12.441 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.704 -10.472 10.472 1.00 14.31 C ATOM 0 H ILE A 18 10.824 -12.881 8.717 1.00 20.20 H new ATOM 0 HA ILE A 18 12.703 -11.482 10.095 1.00 4.21 H new ATOM 0 HB ILE A 18 10.051 -12.665 10.996 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.715 -9.761 10.506 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.349 -10.823 9.161 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.134 -11.121 12.910 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.439 -12.329 12.983 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.796 -10.664 12.466 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.351 -9.618 9.894 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.161 -11.366 10.167 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.532 -10.288 11.533 1.00 14.31 H new ATOM 269 N GLY A 19 12.253 -14.480 11.444 1.00 20.44 N ATOM 270 CA GLY A 19 12.872 -15.455 12.322 1.00 33.42 C ATOM 271 C GLY A 19 14.099 -16.096 11.704 1.00 43.03 C ATOM 272 O GLY A 19 14.969 -16.600 12.416 1.00 24.14 O ATOM 0 H GLY A 19 11.389 -14.790 11.000 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.151 -14.971 13.258 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.146 -16.230 12.568 1.00 33.42 H new ATOM 276 N CYS A 20 14.169 -16.078 10.378 1.00 11.52 N ATOM 277 CA CYS A 20 15.298 -16.665 9.664 1.00 1.22 C ATOM 278 C CYS A 20 16.591 -15.925 9.991 1.00 65.11 C ATOM 279 O CYS A 20 17.597 -16.540 10.349 1.00 25.20 O ATOM 280 CB CYS A 20 15.046 -16.634 8.156 1.00 12.21 C ATOM 281 SG CYS A 20 15.944 -17.903 7.232 1.00 23.42 S ATOM 0 H CYS A 20 13.458 -15.664 9.775 1.00 11.52 H new ATOM 0 HA CYS A 20 15.402 -17.701 9.986 1.00 1.22 H new ATOM 0 HB2 CYS A 20 13.978 -16.755 7.974 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.326 -15.653 7.772 1.00 12.21 H new ATOM 0 HG CYS A 20 17.207 -17.597 7.190 1.00 23.42 H new ATOM 287 N LEU A 21 16.559 -14.603 9.865 1.00 53.41 N ATOM 288 CA LEU A 21 17.729 -13.778 10.146 1.00 51.22 C ATOM 289 C LEU A 21 17.579 -13.057 11.481 1.00 15.30 C ATOM 290 O LEU A 21 18.425 -12.247 11.860 1.00 53.22 O ATOM 291 CB LEU A 21 17.940 -12.760 9.025 1.00 25.12 C ATOM 292 CG LEU A 21 16.700 -12.392 8.209 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.837 -10.990 7.634 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.472 -13.407 7.098 1.00 52.43 C ATOM 0 H LEU A 21 15.735 -14.079 9.570 1.00 53.41 H new ATOM 0 HA LEU A 21 18.599 -14.432 10.203 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.347 -11.848 9.462 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.695 -13.151 8.344 1.00 25.12 H new ATOM 0 HG LEU A 21 15.834 -12.408 8.871 1.00 53.32 H new ATOM 0 HD11 LEU A 21 15.946 -10.745 7.056 1.00 4.41 H new ATOM 0 HD12 LEU A 21 16.951 -10.273 8.447 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.712 -10.946 6.986 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.586 -13.129 6.528 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.338 -13.423 6.437 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.329 -14.396 7.533 1.00 52.43 H new ATOM 306 N LYS A 22 16.498 -13.358 12.193 1.00 1.40 N ATOM 307 CA LYS A 22 16.238 -12.742 13.488 1.00 75.54 C ATOM 308 C LYS A 22 16.376 -11.226 13.407 1.00 52.33 C ATOM 309 O LYS A 22 17.455 -10.676 13.634 1.00 32.45 O ATOM 310 CB LYS A 22 17.200 -13.296 14.542 1.00 53.14 C ATOM 311 CG LYS A 22 17.230 -14.814 14.600 1.00 11.31 C ATOM 312 CD LYS A 22 15.924 -15.376 15.137 1.00 24.50 C ATOM 313 CE LYS A 22 16.002 -16.884 15.326 1.00 14.00 C ATOM 314 NZ LYS A 22 17.105 -17.272 16.249 1.00 54.14 N ATOM 0 H LYS A 22 15.787 -14.026 11.894 1.00 1.40 H new ATOM 0 HA LYS A 22 15.215 -12.981 13.777 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.205 -12.929 14.333 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.916 -12.909 15.521 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.417 -15.214 13.603 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.055 -15.139 15.234 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.686 -14.901 16.089 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.113 -15.136 14.449 1.00 24.50 H new ATOM 0 HE2 LYS A 22 15.054 -17.250 15.720 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.152 -17.364 14.359 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.946 -18.241 16.592 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 18.013 -17.228 15.743 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 17.127 -16.618 17.057 1.00 54.14 H new ATOM 328 N LEU A 23 15.276 -10.554 13.084 1.00 63.12 N ATOM 329 CA LEU A 23 15.274 -9.098 12.974 1.00 10.22 C ATOM 330 C LEU A 23 14.899 -8.453 14.304 1.00 71.20 C ATOM 331 O LEU A 23 14.418 -9.123 15.217 1.00 42.11 O ATOM 332 CB LEU A 23 14.298 -8.651 11.884 1.00 24.31 C ATOM 333 CG LEU A 23 14.789 -8.796 10.443 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.086 -8.027 10.242 1.00 62.24 C ATOM 335 CD2 LEU A 23 14.978 -10.264 10.089 1.00 71.34 C ATOM 0 H LEU A 23 14.375 -10.993 12.894 1.00 63.12 H new ATOM 0 HA LEU A 23 16.280 -8.776 12.706 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.377 -9.223 11.992 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.045 -7.605 12.057 1.00 24.31 H new ATOM 0 HG LEU A 23 14.034 -8.377 9.778 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.421 -8.141 9.211 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.920 -6.971 10.454 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.848 -8.417 10.916 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.328 -10.348 9.060 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.714 -10.708 10.760 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.028 -10.789 10.193 1.00 71.34 H new ATOM 347 N ASN A 24 15.119 -7.147 14.405 1.00 45.20 N ATOM 348 CA ASN A 24 14.802 -6.409 15.623 1.00 65.04 C ATOM 349 C ASN A 24 13.669 -5.419 15.380 1.00 22.23 C ATOM 350 O ASN A 24 13.081 -5.385 14.299 1.00 61.52 O ATOM 351 CB ASN A 24 16.041 -5.669 16.133 1.00 25.14 C ATOM 352 CG ASN A 24 17.319 -6.454 15.905 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.382 -7.652 16.184 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.343 -5.781 15.396 1.00 12.31 N ATOM 0 H ASN A 24 15.516 -6.577 13.658 1.00 45.20 H new ATOM 0 HA ASN A 24 14.478 -7.125 16.378 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.116 -4.704 15.632 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.927 -5.467 17.198 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.229 -6.256 15.220 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.245 -4.789 15.180 1.00 12.31 H new ATOM 361 N ASP A 25 13.367 -4.613 16.392 1.00 44.23 N ATOM 362 CA ASP A 25 12.305 -3.619 16.289 1.00 34.40 C ATOM 363 C ASP A 25 12.624 -2.593 15.206 1.00 23.34 C ATOM 364 O ASP A 25 11.737 -2.145 14.482 1.00 45.40 O ATOM 365 CB ASP A 25 12.102 -2.916 17.632 1.00 1.51 C ATOM 366 CG ASP A 25 12.190 -3.873 18.805 1.00 64.32 C ATOM 367 OD1 ASP A 25 11.259 -4.685 18.980 1.00 20.14 O ATOM 368 OD2 ASP A 25 13.192 -3.808 19.549 1.00 24.33 O ATOM 0 H ASP A 25 13.843 -4.629 17.294 1.00 44.23 H new ATOM 0 HA ASP A 25 11.384 -4.135 16.016 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.853 -2.135 17.747 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.128 -2.426 17.639 1.00 1.51 H new ATOM 373 N GLU A 26 13.897 -2.223 15.106 1.00 23.44 N ATOM 374 CA GLU A 26 14.332 -1.248 14.113 1.00 51.55 C ATOM 375 C GLU A 26 14.265 -1.836 12.706 1.00 41.22 C ATOM 376 O GLU A 26 13.761 -1.200 11.781 1.00 64.53 O ATOM 377 CB GLU A 26 15.757 -0.782 14.414 1.00 23.33 C ATOM 378 CG GLU A 26 15.900 -0.087 15.758 1.00 11.13 C ATOM 379 CD GLU A 26 17.274 0.522 15.958 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.474 1.683 15.542 1.00 10.11 O ATOM 381 OE2 GLU A 26 18.149 -0.161 16.529 1.00 53.41 O ATOM 0 H GLU A 26 14.644 -2.583 15.700 1.00 23.44 H new ATOM 0 HA GLU A 26 13.659 -0.392 14.163 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.425 -1.643 14.387 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.082 -0.102 13.627 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.145 0.695 15.840 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.705 -0.804 16.556 1.00 