USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 697 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 56 SER OG : rot 169:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.61 X(o=-0.61,f=-0.18) USER MOD Set 2.1: A 13 ASN : amide:sc= -1.92 K(o=-2.5,f=-4.3!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.528 X(o=-2.5,f=-2.5) USER MOD Set 3.1: A 7 THR OG1 : rot -51:sc= -0.767! USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -150:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 156:sc= 2.03 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0.175 K(o=0.18,f=-0.67) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -148:sc= -2.36! (180deg=-7.08!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.52) USER MOD Single : A 70 THR OG1 : rot 140:sc= 0.305 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.64) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 141:sc= 0.799 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 5.478 16.004 27.448 1.00 0.00 N ATOM 34 CA LYS A 3 6.226 15.382 28.535 1.00 0.00 C ATOM 35 C LYS A 3 7.373 16.282 28.978 1.00 0.00 C ATOM 36 O LYS A 3 8.534 16.019 28.666 1.00 0.00 O ATOM 37 CB LYS A 3 6.776 14.030 28.085 1.00 0.00 C ATOM 38 CG LYS A 3 5.709 13.201 27.376 1.00 0.00 C ATOM 39 CD LYS A 3 4.845 12.441 28.377 1.00 0.00 C ATOM 40 CE LYS A 3 3.415 12.289 27.868 1.00 0.00 C ATOM 41 NZ LYS A 3 3.355 11.383 26.686 1.00 0.00 N ATOM 0 HA LYS A 3 5.551 15.234 29.378 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.622 14.185 27.416 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.149 13.482 28.950 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.080 13.854 26.771 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.186 12.496 26.694 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.276 11.456 28.559 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.840 12.968 29.331 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.783 11.894 28.664 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.016 13.267 27.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.370 11.299 26.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.939 11.773 25.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.714 10.443 26.950 1.00 0.00 H new ATOM 55 N VAL A 4 7.045 17.342 29.710 1.00 0.00 N ATOM 56 CA VAL A 4 8.058 18.273 30.195 1.00 0.00 C ATOM 57 C VAL A 4 8.977 17.575 31.184 1.00 0.00 C ATOM 58 O VAL A 4 8.656 16.509 31.709 1.00 0.00 O ATOM 59 CB VAL A 4 7.393 19.494 30.845 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.267 19.062 31.781 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.403 20.364 31.594 1.00 0.00 C ATOM 0 H VAL A 4 6.090 17.577 29.980 1.00 0.00 H new ATOM 0 HA VAL A 4 8.654 18.617 29.350 1.00 0.00 H new ATOM 0 HB VAL A 4 6.971 20.097 30.041 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.810 19.943 32.231 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.515 18.511 31.216 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.671 18.423 32.566 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.890 21.217 32.038 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.877 19.776 32.380 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.163 20.720 30.898 1.00 0.00 H new ATOM 71 N THR A 5 10.121 18.191 31.428 1.00 0.00 N ATOM 72 CA THR A 5 11.106 17.644 32.354 1.00 0.00 C ATOM 73 C THR A 5 11.861 18.768 33.050 1.00 0.00 C ATOM 74 O THR A 5 12.345 19.698 32.405 1.00 0.00 O ATOM 75 CB THR A 5 12.083 16.743 31.604 1.00 0.00 C ATOM 76 OG1 THR A 5 12.424 17.328 30.356 1.00 0.00 O ATOM 77 CG2 THR A 5 11.482 15.358 31.386 1.00 0.00 C ATOM 0 H THR A 5 10.394 19.074 30.997 1.00 0.00 H new ATOM 0 HA THR A 5 10.586 17.054 33.109 1.00 0.00 H new ATOM 0 HB THR A 5 12.985 16.636 32.207 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.053 16.744 29.882 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.195 14.732 30.850 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.255 14.904 32.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.566 15.447 30.802 1.00 0.00 H new ATOM 85 N PHE A 6 11.957 18.677 34.372 1.00 0.00 N ATOM 86 CA PHE A 6 12.653 19.687 35.161 1.00 0.00 C ATOM 87 C PHE A 6 14.083 19.244 35.443 1.00 0.00 C ATOM 88 O PHE A 6 14.474 18.128 35.104 1.00 0.00 O ATOM 89 CB PHE A 6 11.908 19.925 36.472 1.00 0.00 C ATOM 90 CG PHE A 6 10.516 20.467 36.259 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.563 19.696 35.614 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.191 21.737 36.706 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.286 20.194 35.417 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.914 22.236 36.508 1.00 0.00 C ATOM 95 CZ PHE A 6 7.962 21.464 35.863 1.00 0.00 C ATOM 0 H PHE A 6 11.561 17.913 34.920 1.00 0.00 H new ATOM 0 HA PHE A 6 12.683 20.618 34.595 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.848 18.989 37.027 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.476 20.624 37.086 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.816 18.706 35.265 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.934 22.339 37.209 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.543 19.592 34.916 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.661 23.226 36.856 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.966 21.853 35.708 1.00 0.00 H new ATOM 105 N THR A 7 14.861 20.125 36.063 1.00 0.00 N ATOM 106 CA THR A 7 16.251 19.823 36.386 1.00 0.00 C ATOM 107 C THR A 7 16.796 20.843 37.375 1.00 0.00 C ATOM 108 O THR A 7 17.054 21.993 37.019 1.00 0.00 O ATOM 109 CB THR A 7 17.096 19.827 35.116 1.00 0.00 C ATOM 110 OG1 THR A 7 16.373 19.227 34.052 1.00 0.00 O ATOM 111 CG2 THR A 7 18.411 19.085 35.337 1.00 0.00 C ATOM 0 H THR A 7 14.553 21.053 36.352 1.00 0.00 H new ATOM 0 HA THR A 7 16.297 18.833 36.840 1.00 0.00 H new ATOM 0 HB THR A 7 17.325 20.861 34.858 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.027 18.357 34.341 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.997 19.101 34.418 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.973 19.571 36.134 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.203 18.052 35.617 1.00 0.00 H new ATOM 119 N VAL A 8 16.967 20.416 38.620 1.00 0.00 N ATOM 120 CA VAL A 8 17.479 21.290 39.669 1.00 0.00 C ATOM 121 C VAL A 8 18.858 21.817 39.295 1.00 0.00 C ATOM 122 O VAL A 8 19.872 21.168 39.551 1.00 0.00 O ATOM 123 CB VAL A 8 17.549 20.528 40.988 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.112 21.418 42.093 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.169 20.002 41.371 1.00 0.00 C ATOM 0 H VAL A 8 16.758 19.467 38.929 1.00 0.00 H new ATOM 0 HA VAL A 8 16.803 22.138 39.782 1.00 0.00 H new ATOM 0 HB VAL A 8 18.219 19.678 40.861 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.154 20.857 43.026 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.115 21.745 41.821 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.469 22.289 42.222 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.235 19.460 42.315 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.478 20.838 41.480 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.806 19.331 40.592 1.00 0.00 H new ATOM 135 N GLU A 9 18.889 23.000 38.690 1.00 0.00 N ATOM 136 CA GLU A 9 20.145 23.619 38.281 1.00 0.00 C ATOM 137 C GLU A 9 21.080 23.753 39.476 1.00 0.00 C ATOM 138 O GLU A 9 20.641 23.739 40.626 1.00 0.00 O ATOM 139 CB GLU A 9 19.876 24.994 37.676 1.00 0.00 C ATOM 140 CG GLU A 9 19.410 24.885 36.226 1.00 0.00 C ATOM 141 CD GLU A 9 20.441 24.134 35.394 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.378 24.781 34.881 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.310 22.899 35.256 1.00 0.00 O ATOM 0 H GLU A 9 18.058 23.550 38.472 1.00 0.00 H new ATOM 0 HA GLU A 9 20.620 22.986 37.531 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.118 25.510 38.265 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.782 25.598 37.724 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.451 24.368 36.183 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.254 25.881 35.811 1.00 0.00 H new ATOM 150 N LYS A 10 22.373 23.883 39.196 1.00 0.00 N ATOM 151 CA LYS A 10 23.376 24.019 40.247 1.00 0.00 C ATOM 152 C LYS A 10 23.366 25.434 40.812 1.00 0.00 C ATOM 153 O LYS A 10 24.356 26.159 40.714 1.00 0.00 O ATOM 154 CB LYS A 10 24.759 23.693 39.690 1.00 0.00 C ATOM 155 CG LYS A 10 25.059 24.514 38.440 1.00 0.00 C ATOM 156 CD LYS A 10 26.554 24.529 38.134 1.00 0.00 C ATOM 157 CE LYS A 10 27.319 25.367 39.155 1.00 0.00 C ATOM 158 NZ LYS A 10 28.274 26.297 38.488 1.00 0.00 N ATOM 0 H LYS A 10 22.751 23.897 38.249 1.00 0.00 H new ATOM 0 HA LYS A 10 23.138 23.321 41.049 1.00 0.00 H new ATOM 0 HB2 LYS A 10 25.516 23.892 40.449 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.817 22.631 39.453 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.516 24.100 37.591 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.703 25.535 38.579 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.938 23.509 38.136 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.719 24.930 37.134 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.615 25.938 39.760 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.863 24.710 39.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.778 26.852 39.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.960 25.749 37.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.751 26.939 37.859 1.00 0.00 H new ATOM 172 N GLY A 11 22.241 25.821 41.405 1.00 0.00 N ATOM 173 CA GLY A 11 22.101 27.151 41.988 1.00 0.00 C ATOM 174 C GLY A 11 21.048 27.149 43.089 1.00 0.00 C ATOM 175 O GLY A 11 20.419 28.171 43.362 1.00 0.00 O ATOM 0 H GLY A 11 21.413 25.232 41.495 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.058 27.478 42.