USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=0.000795 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 22:sc= -1.67 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 174:sc= -0.669 USER MOD Single : A 35 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.27) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.828 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 57 SER OG : rot -1:sc= 0.822 USER MOD Single : A 58 ASN : amide:sc= -0.0304 K(o=-0.03,f=-3!) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0.0898 (180deg=0.0698) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 115:sc= -0.015 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 35:sc= 0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.345 20.315 6.406 1.00 0.00 N ATOM 2 CA GLY A 1 4.539 20.077 5.224 1.00 0.00 C ATOM 3 C GLY A 1 5.343 20.179 3.943 1.00 0.00 C ATOM 4 O GLY A 1 4.936 20.855 2.998 1.00 0.00 O ATOM 0 H1 GLY A 1 4.749 20.234 7.255 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.110 19.612 6.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.754 21.270 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.089 19.086 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.722 20.797 5.194 1.00 0.00 H new ATOM 8 N SER A 2 6.490 19.508 3.911 1.00 0.00 N ATOM 9 CA SER A 2 7.357 19.532 2.739 1.00 0.00 C ATOM 10 C SER A 2 6.533 19.556 1.455 1.00 0.00 C ATOM 11 O SER A 2 6.774 20.373 0.565 1.00 0.00 O ATOM 12 CB SER A 2 8.285 18.315 2.740 1.00 0.00 C ATOM 13 OG SER A 2 7.543 17.108 2.784 1.00 0.00 O ATOM 0 H SER A 2 6.840 18.941 4.683 1.00 0.00 H new ATOM 0 HA SER A 2 7.959 20.439 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.910 18.329 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.955 18.365 3.598 1.00 0.00 H new ATOM 0 HG SER A 2 8.158 16.345 2.782 1.00 0.00 H new ATOM 19 N SER A 3 5.561 18.655 1.365 1.00 0.00 N ATOM 20 CA SER A 3 4.703 18.570 0.189 1.00 0.00 C ATOM 21 C SER A 3 3.232 18.538 0.591 1.00 0.00 C ATOM 22 O SER A 3 2.775 17.602 1.246 1.00 0.00 O ATOM 23 CB SER A 3 5.046 17.324 -0.629 1.00 0.00 C ATOM 24 OG SER A 3 6.384 17.372 -1.094 1.00 0.00 O ATOM 0 H SER A 3 5.347 17.973 2.093 1.00 0.00 H new ATOM 0 HA SER A 3 4.876 19.456 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.902 16.433 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.366 17.243 -1.477 1.00 0.00 H new ATOM 0 HG SER A 3 6.579 16.564 -1.613 1.00 0.00 H new ATOM 30 N GLY A 4 2.494 19.571 0.193 1.00 0.00 N ATOM 31 CA GLY A 4 1.082 19.643 0.520 1.00 0.00 C ATOM 32 C GLY A 4 0.678 21.006 1.046 1.00 0.00 C ATOM 33 O GLY A 4 0.846 21.297 2.230 1.00 0.00 O ATOM 0 H GLY A 4 2.849 20.358 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.494 19.411 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.846 18.884 1.266 1.00 0.00 H new ATOM 37 N SER A 5 0.144 21.845 0.164 1.00 0.00 N ATOM 38 CA SER A 5 -0.280 23.187 0.545 1.00 0.00 C ATOM 39 C SER A 5 -1.460 23.130 1.510 1.00 0.00 C ATOM 40 O SER A 5 -1.398 23.668 2.616 1.00 0.00 O ATOM 41 CB SER A 5 -0.661 23.996 -0.697 1.00 0.00 C ATOM 42 OG SER A 5 -0.517 25.386 -0.464 1.00 0.00 O ATOM 0 H SER A 5 -0.005 21.619 -0.819 1.00 0.00 H new ATOM 0 HA SER A 5 0.555 23.676 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.032 23.698 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.691 23.776 -0.976 1.00 0.00 H new ATOM 0 HG SER A 5 -0.765 25.881 -1.273 1.00 0.00 H new ATOM 48 N SER A 6 -2.535 22.475 1.084 1.00 0.00 N ATOM 49 CA SER A 6 -3.731 22.350 1.908 1.00 0.00 C ATOM 50 C SER A 6 -3.605 21.177 2.875 1.00 0.00 C ATOM 51 O SER A 6 -4.119 21.221 3.992 1.00 0.00 O ATOM 52 CB SER A 6 -4.967 22.168 1.025 1.00 0.00 C ATOM 53 OG SER A 6 -4.789 21.098 0.113 1.00 0.00 O ATOM 0 H SER A 6 -2.602 22.022 0.172 1.00 0.00 H new ATOM 0 HA SER A 6 -3.840 23.266 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.839 21.976 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.165 23.089 0.476 1.00 0.00 H new ATOM 0 HG SER A 6 -5.593 21.001 -0.439 1.00 0.00 H new ATOM 59 N GLY A 7 -2.916 20.128 2.436 1.00 0.00 N ATOM 60 CA GLY A 7 -2.734 18.957 3.274 1.00 0.00 C ATOM 61 C GLY A 7 -2.919 17.662 2.508 1.00 0.00 C ATOM 62 O GLY A 7 -1.977 16.885 2.350 1.00 0.00 O ATOM 0 H GLY A 7 -2.481 20.068 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.735 18.978 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.444 18.991 4.100 1.00 0.00 H new ATOM 66 N LYS A 8 -4.137 17.426 2.032 1.00 0.00 N ATOM 67 CA LYS A 8 -4.443 16.216 1.279 1.00 0.00 C ATOM 68 C LYS A 8 -5.031 16.559 -0.087 1.00 0.00 C ATOM 69 O LYS A 8 -6.109 17.146 -0.180 1.00 0.00 O ATOM 70 CB LYS A 8 -5.423 15.338 2.061 1.00 0.00 C ATOM 71 CG LYS A 8 -5.879 14.107 1.298 1.00 0.00 C ATOM 72 CD LYS A 8 -4.820 13.018 1.311 1.00 0.00 C ATOM 73 CE LYS A 8 -5.279 11.783 0.551 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.288 10.675 0.641 1.00 0.00 N ATOM 0 H LYS A 8 -4.929 18.057 2.155 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.513 15.667 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.952 15.024 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.296 15.933 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.800 13.725 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.108 14.381 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.900 13.399 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.588 12.747 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.236 11.447 