11.13 H new ATOM 388 N GLN A 27 14.775 -3.054 12.555 1.00 43.14 N ATOM 389 CA GLN A 27 14.774 -3.727 11.261 1.00 70.43 C ATOM 390 C GLN A 27 13.349 -3.948 10.764 1.00 74.33 C ATOM 391 O GLN A 27 13.076 -3.852 9.568 1.00 70.11 O ATOM 392 CB GLN A 27 15.506 -5.067 11.359 1.00 60.33 C ATOM 393 CG GLN A 27 16.845 -4.978 12.074 1.00 35.01 C ATOM 394 CD GLN A 27 17.648 -3.761 11.658 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.526 -2.689 12.251 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.478 -3.921 10.633 1.00 31.11 N ATOM 0 H GLN A 27 15.194 -3.595 13.312 1.00 43.14 H new ATOM 0 HA GLN A 27 15.294 -3.088 10.547 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.871 -5.781 11.883 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.665 -5.459 10.354 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.677 -4.947 13.150 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.424 -5.878 11.868 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.548 -4.827 10.170 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.045 -3.138 10.309 1.00 31.11 H new ATOM 405 N LYS A 28 12.444 -4.244 11.690 1.00 33.40 N ATOM 406 CA LYS A 28 11.046 -4.478 11.348 1.00 0.31 C ATOM 407 C LYS A 28 10.341 -3.168 11.012 1.00 73.13 C ATOM 408 O LYS A 28 9.337 -3.158 10.301 1.00 33.23 O ATOM 409 CB LYS A 28 10.325 -5.175 12.504 1.00 10.45 C ATOM 410 CG LYS A 28 10.662 -6.651 12.630 1.00 2.22 C ATOM 411 CD LYS A 28 9.525 -7.431 13.268 1.00 53.25 C ATOM 412 CE LYS A 28 9.541 -7.299 14.783 1.00 14.30 C ATOM 413 NZ LYS A 28 8.915 -6.026 15.236 1.00 1.02 N ATOM 0 H LYS A 28 12.654 -4.328 12.685 1.00 33.40 H new ATOM 0 HA LYS A 28 11.017 -5.122 10.469 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.580 -4.672 13.437 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.249 -5.067 12.368 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.877 -7.061 11.643 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.566 -6.769 13.228 1.00 2.22 H new ATOM 0 HD2 LYS A 28 8.572 -7.070 12.880 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.604 -8.483 12.992 1.00 53.25 H new ATOM 0 HE2 LYS A 28 9.011 -8.142 15.226 1.00 14.30 H new ATOM 0 HE3 LYS A 28 10.570 -7.345 15.141 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 8.472 -6.169 16.166 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.644 -5.288 15.310 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.192 -5.731 14.549 1.00 1.02 H new ATOM 427 N GLN A 29 10.875 -2.065 11.527 1.00 54.00 N ATOM 428 CA GLN A 29 10.297 -0.749 11.280 1.00 31.22 C ATOM 429 C GLN A 29 10.873 -0.131 10.010 1.00 50.15 C ATOM 430 O GLN A 29 10.211 0.660 9.339 1.00 72.44 O ATOM 431 CB GLN A 29 10.552 0.175 12.472 1.00 30.00 C ATOM 432 CG GLN A 29 9.739 -0.187 13.707 1.00 61.43 C ATOM 433 CD GLN A 29 8.422 0.560 13.778 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.000 1.191 12.808 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.765 0.492 14.929 1.00 52.22 N ATOM 0 H GLN A 29 11.707 -2.056 12.118 1.00 54.00 H new ATOM 0 HA GLN A 29 9.222 -0.871 11.147 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.612 0.146 12.724 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.321 1.200 12.183 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.545 -1.260 13.708 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.325 0.031 14.600 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.152 -0.043 15.707 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.873 0.974 15.036 1.00 52.22 H new ATOM 444 N ILE A 30 12.109 -0.497 9.688 1.00 2.02 N ATOM 445 CA ILE A 30 12.773 0.021 8.499 1.00 13.22 C ATOM 446 C ILE A 30 12.700 -0.978 7.349 1.00 11.13 C ATOM 447 O ILE A 30 13.507 -0.931 6.419 1.00 22.43 O ATOM 448 CB ILE A 30 14.250 0.357 8.780 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.016 -0.905 9.179 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.354 1.414 9.870 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.834 -1.497 8.053 1.00 63.02 C ATOM 0 H ILE A 30 12.671 -1.150 10.234 1.00 2.02 H new ATOM 0 HA ILE A 30 12.249 0.934 8.217 1.00 13.22 H new ATOM 0 HB ILE A 30 14.696 0.757 7.869 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.677 -0.670 10.013 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.307 -1.653 9.535 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.403 1.641 10.058 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.839 2.319 9.549 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.895 1.040 10.785 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.350 -2.389 8.408 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.176 -1.764 7.226 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.567 -0.766 7.712 1.00 63.02 H new ATOM 463 N LEU A 31 11.729 -1.880 7.418 1.00 64.14 N ATOM 464 CA LEU A 31 11.549 -2.890 6.381 1.00 21.12 C ATOM 465 C LEU A 31 10.482 -2.459 5.380 1.00 14.43 C ATOM 466 O LEU A 31 9.560 -1.718 5.719 1.00 1.54 O ATOM 467 CB LEU A 31 11.161 -4.230 7.009 1.00 41.11 C ATOM 468 CG LEU A 31 11.905 -5.459 6.483 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.087 -6.487 7.589 1.00 40.33 C ATOM 470 CD2 LEU A 31 11.162 -6.067 5.303 1.00 12.21 C ATOM 0 H LEU A 31 11.054 -1.933 8.181 1.00 64.14 H new ATOM 0 HA LEU A 31 12.495 -3.003 5.851 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.323 -4.165 8.085 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.093 -4.384 6.857 1.00 41.11 H new ATOM 0 HG LEU A 31 12.892 -5.145 6.142 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.618 -7.354 7.196 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.663 -6.047 8.403 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.111 -6.798 7.961 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.705 -6.940 4.942 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.162 -6.366 5.618 1.00 12.21 H new ATOM 0 HD23 LEU A 31 11.085 -5.331 4.503 1.00 12.21 H new ATOM 482 N SER A 32 10.614 -2.929 4.143 1.00 11.55 N ATOM 483 CA SER A 32 9.664 -2.591 3.091 1.00 52.24 C ATOM 484 C SER A 32 9.659 -3.656 1.999 1.00 35.45 C ATOM 485 O SER A 32 10.613 -4.419 1.857 1.00 30.51 O ATOM 486 CB SER A 32 10.004 -1.227 2.486 1.00 52.12 C ATOM 487 OG SER A 32 9.626 -1.166 1.122 1.00 54.11 O ATOM 0 H SER A 32 11.370 -3.545 3.846 1.00 11.55 H new ATOM 0 HA SER A 32 8.670 -2.547 3.535 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.494 -0.441 3.043 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.074 -1.041 2.579 1.00 52.12 H new ATOM 0 HG SER A 32 9.852 -0.284 0.759 1.00 54.11 H new ATOM 493 N GLY A 33 8.575 -3.702 1.230 1.00 1.31 N ATOM 494 CA GLY A 33 8.464 -4.678 0.161 1.00 55.30 C ATOM 495 C GLY A 33 9.492 -4.459 -0.932 1.00 2.44 C ATOM 496 O GLY A 33 10.006 -5.416 -1.512 1.00 22.34 O ATOM 0 H GLY A 33 7.772 -3.081 1.328 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.584 -5.680 0.574 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.464 -4.629 -0.270 1.00 55.30 H new ATOM 500 N THR A 34 9.792 -3.195 -1.216 1.00 51.35 N ATOM 501 CA THR A 34 10.763 -2.853 -2.248 1.00 3.10 C ATOM 502 C THR A 34 12.146 -2.629 -1.649 1.00 64.01 C ATOM 503 O THR A 34 12.878 -1.733 -2.069 1.00 73.14 O ATOM 504 CB THR A 34 10.339 -1.589 -3.020 1.00 42.35 C ATOM 505 OG1 THR A 34 10.509 -0.431 -2.195 1.00 2.24 O ATOM 506 CG2 THR A 34 8.889 -1.690 -3.470 1.00 32.33 C ATOM 0 H THR A 34 9.376 -2.391 -0.745 1.00 51.35 H new ATOM 0 HA THR A 34 10.802 -3.696 -2.938 1.00 3.10 H new ATOM 0 HB THR A 34 10.971 -1.501 -3.904 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.239 0.368 -2.694 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.613 -0.786 -4.013 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.770 -2.555 -4.122 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.244 -1.801 -2.598 1.00 32.33 H new ATOM 514 N THR A 35 12.500 -3.451 -0.666 1.00 44.01 N ATOM 515 CA THR A 35 13.798 -3.342 -0.009 1.00 42.43 C ATOM 516 C THR A 35 14.531 -4.678 -0.016 1.00 0.31 C ATOM 517 O THR A 35 14.191 -5.588 0.740 1.00 42.14 O ATOM 518 CB THR A 35 13.651 -2.857 1.445 1.00 23.32 C ATOM 519 OG1 THR A 35 13.038 -1.563 1.470 1.00 14.23 O ATOM 520 CG2 THR A 35 15.006 -2.795 2.133 1.00 52.31 C ATOM 0 H THR A 35 11.907 -4.199 -0.307 1.00 44.01 H new