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.823 27.866 41.213 1.00 0.00 H new ATOM 179 N SER A 12 20.861 25.993 43.718 1.00 0.00 N ATOM 180 CA SER A 12 19.882 25.854 44.792 1.00 0.00 C ATOM 181 C SER A 12 20.504 26.237 46.129 1.00 0.00 C ATOM 182 O SER A 12 21.596 25.783 46.470 1.00 0.00 O ATOM 183 CB SER A 12 19.372 24.417 44.849 1.00 0.00 C ATOM 184 OG SER A 12 18.496 24.157 43.764 1.00 0.00 O ATOM 0 H SER A 12 21.374 25.138 43.503 1.00 0.00 H new ATOM 0 HA SER A 12 19.045 26.523 44.591 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.213 23.725 44.819 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.853 24.246 45.792 1.00 0.00 H new ATOM 0 HG SER A 12 17.836 23.484 44.031 1.00 0.00 H new ATOM 190 N ASN A 13 19.800 27.074 46.884 1.00 0.00 N ATOM 191 CA ASN A 13 20.281 27.519 48.190 1.00 0.00 C ATOM 192 C ASN A 13 19.423 26.914 49.295 1.00 0.00 C ATOM 193 O ASN A 13 18.742 25.910 49.083 1.00 0.00 O ATOM 194 CB ASN A 13 20.242 29.047 48.281 1.00 0.00 C ATOM 195 CG ASN A 13 20.672 29.681 46.962 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.117 30.695 46.540 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.663 29.083 46.312 1.00 0.00 N ATOM 0 H ASN A 13 18.894 27.459 46.615 1.00 0.00 H new ATOM 0 HA ASN A 13 21.312 27.186 48.313 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.234 29.375 48.535 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.899 29.385 49.083 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.993 29.463 45.425 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.094 28.244 46.700 1.00 0.00 H new ATOM 204 N GLU A 14 19.457 27.529 50.475 1.00 0.00 N ATOM 205 CA GLU A 14 18.679 27.051 51.616 1.00 0.00 C ATOM 206 C GLU A 14 17.237 26.772 51.204 1.00 0.00 C ATOM 207 O GLU A 14 16.752 25.648 51.332 1.00 0.00 O ATOM 208 CB GLU A 14 18.705 28.093 52.731 1.00 0.00 C ATOM 209 CG GLU A 14 18.406 27.461 54.086 1.00 0.00 C ATOM 210 CD GLU A 14 17.201 28.136 54.728 1.00 0.00 C ATOM 211 OE1 GLU A 14 16.227 28.429 54.005 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.235 28.371 55.955 1.00 0.00 O ATOM 0 H GLU A 14 20.016 28.361 50.666 1.00 0.00 H new ATOM 0 HA GLU A 14 19.123 26.123 51.976 1.00 0.00 H new ATOM 0 HB2 GLU A 14 19.683 28.574 52.759 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.972 28.872 52.521 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.212 26.395 53.963 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.274 27.554 54.738 1.00 0.00 H new ATOM 219 N LYS A 15 16.559 27.802 50.709 1.00 0.00 N ATOM 220 CA LYS A 15 15.171 27.670 50.277 1.00 0.00 C ATOM 221 C LYS A 15 15.060 27.850 48.767 1.00 0.00 C ATOM 222 O LYS A 15 14.125 27.349 48.143 1.00 0.00 O ATOM 223 CB LYS A 15 14.305 28.706 50.987 1.00 0.00 C ATOM 224 CG LYS A 15 14.827 30.118 50.746 1.00 0.00 C ATOM 225 CD LYS A 15 15.458 30.696 52.009 1.00 0.00 C ATOM 226 CE LYS A 15 15.203 32.196 52.115 1.00 0.00 C ATOM 227 NZ LYS A 15 15.022 32.616 53.533 1.00 0.00 N ATOM 0 H LYS A 15 16.948 28.738 50.597 1.00 0.00 H new ATOM 0 HA LYS A 15 14.821 26.670 50.535 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.277 28.630 50.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.289 28.499 52.057 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.563 30.104 49.942 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.009 30.760 50.418 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.051 30.192 52.886 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.531 30.506 52.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.039 32.741 51.676 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.315 32.457 51.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.850 33.641 53.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.209 32.113 53.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.880 32.388 54.075 1.00 0.00 H new ATOM 241 N HIS A 16 16.016 28.568 48.184 1.00 0.00 N ATOM 242 CA HIS A 16 16.020 28.811 46.744 1.00 0.00 C ATOM 243 C HIS A 16 15.870 27.501 45.984 1.00 0.00 C ATOM 244 O HIS A 16 16.527 26.509 46.300 1.00 0.00 O ATOM 245 CB HIS A 16 17.315 29.506 46.332 1.00 0.00 C ATOM 246 CG HIS A 16 17.251 30.992 46.492 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.477 31.631 47.684 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.984 31.987 45.607 1.00 0.00 C ATOM 249 CE1 HIS A 16 17.358 32.932 47.551 1.00 0.00 C ATOM 250 NE2 HIS A 16 17.056 33.188 46.288 1.00 0.00 N ATOM 0 H HIS A 16 16.797 28.991 48.685 1.00 0.00 H new ATOM 0 HA HIS A 16 15.177 29.457 46.499 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.138 29.116 46.931 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.536 29.266 45.292 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.756 31.862 44.559 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.484 33.664 48.335 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.903 34.113 45.886 1.00 0.00 H new ATOM 258 N LEU A 17 14.999 27.503 44.981 1.00 0.00 N ATOM 259 CA LEU A 17 14.758 26.314 44.172 1.00 0.00 C ATOM 260 C LEU A 17 14.921 26.637 42.694 1.00 0.00 C ATOM 261 O LEU A 17 14.005 27.156 42.057 1.00 0.00 O ATOM 262 CB LEU A 17 13.353 25.781 44.437 1.00 0.00 C ATOM 263 CG LEU A 17 13.326 24.256 44.428 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.665 23.721 43.039 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.294 23.698 45.469 1.00 0.00 C ATOM 0 H LEU A 17 14.447 28.316 44.708 1.00 0.00 H new ATOM 0 HA LEU A 17 15.487 25.551 44.445 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.999 26.147 45.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.668 26.163 43.680 1.00 0.00 H new ATOM 0 HG LEU A 17 12.318 23.929 44.684 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.641 22.631 43.053 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.936 24.091 42.319 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.661 24.058 42.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.262 22.609 45.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.306 24.035 45.243 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.007 24.051 46.459 1.00 0.00 H new ATOM 277 N ALA A 18 16.094 26.326 42.153 1.00 0.00 N ATOM 278 CA ALA A 18 16.379 26.582 40.745 1.00 0.00 C ATOM 279 C ALA A 18 16.085 25.341 39.915 1.00 0.00 C ATOM 280 O ALA A 18 16.565 24.250 40.221 1.00 0.00 O ATOM 281 CB ALA A 18 17.840 26.987 40.573 1.00 0.00 C ATOM 0 H ALA A 18 16.863 25.896 42.668 1.00 0.00 H new ATOM 0 HA ALA A 18 15.741 27.396 40.401 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.043 27.176 39.519 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.037 27.891 41.149 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.485 26.183 40.928 1.00 0.00 H new ATOM 287 N VAL A 19 15.291 25.514 38.865 1.00 0.00 N ATOM 288 CA VAL A 19 14.929 24.407 37.987 1.00 0.00 C ATOM 289 C VAL A 19 15.212 24.769 36.536 1.00 0.00 C ATOM 290 O VAL A 19 15.112 25.932 36.147 1.00 0.00 O ATOM 291 CB VAL A 19 13.452 24.070 38.160 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.191 23.505 39.554 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.592 25.306 37.914 1.00 0.00 C ATOM 0 H VAL A 19 14.885 26.411 38.600 1.00 0.00 H new ATOM 0 HA VAL A 19 15.529 23.537 38.254 1.00 0.00 H new ATOM 0 HB VAL A 19 13.183 23.310 37.426 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.132 23.270 39.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.779 22.598 39.695 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.475 24.242 40.305 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.540 25.049 38.041 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.864 26.086 38.626 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.757 25.668 36.899 1.00 0.00 H new ATOM 303 N LEU A 20 15.565 23.767 35.738 1.00 0.00 N ATOM 304 CA LEU A 20 15.864 23.983 34.327 1.00 0.00 C ATOM 305 C LEU A 20 14.626 23.728 33.475 1.00 0.00 C ATOM 306 O LEU A 20 14.610 22.821 32.643 1.00 0.00 O ATOM 307 CB LEU A 20 16.997 23.061 33.886 1.00 0.00 C ATOM 308 CG LEU A 20 17.890 23.737 32.851 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.979 22.779 32.376 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.061 24.234 31.670 1.00 0.00 C ATOM 0 H LEU A 20 15.651 22.798 36.044 1.00 0.00 H new ATOM 0 HA LEU A 20 16.174 25.019 34.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.593 22.774 34.752 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.581 22.144 33.468 1.00 0.00 H new ATOM 0 HG LEU A 20 18.369 24.597 33.320 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.606 23.279 31.638 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.591 22.474 33.225 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.519 21.900 31.925 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.716 24.713 30.942 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.553 23.391 31.202 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.321 24.953 32.022 1.00 0.00 H new ATOM 322 N VAL A 21 13.589 24.533 33.686 1.00 0.00 N ATOM 323 CA VAL A 21 12.346 24.392 32.934 1.00 0.00 C ATOM 324 C VAL A 21 12.580 24.708 31.463 1.00 0.00 C ATOM 325 O VAL A 21 12.641 25.874 31.070 1.00 0.00 O ATOM 326 CB VAL A 21 11.279 25.324 33.502 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.928 25.056 32.844 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.179 25.164 35.016 1.00 0.00 C ATOM 0 H VAL A 21 13.584 25.289 34.371 1.00 0.00 H new ATOM 0 HA VAL A 21 12.001 23.362 33.023 1.00 0.00 H new ATOM 0 HB VAL A 21 11.569 26.352 33.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.180 25.730 33.262 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.007 25.223 31.770 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.631 24.024 33.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.413 25.836 35.403 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.913 24.135 35.256 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.139 25.407 35.472 1.00 0.00 H new ATOM 338 N LYS A 22 12.711 23.664 30.652 1.00 0.00 N ATOM 339 CA LYS A 22 12.939 23.830 29.221 1.00 0.00 C ATOM 340 C LYS A 22 12.551 22.561 28.473 1.00 0.00 C ATOM 341 O LYS A 22 12.604 21.462 29.027 1.00 0.00 O ATOM 342 CB LYS A 22 14.407 24.158 28.963 1.00 0.00 C ATOM 343 CG LYS A 22 14.611 25.657 28.763 1.00 0.00 C ATOM 344 CD LYS A 22 14.729 26.007 27.282 1.00 0.00 C ATOM 345 CE LYS A 22 16.189 26.152 26.861 1.00 0.00 C ATOM 346 NZ LYS A 22 16.624 27.577 26.894 1.00 0.00 N ATOM 0 H LYS A 22 12.663 22.693 30.961 1.00 0.00 H new ATOM 0 HA LYS A 22 12.320 24.652 28.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.012 23.815 29.802 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.753 23.620 28.080 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.775 26.202 29.202 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.511 25.977 29.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.251 25.231 26.684 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.197 26.937 27.082 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.821 25.561 27.524 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.321 25.753 25.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.620 27.643 26.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.036 28.135 26.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.520 27.949 27.859 1.00 0.00 H new ATOM 360 N TYR A 23 12.160 22.717 27.213 1.00 0.00 N ATOM 361 CA TYR A 23 11.761 21.582 26.388 1.00 0.00 C ATOM 362 C TYR A 23 11.345 22.055 25.001 1.00 0.00 C ATOM 363 O TYR A 23 10.977 23.214 24.814 1.00 0.00 O ATOM 364 CB TYR A 23 10.605 20.839 27.050 1.00 0.00 C ATOM 365 CG TYR A 23 9.459 21.746 27.414 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.541 22.124 26.450 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.322 22.202 28.713 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.487 22.956 26.786 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.269 23.034 29.047 1.00 0.00 C ATOM 370 CZ TYR A 23 7.356 23.408 28.083 1.00 0.00 C ATOM 371 OH TYR A 23 6.309 24.235 28.416 1.00 0.00 O ATOM 0 H TYR A 23 12.111 23.619 26.740 1.00 0.00 H new ATOM 0 HA TYR A 23 12.611 20.907 26.288 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.246 20.061 26.376 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.967 20.340 27.949 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.647 21.770 25.435 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.038 21.908 29.467 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.769 23.251 26.035 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.162 23.390 30.061 1.00 0.00 H new ATOM 0 HH TYR A 23 6.128 24.164 29.377 1.00 0.00 H new ATOM 381 N GLU A 24 11.406 21.149 24.031 1.00 0.00 N ATOM 382 CA GLU A 24 11.034 21.472 22.658 1.00 0.00 C ATOM 383 C GLU A 24 9.524 21.375 22.482 1.00 0.00 C ATOM 384 O GLU A 24 8.830 20.783 23.309 1.00 0.00 O ATOM 385 CB GLU A 24 11.733 20.520 21.691 1.00 0.00 C ATOM 386 CG GLU A 24 12.185 21.250 20.430 1.00 0.00 C ATOM 387 CD GLU A 24 13.462 20.622 19.888 1.00 0.00 C ATOM 388 OE1 GLU A 24 14.256 20.095 20.695 1.00 0.00 O ATOM 389 OE2 GLU A 24 13.666 20.657 18.656 1.00 0.00 O ATOM 0 H GLU A 24 11.709 20.185 24.170 1.00 0.00 H new ATOM 0 HA GLU A 24 11.347 22.494 22.442 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.595 20.067 22.