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.442 12.040 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.638 9.852 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.381 10.987 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.152 10.411 1.638 1.00 0.00 H new ATOM 88 N VAL A 9 -4.315 16.189 -1.144 1.00 0.00 N ATOM 89 CA VAL A 9 -4.767 16.455 -2.504 1.00 0.00 C ATOM 90 C VAL A 9 -5.291 15.186 -3.168 1.00 0.00 C ATOM 91 O VAL A 9 -4.747 14.100 -2.969 1.00 0.00 O ATOM 92 CB VAL A 9 -3.634 17.042 -3.367 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.402 16.152 -3.309 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.101 17.227 -4.803 1.00 0.00 C ATOM 0 H VAL A 9 -3.420 15.704 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.574 17.184 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.365 18.020 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.613 16.583 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.057 16.075 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.652 15.159 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.289 17.643 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.398 16.263 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.952 17.908 -4.824 1.00 0.00 H new ATOM 104 N TRP A 10 -6.349 15.332 -3.956 1.00 0.00 N ATOM 105 CA TRP A 10 -6.947 14.196 -4.650 1.00 0.00 C ATOM 106 C TRP A 10 -6.410 14.084 -6.073 1.00 0.00 C ATOM 107 O TRP A 10 -5.755 14.997 -6.574 1.00 0.00 O ATOM 108 CB TRP A 10 -8.470 14.333 -4.676 1.00 0.00 C ATOM 109 CG TRP A 10 -9.108 14.134 -3.334 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.828 15.052 -2.625 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.080 12.943 -2.540 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.250 14.504 -1.438 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.804 13.211 -1.362 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.515 11.676 -2.710 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.977 12.258 -0.362 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.687 10.732 -1.716 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.413 11.026 -0.555 1.00 0.00 C ATOM 0 H TRP A 10 -6.811 16.224 -4.131 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.680 13.289 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.732 15.322 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.881 13.606 -5.377 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -10.035 16.061 -2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.805 14.982 -0.728 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.954 11.439 -3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.536 12.483 0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.254 9.750 -1.836 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.530 10.266 0.203 1.00 0.00 H new ATOM 128 N LYS A 11 -6.691 12.957 -6.719 1.00 0.00 N ATOM 129 CA LYS A 11 -6.238 12.725 -8.085 1.00 0.00 C ATOM 130 C LYS A 11 -7.098 11.669 -8.772 1.00 0.00 C ATOM 131 O LYS A 11 -7.656 10.777 -8.133 1.00 0.00 O ATOM 132 CB LYS A 11 -4.772 12.286 -8.091 1.00 0.00 C ATOM 133 CG LYS A 11 -4.505 11.047 -7.254 1.00 0.00 C ATOM 134 CD LYS A 11 -3.037 10.934 -6.878 1.00 0.00 C ATOM 135 CE LYS A 11 -2.678 11.881 -5.743 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.231 11.808 -5.397 1.00 0.00 N ATOM 0 H LYS A 11 -7.231 12.190 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.333 13.661 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.463 12.094 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.155 13.104 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.112 11.080 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.809 10.159 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.814 9.909 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.419 11.156 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.932 12.902 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.274 11.637 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.026 12.468 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.993 10.840 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.662 12.065 -6.228 1.00 0.00 H new ATOM 150 N PRO A 12 -7.208 11.769 -10.105 1.00 0.00 N ATOM 151 CA PRO A 12 -7.997 10.830 -10.907 1.00 0.00 C ATOM 152 C PRO A 12 -7.364 9.443 -10.965 1.00 0.00 C ATOM 153 O PRO A 12 -6.368 9.234 -11.656 1.00 0.00 O ATOM 154 CB PRO A 12 -8.007 11.471 -12.297 1.00 0.00 C ATOM 155 CG PRO A 12 -6.777 12.310 -12.336 1.00 0.00 C ATOM 156 CD PRO A 12 -6.570 12.807 -10.932 1.00 0.00 C ATOM 0 HA PRO A 12 -8.991 10.672 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.995 10.715 -13.082 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.902 12.074 -12.449 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.919 11.729 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.894 13.141 -13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.511 12.915 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.031 13.783 -10.779 1.00 0.00 H new ATOM 164 N GLY A 13 -7.950 8.499 -10.235 1.00 0.00 N ATOM 165 CA GLY A 13 -7.429 7.145 -10.218 1.00 0.00 C ATOM 166 C GLY A 13 -7.124 6.658 -8.816 1.00 0.00 C ATOM 167 O GLY A 13 -6.202 5.868 -8.612 1.00 0.00 O ATOM 0 H GLY A 13 -8.776 8.648 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.152 6.475 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.521 7.101 -10.820 1.00 0.00 H new ATOM 171 N ASP A 14 -7.898 7.132 -7.846 1.00 0.00 N ATOM 