ATOM 0 HA THR A 35 14.378 -2.610 -0.572 1.00 42.43 H new ATOM 0 HB THR A 35 13.021 -3.567 1.980 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.229 -1.127 2.327 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.878 -2.450 3.159 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.457 -3.787 2.138 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.655 -2.103 1.596 1.00 52.31 H new ATOM 528 N ASN A 36 15.539 -4.791 -0.875 1.00 22.34 N ATOM 529 CA ASN A 36 16.321 -6.017 -0.980 1.00 3.42 C ATOM 530 C ASN A 36 16.884 -6.421 0.379 1.00 24.22 C ATOM 531 O ASN A 36 17.854 -5.834 0.861 1.00 54.35 O ATOM 532 CB ASN A 36 17.461 -5.836 -1.984 1.00 23.01 C ATOM 533 CG ASN A 36 17.875 -7.143 -2.631 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.566 -8.224 -2.126 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.578 -7.051 -3.754 1.00 21.54 N ATOM 0 H ASN A 36 15.833 -4.048 -1.509 1.00 22.34 H new ATOM 0 HA ASN A 36 15.661 -6.810 -1.330 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.152 -5.133 -2.757 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.320 -5.396 -1.478 1.00 23.01 H new ATOM 0 HD21 ASN A 36 18.885 -7.897 -4.234 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.811 -6.134 -4.136 1.00 21.54 H new ATOM 542 N LEU A 37 16.271 -7.427 0.993 1.00 42.04 N ATOM 543 CA LEU A 37 16.711 -7.910 2.297 1.00 41.12 C ATOM 544 C LEU A 37 18.097 -8.542 2.204 1.00 34.43 C ATOM 545 O LEU A 37 18.763 -8.752 3.217 1.00 41.43 O ATOM 546 CB LEU A 37 15.711 -8.927 2.850 1.00 32.32 C ATOM 547 CG LEU A 37 14.235 -8.545 2.739 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.350 -9.699 3.185 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.943 -7.299 3.562 1.00 73.30 C ATOM 0 H LEU A 37 15.468 -7.924 0.609 1.00 42.04 H new ATOM 0 HA LEU A 37 16.765 -7.057 2.974 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.861 -9.873 2.330 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.943 -9.100 3.901 1.00 32.32 H new ATOM 0 HG LEU A 37 14.014 -8.326 1.694 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.303 -9.409 3.099 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.539 -10.567 2.554 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.573 -9.949 4.222 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.888 -7.042 3.471 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.181 -7.490 4.608 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.551 -6.471 3.197 1.00 73.30 H new ATOM 561 N ALA A 38 18.525 -8.839 0.982 1.00 11.43 N ATOM 562 CA ALA A 38 19.833 -9.442 0.756 1.00 64.01 C ATOM 563 C ALA A 38 20.944 -8.405 0.881 1.00 74.52 C ATOM 564 O ALA A 38 21.938 -8.624 1.573 1.00 11.43 O ATOM 565 CB ALA A 38 19.879 -10.106 -0.612 1.00 72.25 C ATOM 0 H ALA A 38 17.985 -8.672 0.133 1.00 11.43 H new ATOM 0 HA ALA A 38 19.993 -10.201 1.521 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.861 -10.552 -0.767 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.116 -10.882 -0.666 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.693 -9.360 -1.385 1.00 72.25 H new ATOM 571 N LYS A 39 20.771 -7.274 0.205 1.00 24.43 N ATOM 572 CA LYS A 39 21.758 -6.202 0.239 1.00 74.40 C ATOM 573 C LYS A 39 21.543 -5.304 1.453 1.00 20.11 C ATOM 574 O LYS A 39 22.486 -4.990 2.180 1.00 33.41 O ATOM 575 CB LYS A 39 21.683 -5.371 -1.043 1.00 32.01 C ATOM 576 CG LYS A 39 23.018 -4.780 -1.463 1.00 13.31 C ATOM 577 CD LYS A 39 22.934 -4.134 -2.836 1.00 0.14 C ATOM 578 CE LYS A 39 22.986 -5.173 -3.945 1.00 0.24 C ATOM 579 NZ LYS A 39 23.233 -4.552 -5.276 1.00 32.20 N ATOM 0 H LYS A 39 19.955 -7.076 -0.374 1.00 24.43 H new ATOM 0 HA LYS A 39 22.747 -6.654 0.314 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.302 -5.997 -1.850 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.966 -4.563 -0.901 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.336 -4.039 -0.730 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.776 -5.563 -1.474 1.00 13.31 H new ATOM 0 HD2 LYS A 39 22.009 -3.563 -2.914 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.756 -3.428 -2.958 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.774 -5.895 -3.729 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.046 -5.724 -3.970 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 23.261 -5.293 -6.005 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.468 -3.882 -5.494 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.142 -4.047 -5.260 1.00 32.20 H new ATOM 593 N ASP A 40 20.298 -4.894 1.667 1.00 63.34 N ATOM 594 CA ASP A 40 19.959 -4.034 2.795 1.00 12.34 C ATOM 595 C ASP A 40 20.493 -4.615 4.101 1.00 41.35 C ATOM 596 O ASP A 40 21.369 -4.032 4.740 1.00 11.14 O ATOM 597 CB ASP A 40 18.444 -3.850 2.887 1.00 60.32 C ATOM 598 CG ASP A 40 18.057 -2.602 3.655 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.112 -1.501 3.066 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.700 -2.724 4.845 1.00 43.03 O ATOM 0 H ASP A 40 19.506 -5.143 1.074 1.00 63.34 H new ATOM 0 HA ASP A 40 20.426 -3.063 2.632 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.026 -3.799 1.882 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.004 -4.722 3.371 1.00 60.32 H new ATOM 605 N PHE A 41 19.958 -5.766 4.492 1.00 51.23 N ATOM 606 CA PHE A 41 20.379 -6.426 5.723 1.00 55.34 C ATOM 607 C PHE A 41 21.700 -7.162 5.522 1.00 13.42 C ATOM 608 O PHE A 41 22.254 -7.732 6.462 1.00 4.32 O ATOM 609 CB PHE A 41 19.303 -7.405 6.197 1.00 32.53 C ATOM 610 CG PHE A 41 18.028 -6.736 6.624 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.040 -5.754 7.602 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.818 -7.087 6.048 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.868 -5.136 7.998 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.643 -6.473 6.440 1.00 63.51 C ATOM 615 CZ PHE A 41 15.669 -5.496 7.416 1.00 32.44 C ATOM 0 H PHE A 41 19.232 -6.262 3.975 1.00 51.23 H new ATOM 0 HA PHE A 41 20.523 -5.660 6.485 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.083 -8.108 5.393 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.695 -7.987 7.031 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.975 -5.468 8.060 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.792 -7.849 5.284 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.891 -4.373 8.762 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.706 -6.757 5.984 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.753 -5.014 7.723 1.00 32.44 H new ATOM 625 N ASN A 42 22.198 -7.145 4.290 1.00 62.01 N ATOM 626 CA ASN A 42 23.453 -7.812 3.964 1.00 43.41 C ATOM 627 C ASN A 42 23.408 -9.282 4.366 1.00 32.20 C ATOM 628 O ASN A 42 24.373 -9.818 4.916 1.00 14.03 O ATOM 629 CB ASN A 42 24.622 -7.116 4.665 1.00 74.50 C ATOM 630 CG ASN A 42 25.192 -5.975 3.843 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.325 -6.080 2.624 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.533 -4.879 4.509 1.00 71.31 N ATOM 0 H ASN A 42 21.752 -6.677 3.501 1.00 62.01 H new ATOM 0 HA ASN A 42 23.597 -7.753 2.885 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.288 -6.734 5.630 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.408 -7.844 4.865 1.00 74.50 H new ATOM 0 HD21 ASN A 42 25.923 -4.080 4.010 1.00 71.31 H new ATOM 0 HD22 ASN A 42 25.405 -4.836 5.520 1.00 71.31 H new ATOM 639 N LEU A 43 22.283 -9.932 4.090 1.00 0.14 N ATOM 640 CA LEU A 43 22.111 -11.342 4.421 1.00 4.12 C ATOM 641 C LEU A 43 23.234 -12.183 3.822 1.00 55.50 C ATOM 642 O LEU A 43 23.673 -11.940 2.698 1.00 12.51 O ATOM 643 CB LEU A 43 20.758 -11.844 3.917 1.00 2.23 C ATOM 644 CG LEU A 43 19.540 -11.443 4.750 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.265 -11.992 4.131 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.691 -11.930 6.184 1.00 61.35 C ATOM 0 H LEU A 43 21.475 -9.504 3.637 1.00 0.14 H new ATOM 0 HA LEU A 43 22.146 -11.441 5.506 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.614 -11.479 2.900 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.794 -12.932 3.863 1.00 2.23 H new ATOM 0 HG LEU A 43 19.474 -10.355 4.761 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.409 -11.696 4.738 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.150 -11.594 3.123 