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.057 19.709 21.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.400 21.206 19.675 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.355 22.304 20.652 1.00 0.00 H new ATOM 396 N GLY A 25 9.020 21.960 21.401 1.00 0.00 N ATOM 397 CA GLY A 25 7.589 21.941 21.115 1.00 0.00 C ATOM 398 C GLY A 25 6.972 23.310 21.370 1.00 0.00 C ATOM 399 O GLY A 25 6.247 23.841 20.529 1.00 0.00 O ATOM 0 H GLY A 25 9.581 22.454 20.707 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.424 21.650 20.078 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.098 21.193 21.738 1.00 0.00 H new ATOM 403 N ASP A 26 7.266 23.878 22.535 1.00 0.00 N ATOM 404 CA ASP A 26 6.743 25.189 22.905 1.00 0.00 C ATOM 405 C ASP A 26 7.871 26.084 23.398 1.00 0.00 C ATOM 406 O ASP A 26 9.035 25.684 23.404 1.00 0.00 O ATOM 407 CB ASP A 26 5.684 25.040 23.994 1.00 0.00 C ATOM 408 CG ASP A 26 4.646 24.004 23.583 1.00 0.00 C ATOM 409 OD1 ASP A 26 3.863 24.284 22.651 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.617 22.915 24.193 1.00 0.00 O ATOM 0 H ASP A 26 7.865 23.450 23.241 1.00 0.00 H new ATOM 0 HA ASP A 26 6.288 25.646 22.026 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.155 24.741 24.930 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.199 26.000 24.173 1.00 0.00 H new ATOM 415 N THR A 27 7.522 27.298 23.812 1.00 0.00 N ATOM 416 CA THR A 27 8.512 28.249 24.307 1.00 0.00 C ATOM 417 C THR A 27 8.114 28.766 25.683 1.00 0.00 C ATOM 418 O THR A 27 6.961 28.639 26.096 1.00 0.00 O ATOM 419 CB THR A 27 8.647 29.414 23.332 1.00 0.00 C ATOM 420 OG1 THR A 27 8.240 29.011 22.034 1.00 0.00 O ATOM 421 CG2 THR A 27 10.085 29.924 23.294 1.00 0.00 C ATOM 0 H THR A 27 6.563 27.646 23.815 1.00 0.00 H new ATOM 0 HA THR A 27 9.472 27.740 24.391 1.00 0.00 H new ATOM 0 HB THR A 27 8.003 30.225 23.673 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.328 29.765 21.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.158 30.755 22.592 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.378 30.262 24.288 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.748 29.120 22.975 1.00 0.00 H new ATOM 429 N MET A 28 9.077 29.350 26.389 1.00 0.00 N ATOM 430 CA MET A 28 8.835 29.892 27.722 1.00 0.00 C ATOM 431 C MET A 28 7.731 30.942 27.674 1.00 0.00 C ATOM 432 O MET A 28 6.952 30.984 26.725 1.00 0.00 O ATOM 433 CB MET A 28 10.118 30.514 28.264 1.00 0.00 C ATOM 434 CG MET A 28 11.312 29.588 28.054 1.00 0.00 C ATOM 435 SD MET A 28 12.590 30.337 27.031 1.00 0.00 S ATOM 436 CE MET A 28 13.805 30.785 28.281 1.00 0.00 C ATOM 0 H MET A 28 10.036 29.460 26.059 1.00 0.00 H new ATOM 0 HA MET A 28 8.519 29.083 28.380 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.302 31.467 27.767 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.002 30.726 29.327 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.736 29.321 29.022 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.973 28.663 27.588 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.660 31.262 27.803 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.356 31.477 28.994 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.136 29.888 28.805 1.00 0.00 H new ATOM 446 N ALA A 29 7.677 31.788 28.708 1.00 0.00 N ATOM 447 CA ALA A 29 6.681 32.865 28.819 1.00 0.00 C ATOM 448 C ALA A 29 6.478 33.221 30.284 1.00 0.00 C ATOM 449 O ALA A 29 6.772 34.338 30.711 1.00 0.00 O ATOM 450 CB ALA A 29 5.338 32.459 28.209 1.00 0.00 C ATOM 0 H ALA A 29 8.324 31.747 29.495 1.00 0.00 H new ATOM 0 HA ALA A 29 7.058 33.726 28.268 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.629 33.281 28.311 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.474 32.225 27.153 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.953 31.581 28.728 1.00 0.00 H new ATOM 456 N GLU A 30 5.974 32.259 31.050 1.00 0.00 N ATOM 457 CA GLU A 30 5.729 32.454 32.474 1.00 0.00 C ATOM 458 C GLU A 30 5.910 31.139 33.220 1.00 0.00 C ATOM 459 O GLU A 30 5.881 30.065 32.619 1.00 0.00 O ATOM 460 CB GLU A 30 4.316 32.988 32.693 1.00 0.00 C ATOM 461 CG GLU A 30 4.071 33.317 34.163 1.00 0.00 C ATOM 462 CD GLU A 30 2.974 34.366 34.292 1.00 0.00 C ATOM 463 OE1 GLU A 30 3.004 35.355 33.530 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.087 34.197 35.155 1.00 0.00 O ATOM 0 H GLU A 30 5.726 31.331 30.706 1.00 0.00 H new ATOM 0 HA GLU A 30 6.445 33.180 32.859 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.164 33.882 32.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.589 32.249 32.357 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.786 32.414 34.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.990 33.684 34.619 1.00 0.00 H new ATOM 471 N VAL A 31 6.094 31.227 34.533 1.00 0.00 N ATOM 472 CA VAL A 31 6.278 30.042 35.364 1.00 0.00 C ATOM 473 C VAL A 31 5.861 30.334 36.795 1.00 0.00 C ATOM 474 O VAL A 31 5.960 31.469 37.262 1.00 0.00 O ATOM 475 CB VAL A 31 7.738 29.593 35.340 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.877 28.200 35.948 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.291 29.610 33.919 1.00 0.00 C ATOM 0 H VAL A 31 6.120 32.108 35.046 1.00 0.00 H new ATOM 0 HA VAL A 31 5.654 29.243 34.963 1.00 0.00 H new ATOM 0 HB VAL A 31 8.318 30.295 35.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.923 27.895 35.923 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.528 28.217 36.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.279 27.492 35.375 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.332 29.286 33.930 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.707 28.935 33.293 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.230 30.621 33.517 1.00 0.00 H new ATOM 487 N GLU A 32 5.392 29.305 37.488 1.00 0.00 N ATOM 488 CA GLU A 32 4.959 29.450 38.864 1.00 0.00 C ATOM 489 C GLU A 32 5.137 28.139 39.616 1.00 0.00 C ATOM 490 O GLU A 32 4.965 27.058 39.053 1.00 0.00 O ATOM 491 CB GLU A 32 3.504 29.887 38.891 1.00 0.00 C ATOM 492 CG GLU A 32 2.593 28.835 38.274 1.00 0.00 C ATOM 493 CD GLU A 32 2.242 29.219 36.843 1.00 0.00 C ATOM 494 OE1 GLU A 32 3.053 28.939 35.936 1.00 0.00 O ATOM 495 OE2 GLU A 32 1.156 29.799 36.632 1.00 0.00 O ATOM 0 H GLU A 32 5.303 28.360 37.115 1.00 0.00 H new ATOM 0 HA GLU A 32 5.569 30.208 39.356 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.199 30.075 39.920 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.395 30.827 38.349 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.086 27.863 38.287 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.683 28.739 38.866 1.00 0.00 H new ATOM 502 N LEU A 33 5.495 28.244 40.890 1.00 0.00 N ATOM 503 CA LEU A 33 5.713 27.078 41.727 1.00 0.00 C ATOM 504 C LEU A 33 4.637 27.021 42.813 1.00 0.00 C ATOM 505 O LEU A 33 4.113 28.051 43.235 1.00 0.00 O ATOM 506 CB LEU A 33 7.131 27.167 42.321 1.00 0.00 C ATOM 507 CG LEU A 33 7.285 26.396 43.630 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.133 24.896 43.391 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.633 26.701 44.277 1.00 0.00 C ATOM 0 H LEU A 33 5.641 29.134 41.366 1.00 0.00 H new ATOM 0 HA LEU A 33 5.638 26.158 41.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.847 26.783 41.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.381 28.214 42.492 1.00 0.00 H new ATOM 0 HG LEU A 33 6.497 26.717 44.311 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.246 24.364 44.336 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.146 24.692 42.975 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.898 24.560 42.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.724 26.142 45.209 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.436 26.410 43.599 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.703 27.769 44.486 1.00 0.00 H new ATOM 521 N ARG A 34 4.314 25.811 43.259 1.00 0.00 N ATOM 522 CA ARG A 34 3.304 25.619 44.295 1.00 0.00 C ATOM 523 C ARG A 34 3.933 24.992 45.535 1.00 0.00 C ATOM 524 O ARG A 34 5.143 25.083 45.741 1.00 0.00 O ATOM 525 CB ARG A 34 2.181 24.731 43.768 1.00 0.00 C ATOM 526 CG ARG A 34 0.813 25.298 44.136 1.00 0.00 C ATOM 527 CD ARG A 34 -0.301 24.302 43.829 1.00 0.00 C ATOM 528 NE ARG A 34 -0.440 23.346 44.923 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.451 22.485 44.973 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.039 22.085 43.854 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.874 22.022 46.142 1.00 0.00 N ATOM 0 H ARG A 34 4.737 24.948 42.919 1.00 0.00 H new ATOM 0 HA ARG A 34 2.889 26.589 44.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.262 24.642 42.685 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.284 23.727 44.179 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.795 25.551 45.196 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.640 26.222 43.584 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.241 24.832 43.679 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.081 23.774 42.901 1.00 0.00 H new ATOM 0 HE ARG A 34 0.257 23.339 45.668 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.715 22.438 42.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.815 21.424 43.894 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.423 22.327 47.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.650 21.361 46.178 1.00 0.00 H new ATOM 545 N GLU A 35 3.107 24.357 46.362 1.00 0.00 N ATOM 546 CA GLU A 35 3.585 23.717 47.581 1.00 0.00 C ATOM 547 C GLU A 35 2.438 22.984 48.256 1.00 0.00 C ATOM 548 O GLU A 35 1.540 23.606 48.823 1.00 0.00 O ATOM 549 CB GLU A 35 4.167 24.762 48.528 1.00 0.00 C ATOM 550 CG GLU A 35 5.235 24.154 49.433 1.00 0.00 C ATOM 551 CD GLU A 35 4.605 23.148 50.387 1.00 0.00 C ATOM 552 OE1 GLU A 35 3.446 23.364 50.801 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.271 22.145 50.720 1.00 0.00 O ATOM 0 H GLU A 35 2.102 24.273 46.209 1.00 0.00 H new ATOM 0 HA GLU A 35 4.367 23.002 47.326 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.599 25.580 47.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.370 25.188 49.137 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.998 23.664 48.