172 CA ASP A 14 -7.706 6.741 -6.454 1.00 0.00 C ATOM 173 C ASP A 14 -9.046 6.491 -5.769 1.00 0.00 C ATOM 174 O ASP A 14 -9.915 7.362 -5.750 1.00 0.00 O ATOM 175 CB ASP A 14 -6.928 7.822 -5.701 1.00 0.00 C ATOM 176 CG ASP A 14 -5.427 7.628 -5.797 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.901 7.624 -6.930 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.779 7.479 -4.740 1.00 0.00 O ATOM 0 H ASP A 14 -8.664 7.788 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.133 5.814 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.191 8.801 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.226 7.816 -4.653 1.00 0.00 H new ATOM 183 N GLU A 15 -9.205 5.296 -5.210 1.00 0.00 N ATOM 184 CA GLU A 15 -10.441 4.932 -4.527 1.00 0.00 C ATOM 185 C GLU A 15 -10.638 5.777 -3.272 1.00 0.00 C ATOM 186 O GLU A 15 -9.709 5.966 -2.485 1.00 0.00 O ATOM 187 CB GLU A 15 -10.427 3.447 -4.157 1.00 0.00 C ATOM 188 CG GLU A 15 -10.544 2.521 -5.356 1.00 0.00 C ATOM 189 CD GLU A 15 -9.196 2.173 -5.958 1.00 0.00 C ATOM 190 OE1 GLU A 15 -8.567 1.204 -5.482 1.00 0.00 O ATOM 191 OE2 GLU A 15 -8.771 2.868 -6.904 1.00 0.00 O ATOM 0 H GLU A 15 -8.495 4.564 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.271 5.122 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.503 3.223 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.249 3.244 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.051 1.604 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.166 2.994 -6.116 1.00 0.00 H new ATOM 198 N CYS A 16 -11.852 6.284 -3.092 1.00 0.00 N ATOM 199 CA CYS A 16 -12.172 7.111 -1.933 1.00 0.00 C ATOM 200 C CYS A 16 -13.646 6.982 -1.563 1.00 0.00 C ATOM 201 O CYS A 16 -14.445 6.446 -2.331 1.00 0.00 O ATOM 202 CB CYS A 16 -11.831 8.575 -2.216 1.00 0.00 C ATOM 203 SG CYS A 16 -12.714 9.279 -3.628 1.00 0.00 S ATOM 0 H CYS A 16 -12.631 6.137 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.573 6.762 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.055 9.167 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.759 8.660 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.790 8.586 -3.856 1.00 0.00 H new ATOM 209 N PHE A 17 -13.999 7.474 -0.380 1.00 0.00 N ATOM 210 CA PHE A 17 -15.376 7.411 0.094 1.00 0.00 C ATOM 211 C PHE A 17 -16.068 8.762 -0.065 1.00 0.00 C ATOM 212 O PHE A 17 -15.652 9.758 0.526 1.00 0.00 O ATOM 213 CB PHE A 17 -15.414 6.976 1.560 1.00 0.00 C ATOM 214 CG PHE A 17 -15.510 5.488 1.741 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.736 4.846 1.671 1.00 0.00 C ATOM 216 CD2 PHE A 17 -14.375 4.731 1.983 1.00 0.00 C ATOM 217 CE1 PHE A 17 -16.828 3.477 1.837 1.00 0.00 C ATOM 218 CE2 PHE A 17 -14.460 3.362 2.149 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.689 2.734 2.077 1.00 0.00 C ATOM 0 H PHE A 17 -13.350 7.921 0.268 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.908 6.676 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.516 7.338 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.265 7.449 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.630 5.422 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.412 5.217 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.790 2.989 1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.567 2.783 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.758 1.664 2.208 1.00 0.00 H new ATOM 229 N ALA A 18 -17.127 8.787 -0.869 1.00 0.00 N ATOM 230 CA ALA A 18 -17.877 10.014 -1.105 1.00 0.00 C ATOM 231 C ALA A 18 -19.272 9.930 -0.493 1.00 0.00 C ATOM 232 O ALA A 18 -19.913 8.879 -0.524 1.00 0.00 O ATOM 233 CB ALA A 18 -17.970 10.296 -2.597 1.00 0.00 C ATOM 0 H ALA A 18 -17.484 7.972 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.346 10.835 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.533 11.215 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.967 10.407 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.477 9.468 -3.093 1.00 0.00 H new ATOM 239 N LEU A 19 -19.736 11.044 0.063 1.00 0.00 N ATOM 240 CA LEU A 19 -21.055 11.097 0.683 1.00 0.00 C ATOM 241 C LEU A 19 -22.144 11.288 -0.367 1.00 0.00 C ATOM 242 O LEU A 19 -22.039 12.155 -1.235 1.00 0.00 O ATOM 243 CB LEU A 19 -21.114 12.232 1.707 1.00 0.00 C ATOM 244 CG LEU A 19 -22.041 12.011 2.903 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.471 10.949 3.830 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.263 13.315 3.654 1.00 0.00 C ATOM 0 H LEU A 19 -19.218 11.922 0.097 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.228 10.148 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.106 12.408 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.427 13.141 1.194 1.00 0.00 H new ATOM 0 HG LEU A 19 -23.004 11.661 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.144 10.805 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.365 10.010 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.495 11.270 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.925 13.138 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.307 13.695 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.717 14.047 2.986 1.00 0.00 H new ATOM 258 N TYR A 20 -23.190 10.473 -0.283 1.00 0.00 N ATOM 259 CA TYR A 20 -24.299 10.552 -1.226 1.00 0.00 C ATOM 260 C TYR A 20 -25.108 11.827 -1.011 1.00 0.00 C ATOM 261 O TYR A 20 -25.116 12.393 0.082 1.00 0.00 O ATOM 262 CB TYR A 20 -25.206 9.329 -1.083 1.00 0.00 C ATOM 263 CG TYR A 20 -25.911 8.944 -2.364 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.221 