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.321 -13.080 4.088 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.815 -11.636 6.762 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.783 -13.016 6.192 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.583 -11.487 6.627 1.00 61.35 H new ATOM 658 N ASP A 44 23.693 -13.174 4.578 1.00 13.11 N ATOM 659 CA ASP A 44 24.762 -14.053 4.121 1.00 72.53 C ATOM 660 C ASP A 44 24.227 -15.098 3.146 1.00 75.24 C ATOM 661 O ASP A 44 23.040 -15.425 3.161 1.00 40.44 O ATOM 662 CB ASP A 44 25.429 -14.743 5.312 1.00 51.15 C ATOM 663 CG ASP A 44 26.829 -15.229 4.991 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.553 -14.513 4.269 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.200 -16.325 5.461 1.00 30.42 O ATOM 0 H ASP A 44 23.341 -13.389 5.511 1.00 13.11 H new ATOM 0 HA ASP A 44 25.503 -13.444 3.603 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.472 -14.050 6.152 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.818 -15.588 5.627 1.00 51.15 H new ATOM 670 N SER A 45 25.110 -15.616 2.299 1.00 65.32 N ATOM 671 CA SER A 45 24.725 -16.619 1.313 1.00 60.12 C ATOM 672 C SER A 45 24.053 -17.812 1.985 1.00 31.24 C ATOM 673 O SER A 45 23.253 -18.519 1.369 1.00 40.22 O ATOM 674 CB SER A 45 25.950 -17.088 0.526 1.00 63.42 C ATOM 675 OG SER A 45 25.575 -17.624 -0.732 1.00 12.42 O ATOM 0 H SER A 45 26.097 -15.358 2.275 1.00 65.32 H new ATOM 0 HA SER A 45 24.013 -16.162 0.626 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.634 -16.252 0.379 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.488 -17.842 1.100 1.00 63.42 H new ATOM 0 HG SER A 45 26.376 -17.915 -1.216 1.00 12.42 H new ATOM 681 N LEU A 46 24.382 -18.031 3.254 1.00 71.33 N ATOM 682 CA LEU A 46 23.811 -19.138 4.013 1.00 25.25 C ATOM 683 C LEU A 46 22.354 -18.861 4.367 1.00 62.14 C ATOM 684 O LEU A 46 21.483 -19.707 4.159 1.00 62.33 O ATOM 685 CB LEU A 46 24.621 -19.379 5.289 1.00 13.24 C ATOM 686 CG LEU A 46 26.134 -19.509 5.108 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.812 -19.756 6.447 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.460 -20.629 4.130 1.00 75.23 C ATOM 0 H LEU A 46 25.041 -17.456 3.779 1.00 71.33 H new ATOM 0 HA LEU A 46 23.851 -20.032 3.390 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.427 -18.558 5.979 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.252 -20.288 5.763 1.00 13.24 H new ATOM 0 HG LEU A 46 26.513 -18.573 4.698 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.888 -19.846 6.299 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.607 -18.922 7.118 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.428 -20.677 6.885 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.541 -20.707 4.013 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.067 -21.571 4.512 1.00 75.23 H new ATOM 0 HD23 LEU A 46 26.006 -20.412 3.163 1.00 75.23 H new ATOM 700 N ASP A 47 22.096 -17.672 4.900 1.00 2.12 N ATOM 701 CA ASP A 47 20.743 -17.282 5.280 1.00 55.22 C ATOM 702 C ASP A 47 19.791 -17.398 4.094 1.00 62.23 C ATOM 703 O ASP A 47 18.721 -17.997 4.199 1.00 64.30 O ATOM 704 CB ASP A 47 20.734 -15.852 5.820 1.00 35.55 C ATOM 705 CG ASP A 47 20.243 -15.776 7.252 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.208 -16.403 7.559 1.00 22.24 O ATOM 707 OD2 ASP A 47 20.894 -15.089 8.066 1.00 73.34 O ATOM 0 H ASP A 47 22.806 -16.962 5.079 1.00 2.12 H new ATOM 0 HA ASP A 47 20.403 -17.959 6.063 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.741 -15.439 5.762 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.098 -15.232 5.188 1.00 35.55 H new ATOM 712 N PHE A 48 20.187 -16.817 2.966 1.00 64.30 N ATOM 713 CA PHE A 48 19.368 -16.853 1.759 1.00 64.44 C ATOM 714 C PHE A 48 18.949 -18.283 1.428 1.00 11.41 C ATOM 715 O PHE A 48 17.806 -18.535 1.045 1.00 74.22 O ATOM 716 CB PHE A 48 20.132 -16.248 0.580 1.00 22.22 C ATOM 717 CG PHE A 48 19.241 -15.768 -0.530 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.614 -14.536 -0.449 1.00 63.45 C ATOM 719 CD2 PHE A 48 19.028 -16.552 -1.653 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.794 -14.092 -1.469 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.209 -16.113 -2.676 1.00 10.41 C ATOM 722 CZ PHE A 48 17.590 -14.882 -2.583 1.00 43.02 C ATOM 0 H PHE A 48 21.069 -16.316 2.862 1.00 64.30 H new ATOM 0 HA PHE A 48 18.470 -16.263 1.942 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.735 -15.413 0.938 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.822 -16.993 0.184 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.768 -13.915 0.421 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.507 -17.517 -1.729 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.313 -13.128 -1.395 1.00 14.24 H new ATOM 0 HE2 PHE A 48 18.053 -16.732 -3.547 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.948 -14.538 -3.380 1.00 43.02 H new ATOM 732 N VAL A 49 19.884 -19.217 1.579 1.00 31.14 N ATOM 733 CA VAL A 49 19.612 -20.621 1.297 1.00 4.02 C ATOM 734 C VAL A 49 18.455 -21.139 2.143 1.00 75.11 C ATOM 735 O VAL A 49 17.483 -21.681 1.618 1.00 13.45 O ATOM 736 CB VAL A 49 20.854 -21.495 1.556 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.534 -22.962 1.316 1.00 42.05 C ATOM 738 CG2 VAL A 49 22.014 -21.044 0.683 1.00 40.22 C ATOM 0 H VAL A 49 20.835 -19.026 1.895 1.00 31.14 H new ATOM 0 HA VAL A 49 19.343 -20.685 0.243 1.00 4.02 H new ATOM 0 HB VAL A 49 21.148 -21.378 2.599 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.423 -23.564 1.504 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.735 -23.275 1.988 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.214 -23.100 0.283 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.883 -21.672 0.879 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.734 -21.130 -0.367 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.258 -20.006 0.910 1.00 40.22 H new ATOM 748 N ASP A 50 18.565 -20.965 3.455 1.00 22.50 N ATOM 749 CA ASP A 50 17.526 -21.413 4.376 1.00 13.12 C ATOM 750 C ASP A 50 16.213 -20.683 4.110 1.00 71.13 C ATOM 751 O ASP A 50 15.132 -21.213 4.369 1.00 54.43 O ATOM 752 CB ASP A 50 17.966 -21.188 5.823 1.00 0.42 C ATOM 753 CG ASP A 50 18.990 -22.208 6.283 1.00 65.22 C ATOM 754 OD1 ASP A 50 20.194 -21.999 6.022 1.00 60.22 O ATOM 755 OD2 ASP A 50 18.587 -23.213 6.904 1.00 24.13 O ATOM 0 H ASP A 50 19.363 -20.517 3.905 1.00 22.50 H new ATOM 0 HA ASP A 50 17.367 -22.479 4.215 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.386 -20.187 5.920 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.094 -21.233 6.476 1.00 0.42 H new ATOM 760 N LEU A 51 16.315 -19.463 3.594 1.00 21.14 N ATOM 761 CA LEU A 51 15.136 -18.659 3.294 1.00 73.32 C ATOM 762 C LEU A 51 14.318 -19.288 2.171 1.00 12.04 C ATOM 763 O LEU A 51 13.142 -19.605 2.349 1.00 41.05 O ATOM 764 CB LEU A 51 15.548 -17.238 2.907 1.00 42.44 C ATOM 765 CG LEU A 51 15.584 -16.215 4.042 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.105 -14.877 3.540 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.202 -16.053 4.658 1.00 62.45 C ATOM 0 H LEU A 51 17.202 -19.009 3.375 1.00 21.14 H new ATOM 0 HA LEU A 51 14.517 -18.619 4.190 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.537 -17.280 2.452 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.860 -16.878 2.142 1.00 42.44 H new ATOM 0 HG LEU A 51 16.263 -16.580 4.812 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.123 -14.162 4.362 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.114 -15.004 3.147 1.00 12.25 H new ATOM 0 HD13 LEU A 51 15.452 -14.505 2.750 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.247 -15.321 5.464 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.502 -15.711 3.896 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.866 -17.011 5.056 1.00 62.45 H new ATOM 779 N ILE A 52 14.950 -19.467 1.016 1.00 42.41 N ATOM 780 CA ILE A 52 14.282 -20.062 -0.136 1.00 64.52 C ATOM 781 C ILE A 52 13.816 -21.481 0.172 1.00 62.04 C ATOM 782 O ILE A 52 12.735 -21.894 -0.248 1.00 73.21 O ATOM 783 CB ILE A 52 15.205 -20.092 -1.368 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.514 -20.812 -1.035 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.481 -18.678 -1.858 