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.733 24.941 49.999 1.00 0.00 H new ATOM 560 N HIS A 36 2.464 21.657 48.185 1.00 0.00 N ATOM 561 CA HIS A 36 1.413 20.839 48.783 1.00 0.00 C ATOM 562 C HIS A 36 1.134 21.282 50.213 1.00 0.00 C ATOM 563 O HIS A 36 1.830 20.881 51.147 1.00 0.00 O ATOM 564 CB HIS A 36 1.817 19.368 48.771 1.00 0.00 C ATOM 565 CG HIS A 36 1.075 18.570 47.745 1.00 0.00 C ATOM 566 ND1 HIS A 36 -0.121 17.949 47.995 1.00 0.00 N ATOM 567 CD2 HIS A 36 1.355 18.280 46.448 1.00 0.00 C ATOM 568 CE1 HIS A 36 -0.556 17.318 46.930 1.00 0.00 C ATOM 569 NE2 HIS A 36 0.324 17.498 45.959 1.00 0.00 N ATOM 0 H HIS A 36 3.200 21.125 47.720 1.00 0.00 H new ATOM 0 HA HIS A 36 0.506 20.967 48.193 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.887 19.292 48.579 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.638 18.939 49.757 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.226 18.602 45.897 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.472 16.751 46.859 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.254 17.124 45.012 1.00 0.00 H new ATOM 577 N GLY A 37 0.110 22.108 50.377 1.00 0.00 N ATOM 578 CA GLY A 37 -0.269 22.607 51.691 1.00 0.00 C ATOM 579 C GLY A 37 -1.145 23.845 51.558 1.00 0.00 C ATOM 580 O GLY A 37 -2.014 24.098 52.392 1.00 0.00 O ATOM 0 H GLY A 37 -0.475 22.448 49.613 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.804 21.833 52.240 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.625 22.847 52.267 1.00 0.00 H new ATOM 584 N SER A 38 -0.909 24.613 50.499 1.00 0.00 N ATOM 585 CA SER A 38 -1.673 25.830 50.244 1.00 0.00 C ATOM 586 C SER A 38 -2.429 25.707 48.926 1.00 0.00 C ATOM 587 O SER A 38 -1.944 25.091 47.978 1.00 0.00 O ATOM 588 CB SER A 38 -0.735 27.033 50.197 1.00 0.00 C ATOM 589 OG SER A 38 -1.400 28.202 50.651 1.00 0.00 O ATOM 0 H SER A 38 -0.192 24.413 49.801 1.00 0.00 H new ATOM 0 HA SER A 38 -2.392 25.971 51.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.141 26.842 50.817 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.378 27.183 49.178 1.00 0.00 H new ATOM 0 HG SER A 38 -0.784 28.963 50.616 1.00 0.00 H new ATOM 595 N ASP A 39 -3.621 26.293 48.873 1.00 0.00 N ATOM 596 CA ASP A 39 -4.444 26.243 47.667 1.00 0.00 C ATOM 597 C ASP A 39 -4.227 27.487 46.812 1.00 0.00 C ATOM 598 O ASP A 39 -5.073 27.837 45.989 1.00 0.00 O ATOM 599 CB ASP A 39 -5.917 26.129 48.048 1.00 0.00 C ATOM 600 CG ASP A 39 -6.252 24.695 48.434 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.387 24.022 49.032 1.00 0.00 O ATOM 602 OD2 ASP A 39 -7.379 24.246 48.136 1.00 0.00 O ATOM 0 H ASP A 39 -4.039 26.807 49.649 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.151 25.368 47.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.138 26.798 48.880 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.542 26.443 47.212 1.00 0.00 H new ATOM 607 N GLU A 40 -3.093 28.154 47.009 1.00 0.00 N ATOM 608 CA GLU A 40 -2.773 29.356 46.257 1.00 0.00 C ATOM 609 C GLU A 40 -1.362 29.250 45.683 1.00 0.00 C ATOM 610 O GLU A 40 -0.380 29.236 46.425 1.00 0.00 O ATOM 611 CB GLU A 40 -2.898 30.571 47.180 1.00 0.00 C ATOM 612 CG GLU A 40 -2.299 31.826 46.555 1.00 0.00 C ATOM 613 CD GLU A 40 -3.127 32.270 45.357 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.354 32.035 45.360 1.00 0.00 O ATOM 615 OE2 GLU A 40 -2.548 32.853 44.416 1.00 0.00 O ATOM 0 H GLU A 40 -2.381 27.879 47.686 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.468 29.471 45.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.949 30.746 47.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.397 30.362 48.125 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.261 32.626 47.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.273 31.630 46.243 1.00 0.00 H new ATOM 622 N TRP A 41 -1.270 29.180 44.359 1.00 0.00 N ATOM 623 CA TRP A 41 0.021 29.082 43.683 1.00 0.00 C ATOM 624 C TRP A 41 0.843 30.338 43.937 1.00 0.00 C ATOM 625 O TRP A 41 0.349 31.306 44.514 1.00 0.00 O ATOM 626 CB TRP A 41 -0.188 28.898 42.183 1.00 0.00 C ATOM 627 CG TRP A 41 -0.795 27.572 41.840 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.102 27.202 41.999 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.117 26.432 41.273 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.251 25.915 41.565 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.067 25.416 41.117 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.199 26.176 40.884 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.739 24.176 40.593 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.535 24.937 40.358 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.573 23.945 40.214 1.00 0.00 C ATOM 0 H TRP A 41 -2.074 29.189 43.731 1.00 0.00 H new ATOM 0 HA TRP A 41 0.558 28.220 44.078 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.832 29.695 41.810 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.770 28.997 41.672 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.887 27.825 42.401 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.130 25.398 41.575 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.954 26.941 40.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.489 23.407 40.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.554 24.742 40.058 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.851 22.986 39.803 1.00 0.00 H new ATOM 646 N VAL A 42 2.097 30.321 43.499 1.00 0.00 N ATOM 647 CA VAL A 42 2.981 31.466 43.675 1.00 0.00 C ATOM 648 C VAL A 42 3.938 31.572 42.497 1.00 0.00 C ATOM 649 O VAL A 42 4.863 30.771 42.361 1.00 0.00 O ATOM 650 CB VAL A 42 3.765 31.331 44.979 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.871 31.650 46.175 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.353 29.930 45.112 1.00 0.00 C ATOM 0 H VAL A 42 2.523 29.528 43.020 1.00 0.00 H new ATOM 0 HA VAL A 42 2.377 32.372 43.722 1.00 0.00 H new ATOM 0 HB VAL A 42 4.587 32.047 44.960 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.445 31.549 47.096 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.499 32.671 46.089 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.029 30.958 46.195 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.907 29.855 46.048 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.548 29.195 45.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.025 29.736 44.276 1.00 0.00 H new ATOM 662 N ALA A 43 3.706 32.565 41.640 1.00 0.00 N ATOM 663 CA ALA A 43 4.543 32.780 40.460 1.00 0.00 C ATOM 664 C ALA A 43 6.021 32.682 40.823 1.00 0.00 C ATOM 665 O ALA A 43 6.427 33.056 41.924 1.00 0.00 O ATOM 666 CB ALA A 43 4.248 34.150 39.857 1.00 0.00 C ATOM 0 H ALA A 43 2.944 33.235 41.741 1.00 0.00 H new ATOM 0 HA ALA A 43 4.314 32.006 39.728 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.875 34.304 38.979 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.198 34.202 39.567 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.460 34.925 40.594 1.00 0.00 H new ATOM 672 N MET A 44 6.820 32.171 39.894 1.00 0.00 N ATOM 673 CA MET A 44 8.251 32.015 40.112 1.00 0.00 C ATOM 674 C MET A 44 8.936 33.372 40.180 1.00 0.00 C ATOM 675 O MET A 44 8.278 34.411 40.228 1.00 0.00 O ATOM 676 CB MET A 44 8.845 31.186 38.984 1.00 0.00 C ATOM 677 CG MET A 44 8.980 29.727 39.390 1.00 0.00 C ATOM 678 SD MET A 44 10.688 29.247 39.690 1.00 0.00 S ATOM 679 CE MET A 44 10.488 28.163 41.113 1.00 0.00 C ATOM 0 H MET A 44 6.498 31.857 38.979 1.00 0.00 H new ATOM 0 HA MET A 44 8.410 31.506 41.062 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.213 31.264 38.100 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.823 31.583 38.713 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.393 29.549 40.291 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.561 29.095 38.606 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.369 28.233 41.751 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.606 28.464 41.678 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.368 27.134 40.773 1.00 0.00 H new ATOM 689 N THR A 45 10.265 33.355 40.186 1.00 0.00 N ATOM 690 CA THR A 45 11.046 34.587 40.249 1.00 0.00 C ATOM 691 C THR A 45 12.327 34.447 39.436 1.00 0.00 C ATOM 692 O THR A 45 13.259 33.753 39.842 1.00 0.00 O ATOM 693 CB THR A 45 11.386 34.916 41.702 1.00 0.00 C ATOM 694 OG1 THR A 45 10.193 35.080 42.454 1.00 0.00 O ATOM 695 CG2 THR A 45 12.236 36.180 41.788 1.00 0.00 C ATOM 0 H THR A 45 10.824 32.503 40.148 1.00 0.00 H new ATOM 0 HA THR A 45 10.451 35.398 39.828 1.00 0.00 H new ATOM 0 HB THR A 45 11.961 34.088 42.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.419 35.289 43.384 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.465 36.394 42.832 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.164 36.033 41.235 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.687 37.018 41.358 1.00 0.00 H new ATOM 703 N LYS A 46 12.369 35.114 38.286 1.00 0.00 N ATOM 704 CA LYS A 46 13.540 35.066 37.415 1.00 0.00 C ATOM 705 C LYS A 46 14.728 35.734 38.095 1.00 0.00 C ATOM 706 O LYS A 46 15.058 36.883 37.802 1.00 0.00 O ATOM 707 CB LYS A 46 13.236 35.764 36.092 1.00 0.00 C ATOM 708 CG LYS A 46 12.557 37.112 36.318 1.00 0.00 C ATOM 709 CD LYS A 46 12.887 38.093 35.196 1.00 0.00 C ATOM 710 CE LYS A 46 11.892 37.974 34.045 1.00 0.00 C ATOM 711 NZ LYS A 46 10.951 39.129 34.020 1.00 0.00 N ATOM 0 H LYS A 46 11.606 35.694 37.936 1.00 0.00 H new ATOM 0 HA LYS A 46 13.788 34.023 37.217 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.161 35.910 35.534 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.593 35.129 35.483 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.478 36.973 36.377 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.877 37.528 37.273 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.876 39.111 35.585 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.896 37.903 34.829 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.431 37.921 33.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.329 37.046 34.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.287 39.019 33.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.420 39.163 34.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.488 40.012 33.902 1.00 0.00 H new ATOM 725 N GLY A 47 15.364 35.007 39.008 1.00 0.00 N ATOM 726 CA GLY A 47 16.515 35.528 39.737 1.00 0.00 C ATOM 727 C GLY A 47 17.813 34.930 39.210 1.00 0.00 C ATOM 728 O GLY A 47 18.885 35.513 39.374 1.00 0.00 O ATOM 0 H GLY A 47 15.101 34.054 39.261 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.547 36.614 39.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.411 35.301 40.798 1.00 0.00 H new ATOM 732 N GLU A 48 17.716 33.765 38.577 1.00 0.00 N ATOM 733 CA GLU A 48 18.887 33.094 38.030 1.00 0.00 C ATOM 734 C GLU A 48 19.336 33.773 36.746 1.00 0.00 C ATOM 735 O GLU A 48 18.745 34.762 36.312 1.00 0.00 O ATOM 736 CB GLU A 48 18.564 31.631 37.750 1.00 0.00 C ATOM 737 CG GLU A 48 19.171 30.719 38.812 1.00 0.00 C ATOM 738 CD GLU A 48 20.290 29.880 38.208 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.023 30.401 37.342 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.431 28.704 38.603 1.00 0.00 O ATOM 0 H GLU A 48 16.838 33.267 38.431 1.00 0.00 H new ATOM 0 HA GLU A 48 19.694 33.153 38.