8.884 -3.568 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.267 8.640 -2.369 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.861 8.533 -4.741 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.915 8.287 -3.537 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.208 8.236 -4.721 1.00 0.00 C ATOM 269 OH TYR A 20 -27.849 7.885 -5.887 1.00 0.00 O ATOM 0 H TYR A 20 -23.293 9.750 0.429 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.884 10.573 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.610 8.484 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.952 9.528 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.166 9.116 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.824 8.680 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.310 8.491 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.969 8.052 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.794 7.706 -5.700 1.00 0.00 H new ATOM 279 N TRP A 21 -25.786 12.273 -2.062 1.00 0.00 N ATOM 280 CA TRP A 21 -26.600 13.482 -1.989 1.00 0.00 C ATOM 281 C TRP A 21 -28.051 13.143 -1.669 1.00 0.00 C ATOM 282 O TRP A 21 -28.877 14.034 -1.471 1.00 0.00 O ATOM 283 CB TRP A 21 -26.522 14.254 -3.307 1.00 0.00 C ATOM 284 CG TRP A 21 -27.139 13.523 -4.461 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.513 12.655 -5.310 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.502 13.598 -4.893 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.405 12.186 -6.244 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.632 12.749 -6.009 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.625 14.298 -4.445 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.840 12.584 -6.681 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.823 14.134 -5.113 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.924 13.282 -6.221 1.00 0.00 C ATOM 0 H TRP A 21 -25.789 11.817 -2.974 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.207 14.107 -1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.021 15.216 -3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.477 14.464 -3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.471 12.378 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.189 11.526 -6.991 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.558 14.956 -3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.919 11.928 -7.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.697 14.672 -4.776 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.875 13.174 -6.721 1.00 0.00 H new ATOM 303 N GLU A 22 -28.356 11.849 -1.621 1.00 0.00 N ATOM 304 CA GLU A 22 -29.709 11.394 -1.326 1.00 0.00 C ATOM 305 C GLU A 22 -29.749 10.622 -0.010 1.00 0.00 C ATOM 306 O GLU A 22 -30.817 10.400 0.560 1.00 0.00 O ATOM 307 CB GLU A 22 -30.235 10.515 -2.462 1.00 0.00 C ATOM 308 CG GLU A 22 -30.963 11.291 -3.546 1.00 0.00 C ATOM 309 CD GLU A 22 -32.379 11.659 -3.148 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.541 12.548 -2.286 1.00 0.00 O ATOM 311 OE2 GLU A 22 -33.326 11.058 -3.698 1.00 0.00 O ATOM 0 H GLU A 22 -27.684 11.099 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.347 12.273 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.400 9.978 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.910 9.766 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.406 12.200 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.989 10.696 -4.459 1.00 0.00 H new ATOM 318 N ASP A 23 -28.577 10.215 0.466 1.00 0.00 N ATOM 319 CA ASP A 23 -28.476 9.468 1.714 1.00 0.00 C ATOM 320 C ASP A 23 -27.511 10.150 2.679 1.00 0.00 C ATOM 321 O ASP A 23 -27.628 10.006 3.895 1.00 0.00 O ATOM 322 CB ASP A 23 -28.017 8.036 1.440 1.00 0.00 C ATOM 323 CG ASP A 23 -29.026 7.249 0.627 1.00 0.00 C ATOM 324 OD1 ASP A 23 -30.239 7.391 0.888 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.603 6.493 -0.272 1.00 0.00 O ATOM 0 H ASP A 23 -27.684 10.390 0.006 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.464 9.442 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.065 8.058 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.842 7.526 2.387 1.00 0.00 H new ATOM 330 N ASN A 24 -26.556 10.892 2.127 1.00 0.00 N ATOM 331 CA ASN A 24 -25.569 11.595 2.938 1.00 0.00 C ATOM 332 C ASN A 24 -24.726 10.610 3.743 1.00 0.00 C ATOM 333 O ASN A 24 -24.282 10.916 4.850 1.00 0.00 O ATOM 334 CB ASN A 24 -26.262 12.580 3.882 1.00 0.00 C ATOM 335 CG ASN A 24 -26.818 13.787 3.150 1.00 0.00 C ATOM 336 OD1 ASN A 24 -26.084 14.511 2.478 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.121 14.008 3.279 1.00 0.00 N ATOM 0 H ASN A 24 -26.445 11.022 1.121 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.911 12.147 2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.072 12.070 4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.553 12.913 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.552 14.805 2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.691 13.381 3.847 1.00 0.00 H new ATOM 344 N LYS A 25 -24.510 9.426 3.180 1.00 0.00 N ATOM 345 CA LYS A 25 -23.719 8.396 3.842 1.00 0.00 C ATOM 346 C LYS A 25 -22.482 8.047 3.021 1.00 0.00 C ATOM 347 O LYS A 25 -22.547 7.941 1.796 1.00 0.00 O ATOM 348 CB LYS A 25 -24.565 7.141 4.067 1.00 0.00 C ATOM 349 CG LYS A 25 -25.566 7.277 5.202 1.00 0.00 C ATOM 350 CD LYS A 25 -26.199 5.940 5.550 1.00 0.00 C ATOM 351 CE LYS A 25 -25.371 5.180 6.574 1.00 0.00 C ATOM 352 NZ LYS A 25 -25.972 3.859 6.904 1.00 0.00 N ATOM 0 H