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.522 -20.783 -2.162 1.00 45.42 C ATOM 0 H ILE A 52 15.923 -19.209 0.853 1.00 42.41 H new ATOM 0 HA ILE A 52 13.416 -19.438 -0.357 1.00 64.52 H new ATOM 0 HB ILE A 52 14.704 -20.640 -2.166 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.957 -20.354 -0.150 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.295 -21.849 -0.781 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.135 -18.716 -2.729 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.541 -18.197 -2.130 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.965 -18.106 -1.066 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.425 -21.312 -1.856 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.098 -21.267 -3.042 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.770 -19.749 -2.401 1.00 45.42 H new ATOM 798 N MET A 53 14.638 -22.222 0.908 1.00 51.11 N ATOM 799 CA MET A 53 14.309 -23.594 1.274 1.00 32.40 C ATOM 800 C MET A 53 13.137 -23.629 2.250 1.00 13.42 C ATOM 801 O MET A 53 12.235 -24.457 2.122 1.00 74.24 O ATOM 802 CB MET A 53 15.525 -24.285 1.895 1.00 44.13 C ATOM 803 CG MET A 53 16.613 -24.620 0.888 1.00 25.10 C ATOM 804 SD MET A 53 17.307 -26.265 1.136 1.00 72.30 S ATOM 805 CE MET A 53 15.869 -27.289 0.823 1.00 3.12 C ATOM 0 H MET A 53 15.537 -21.895 1.262 1.00 51.11 H new ATOM 0 HA MET A 53 14.021 -24.127 0.368 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.943 -23.641 2.669 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.200 -25.203 2.385 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.203 -24.551 -0.120 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.410 -23.879 0.960 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.190 -28.268 0.466 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.299 -27.408 1.745 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.242 -26.815 0.067 1.00 3.12 H new ATOM 815 N SER A 54 13.156 -22.727 3.225 1.00 2.33 N ATOM 816 CA SER A 54 12.096 -22.658 4.225 1.00 62.54 C ATOM 817 C SER A 54 10.744 -22.401 3.567 1.00 44.30 C ATOM 818 O SER A 54 9.784 -23.142 3.782 1.00 20.01 O ATOM 819 CB SER A 54 12.397 -21.556 5.243 1.00 71.54 C ATOM 820 OG SER A 54 11.256 -21.265 6.031 1.00 73.12 O ATOM 0 H SER A 54 13.894 -22.033 3.345 1.00 2.33 H new ATOM 0 HA SER A 54 12.054 -23.618 4.740 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.219 -21.867 5.888 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.723 -20.655 4.723 1.00 71.54 H new ATOM 0 HG SER A 54 11.534 -20.816 6.857 1.00 73.12 H new ATOM 826 N LEU A 55 10.675 -21.346 2.762 1.00 14.25 N ATOM 827 CA LEU A 55 9.442 -20.990 2.071 1.00 10.24 C ATOM 828 C LEU A 55 9.050 -22.068 1.064 1.00 75.25 C ATOM 829 O LEU A 55 7.870 -22.377 0.899 1.00 71.11 O ATOM 830 CB LEU A 55 9.603 -19.646 1.359 1.00 41.14 C ATOM 831 CG LEU A 55 9.180 -18.411 2.153 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.609 -17.141 1.434 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.676 -18.413 2.384 1.00 42.13 C ATOM 0 H LEU A 55 11.459 -20.722 2.572 1.00 14.25 H new ATOM 0 HA LEU A 55 8.649 -20.908 2.815 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.649 -19.531 1.076 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.025 -19.675 0.436 1.00 41.14 H new ATOM 0 HG LEU A 55 9.676 -18.440 3.123 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.299 -16.272 2.014 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.693 -17.135 1.322 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.142 -17.105 0.450 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.394 -17.526 2.951 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.160 -18.409 1.424 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.395 -19.306 2.943 1.00 42.13 H new ATOM 845 N GLU A 56 10.049 -22.639 0.397 1.00 54.04 N ATOM 846 CA GLU A 56 9.808 -23.683 -0.590 1.00 2.32 C ATOM 847 C GLU A 56 9.026 -24.841 0.022 1.00 62.44 C ATOM 848 O GLU A 56 7.998 -25.260 -0.512 1.00 54.25 O ATOM 849 CB GLU A 56 11.134 -24.193 -1.160 1.00 1.43 C ATOM 850 CG GLU A 56 10.968 -25.289 -2.200 1.00 42.31 C ATOM 851 CD GLU A 56 12.234 -26.099 -2.398 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.152 -25.605 -3.086 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.307 -27.228 -1.869 1.00 62.11 O ATOM 0 H GLU A 56 11.032 -22.396 0.523 1.00 54.04 H new ATOM 0 HA GLU A 56 9.215 -23.254 -1.397 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.673 -23.358 -1.607 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.750 -24.569 -0.343 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.159 -25.954 -1.897 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.674 -24.842 -3.150 1.00 42.31 H new ATOM 860 N GLU A 57 9.519 -25.353 1.145 1.00 54.50 N ATOM 861 CA GLU A 57 8.866 -26.463 1.829 1.00 24.33 C ATOM 862 C GLU A 57 7.573 -26.007 2.497 1.00 63.24 C ATOM 863 O GLU A 57 6.618 -26.775 2.616 1.00 51.32 O ATOM 864 CB GLU A 57 9.806 -27.072 2.872 1.00 70.42 C ATOM 865 CG GLU A 57 10.096 -26.147 4.043 1.00 45.51 C ATOM 866 CD GLU A 57 10.918 -26.818 5.126 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.136 -27.002 4.918 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.344 -27.159 6.181 1.00 54.44 O ATOM 0 H GLU A 57 10.368 -25.017 1.600 1.00 54.50 H new ATOM 0 HA GLU A 57 8.621 -27.221 1.085 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.367 -27.996 3.249 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.746 -27.340 2.390 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.627 -25.266 3.682 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.155 -25.800 4.469 1.00 45.51 H new ATOM 875 N ARG A 58 7.551 -24.751 2.933 1.00 53.32 N ATOM 876 CA ARG A 58 6.377 -24.192 3.591 1.00 13.33 C ATOM 877 C ARG A 58 5.149 -24.291 2.691 1.00 74.53 C ATOM 878 O ARG A 58 4.125 -24.854 3.080 1.00 31.54 O ATOM 879 CB ARG A 58 6.627 -22.731 3.971 1.00 54.15 C ATOM 880 CG ARG A 58 5.438 -22.065 4.644 1.00 74.42 C ATOM 881 CD ARG A 58 5.357 -22.427 6.119 1.00 52.45 C ATOM 882 NE ARG A 58 6.585 -22.088 6.833 1.00 53.44 N ATOM 883 CZ ARG A 58 6.925 -20.848 7.163 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.134 -19.833 6.845 1.00 42.21 N ATOM 885 NH2 ARG A 58 8.059 -20.619 7.813 1.00 23.43 N ATOM 0 H ARG A 58 8.333 -24.102 2.842 1.00 53.32 H new ATOM 0 HA ARG A 58 6.190 -24.770 4.496 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.487 -22.680 4.639 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.887 -22.170 3.073 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.518 -20.983 4.538 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.519 -22.368 4.143 1.00 74.42 H new ATOM 0 HD2 ARG A 58 4.516 -21.904 6.575 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.162 -23.495 6.220 1.00 52.45 H new ATOM 0 HE ARG A 58 7.216 -22.846 7.092 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.261 -20.004 6.345 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.398 -18.881 7.100 1.00 42.21 H new ATOM 0 HH21 ARG A 58 8.671 -21.397 8.060 1.00 23.43 H new ATOM 0 HH22 ARG A 58 8.318 -19.665 8.066 1.00 23.43 H new ATOM 899 N PHE A 59 5.259 -23.743 1.486 1.00 13.35 N ATOM 900 CA PHE A 59 4.158 -23.768 0.531 1.00 45.43 C ATOM 901 C PHE A 59 4.355 -24.879 -0.497 1.00 63.14 C ATOM 902 O PHE A 59 3.653 -24.938 -1.505 1.00 53.21 O ATOM 903 CB PHE A 59 4.038 -22.418 -0.179 1.00 45.14 C ATOM 904 CG PHE A 59 3.564 -21.309 0.717 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.467 -20.574 1.468 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.216 -21.004 0.809 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.035 -19.553 2.293 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.778 -19.984 1.632 1.00 62.10 C ATOM 909 CZ PHE A 59 2.688 -19.258 2.376 1.00 34.21 C ATOM 0 H PHE A 59 6.100 -23.276 1.147 1.00 13.35 H new ATOM 0 HA PHE A 59 3.238 -23.964 1.082 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.008 -22.148 -0.595 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.348 -22.517 -1.017 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.521 -20.802 1.408 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.500 -21.569 0.231 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.749 -18.987 2.872 