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.483 31.493 37.723 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.945 31.353 36.767 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.559 31.317 39.636 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.401 30.068 39.226 1.00 0.00 H new ATOM 747 N GLY A 49 20.383 33.230 36.137 1.00 0.00 N ATOM 748 CA GLY A 49 20.914 33.772 34.894 1.00 0.00 C ATOM 749 C GLY A 49 20.667 32.801 33.748 1.00 0.00 C ATOM 750 O GLY A 49 21.518 32.624 32.876 1.00 0.00 O ATOM 0 H GLY A 49 20.882 32.412 36.486 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.443 34.730 34.676 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.983 33.959 34.998 1.00 0.00 H new ATOM 754 N GLY A 50 19.495 32.172 33.758 1.00 0.00 N ATOM 755 CA GLY A 50 19.133 31.213 32.719 1.00 0.00 C ATOM 756 C GLY A 50 17.926 30.376 33.133 1.00 0.00 C ATOM 757 O GLY A 50 17.173 29.904 32.282 1.00 0.00 O ATOM 0 H GLY A 50 18.781 32.309 34.473 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.910 31.743 31.793 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.980 30.558 32.515 1.00 0.00 H new ATOM 761 N VAL A 51 17.745 30.188 34.439 1.00 0.00 N ATOM 762 CA VAL A 51 16.625 29.398 34.945 1.00 0.00 C ATOM 763 C VAL A 51 15.784 30.216 35.914 1.00 0.00 C ATOM 764 O VAL A 51 16.035 31.403 36.122 1.00 0.00 O ATOM 765 CB VAL A 51 17.143 28.143 35.640 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.550 27.093 34.610 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.317 28.481 36.555 1.00 0.00 C ATOM 0 H VAL A 51 18.355 30.569 35.162 1.00 0.00 H new ATOM 0 HA VAL A 51 15.999 29.109 34.101 1.00 0.00 H new ATOM 0 HB VAL A 51 16.340 27.732 36.252 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.917 26.204 35.122 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.687 26.829 33.999 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.337 27.495 33.972 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.672 27.573 37.042 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.124 28.916 35.966 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.994 29.196 37.312 1.00 0.00 H new ATOM 777 N TRP A 52 14.778 29.574 36.498 1.00 0.00 N ATOM 778 CA TRP A 52 13.889 30.240 37.442 1.00 0.00 C ATOM 779 C TRP A 52 14.149 29.754 38.862 1.00 0.00 C ATOM 780 O TRP A 52 14.337 28.561 39.098 1.00 0.00 O ATOM 781 CB TRP A 52 12.437 29.971 37.062 1.00 0.00 C ATOM 782 CG TRP A 52 12.207 30.039 35.585 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.605 29.093 34.805 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.584 31.115 34.701 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.589 29.533 33.511 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.175 30.758 33.411 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.224 32.343 34.880 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.387 31.582 32.318 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.440 33.173 33.788 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.023 32.794 32.518 1.00 0.00 C ATOM 0 H TRP A 52 14.558 28.592 36.334 1.00 0.00 H new ATOM 0 HA TRP A 52 14.082 31.312 37.402 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.146 28.986 37.426 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.794 30.697 37.560 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.207 28.152 35.154 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.192 29.015 32.727 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.550 32.646 35.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.063 31.285 31.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.937 34.122 33.927 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.197 33.452 31.679 1.00 0.00 H new ATOM 801 N THR A 53 14.147 30.689 39.805 1.00 0.00 N ATOM 802 CA THR A 53 14.372 30.369 41.210 1.00 0.00 C ATOM 803 C THR A 53 13.291 31.016 42.065 1.00 0.00 C ATOM 804 O THR A 53 12.914 32.163 41.834 1.00 0.00 O ATOM 805 CB THR A 53 15.748 30.863 41.646 1.00 0.00 C ATOM 806 OG1 THR A 53 16.014 32.129 41.064 1.00 0.00 O ATOM 807 CG2 THR A 53 16.833 29.866 41.249 1.00 0.00 C ATOM 0 H THR A 53 13.991 31.680 39.621 1.00 0.00 H new ATOM 0 HA THR A 53 14.330 29.288 41.340 1.00 0.00 H new ATOM 0 HB THR A 53 15.752 30.959 42.732 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.898 32.441 41.349 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.805 30.239 41.570 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.637 28.906 41.727 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.832 29.740 40.166 1.00 0.00 H new ATOM 815 N PHE A 54 12.788 30.275 43.046 1.00 0.00 N ATOM 816 CA PHE A 54 11.740 30.784 43.925 1.00 0.00 C ATOM 817 C PHE A 54 12.177 30.714 45.383 1.00 0.00 C ATOM 818 O PHE A 54 12.655 29.681 45.850 1.00 0.00 O ATOM 819 CB PHE A 54 10.460 29.976 43.727 1.00 0.00 C ATOM 820 CG PHE A 54 9.320 30.454 44.591 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.483 31.462 44.141 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.108 29.885 45.837 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.436 31.900 44.934 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.061 30.323 46.630 1.00 0.00 C ATOM 825 CZ PHE A 54 7.225 31.330 46.178 1.00 0.00 C ATOM 0 H PHE A 54 13.088 29.322 43.253 1.00 0.00 H new ATOM 0 HA PHE A 54 11.552 31.827 43.671 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.162 30.029 42.680 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.661 28.928 43.948 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.647 31.907 43.171 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.760 29.099 46.190 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.784 32.686 44.582 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.896 29.879 47.601 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.408 31.671 46.796 1.00 0.00 H new ATOM 835 N ASP A 55 12.004 31.821 46.099 1.00 0.00 N ATOM 836 CA ASP A 55 12.374 31.887 47.509 1.00 0.00 C ATOM 837 C ASP A 55 11.324 31.182 48.357 1.00 0.00 C ATOM 838 O ASP A 55 10.217 31.689 48.539 1.00 0.00 O ATOM 839 CB ASP A 55 12.507 33.343 47.946 1.00 0.00 C ATOM 840 CG ASP A 55 13.202 33.426 49.299 1.00 0.00 C ATOM 841 OD1 ASP A 55 14.411 33.119 49.367 1.00 0.00 O ATOM 842 OD2 ASP A 55 12.537 33.798 50.288 1.00 0.00 O ATOM 0 H ASP A 55 11.610 32.685 45.726 1.00 0.00 H new ATOM 0 HA ASP A 55 13.333 31.387 47.647 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.075 33.903 47.203 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.521 33.803 48.007 1.00 0.00 H new ATOM 847 N SER A 56 11.674 30.007 48.870 1.00 0.00 N ATOM 848 CA SER A 56 10.756 29.228 49.695 1.00 0.00 C ATOM 849 C SER A 56 10.871 29.636 51.157 1.00 0.00 C ATOM 850 O SER A 56 11.941 30.029 51.621 1.00 0.00 O ATOM 851 CB SER A 56 11.058 27.739 49.547 1.00 0.00 C ATOM 852 OG SER A 56 10.361 27.198 48.435 1.00 0.00 O ATOM 0 H SER A 56 12.586 29.573 48.729 1.00 0.00 H new ATOM 0 HA SER A 56 9.738 29.424 49.359 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.130 27.590 49.419 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.770 27.211 50.456 1.00 0.00 H new ATOM 0 HG SER A 56 10.694 26.296 48.248 1.00 0.00 H new ATOM 858 N GLU A 57 9.760 29.536 51.880 1.00 0.00 N ATOM 859 CA GLU A 57 9.728 29.891 53.294 1.00 0.00 C ATOM 860 C GLU A 57 9.252 28.707 54.124 1.00 0.00 C ATOM 861 O GLU A 57 9.800 28.422 55.189 1.00 0.00 O ATOM 862 CB GLU A 57 8.800 31.083 53.510 1.00 0.00 C ATOM 863 CG GLU A 57 9.562 32.401 53.414 1.00 0.00 C ATOM 864 CD GLU A 57 9.098 33.357 54.505 1.00 0.00 C ATOM 865 OE1 GLU A 57 8.894 32.900 55.649 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.939 34.561 54.213 1.00 0.00 O ATOM 0 H GLU A 57 8.868 29.211 51.508 1.00 0.00 H new ATOM 0 HA GLU A 57 10.736 30.160 53.611 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.003 31.066 52.767 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.325 31.005 54.488 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.632 32.219 53.511 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.403 32.851 52.434 1.00 0.00 H new ATOM 873 N GLU A 58 8.229 28.018 53.629 1.00 0.00 N ATOM 874 CA GLU A 58 7.675 26.861 54.323 1.00 0.00 C ATOM 875 C GLU A 58 8.765 25.830 54.591 1.00 0.00 C ATOM 876 O GLU A 58 9.852 25.899 54.017 1.00 0.00 O ATOM 877 CB GLU A 58 6.562 26.236 53.486 1.00 0.00 C ATOM 878 CG GLU A 58 7.069 25.833 52.104 1.00 0.00 C ATOM 879 CD GLU A 58 6.735 26.915 51.084 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.546 27.051 50.728 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.664 27.623 50.642 1.00 0.00 O ATOM 0 H GLU A 58 7.766 28.241 52.748 1.00 0.00 H new ATOM 0 HA GLU A 58 7.263 27.190 55.277 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.165 25.361 54.000 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.740 26.944 53.382 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.147 25.674 52.136 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.616 24.888 51.804 1.00 0.00 H new ATOM 888 N PRO A 59 8.486 24.857 55.473 1.00 0.00 N ATOM 889 CA PRO A 59 9.415 23.803 55.840 1.00 0.00 C ATOM 890 C PRO A 59 9.228 22.528 55.017 1.00 0.00 C ATOM 891 O PRO A 59 9.878 21.516 55.278 1.00 0.00 O ATOM 892 CB PRO A 59 9.068 23.566 57.302 1.00 0.00 C ATOM 893 CG PRO A 59 7.665 24.040 57.494 1.00 0.00 C ATOM 894 CD PRO A 59 7.237 24.681 56.209 1.00 0.00 C ATOM 0 HA PRO A 59 10.454 24.080 55.662 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.157 22.509 57.554 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.752 24.108 57.955 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.008 23.208 57.747 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.608 24.752 58.317 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.536 24.051 55.662 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.739 25.634 56.384 1.00 0.00 H new ATOM 902 N LEU A 60 8.343 22.578 54.024 1.00 0.00 N ATOM 903 CA LEU A 60 8.086 21.421 53.174 1.00 0.00 C ATOM 904 C LEU A 60 8.759 21.599 51.819 1.00 0.00 C ATOM 905 O LEU A 60 8.272 22.341 50.965 1.00 0.00 O ATOM 906 CB LEU A 60 6.583 21.231 52.990 1.00 0.00 C ATOM 907 CG LEU A 60 6.002 20.341 54.085 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.287 21.185 55.137 1.00 0.00 C ATOM 909 CD2 LEU A 60 5.049 19.308 53.489 1.00 0.00 C ATOM 0 H LEU A 60 7.794 23.405 53.790 1.00 0.00 H new ATOM 0 HA LEU A 60 8.500 20.535 53.656 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.087 22.201 53.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.387 20.787 52.014 1.00 0.00 H new ATOM 0 HG LEU A 60 6.823 19.811 54.568 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.879 20.534 55.910 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.994 21.882 55.586 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.477 21.742 54.