LYS A 25 -24.872 9.156 2.266 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.394 8.787 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -25.101 6.905 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.904 6.300 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.067 7.684 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.344 7.986 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -27.203 6.103 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -26.303 5.339 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.362 5.034 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -25.282 5.775 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.378 3.373 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -26.925 3.999 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -26.034 3.281 6.042 1.00 0.00 H new ATOM 366 N PHE A 26 -21.355 7.869 3.703 1.00 0.00 N ATOM 367 CA PHE A 26 -20.103 7.532 3.037 1.00 0.00 C ATOM 368 C PHE A 26 -20.224 6.207 2.289 1.00 0.00 C ATOM 369 O PHE A 26 -20.672 5.206 2.848 1.00 0.00 O ATOM 370 CB PHE A 26 -18.964 7.453 4.055 1.00 0.00 C ATOM 371 CG PHE A 26 -18.544 8.793 4.590 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.786 9.656 3.815 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.907 9.189 5.866 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.398 10.888 4.304 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.522 10.421 6.362 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.767 11.272 5.579 1.00 0.00 C ATOM 0 H PHE A 26 -21.284 7.953 4.717 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.882 8.318 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.274 6.820 4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.104 6.971 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.495 9.362 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.498 8.527 6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.806 11.551 3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.811 10.717 7.360 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.466 12.236 5.962 1.00 0.00 H new ATOM 386 N TYR A 27 -19.824 6.211 1.023 1.00 0.00 N ATOM 387 CA TYR A 27 -19.890 5.011 0.197 1.00 0.00 C ATOM 388 C TYR A 27 -18.650 4.887 -0.684 1.00 0.00 C ATOM 389 O TYR A 27 -18.062 5.889 -1.091 1.00 0.00 O ATOM 390 CB TYR A 27 -21.147 5.035 -0.674 1.00 0.00 C ATOM 391 CG TYR A 27 -22.434 5.007 0.120 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.645 4.050 1.104 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.438 5.938 -0.115 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.819 4.020 1.831 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.615 5.916 0.608 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.801 4.955 1.580 1.00 0.00 C ATOM 397 OH TYR A 27 -25.972 4.929 2.303 1.00 0.00 O ATOM 0 H TYR A 27 -19.451 7.032 0.546 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.931 4.146 0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.132 5.931 -1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.128 4.179 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.878 3.317 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.296 6.692 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.967 3.268 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.385 6.647 0.413 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.517 5.710 2.072 1.00 0.00 H new ATOM 407 N ARG A 28 -18.260 3.650 -0.973 1.00 0.00 N ATOM 408 CA ARG A 28 -17.090 3.393 -1.805 1.00 0.00 C ATOM 409 C ARG A 28 -17.164 4.186 -3.107 1.00 0.00 C ATOM 410 O ARG A 28 -18.244 4.388 -3.662 1.00 0.00 O ATOM 411 CB ARG A 28 -16.974 1.899 -2.111 1.00 0.00 C ATOM 412 CG ARG A 28 -16.208 1.118 -1.055 1.00 0.00 C ATOM 413 CD ARG A 28 -15.492 -0.080 -1.659 1.00 0.00 C ATOM 414 NE ARG A 28 -15.266 -1.135 -0.674 1.00 0.00 N ATOM 415 CZ ARG A 28 -14.309 -1.087 0.247 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.495 -0.043 0.308 1.00 0.00 N ATOM 417 NH2 ARG A 28 -14.166 -2.086 1.108 1.00 0.00 N ATOM 0 H ARG A 28 -18.736 2.810 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.206 3.714 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.975 1.478 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.480 1.771 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.482 1.772 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.896 0.780 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.082 -0.476 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.536 0.240 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.876 -1.953 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.602 0.726 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.761 -0.009 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.791 -2.891 1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.431 -2.049 1.815 1.00 0.00 H new ATOM 431 N ALA A 29 -16.008 4.632 -3.588 1.00 0.00 N ATOM 432 CA ALA A 29 -15.942 5.401 -4.824 1.00 0.00 C ATOM 433 C ALA A 29 -14.502 5.543 -5.306 1.00 0.00 C ATOM 434 O ALA A 29 -13.582 4.979 -4.714 1.00 0.00 O ATOM 435 CB ALA A 29 -16.572 6.772 -4.628 1.00 0.00 C ATOM 0 H ALA A 29 -15.105 4.474 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.502 4.862 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.515 7.335 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.616 6.655 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.036 7.310 -3.846 1.00 0.00 H new ATOM 441 N GLU A 30 -14.314 6.298 -6.383 1.00 0.00 N ATOM 442 CA GLU A 30 -12.985 6.511 -6.944 1.00 0.00 C ATOM 443 C GLU A 30 -12.929 7.819 -7.729 1.00 0.00 C ATOM 444 O GLU A 30 -13.675 8.012 -8.689 1.00 0.00 O ATOM 445 CB GLU A 30 -12.597 5.342 -7.852 1.00 0.00 C ATOM 446 CG GLU A 30 -11.191 5.452 -8.417 1.00 0.00 C ATOM 447 CD GLU A 30 -11.052 4.780 -9.769 1.00 0.00 C ATOM 448 OE1 GLU A 30 -10.989 3.533 -9.808 1.00 0.00 O ATOM 449 OE2 GLU A 30 -11.005 5.500 -10.788 1.00 0.00 O ATOM 0 H GLU A 30 -15.065 6.772 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.276 6.572 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.682 4.412 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.307 5.282 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.922 6.504 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.486 5.002 -7.718 1.00 0.00 H new ATOM 456 N VAL A 31 -12.040 8.715 -7.313 1.00 0.00 N ATOM 457 CA VAL A 31 -11.885 10.004 -7.975 1.00 0.00 C ATOM 458 C VAL A 31 -11.881 9.845 -9.492 1.00 0.00 C ATOM 459 O VAL A 31 -11.029 9.156 -10.051 1.00 0.00 O ATOM 460 CB VAL A 31 -10.585 10.707 -7.540 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.472 12.075 -8.196 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.527 10.826 -6.025 1.00 0.00 C ATOM 0 H VAL A 31 -11.415 8.571 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.736 10.617 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.738 10.104 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.548 12.556 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.465 11.959 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.322 12.691 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.602 11.325 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.379 11.407 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.558 9.831 -5.580 1.00 0.00 H new ATOM 472 N GLU A 32 -12.839 10.489 -10.151 1.00 0.00 N ATOM 473 CA GLU A 32 -12.945 10.418 -11.604 1.00 0.00 C ATOM 474 C GLU A 32 -12.232 11.598 -12.260 1.00 0.00 C ATOM 475 O GLU A 32 -11.350 11.415 -13.098 1.00 0.00 O ATOM 476 CB GLU A 32 -14.415 10.396 -12.030 1.00 0.00 C ATOM 477 CG GLU A 32 -14.662 9.641 -13.325 1.00 0.00 C ATOM 478 CD GLU A 32 -13.958 10.271 -14.511 1.00 0.00 C ATOM 479 OE1 GLU A 32 -13.826 11.512 -14.533 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.538 9.521 -15.417 1.00 0.00 O ATOM 0 H GLU A 32 -13.552 11.065 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.465 9.497 -11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.008 9.942 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.767 11.421 -12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.323 8.611 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.734 9.604 -13.521 1.00 0.00 H new ATOM 487 N ALA A 33 -12.622 12.807 -11.871 1.00 0.00 N ATOM 488 CA ALA A 33 -12.020 14.016 -12.419 1.00 0.00 C ATOM 489 C ALA A 33 -12.264 15.213 -11.506 1.00 0.00 C ATOM 490 O ALA A 33 -13.407 15.536 -11.180 1.00 0.00 O ATOM 491 CB ALA A 33 -12.566 14.293 -13.812 1.00 0.00 C ATOM 0 H ALA A 33 -13.352 12.975 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.944 13.857 -12.487 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.108 15.199 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.336 13.453 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.647 14.426 -13.759 1.00 0.00 H new ATOM 497 N LEU A 34 -11.183 15.868 -11.096 1.00 0.00 N ATOM 498 CA LEU A 34 -11.279 17.030 -10.219 1.00 0.00 C ATOM 499 C LEU A 34 -11.746 18.259 -10.993 1.00 0.00 C ATOM 500 O LEU A 34 -11.635 18.313 -12.218 1.00 0.00 O ATOM 501 CB LEU A 34 -9.927 17.310 -9.562 1.00 0.00 C ATOM 502 CG LEU A 34 -9.242 16.115 -8.898 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.749 16.365 -8.758 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.866 15.829 -7.540 1.00 0.00 C ATOM 0 H LEU A 34 -10.230 15.614 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.014 16.811 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.255 17.714 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.065 18.088 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.385 15.241 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.279 15.504 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.312 16.519 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.584 17.252 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.366 14.975 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.755 16.702 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.925 15.604 -7.666 1.00 0.00 H new ATOM 516 N HIS A 35 -12.267 19.244 -10.269 1.00 0.00 N ATOM 517 CA HIS A 35 -12.749 20.475 -10.887 1.00 0.00 C ATOM 518 C HIS A 35 -11.648 21.531 -10.924 1.00 0.00 C ATOM 519 O HIS A 35 -10.700 21.481 -10.141 1.00 0.00 O ATOM 520 CB HIS A 35 -13.962 21.012 -10.127 1.00 0.00 C ATOM 521 CG HIS A 35 -14.713 22.073 -10.871 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.982 23.317 -10.339 1.00 0.00 N ATOM 523 CD2 HIS A 35 -15.251 22.072 -12.113 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.654 24.034 -11.221 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.830 23.302 -12.307 1.00 0.00 N ATOM 0 H HIS A 35 -12.366 19.214 -9.254 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.044 20.247 -11.911 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.638 20.186 -9.908 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.631 21.416 -9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.229 21.256 -12.820 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.001 25.047 -11.079 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.317 23.602 -13.152 1.00 0.00 H new ATOM 534 N SER A 36 -11.781 22.486 -11.839 1.00 0.00 N ATOM 535 CA SER A 36 -10.796 23.552 -11.980 1.00 0.00 C ATOM 536 C SER A 36 -10.687 24.365 -10.694 1.00 0.00 C ATOM 537 O SER A 36 -9.654 24.352 -10.025 1.00 0.00 O ATOM 538 CB SER A 36 -11.169 24.469 -13.147 1.00 0.00 C ATOM 539 OG SER A 36 -10.768 23.908 -14.385 1.00 0.00 O ATOM 0 H SER A 36 -12.561 22.543 -12.494 1.00 0.00 H new ATOM 0 HA SER A 36 -9.828 23.094 -12.182 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.246 24.637 -13.