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.724 -19.754 1.694 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.347 -18.462 3.021 1.00 34.21 H new ATOM 919 N SER A 60 5.315 -25.759 -0.230 1.00 31.03 N ATOM 920 CA SER A 60 5.608 -26.867 -1.133 1.00 23.01 C ATOM 921 C SER A 60 5.812 -26.366 -2.560 1.00 74.45 C ATOM 922 O SER A 60 5.533 -27.077 -3.526 1.00 64.52 O ATOM 923 CB SER A 60 4.475 -27.894 -1.098 1.00 35.11 C ATOM 924 OG SER A 60 4.849 -29.088 -1.764 1.00 74.33 O ATOM 0 H SER A 60 5.903 -25.727 0.603 1.00 31.03 H new ATOM 0 HA SER A 60 6.530 -27.342 -0.798 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.214 -28.117 -0.064 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.585 -27.475 -1.568 1.00 35.11 H new ATOM 0 HG SER A 60 5.218 -28.869 -2.645 1.00 74.33 H new ATOM 930 N LEU A 61 6.300 -25.137 -2.684 1.00 21.40 N ATOM 931 CA LEU A 61 6.542 -24.538 -3.992 1.00 71.22 C ATOM 932 C LEU A 61 7.796 -25.122 -4.634 1.00 54.53 C ATOM 933 O LEU A 61 8.688 -25.613 -3.943 1.00 0.43 O ATOM 934 CB LEU A 61 6.682 -23.020 -3.863 1.00 74.25 C ATOM 935 CG LEU A 61 6.984 -22.261 -5.155 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.865 -22.462 -6.166 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.187 -20.780 -4.870 1.00 62.50 C ATOM 0 H LEU A 61 6.536 -24.536 -1.895 1.00 21.40 H new ATOM 0 HA LEU A 61 5.689 -24.765 -4.631 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.758 -22.625 -3.441 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.476 -22.808 -3.147 1.00 74.25 H new ATOM 0 HG LEU A 61 7.906 -22.658 -5.579 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.097 -21.914 -7.079 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.767 -23.523 -6.394 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.928 -22.092 -5.750 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.401 -20.256 -5.802 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.283 -20.368 -4.422 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.023 -20.653 -4.182 1.00 62.50 H new ATOM 949 N GLU A 62 7.856 -25.065 -5.962 1.00 64.11 N ATOM 950 CA GLU A 62 9.003 -25.588 -6.696 1.00 40.54 C ATOM 951 C GLU A 62 9.889 -24.452 -7.202 1.00 32.21 C ATOM 952 O GLU A 62 9.647 -23.891 -8.271 1.00 65.30 O ATOM 953 CB GLU A 62 8.533 -26.446 -7.874 1.00 3.23 C ATOM 954 CG GLU A 62 9.672 -27.048 -8.679 1.00 44.02 C ATOM 955 CD GLU A 62 9.834 -28.537 -8.436 1.00 2.22 C ATOM 956 OE1 GLU A 62 9.421 -29.009 -7.357 1.00 33.24 O ATOM 957 OE2 GLU A 62 10.374 -29.228 -9.324 1.00 32.41 O ATOM 0 H GLU A 62 7.126 -24.663 -6.550 1.00 64.11 H new ATOM 0 HA GLU A 62 9.588 -26.206 -6.015 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.900 -27.250 -7.498 1.00 3.23 H new ATOM 0 HB3 GLU A 62 7.915 -25.836 -8.533 1.00 3.23 H new ATOM 0 HG2 GLU A 62 9.494 -26.874 -9.740 1.00 44.02 H new ATOM 0 HG3 GLU A 62 10.601 -26.539 -8.424 1.00 44.02 H new ATOM 964 N ILE A 63 10.914 -24.120 -6.425 1.00 12.34 N ATOM 965 CA ILE A 63 11.837 -23.053 -6.794 1.00 13.42 C ATOM 966 C ILE A 63 13.130 -23.619 -7.371 1.00 50.35 C ATOM 967 O ILE A 63 13.654 -24.620 -6.880 1.00 1.03 O ATOM 968 CB ILE A 63 12.175 -22.159 -5.586 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.892 -21.706 -4.885 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.994 -20.957 -6.030 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.142 -20.939 -3.605 1.00 31.30 C ATOM 0 H ILE A 63 11.127 -24.574 -5.537 1.00 12.34 H new ATOM 0 HA ILE A 63 11.337 -22.451 -7.553 1.00 13.42 H new ATOM 0 HB ILE A 63 12.769 -22.738 -4.879 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.316 -21.081 -5.567 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.281 -22.581 -4.662 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.225 -20.335 -5.165 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.922 -21.298 -6.490 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.423 -20.375 -6.754 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.189 -20.650 -3.162 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.691 -21.569 -2.905 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.726 -20.045 -3.824 1.00 31.30 H new ATOM 983 N SER A 64 13.639 -22.972 -8.413 1.00 62.12 N ATOM 984 CA SER A 64 14.871 -23.411 -9.059 1.00 24.42 C ATOM 985 C SER A 64 16.003 -22.422 -8.801 1.00 43.13 C ATOM 986 O SER A 64 15.864 -21.498 -7.998 1.00 51.43 O ATOM 987 CB SER A 64 14.653 -23.574 -10.564 1.00 11.30 C ATOM 988 OG SER A 64 13.351 -24.061 -10.841 1.00 62.42 O ATOM 0 H SER A 64 13.218 -22.141 -8.829 1.00 62.12 H new ATOM 0 HA SER A 64 15.151 -24.375 -8.634 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.800 -22.615 -11.062 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.396 -24.261 -10.970 1.00 11.30 H new ATOM 0 HG SER A 64 12.741 -23.306 -10.974 1.00 62.42 H new ATOM 994 N ASP A 65 17.122 -22.620 -9.488 1.00 62.34 N ATOM 995 CA ASP A 65 18.279 -21.746 -9.335 1.00 23.42 C ATOM 996 C ASP A 65 18.059 -20.422 -10.062 1.00 74.13 C ATOM 997 O ASP A 65 18.309 -19.351 -9.511 1.00 54.05 O ATOM 998 CB ASP A 65 19.538 -22.431 -9.869 1.00 52.11 C ATOM 999 CG ASP A 65 20.366 -23.059 -8.765 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.060 -22.310 -8.044 1.00 61.43 O ATOM 1001 OD2 ASP A 65 20.322 -24.298 -8.623 1.00 71.50 O ATOM 0 H ASP A 65 17.253 -23.379 -10.157 1.00 62.34 H new ATOM 0 HA ASP A 65 18.410 -21.541 -8.273 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.253 -23.199 -10.588 1.00 52.11 H new ATOM 0 HB3 ASP A 65 20.145 -21.702 -10.405 1.00 52.11 H new ATOM 1006 N GLU A 66 17.590 -20.506 -11.303 1.00 21.54 N ATOM 1007 CA GLU A 66 17.338 -19.313 -12.105 1.00 3.53 C ATOM 1008 C GLU A 66 16.146 -18.533 -11.561 1.00 44.45 C ATOM 1009 O GLU A 66 16.100 -17.306 -11.652 1.00 51.24 O ATOM 1010 CB GLU A 66 17.086 -19.698 -13.566 1.00 13.04 C ATOM 1011 CG GLU A 66 18.322 -19.600 -14.443 1.00 65.22 C ATOM 1012 CD GLU A 66 17.988 -19.576 -15.922 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.486 -18.537 -16.400 1.00 75.31 O ATOM 1014 OE2 GLU A 66 18.228 -20.596 -16.600 1.00 23.41 O ATOM 0 H GLU A 66 17.377 -21.385 -11.774 1.00 21.54 H new ATOM 0 HA GLU A 66 18.221 -18.677 -12.051 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.704 -20.718 -13.603 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.309 -19.052 -13.974 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.875 -18.697 -14.185 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.978 -20.446 -14.236 1.00 65.22 H new ATOM 1021 N ASP A 67 15.183 -19.253 -10.995 1.00 50.34 N ATOM 1022 CA ASP A 67 13.991 -18.629 -10.434 1.00 4.40 C ATOM 1023 C ASP A 67 14.363 -17.618 -9.354 1.00 63.04 C ATOM 1024 O ASP A 67 13.855 -16.498 -9.337 1.00 63.01 O ATOM 1025 CB ASP A 67 13.057 -19.693 -9.855 1.00 31.35 C ATOM 1026 CG ASP A 67 12.678 -20.748 -10.875 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.959 -20.542 -12.074 1.00 23.01 O ATOM 1028 OD2 ASP A 67 12.100 -21.780 -10.476 1.00 3.12 O ATOM 0 H ASP A 67 15.205 -20.269 -10.913 1.00 50.34 H new ATOM 0 HA ASP A 67 13.475 -18.102 -11.237 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.540 -20.172 -9.004 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.153 -19.213 -9.480 1.00 31.35 H new ATOM 1033 N ALA A 68 15.252 -18.023 -8.453 1.00 50.52 N ATOM 1034 CA ALA A 68 15.692 -17.153 -7.369 1.00 14.12 C ATOM 1035 C ALA A 68 16.518 -15.987 -7.903 1.00 75.14 C ATOM 1036 O ALA A 68 16.624 -14.945 -7.258 1.00 20.01 O ATOM 1037 CB ALA A 68 16.494 -17.947 -6.348 1.00 45.43 C ATOM 0 H ALA A 68 15.682 -18.948 -8.452 1.00 50.52 H new ATOM 0 HA ALA A 68 14.807 -16.744 -6.881 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.816 -17.285 -5.544 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.873 -18.742 -5.936 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.368 -18.383 -6.831 1.00 45.43 H new ATOM 1043 N GLN A 69 17.101 -16.172 -9.083 1.00 33.43 N ATOM 1044 CA GLN A 69 17.918 -15.135 -9.702 1.00 50.50 C ATOM 1045 C GLN A 69 17.107 -13.863 -9.926 1.00 42.43 C ATOM 1046 O GLN A 69 17.665 -12.776 -10.071 1.00 20.02 O ATOM 1047 CB GLN A 69 18.489 -15.631 -11.032 1.00 42.55 C ATOM 1048 CG GLN A 69 19.992 -15.450 -11.155 1.00 42.41 C ATOM 1049 CD GLN