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.645 18.683 54.286 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.232 19.818 52.979 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.588 18.684 52.776 1.00 0.00 H new ATOM 921 N GLN A 61 9.883 20.917 51.630 1.00 0.00 N ATOM 922 CA GLN A 61 10.630 20.999 50.380 1.00 0.00 C ATOM 923 C GLN A 61 10.795 19.615 49.767 1.00 0.00 C ATOM 924 O GLN A 61 11.875 19.027 49.821 1.00 0.00 O ATOM 925 CB GLN A 61 12.002 21.617 50.633 1.00 0.00 C ATOM 926 CG GLN A 61 11.892 23.112 50.920 1.00 0.00 C ATOM 927 CD GLN A 61 12.983 23.872 50.178 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.123 23.416 50.091 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.634 25.036 49.641 1.00 0.00 N ATOM 0 H GLN A 61 10.298 20.300 52.328 1.00 0.00 H new ATOM 0 HA GLN A 61 10.074 21.627 49.684 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.479 21.117 51.476 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.641 21.457 49.765 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.912 23.477 50.614 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.978 23.291 51.992 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.677 25.376 49.738 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.323 25.590 49.132 1.00 0.00 H new ATOM 938 N GLY A 62 9.719 19.097 49.184 1.00 0.00 N ATOM 939 CA GLY A 62 9.747 17.779 48.560 1.00 0.00 C ATOM 940 C GLY A 62 9.092 17.819 47.183 1.00 0.00 C ATOM 941 O GLY A 62 9.706 18.257 46.209 1.00 0.00 O ATOM 0 H GLY A 62 8.817 19.570 49.131 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.778 17.437 48.468 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.228 17.060 49.194 1.00 0.00 H new ATOM 945 N PRO A 63 7.832 17.361 47.081 1.00 0.00 N ATOM 946 CA PRO A 63 7.097 17.347 45.811 1.00 0.00 C ATOM 947 C PRO A 63 6.550 18.724 45.451 1.00 0.00 C ATOM 948 O PRO A 63 5.602 19.207 46.071 1.00 0.00 O ATOM 949 CB PRO A 63 5.962 16.363 46.054 1.00 0.00 C ATOM 950 CG PRO A 63 5.742 16.358 47.534 1.00 0.00 C ATOM 951 CD PRO A 63 7.024 16.820 48.188 1.00 0.00 C ATOM 0 HA PRO A 63 7.737 17.065 44.975 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.059 16.668 45.525 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.222 15.368 45.693 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.917 17.018 47.801 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.475 15.359 47.878 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.831 17.579 48.946 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.535 15.996 48.686 1.00 0.00 H new ATOM 959 N PHE A 64 7.154 19.351 44.448 1.00 0.00 N ATOM 960 CA PHE A 64 6.730 20.674 44.004 1.00 0.00 C ATOM 961 C PHE A 64 5.729 20.555 42.861 1.00 0.00 C ATOM 962 O PHE A 64 5.571 19.488 42.269 1.00 0.00 O ATOM 963 CB PHE A 64 7.941 21.484 43.548 1.00 0.00 C ATOM 964 CG PHE A 64 8.889 21.811 44.674 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.424 22.455 45.809 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.228 21.468 44.574 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.297 22.756 46.842 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.100 21.769 45.607 1.00 0.00 C ATOM 969 CZ PHE A 64 10.635 22.413 46.741 1.00 0.00 C ATOM 0 H PHE A 64 7.940 18.964 43.926 1.00 0.00 H new ATOM 0 HA PHE A 64 6.251 21.184 44.839 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.476 20.926 42.780 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.599 22.411 43.088 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.381 22.723 45.889 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.592 20.966 43.690 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.934 23.258 47.726 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.143 21.501 45.528 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.315 22.648 47.546 1.00 0.00 H new ATOM 979 N ASN A 65 5.057 21.660 42.553 1.00 0.00 N ATOM 980 CA ASN A 65 4.072 21.687 41.477 1.00 0.00 C ATOM 981 C ASN A 65 4.285 22.918 40.606 1.00 0.00 C ATOM 982 O ASN A 65 4.709 23.966 41.094 1.00 0.00 O ATOM 983 CB ASN A 65 2.662 21.698 42.059 1.00 0.00 C ATOM 984 CG ASN A 65 2.534 20.646 43.153 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.915 19.601 42.954 1.00 0.00 O ATOM 986 ND2 ASN A 65 3.119 20.922 44.313 1.00 0.00 N ATOM 0 H ASN A 65 5.177 22.551 43.035 1.00 0.00 H new ATOM 0 HA ASN A 65 4.195 20.794 40.864 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.436 22.684 42.465 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.934 21.504 41.271 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.065 20.255 45.083 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.622 21.801 44.434 1.00 0.00 H new ATOM 993 N PHE A 66 3.996 22.788 39.316 1.00 0.00 N ATOM 994 CA PHE A 66 4.166 23.897 38.384 1.00 0.00 C ATOM 995 C PHE A 66 3.023 23.943 37.377 1.00 0.00 C ATOM 996 O PHE A 66 2.161 23.063 37.354 1.00 0.00 O ATOM 997 CB PHE A 66 5.497 23.759 37.650 1.00 0.00 C ATOM 998 CG PHE A 66 6.687 24.022 38.538 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.188 23.011 39.343 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.283 25.272 38.548 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.282 23.252 40.157 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.377 25.513 39.362 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.877 24.502 40.167 1.00 0.00 C ATOM 0 H PHE A 66 3.644 21.929 38.893 1.00 0.00 H new ATOM 0 HA PHE A 66 4.160 24.826 38.953 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.575 22.754 37.235 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.517 24.453 36.810 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.725 22.035 39.335 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.894 26.060 37.920 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.671 22.464 40.785 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.840 26.489 39.369 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.730 24.689 40.802 1.00 0.00 H new ATOM 1013 N ARG A 67 3.029 24.979 36.545 1.00 0.00 N ATOM 1014 CA ARG A 67 2.003 25.164 35.523 1.00 0.00 C ATOM 1015 C ARG A 67 2.303 26.424 34.721 1.00 0.00 C ATOM 1016 O ARG A 67 1.523 27.376 34.722 1.00 0.00 O ATOM 1017 CB ARG A 67 0.626 25.271 36.173 1.00 0.00 C ATOM 1018 CG ARG A 67 0.646 26.233 37.358 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.701 26.258 38.075 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.746 26.726 37.172 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.793 27.986 36.750 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -1.090 28.359 35.690 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.544 28.873 37.389 1.00 0.00 N ATOM 0 H ARG A 67 3.740 25.710 36.559 1.00 0.00 H new ATOM 0 HA ARG A 67 2.006 24.304 34.854 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.101 25.613 35.436 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.302 24.286 36.507 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.427 25.935 38.057 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.894 27.236 37.011 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.945 25.260 38.439 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.645 26.910 38.946 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.460 26.069 36.856 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.512 27.679 35.197 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.127 29.326 35.368 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.086 28.589 38.205 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.579 29.839 37.065 1.00 0.00 H new ATOM 1037 N PHE A 68 3.450 26.423 34.049 1.00 0.00 N ATOM 1038 CA PHE A 68 3.881 27.567 33.249 1.00 0.00 C ATOM 1039 C PHE A 68 2.845 27.914 32.190 1.00 0.00 C ATOM 1040 O PHE A 68 1.859 27.199 32.008 1.00 0.00 O ATOM 1041 CB PHE A 68 5.221 27.265 32.582 1.00 0.00 C ATOM 1042 CG PHE A 68 5.320 25.851 32.063 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.367 25.365 31.184 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.366 25.036 32.467 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.458 24.067 30.708 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.457 23.738 31.992 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.504 23.253 31.113 1.00 0.00 C ATOM 0 H PHE A 68 4.102 25.638 34.042 1.00 0.00 H new ATOM 0 HA PHE A 68 3.993 28.423 33.914 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.374 27.960 31.756 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.024 27.440 33.298 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.551 25.999 30.869 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.110 25.413 33.152 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.714 23.690 30.022 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.272 23.104 32.308 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.576 22.241 30.743 1.00 0.00 H new ATOM 1057 N LEU A 69 3.080 29.021 31.492 1.00 0.00 N ATOM 1058 CA LEU A 69 2.175 29.482 30.441 1.00 0.00 C ATOM 1059 C LEU A 69 2.977 29.926 29.225 1.00 0.00 C ATOM 1060 O LEU A 69 3.178 31.120 29.016 1.00 0.00 O ATOM 1061 CB LEU A 69 1.319 30.653 30.938 1.00 0.00 C ATOM 1062 CG LEU A 69 1.026 30.563 32.437 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.456 31.883 32.949 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.062 29.416 32.727 1.00 0.00 C ATOM 0 H LEU A 69 3.894 29.619 31.635 1.00 0.00 H new ATOM 0 HA LEU A 69 1.519 28.656 30.168 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.832 31.591 30.726 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.379 30.673 30.387 1.00 0.00 H new ATOM 0 HG LEU A 69 1.962 30.365 32.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.253 31.802 34.017 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.177 32.682 32.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.470 32.109 32.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.134 29.368 33.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.874 29.583 32.194 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.505 28.476 32.397 1.00 0.00 H new ATOM 1076 N THR A 70 3.437 28.959 28.429 1.00 0.00 N ATOM 1077 CA THR A 70 4.232 29.240 27.225 1.00 0.00 C ATOM 1078 C THR A 70 3.714 30.476 26.491 1.00 0.00 C ATOM 1079 O THR A 70 2.535 30.816 26.588 1.00 0.00 O ATOM 1080 CB THR A 70 4.195 28.035 26.290 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.873 27.828 25.817 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.698 26.782 27.001 1.00 0.00 C ATOM 0 H THR A 70 3.273 27.966 28.596 1.00 0.00 H new ATOM 0 HA THR A 70 5.258 29.435 27.536 1.00 0.00 H new ATOM 0 HB THR A 70 4.851 28.236 25.443 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.900 27.580 24.869 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.663 25.936 26.315 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.725 26.939 27.331 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.066 26.576 27.865 1.00 0.00 H new ATOM 1090 N GLU A 71 4.604 31.147 25.760 1.00 0.00 N ATOM 1091 CA GLU A 71 4.232 32.348 25.015 1.00 0.00 C ATOM 1092 C GLU A 71 2.980 32.091 24.184 1.00 0.00 C ATOM 1093 O GLU A 71 2.155 32.984 23.992 1.00 0.00 O ATOM 1094 CB GLU A 71 5.373 32.786 24.096 1.00 0.00 C ATOM 1095 CG GLU A 71 6.719 32.802 24.817 1.00 0.00 C ATOM 1096 CD GLU A 71 7.625 33.870 24.219 1.00 0.00 C ATOM 1097 OE1 GLU A 71 8.250 33.603 23.171 1.00 0.00 O ATOM 1098 OE2 GLU A 71 7.710 34.972 24.801 1.00 0.00 O ATOM 0 H GLU A 71 5.584 30.880 25.668 1.00 0.00 H new ATOM 0 HA GLU A 71 4.029 33.143 25.733 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.428 32.112 23.241 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.161 33.781 23.704 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.568 32.996 25.879 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.195 31.825 24.736 1.00 0.00 H new ATOM 1105 N LYS A 72 2.846 30.863 23.692 1.00 0.00 N ATOM 1106 CA LYS A 72 1.695 30.483 22.879 1.00 0.00 C ATOM 1107 C LYS A 72 0.420 30.530 23.711 1.00 0.00 C ATOM 1108 O LYS A 72 -0.644 30.898 23.213 1.00 0.00 O ATOM 1109 CB LYS A 72 1.896 29.079 22.316 1.00 0.00 C ATOM 1110 CG LYS A 72 1.402 28.984 20.875 1.00 0.00 C ATOM 1111 CD LYS A 72 -0.090 28.672 20.822 1.00 0.00 C ATOM 1112 CE LYS A 72 -0.361 27.208 21.155 1.00 0.00 C ATOM 1113 NZ LYS A 72 -1.740 26.809 20.755 1.00 0.00 N ATOM 0 H LYS A 72 3.521 30.113 23.842 1.00 0.00 H new ATOM 0 HA LYS A 72 1.601 31.189 22.054 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.953 28.816 22.359 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.362 28.357 22.934 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.598 29.923 20.358 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.957 28.208 20.348 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.623 29.312 21.525 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.476 28.899 19.