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.696 25.442 -13.015 1.00 0.00 H new ATOM 0 HG SER A 36 -11.019 24.512 -15.115 1.00 0.00 H new ATOM 545 N SER A 37 -11.760 25.071 -10.355 1.00 0.00 N ATOM 546 CA SER A 37 -11.785 25.894 -9.151 1.00 0.00 C ATOM 547 C SER A 37 -11.098 25.180 -7.991 1.00 0.00 C ATOM 548 O SER A 37 -10.171 25.712 -7.382 1.00 0.00 O ATOM 549 CB SER A 37 -13.227 26.237 -8.772 1.00 0.00 C ATOM 550 OG SER A 37 -13.850 27.009 -9.783 1.00 0.00 O ATOM 0 H SER A 37 -12.624 25.090 -10.897 1.00 0.00 H new ATOM 0 HA SER A 37 -11.243 26.816 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.792 25.319 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.238 26.787 -7.831 1.00 0.00 H new ATOM 0 HG SER A 37 -14.771 27.214 -9.518 1.00 0.00 H new ATOM 556 N GLY A 38 -11.561 23.970 -7.691 1.00 0.00 N ATOM 557 CA GLY A 38 -10.981 23.202 -6.605 1.00 0.00 C ATOM 558 C GLY A 38 -11.909 23.091 -5.413 1.00 0.00 C ATOM 559 O GLY A 38 -11.468 23.153 -4.266 1.00 0.00 O ATOM 0 H GLY A 38 -12.327 23.508 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.733 22.203 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.047 23.669 -6.292 1.00 0.00 H new ATOM 563 N MET A 39 -13.200 22.929 -5.683 1.00 0.00 N ATOM 564 CA MET A 39 -14.194 22.809 -4.622 1.00 0.00 C ATOM 565 C MET A 39 -14.868 21.442 -4.660 1.00 0.00 C ATOM 566 O MET A 39 -15.157 20.851 -3.619 1.00 0.00 O ATOM 567 CB MET A 39 -15.245 23.913 -4.753 1.00 0.00 C ATOM 568 CG MET A 39 -15.820 24.043 -6.154 1.00 0.00 C ATOM 569 SD MET A 39 -17.199 25.201 -6.235 1.00 0.00 S ATOM 570 CE MET A 39 -16.342 26.723 -6.630 1.00 0.00 C ATOM 0 H MET A 39 -13.583 22.878 -6.627 1.00 0.00 H new ATOM 0 HA MET A 39 -13.683 22.915 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.057 23.715 -4.053 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.799 24.864 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.035 24.371 -6.836 1.00 0.00 H new ATOM 0 HG3 MET A 39 -16.152 23.064 -6.498 1.00 0.00 H new ATOM 0 HE1 MET A 39 -17.064 27.536 -6.713 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.626 26.953 -5.841 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.814 26.608 -7.577 1.00 0.00 H new ATOM 580 N THR A 40 -15.119 20.943 -5.867 1.00 0.00 N ATOM 581 CA THR A 40 -15.760 19.646 -6.040 1.00 0.00 C ATOM 582 C THR A 40 -15.054 18.822 -7.111 1.00 0.00 C ATOM 583 O THR A 40 -14.236 19.342 -7.869 1.00 0.00 O ATOM 584 CB THR A 40 -17.244 19.800 -6.423 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.356 20.320 -7.753 1.00 0.00 O ATOM 586 CG2 THR A 40 -17.961 20.725 -5.450 1.00 0.00 C ATOM 0 H THR A 40 -14.888 21.418 -6.739 1.00 0.00 H new ATOM 0 HA THR A 40 -15.691 19.129 -5.083 1.00 0.00 H new ATOM 0 HB THR A 40 -17.712 18.817 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.303 20.413 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.007 20.818 -5.741 1.00 0.00 H new ATOM 0 HG22 THR A 40 -17.900 20.312 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.490 21.708 -5.468 1.00 0.00 H new ATOM 594 N ALA A 41 -15.377 17.534 -7.168 1.00 0.00 N ATOM 595 CA ALA A 41 -14.775 16.639 -8.148 1.00 0.00 C ATOM 596 C ALA A 41 -15.702 15.470 -8.466 1.00 0.00 C ATOM 597 O ALA A 41 -16.399 14.961 -7.588 1.00 0.00 O ATOM 598 CB ALA A 41 -13.433 16.129 -7.644 1.00 0.00 C ATOM 0 H ALA A 41 -16.052 17.087 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.615 17.202 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.995 15.462 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.764 16.972 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.577 15.587 -6.709 1.00 0.00 H new ATOM 604 N VAL A 42 -15.705 15.049 -9.726 1.00 0.00 N ATOM 605 CA VAL A 42 -16.546 13.939 -10.160 1.00 0.00 C ATOM 606 C VAL A 42 -15.983 12.605 -9.685 1.00 0.00 C ATOM 607 O VAL A 42 -14.903 12.189 -10.107 1.00 0.00 O ATOM 608 CB VAL A 42 -16.688 13.908 -11.693 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.569 12.746 -12.124 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.246 15.228 -12.203 1.00 0.00 C ATOM 0 H VAL A 42 -15.134 15.460 -10.465 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.529 14.094 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.699 13.765 -12.129 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.658 12.740 -13.210 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.123 11.809 -11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.558 12.855 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.340 15.188 -13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.226 15.404 -11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.572 16.039 -11.926 1.00 0.00 H new ATOM 620 N VAL A 43 -16.721 11.936 -8.806 1.00 0.00 N ATOM 621 CA VAL A 43 -16.296 10.646 -8.274 1.00 0.00 C ATOM 622 C VAL