A 69 20.370 -14.132 -11.802 1.00 21.43 C ATOM 1050 OE1 GLN A 69 19.710 -13.674 -12.735 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.438 -13.516 -11.310 1.00 70.11 N ATOM 0 H GLN A 69 17.023 -17.030 -9.629 1.00 33.43 H new ATOM 0 HA GLN A 69 18.741 -14.905 -9.025 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.248 -16.688 -11.150 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.000 -15.100 -11.848 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.443 -15.507 -10.164 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.406 -16.270 -11.741 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.955 -13.932 -10.536 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.741 -12.626 -11.706 1.00 70.11 H new ATOM 1060 N LYS A 70 15.786 -14.008 -9.952 1.00 74.45 N ATOM 1061 CA LYS A 70 14.896 -12.870 -10.157 1.00 1.53 C ATOM 1062 C LYS A 70 14.107 -12.562 -8.890 1.00 1.43 C ATOM 1063 O LYS A 70 13.159 -11.776 -8.912 1.00 51.12 O ATOM 1064 CB LYS A 70 13.936 -13.150 -11.314 1.00 34.22 C ATOM 1065 CG LYS A 70 12.998 -14.317 -11.057 1.00 63.44 C ATOM 1066 CD LYS A 70 11.653 -14.112 -11.734 1.00 33.11 C ATOM 1067 CE LYS A 70 10.843 -13.024 -11.045 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.899 -12.357 -11.984 1.00 44.31 N ATOM 0 H LYS A 70 15.308 -14.901 -9.834 1.00 74.45 H new ATOM 0 HA LYS A 70 15.507 -12.002 -10.403 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.345 -12.255 -11.509 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.515 -13.352 -12.215 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.453 -15.238 -11.422 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.851 -14.437 -9.984 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.807 -13.845 -12.780 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.092 -15.047 -11.723 1.00 33.11 H new ATOM 0 HE2 LYS A 70 10.284 -13.457 -10.215 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.519 -12.281 -10.621 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.366 -11.622 -11.477 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 10.434 -11.922 -12.763 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.237 -13.061 -12.369 1.00 44.31 H new ATOM 1082 N LEU A 71 14.502 -13.187 -7.785 1.00 13.15 N ATOM 1083 CA LEU A 71 13.831 -12.978 -6.507 1.00 10.42 C ATOM 1084 C LEU A 71 14.819 -12.508 -5.444 1.00 61.30 C ATOM 1085 O LEU A 71 15.478 -13.318 -4.794 1.00 61.23 O ATOM 1086 CB LEU A 71 13.149 -14.268 -6.050 1.00 23.55 C ATOM 1087 CG LEU A 71 12.174 -14.900 -7.043 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.693 -16.251 -6.534 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.994 -13.973 -7.296 1.00 12.53 C ATOM 0 H LEU A 71 15.283 -13.842 -7.749 1.00 13.15 H new ATOM 0 HA LEU A 71 13.076 -12.204 -6.643 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.922 -15.000 -5.814 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.611 -14.063 -5.124 1.00 23.55 H new ATOM 0 HG LEU A 71 12.697 -15.056 -7.986 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.000 -16.685 -7.254 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.547 -16.916 -6.405 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.187 -16.120 -5.577 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.310 -14.439 -8.005 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.471 -13.785 -6.358 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.354 -13.029 -7.706 1.00 12.53 H new ATOM 1101 N GLU A 72 14.913 -11.193 -5.272 1.00 14.33 N ATOM 1102 CA GLU A 72 15.819 -10.615 -4.286 1.00 73.52 C ATOM 1103 C GLU A 72 15.054 -9.771 -3.272 1.00 43.43 C ATOM 1104 O GLU A 72 15.371 -9.768 -2.082 1.00 73.12 O ATOM 1105 CB GLU A 72 16.883 -9.761 -4.978 1.00 41.34 C ATOM 1106 CG GLU A 72 16.306 -8.690 -5.890 1.00 21.33 C ATOM 1107 CD GLU A 72 17.377 -7.828 -6.529 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.460 -8.364 -6.846 1.00 52.00 O ATOM 1109 OE2 GLU A 72 17.133 -6.617 -6.712 1.00 42.31 O ATOM 0 H GLU A 72 14.374 -10.509 -5.802 1.00 14.33 H new ATOM 0 HA GLU A 72 16.307 -11.433 -3.756 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.504 -9.284 -4.220 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.535 -10.411 -5.562 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.713 -9.165 -6.672 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.629 -8.056 -5.317 1.00 21.33 H new ATOM 1116 N THR A 73 14.042 -9.053 -3.751 1.00 72.44 N ATOM 1117 CA THR A 73 13.232 -8.202 -2.888 1.00 4.34 C ATOM 1118 C THR A 73 11.999 -8.944 -2.388 1.00 12.00 C ATOM 1119 O THR A 73 11.507 -9.865 -3.042 1.00 42.34 O ATOM 1120 CB THR A 73 12.787 -6.921 -3.619 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.017 -7.262 -4.778 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.990 -6.087 -4.031 1.00 4.33 C ATOM 0 H THR A 73 13.764 -9.044 -4.732 1.00 72.44 H new ATOM 0 HA THR A 73 13.857 -7.927 -2.038 1.00 4.34 H new ATOM 0 HB THR A 73 12.175 -6.333 -2.936 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.736 -6.443 -5.237 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.650 -5.188 -4.545 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.558 -5.805 -3.145 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.625 -6.669 -4.699 1.00 4.33 H new ATOM 1130 N VAL A 74 11.499 -8.536 -1.226 1.00 44.25 N ATOM 1131 CA VAL A 74 10.320 -9.161 -0.638 1.00 71.10 C ATOM 1132 C VAL A 74 9.175 -9.225 -1.643 1.00 60.12 C ATOM 1133 O VAL A 74 8.600 -10.289 -1.878 1.00 22.51 O ATOM 1134 CB VAL A 74 9.847 -8.401 0.615 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.674 -9.120 1.265 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.993 -8.234 1.601 1.00 34.04 C ATOM 0 H VAL A 74 11.892 -7.775 -0.673 1.00 44.25 H new ATOM 0 HA VAL A 74 10.607 -10.173 -0.352 1.00 71.10 H new ATOM 0 HB VAL A 74 9.511 -7.409 0.312 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.354 -8.568 2.149 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.848 -9.182 0.557 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.979 -10.125 1.556 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.641 -7.695 2.480 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.361 -9.215 1.900 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.799 -7.672 1.130 1.00 34.04 H new ATOM 1146 N ASP A 75 8.848 -8.081 -2.233 1.00 22.54 N ATOM 1147 CA ASP A 75 7.771 -8.006 -3.214 1.00 40.14 C ATOM 1148 C ASP A 75 7.985 -9.020 -4.333 1.00 70.00 C ATOM 1149 O ASP A 75 7.045 -9.681 -4.773 1.00 42.53 O ATOM 1150 CB ASP A 75 7.681 -6.596 -3.798 1.00 63.23 C ATOM 1151 CG ASP A 75 6.339 -6.323 -4.449 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.403 -5.914 -3.730 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.226 -6.517 -5.676 1.00 23.41 O ATOM 0 H ASP A 75 9.313 -7.192 -2.049 1.00 22.54 H new ATOM 0 HA ASP A 75 6.835 -8.241 -2.708 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.853 -5.867 -3.006 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.473 -6.460 -4.534 1.00 63.23 H new ATOM 1158 N ASP A 76 9.227 -9.138 -4.790 1.00 53.01 N ATOM 1159 CA ASP A 76 9.565 -10.071 -5.857 1.00 32.13 C ATOM 1160 C ASP A 76 9.325 -11.511 -5.416 1.00 4.15 C ATOM 1161 O ASP A 76 8.669 -12.284 -6.116 1.00 73.03 O ATOM 1162 CB ASP A 76 11.024 -9.890 -6.279 1.00 73.52 C ATOM 1163 CG ASP A 76 11.225 -8.674 -7.162 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.391 -7.746 -7.093 1.00 14.20 O ATOM 1165 OD2 ASP A 76 12.215 -8.650 -7.923 1.00 43.24 O ATOM 0 H ASP A 76 10.017 -8.598 -4.437 1.00 53.01 H new ATOM 0 HA ASP A 76 8.920 -9.859 -6.709 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.647 -9.797 -5.390 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.359 -10.781 -6.811 1.00 73.52 H new ATOM 1170 N ILE A 77 9.861 -11.866 -4.253 1.00 33.41 N ATOM 1171 CA ILE A 77 9.705 -13.213 -3.719 1.00 42.01 C ATOM 1172 C ILE A 77 8.235 -13.546 -3.489 1.00 14.23 C ATOM 1173 O ILE A 77 7.723 -14.537 -4.011 1.00 4.43 O ATOM 1174 CB ILE A 77 10.472 -13.386 -2.396 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.949 -13.033 -2.587 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.324 -14.810 -1.880 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.704 -12.870 -1.286 1.00 