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.365 26.576 20.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.229 27.045 22.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.895 25.809 20.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.432 27.397 21.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.856 26.942 19.730 1.00 0.00 H new ATOM 1127 N GLY A 73 0.534 30.155 24.980 1.00 0.00 N ATOM 1128 CA GLY A 73 -0.611 30.154 25.886 1.00 0.00 C ATOM 1129 C GLY A 73 -0.980 28.734 26.297 1.00 0.00 C ATOM 1130 O GLY A 73 -2.118 28.467 26.684 1.00 0.00 O ATOM 0 H GLY A 73 1.408 29.847 25.406 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.379 30.744 26.772 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.464 30.629 25.401 1.00 0.00 H new ATOM 1134 N MET A 74 -0.014 27.823 26.213 1.00 0.00 N ATOM 1135 CA MET A 74 -0.243 26.430 26.580 1.00 0.00 C ATOM 1136 C MET A 74 0.132 26.199 28.038 1.00 0.00 C ATOM 1137 O MET A 74 1.295 26.339 28.418 1.00 0.00 O ATOM 1138 CB MET A 74 0.579 25.512 25.680 1.00 0.00 C ATOM 1139 CG MET A 74 -0.298 24.838 24.629 1.00 0.00 C ATOM 1140 SD MET A 74 -0.312 23.046 24.791 1.00 0.00 S ATOM 1141 CE MET A 74 -0.781 22.556 23.124 1.00 0.00 C ATOM 0 H MET A 74 0.934 28.025 25.894 1.00 0.00 H new ATOM 0 HA MET A 74 -1.301 26.203 26.450 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.363 26.088 25.188 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.074 24.753 26.286 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.317 25.215 24.714 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.059 25.107 23.635 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.832 21.469 23.065 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.756 22.979 22.881 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.039 22.923 22.415 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.858 25.847 28.851 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.629 25.598 30.271 1.00 0.00 C ATOM 1153 C LYS A 75 -0.862 24.130 30.595 1.00 0.00 C ATOM 1154 O LYS A 75 -1.306 23.357 29.746 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.558 26.465 31.119 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.694 27.870 30.540 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.918 27.973 29.638 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.341 29.427 29.442 1.00 0.00 C ATOM 1159 NZ LYS A 75 -4.615 29.524 28.675 1.00 0.00 N ATOM 0 H LYS A 75 -1.826 25.728 28.552 1.00 0.00 H new ATOM 0 HA LYS A 75 0.405 25.854 30.502 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.541 25.998 31.177 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.173 26.525 32.137 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.773 28.595 31.350 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.798 28.122 29.973 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.698 27.522 28.670 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.742 27.408 30.073 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.462 29.906 30.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.555 29.968 28.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.875 30.524 28.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.491 29.088 27.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.369 29.028 29.191 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.559 23.754 31.832 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.730 22.378 32.288 1.00 0.00 C ATOM 1175 C ASN A 76 -0.100 22.203 33.664 1.00 0.00 C ATOM 1176 O ASN A 76 1.052 22.578 33.880 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.085 21.410 31.298 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.148 20.537 30.644 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.055 20.041 31.312 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.037 20.348 29.334 1.00 0.00 N ATOM 0 H ASN A 76 -0.191 24.387 32.542 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.796 22.161 32.352 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.458 21.968 30.535 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.643 20.784 31.813 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.720 19.772 28.842 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.269 20.779 28.820 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.859 21.632 34.592 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.368 21.410 35.948 1.00 0.00 C ATOM 1189 C VAL A 77 0.579 20.219 35.979 1.00 0.00 C ATOM 1190 O VAL A 77 0.491 19.321 35.141 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.539 21.171 36.898 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.033 20.914 38.315 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.494 22.361 36.879 1.00 0.00 C ATOM 0 H VAL A 77 -1.815 21.315 34.431 1.00 0.00 H new ATOM 0 HA VAL A 77 0.175 22.298 36.271 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.082 20.288 36.561 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.881 20.746 38.979 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.390 20.034 38.318 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.467 21.779 38.662 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.323 22.173 37.562 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.962 23.259 37.192 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.880 22.501 35.869 1.00 0.00 H new ATOM 1203 N PHE A 78 1.488 20.216 36.948 1.00 0.00 N ATOM 1204 CA PHE A 78 2.456 19.133 37.086 1.00 0.00 C ATOM 1205 C PHE A 78 2.644 18.766 38.552 1.00 0.00 C ATOM 1206 O PHE A 78 3.058 19.594 39.362 1.00 0.00 O ATOM 1207 CB PHE A 78 3.793 19.547 36.478 1.00 0.00 C ATOM 1208 CG PHE A 78 3.687 19.914 35.019 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.589 18.921 34.059 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.685 21.246 34.639 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.490 19.259 32.719 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.587 21.584 33.299 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.489 20.591 32.339 1.00 0.00 C ATOM 0 H PHE A 78 1.575 20.951 37.650 1.00 0.00 H new ATOM 0 HA PHE A 78 2.076 18.260 36.555 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.191 20.397 37.033 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.506 18.730 36.591 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.590 17.882 34.355 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.760 22.021 35.387 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.414 18.484 31.971 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.587 22.623 33.003 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.412 20.855 31.295 1.00 0.00 H new ATOM 1223 N ASP A 79 2.340 17.516 38.885 1.00 0.00 N ATOM 1224 CA ASP A 79 2.477 17.029 40.254 1.00 0.00 C ATOM 1225 C ASP A 79 3.690 16.113 40.365 1.00 0.00 C ATOM 1226 O ASP A 79 4.089 15.477 39.390 1.00 0.00 O ATOM 1227 CB ASP A 79 1.215 16.277 40.667 1.00 0.00 C ATOM 1228 CG ASP A 79 1.201 16.057 42.174 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.925 15.158 42.651 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.465 16.784 42.874 1.00 0.00 O ATOM 0 H ASP A 79 1.996 16.820 38.224 1.00 0.00 H new ATOM 0 HA ASP A 79 2.617 17.880 40.920 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.332 16.842 40.367 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.170 15.317 40.152 1.00 0.00 H new ATOM 1235 N ASP A 80 4.277 16.053 41.556 1.00 0.00 N ATOM 1236 CA ASP A 80 5.450 15.216 41.787 1.00 0.00 C ATOM 1237 C ASP A 80 6.548 15.569 40.791 1.00 0.00 C ATOM 1238 O ASP A 80 6.969 14.732 39.993 1.00 0.00 O ATOM 1239 CB ASP A 80 5.076 13.743 41.648 1.00 0.00 C ATOM 1240 CG ASP A 80 5.941 12.890 42.568 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.882 13.438 43.179 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.675 11.674 42.676 1.00 0.00 O ATOM 0 H ASP A 80 3.961 16.573 42.375 1.00 0.00 H new ATOM 0 HA ASP A 80 5.817 15.395 42.797 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.023 13.603 41.894 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.207 13.423 40.614 1.00 0.00 H new ATOM 1247 N VAL A 81 7.003 16.817 40.839 1.00 0.00 N ATOM 1248 CA VAL A 81 8.049 17.289 39.937 1.00 0.00 C ATOM 1249 C VAL A 81 9.429 17.192 40.590 1.00 0.00 C ATOM 1250 O VAL A 81 10.445 17.401 39.928 1.00 0.00 O ATOM 1251 CB VAL A 81 7.763 18.733 39.528 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.875 19.273 38.631 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.414 18.829 38.820 1.00 0.00 C ATOM 0 H VAL A 81 6.663 17.521 41.494 1.00 0.00 H new ATOM 0 HA VAL A 81 8.051 16.653 39.052 1.00 0.00 H new ATOM 0 HB VAL A 81 7.727 19.342 40.