0.20 C ATOM 0 H ILE A 77 10.407 -11.239 -3.662 1.00 33.41 H new ATOM 0 HA ILE A 77 10.118 -13.896 -4.461 1.00 42.01 H new ATOM 0 HB ILE A 77 10.049 -12.707 -1.656 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.427 -13.813 -3.180 1.00 31.21 H new ATOM 0 HG13 ILE A 77 12.022 -12.108 -3.159 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.872 -14.917 -0.944 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.270 -15.028 -1.710 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.724 -15.507 -2.616 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.744 -12.621 -1.498 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.251 -12.070 -0.700 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.662 -13.802 -0.722 1.00 0.20 H new ATOM 1189 N CYS A 78 7.561 -12.711 -2.706 1.00 61.25 N ATOM 1190 CA CYS A 78 6.147 -12.916 -2.408 1.00 2.14 C ATOM 1191 C CYS A 78 5.327 -13.004 -3.691 1.00 72.24 C ATOM 1192 O CYS A 78 4.397 -13.804 -3.791 1.00 42.05 O ATOM 1193 CB CYS A 78 5.620 -11.781 -1.528 1.00 33.40 C ATOM 1194 SG CYS A 78 4.003 -12.109 -0.790 1.00 42.35 S ATOM 0 H CYS A 78 7.970 -11.886 -2.266 1.00 61.25 H new ATOM 0 HA CYS A 78 6.048 -13.859 -1.870 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.339 -11.590 -0.731 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.557 -10.872 -2.126 1.00 33.40 H new ATOM 0 HG CYS A 78 3.332 -12.917 -1.556 1.00 42.35 H new ATOM 1200 N ARG A 79 5.678 -12.176 -4.668 1.00 42.12 N ATOM 1201 CA ARG A 79 4.973 -12.158 -5.945 1.00 32.51 C ATOM 1202 C ARG A 79 5.138 -13.487 -6.676 1.00 62.11 C ATOM 1203 O ARG A 79 4.175 -14.038 -7.209 1.00 54.33 O ATOM 1204 CB ARG A 79 5.488 -11.014 -6.820 1.00 34.14 C ATOM 1205 CG ARG A 79 4.989 -11.073 -8.255 1.00 33.33 C ATOM 1206 CD ARG A 79 4.417 -9.738 -8.701 1.00 43.34 C ATOM 1207 NE ARG A 79 4.285 -9.655 -10.154 1.00 64.15 N ATOM 1208 CZ ARG A 79 3.645 -8.674 -10.779 1.00 42.12 C ATOM 1209 NH1 ARG A 79 3.083 -7.695 -10.083 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.569 -8.669 -12.104 1.00 72.00 N ATOM 0 H ARG A 79 6.446 -11.508 -4.601 1.00 42.12 H new ATOM 0 HA ARG A 79 3.913 -12.003 -5.744 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.185 -10.065 -6.378 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.578 -11.032 -6.822 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.809 -11.358 -8.915 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.225 -11.845 -8.344 1.00 33.33 H new ATOM 0 HD2 ARG A 79 3.441 -9.590 -8.240 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.061 -8.932 -8.349 1.00 43.34 H new ATOM 0 HE ARG A 79 4.708 -10.391 -10.719 1.00 64.15 H new ATOM 0 HH11 ARG A 79 3.142 -7.694 -9.065 1.00 41.13 H new ATOM 0 HH12 ARG A 79 2.592 -6.943 -10.566 1.00 41.13 H new ATOM 0 HH21 ARG A 79 4.002 -9.419 -12.643 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.077 -7.915 -12.584 1.00 72.00 H new ATOM 1224 N TYR A 80 6.366 -13.996 -6.698 1.00 65.34 N ATOM 1225 CA TYR A 80 6.658 -15.258 -7.365 1.00 50.23 C ATOM 1226 C TYR A 80 5.927 -16.414 -6.689 1.00 33.42 C ATOM 1227 O TYR A 80 5.450 -17.335 -7.354 1.00 3.40 O ATOM 1228 CB TYR A 80 8.164 -15.522 -7.364 1.00 55.12 C ATOM 1229 CG TYR A 80 8.535 -16.914 -7.827 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.582 -17.975 -6.931 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.840 -17.166 -9.158 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.921 -19.247 -7.348 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.179 -18.437 -9.584 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.219 -19.473 -8.676 1.00 53.44 C ATOM 1235 OH TYR A 80 9.556 -20.739 -9.097 1.00 12.11 O ATOM 0 H TYR A 80 7.174 -13.553 -6.261 1.00 65.34 H new ATOM 0 HA TYR A 80 6.309 -15.185 -8.395 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.653 -14.791 -8.008 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.551 -15.368 -6.357 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.349 -17.802 -5.891 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.812 -16.356 -9.872 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.953 -20.061 -6.638 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.411 -18.617 -10.623 1.00 4.04 H new ATOM 0 HH TYR A 80 10.467 -20.732 -9.458 1.00 12.11 H new ATOM 1245 N ILE A 81 5.843 -16.358 -5.365 1.00 75.45 N ATOM 1246 CA ILE A 81 5.169 -17.399 -4.599 1.00 44.21 C ATOM 1247 C ILE A 81 3.654 -17.286 -4.732 1.00 45.44 C ATOM 1248 O ILE A 81 2.952 -18.294 -4.822 1.00 63.42 O ATOM 1249 CB ILE A 81 5.547 -17.335 -3.107 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.057 -17.508 -2.933 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.793 -18.398 -2.322 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.528 -17.321 -1.508 1.00 20.45 C ATOM 0 H ILE A 81 6.233 -15.603 -4.800 1.00 75.45 H new ATOM 0 HA ILE A 81 5.498 -18.354 -5.009 1.00 44.21 H new ATOM 0 HB ILE A 81 5.265 -16.356 -2.718 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.342 -18.504 -3.273 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.572 -16.793 -3.574 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.071 -18.339 -1.270 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.720 -18.233 -2.423 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.046 -19.385 -2.710 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.608 -17.458 -1.461 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.275 -16.316 -1.170 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.041 -18.054 -0.865 1.00 20.45 H new ATOM 1264 N ALA A 82 3.156 -16.054 -4.747 1.00 24.44 N ATOM 1265 CA ALA A 82 1.725 -15.809 -4.874 1.00 74.32 C ATOM 1266 C ALA A 82 1.206 -16.283 -6.227 1.00 1.20 C ATOM 1267 O ALA A 82 0.162 -16.930 -6.310 1.00 72.43 O ATOM 1268 CB ALA A 82 1.424 -14.332 -4.678 1.00 50.42 C ATOM 0 H ALA A 82 3.723 -15.210 -4.673 1.00 24.44 H new ATOM 0 HA ALA A 82 1.213 -16.378 -4.098 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.352 -14.163 -4.776 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.751 -14.023 -3.685 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.953 -13.750 -5.432 1.00 50.42 H new ATOM 1274 N SER A 83 1.940 -15.955 -7.286 1.00 34.12 N ATOM 1275 CA SER A 83 1.550 -16.343 -8.636 1.00 43.14 C ATOM 1276 C SER A 83 1.339 -17.851 -8.728 1.00 54.13 C ATOM 1277 O SER A 83 0.577 -18.334 -9.567 1.00 22.31 O ATOM 1278 CB SER A 83 2.614 -15.903 -9.643 1.00 1.43 C ATOM 1279 OG SER A 83 2.075 -15.820 -10.951 1.00 10.43 O ATOM 0 H SER A 83 2.808 -15.422 -7.235 1.00 34.12 H new ATOM 0 HA SER A 83 0.609 -15.847 -8.873 1.00 43.14 H new ATOM 0 HB2 SER A 83 3.017 -14.934 -9.350 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.444 -16.610 -9.632 1.00 1.43 H new ATOM 0 HG SER A 83 2.774 -15.535 -11.576 1.00 10.43 H new ATOM 1285 N LYS A 84 2.020 -18.592 -7.861 1.00 42.25 N ATOM 1286 CA LYS A 84 1.909 -20.045 -7.842 1.00 0.24 C ATOM 1287 C LYS A 84 0.741 -20.490 -6.968 1.00 65.15 C ATOM 1288 O LYS A 84 -0.088 -21.298 -7.388 1.00 0.04 O ATOM 1289 CB LYS A 84 3.209 -20.670 -7.329 1.00 70.24 C ATOM 1290 CG LYS A 84 4.433 -20.280 -8.140 1.00 52.41 C ATOM 1291 CD LYS A 84 4.691 -21.265 -9.267 1.00 32.14 C ATOM 1292 CE LYS A 84 6.130 -21.190 -9.755 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.583 -22.478 -10.347 1.00 51.04 N ATOM 0 H LYS A 84 2.656 -18.209 -7.161 1.00 42.25 H new ATOM 0 HA LYS A 84 1.727 -20.383 -8.862 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.361 -20.372 -6.292 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.109 -21.755 -7.337 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.294 -19.281 -8.553 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.305 -20.236 -7.487 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.474 -22.277 -8.924 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.014 -21.057 -10.095 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.221 -20.397 -10.498 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.782 -20.924 -8.923 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.568 -22.385 -10.667 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.521 -23.230 -9.631 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 5.977 -22.720 -11.157 1.00 51.04 H new