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.650 20.302 38.352 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.823 19.241 39.168 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.947 18.661 37.732 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.225 19.864 38.535 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.426 18.204 37.927 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.626 18.488 39.491 1.00 0.00 H new ATOM 1263 N VAL A 82 9.471 16.874 41.883 1.00 0.00 N ATOM 1264 CA VAL A 82 10.738 16.754 42.596 1.00 0.00 C ATOM 1265 C VAL A 82 10.578 15.852 43.818 1.00 0.00 C ATOM 1266 O VAL A 82 9.641 16.017 44.599 1.00 0.00 O ATOM 1267 CB VAL A 82 11.224 18.132 43.034 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.557 18.021 43.771 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.352 19.064 41.832 1.00 0.00 C ATOM 0 H VAL A 82 8.645 16.696 42.455 1.00 0.00 H new ATOM 0 HA VAL A 82 11.473 16.311 41.924 1.00 0.00 H new ATOM 0 HB VAL A 82 10.487 18.554 43.718 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.888 19.014 44.076 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.434 17.393 44.653 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.302 17.577 43.111 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.700 20.042 42.165 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.067 18.647 41.123 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.381 19.170 41.349 1.00 0.00 H new ATOM 1279 N PRO A 83 11.495 14.885 44.002 1.00 0.00 N ATOM 1280 CA PRO A 83 11.448 13.957 45.144 1.00 0.00 C ATOM 1281 C PRO A 83 11.843 14.639 46.449 1.00 0.00 C ATOM 1282 O PRO A 83 12.092 15.844 46.479 1.00 0.00 O ATOM 1283 CB PRO A 83 12.460 12.878 44.783 1.00 0.00 C ATOM 1284 CG PRO A 83 13.417 13.539 43.847 1.00 0.00 C ATOM 1285 CD PRO A 83 12.647 14.614 43.123 1.00 0.00 C ATOM 0 HA PRO A 83 10.443 13.569 45.309 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.971 12.504 45.670 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.974 12.024 44.312 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.258 13.967 44.393 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.829 12.817 43.142 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.254 15.507 42.974 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.326 14.279 42.137 1.00 0.00 H new ATOM 1293 N GLU A 84 11.908 13.859 47.524 1.00 0.00 N ATOM 1294 CA GLU A 84 12.286 14.387 48.831 1.00 0.00 C ATOM 1295 C GLU A 84 13.803 14.467 48.935 1.00 0.00 C ATOM 1296 O GLU A 84 14.509 13.540 48.538 1.00 0.00 O ATOM 1297 CB GLU A 84 11.733 13.495 49.937 1.00 0.00 C ATOM 1298 CG GLU A 84 10.631 14.204 50.719 1.00 0.00 C ATOM 1299 CD GLU A 84 9.692 13.185 51.350 1.00 0.00 C ATOM 1300 OE1 GLU A 84 9.053 12.419 50.598 1.00 0.00 O ATOM 1301 OE2 GLU A 84 9.597 13.154 52.595 1.00 0.00 O ATOM 0 H GLU A 84 11.704 12.860 47.516 1.00 0.00 H new ATOM 0 HA GLU A 84 11.867 15.387 48.945 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.341 12.575 49.504 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.538 13.210 50.615 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.071 14.831 51.494 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.071 14.863 50.055 1.00 0.00 H new ATOM 1308 N LYS A 85 14.304 15.581 49.458 1.00 0.00 N ATOM 1309 CA LYS A 85 15.743 15.775 49.597 1.00 0.00 C ATOM 1310 C LYS A 85 16.409 15.654 48.233 1.00 0.00 C ATOM 1311 O LYS A 85 17.400 14.941 48.071 1.00 0.00 O ATOM 1312 CB LYS A 85 16.320 14.738 50.556 1.00 0.00 C ATOM 1313 CG LYS A 85 17.480 15.315 51.363 1.00 0.00 C ATOM 1314 CD LYS A 85 17.274 15.099 52.859 1.00 0.00 C ATOM 1315 CE LYS A 85 17.866 16.248 53.670 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.098 15.849 55.086 1.00 0.00 N ATOM 0 H LYS A 85 13.737 16.361 49.792 1.00 0.00 H new ATOM 0 HA LYS A 85 15.934 16.769 50.001 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.539 14.392 51.233 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.662 13.869 49.993 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.413 14.846 51.050 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.575 16.381 51.157 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.209 15.011 53.073 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.739 14.160 53.161 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.807 16.566 53.221 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.192 17.104 53.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.501 16.651 55.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.195 15.569 55.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.760 15.048 55.117 1.00 0.00 H new ATOM 1330 N TYR A 86 15.846 16.353 47.251 1.00 0.00 N ATOM 1331 CA TYR A 86 16.359 16.336 45.881 1.00 0.00 C ATOM 1332 C TYR A 86 17.880 16.434 45.855 1.00 0.00 C ATOM 1333 O TYR A 86 18.499 16.939 46.791 1.00 0.00 O ATOM 1334 CB TYR A 86 15.759 17.496 45.092 1.00 0.00 C ATOM 1335 CG TYR A 86 16.103 18.840 45.683 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.291 19.465 45.342 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.233 19.450 46.569 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.606 20.699 45.887 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.549 20.684 47.114 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.734 21.302 46.771 1.00 0.00 C ATOM 1341 OH TYR A 86 17.047 22.528 47.314 1.00 0.00 O ATOM 0 H TYR A 86 15.025 16.945 47.380 1.00 0.00 H new ATOM 0 HA TYR A 86 16.071 15.389 45.425 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.116 17.454 44.063 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.675 17.385 45.058 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.972 18.990 44.651 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.306 18.964 46.836 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.531 21.188 45.621 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.870 21.161 47.805 1.00 0.00 H new ATOM 0 HH TYR A 86 16.327 22.813 47.915 1.00 0.00 H new ATOM 1351 N THR A 87 18.471 15.951 44.767 1.00 0.00 N ATOM 1352 CA THR A 87 19.919 15.983 44.596 1.00 0.00 C ATOM 1353 C THR A 87 20.267 16.632 43.263 1.00 0.00 C ATOM 1354 O THR A 87 20.128 16.016 42.206 1.00 0.00 O ATOM 1355 CB THR A 87 20.482 14.566 44.650 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.901 13.854 45.731 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.000 14.592 44.799 1.00 0.00 C ATOM 0 H THR A 87 17.966 15.531 43.987 1.00 0.00 H new ATOM 0 HA THR A 87 20.360 16.568 45.403 1.00 0.00 H new ATOM 0 HB THR A 87 20.236 14.062 43.715 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.266 12.945 45.758 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.380 13.571 44.835 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.440 15.113 43.949 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.266 15.111 45.720 1.00 0.00 H new ATOM 1365 N ILE A 88 20.715 17.885 43.318 1.00 0.00 N ATOM 1366 CA ILE A 88 21.079 18.632 42.113 1.00 0.00 C ATOM 1367 C ILE A 88 21.907 17.770 41.164 1.00 0.00 C ATOM 1368 O ILE A 88 22.961 17.256 41.536 1.00 0.00 O ATOM 1369 CB ILE A 88 21.864 19.882 42.498 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.088 20.702 43.525 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.171 20.726 41.264 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.794 20.706 44.878 1.00 0.00 C ATOM 0 H ILE A 88 20.835 18.406 44.186 1.00 0.00 H new ATOM 0 HA ILE A 88 20.163 18.922 41.599 1.00 0.00 H new ATOM 0 HB ILE A 88 22.809 19.571 42.944 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.977 21.726 43.167 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.084 20.293 43.637 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.731 21.613 41.560 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.763 20.140 40.561 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.238 21.028 40.789 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.217 21.298 45.588 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.882 19.684 45.245 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.788 21.139 44.768 1.00 0.00 H new ATOM 1384 N GLY A 89 21.417 17.617 39.938 1.00 0.00 N ATOM 1385 CA GLY A 89 22.106 16.817 38.930 1.00 0.00 C ATOM 1386 C GLY A 89 21.251 15.629 38.507 1.00 0.00 C ATOM 1387 O GLY A 89 21.768 14.547 38.229 1.00 0.00 O ATOM 0 H GLY A 89 20.544 18.037 39.618 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.333 17.435 38.061 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.057 16.463 39.327 1.00 0.00 H new ATOM 1391 N ALA A 90 19.939 15.836 38.461 1.00 0.00 N ATOM 1392 CA ALA A 90 19.007 14.782 38.071 1.00 0.00 C ATOM 1393 C ALA A 90 17.719 15.391 37.532 1.00 0.00 C ATOM 1394 O ALA A 90 17.249 16.413 38.033 1.00 0.00 O ATOM 1395 CB ALA A 90 18.700 13.891 39.271 1.00 0.00 C ATOM 0 H ALA A 90 19.496 16.726 38.689 1.00 0.00 H new ATOM 0 HA ALA A 90 19.465 14.179 37.287 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.004 13.107 38.973 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.623 13.439 39.634 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.253 14.490 40.064 1.00 0.00 H new ATOM 1401 N THR A 91 17.152 14.763 36.506 1.00 0.00 N ATOM 1402 CA THR A 91 15.917 15.252 35.900 1.00 0.00 C ATOM 1403 C THR A 91 14.710 14.524 36.475 1.00 0.00 C ATOM 1404 O THR A 91 14.538 13.323 36.268 1.00 0.00 O ATOM 1405 CB THR A 91 15.963 15.063 34.387 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.230 15.458 33.886 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.857 15.868 33.709 1.00 0.00 C ATOM 0 H THR A 91 17.527 13.917 36.077 1.00 0.00 H new ATOM 0 HA THR A 91 15.823 16.314 36.126 1.00 0.00 H new ATOM 0 HB THR A 91 15.806 14.007 34.166 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.251 15.332 32.914 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.908 15.719 32.630 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.887 15.534 34.076 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.986 16.926 33.936 1.00 0.00 H new ATOM 1415 N TYR A 92 13.875 15.264 37.194 1.00 0.00 N ATOM 1416 CA TYR A 92 12.675 14.706 37.802 1.00 0.00 C ATOM 1417 C TYR A 92 11.467 14.980 36.908 1.00 0.00 C ATOM 1418 O TYR A 92 11.612 15.136 35.696 1.00 0.00 O ATOM 1419 CB TYR A 92 12.475 15.329 39.180 1.00 0.00 C ATOM 1420 CG TYR A 92 13.735 15.323 40.008 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.174 14.150 40.596 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.456 16.492 40.180 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.332 14.145 41.355 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.614 16.486 40.938 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.047 15.313 41.522 1.00 0.00 C ATOM 1426 OH TYR A 92 17.198 15.307 42.277 1.00 0.00 O ATOM 0 H TYR A 92 14.009 16.260 37.371 1.00 0.00 H new ATOM 0 HA TYR A 92 12.784 13.627 37.912 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.126 16.355 39.063 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.694 14.785 39.711 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.613 13.237 40.463 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.115 17.409 39.723 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.674 13.230 41.815 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.178 17.397 41.072 1.00 0.00 H new ATOM 0 HH TYR A 92 17.868 15.885 41.856 1.00 0.00 H new ATOM 1436 N ALA A 93 10.274 15.043 37.504 1.00 0.00 N ATOM 1437 CA ALA A 93 9.044 15.304 36.752 1.00 0.00 C ATOM 1438 C ALA A 93 8.572 14.044 36.036 1.00 0.00 C ATOM 1439 O ALA A 93 9.259 13.023 36.037 1.00 0.00 O ATOM 1440 CB ALA A 93 9.263 16.419 35.734 1.00 0.00 C ATOM 0 H ALA A 93 10.133 14.917 38.506 1.00 0.00 H new ATOM 0 HA ALA A 93 8.278 15.616 37.462 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.338 16.598 35.186 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.560 17.331 36.252 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.047 16.126 35.036 1.00 0.00 H new ATOM 1446 N PRO A 94 7.382 14.104 35.410 1.00 0.00 N ATOM 1447 CA PRO A 94 6.811 12.962 34.682 1.00 0.00 C ATOM 1448 C PRO A 94 7.503 12.732 33.343 1.00 0.00 C ATOM 1449 O PRO A 94 8.069 13.699 32.791 1.00 0.00 O ATOM 1450 CB PRO A 94 5.353 13.350 34.475 1.00 0.00 C ATOM 1451 CG PRO A 94 5.327 14.843 34.518 1.00 0.00 C ATOM 1452 CD PRO A 94 6.501 15.285 35.360 1.00 0.00 C ATOM 0 HA PRO A 94 6.933 12.029 35.232 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.980 12.978 33.521 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.719 12.924 35.253 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.396 15.258 33.513 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.390 15.200 34.946 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.009 16.141 34.916 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.183 15.586 36.358 1.00 0.00 H new