A 43 -17.297 9.551 -8.624 1.00 0.00 C ATOM 623 O VAL A 43 -18.505 9.786 -8.659 1.00 0.00 O ATOM 624 CB VAL A 43 -16.124 10.699 -6.745 1.00 0.00 C ATOM 625 CG1 VAL A 43 -14.917 11.546 -6.372 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.386 11.234 -6.085 1.00 0.00 C ATOM 0 H VAL A 43 -17.617 12.266 -8.447 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.334 10.416 -8.733 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.953 9.686 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.812 11.572 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.019 11.114 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.054 12.560 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.247 11.265 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.591 12.239 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.226 10.582 -6.324 1.00 0.00 H new ATOM 636 N LYS A 44 -16.787 8.352 -8.883 1.00 0.00 N ATOM 637 CA LYS A 44 -17.635 7.217 -9.230 1.00 0.00 C ATOM 638 C LYS A 44 -17.701 6.217 -8.080 1.00 0.00 C ATOM 639 O LYS A 44 -16.672 5.755 -7.586 1.00 0.00 O ATOM 640 CB LYS A 44 -17.109 6.527 -10.491 1.00 0.00 C ATOM 641 CG LYS A 44 -18.097 5.552 -11.107 1.00 0.00 C ATOM 642 CD LYS A 44 -17.501 4.841 -12.310 1.00 0.00 C ATOM 643 CE LYS A 44 -18.094 3.451 -12.487 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.169 2.542 -13.217 1.00 0.00 N ATOM 0 H LYS A 44 -15.789 8.141 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.641 7.591 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.851 7.286 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.190 5.995 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.398 4.817 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.998 6.087 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.681 5.431 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.420 4.764 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.323 3.027 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.035 3.525 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.610 1.605 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.970 2.933 -14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.280 2.451 -12.685 1.00 0.00 H new ATOM 658 N PHE A 45 -18.917 5.884 -7.661 1.00 0.00 N ATOM 659 CA PHE A 45 -19.117 4.938 -6.570 1.00 0.00 C ATOM 660 C PHE A 45 -18.750 3.522 -7.004 1.00 0.00 C ATOM 661 O PHE A 45 -18.839 3.178 -8.183 1.00 0.00 O ATOM 662 CB PHE A 45 -20.571 4.976 -6.093 1.00 0.00 C ATOM 663 CG PHE A 45 -20.943 6.259 -5.407 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.544 6.504 -4.103 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.692 7.221 -6.066 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.884 7.684 -3.469 1.00 0.00 C ATOM 667 CE2 PHE A 45 -22.035 8.403 -5.437 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.632 8.634 -4.137 1.00 0.00 C ATOM 0 H PHE A 45 -19.779 6.255 -8.061 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.464 5.228 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.230 4.826 -6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -20.743 4.145 -5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -19.960 5.764 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.011 7.045 -7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.565 7.863 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.618 9.145 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.901 9.556 -3.643 1.00 0.00 H new ATOM 678 N THR A 46 -18.336 2.703 -6.042 1.00 0.00 N ATOM 679 CA THR A 46 -17.953 1.325 -6.323 1.00 0.00 C ATOM 680 C THR A 46 -19.096 0.364 -6.019 1.00 0.00 C ATOM 681 O THR A 46 -19.069 -0.797 -6.428 1.00 0.00 O ATOM 682 CB THR A 46 -16.715 0.908 -5.507 1.00 0.00 C ATOM 683 OG1 THR A 46 -15.910 2.056 -5.218 1.00 0.00 O ATOM 684 CG2 THR A 46 -15.888 -0.120 -6.265 1.00 0.00 C ATOM 0 H THR A 46 -18.257 2.971 -5.061 1.00 0.00 H new ATOM 0 HA THR A 46 -17.712 1.274 -7.385 1.00 0.00 H new ATOM 0 HB THR A 46 -17.056 0.460 -4.574 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.053 1.768 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.019 -0.399 -5.669 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.495 -1.005 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.557 0.306 -7.212 1.00 0.00 H new ATOM 692 N ASP A 47 -20.099 0.854 -5.300 1.00 0.00 N ATOM 693 CA ASP A 47 -21.254 0.038 -4.942 1.00 0.00 C ATOM 694 C ASP A 47 -22.078 -0.309 -6.177 1.00 0.00 C ATOM 695 O ASP A 47 -22.481 -1.457 -6.365 1.00 0.00 O ATOM 696 CB ASP A 47 -22.126 0.770 -3.921 1.00 0.00 C ATOM 697 CG ASP A 47 -23.067 -0.165 -3.187 1.00 0.00 C ATOM 698 OD1 ASP A 47 -22.761 -1.372 -3.108 1.00 0.00 O ATOM 699 OD2 ASP A 47 -24.110 0.312 -2.692 1.00 0.00 O ATOM 0 H ASP A 47 -20.136 1.812 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.889 -0.889 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -21.486 1.278 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.707 1.540 -4.429 1.00 0.00 H new ATOM 704 N TYR A 48 -22.327 0.691 -7.016 1.00 0.00 N ATOM 705 CA TYR A 48 -23.107 0.492 -8.232 1.00 0.00 C ATOM 706 C TYR A 48 -22.319 0.933 -9.462 1.00 0.00 C ATOM 707 O TYR A 48 -22.247 0.214 -10.458 1.00 0.00 O ATOM 708 CB TYR A 48 -24.423 1.267 -8.151 1.00 0.00 C ATOM 709 CG TYR A 48 -25.152 1.086 -6.838 1.00 0.00 C ATOM 710 CD1 TYR A 48 -24.810 1.839 -5.722 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.184 0.164 -6.716 1.00 0.00 C ATOM 712 CE1 TYR A 48 -25.472 1.677 -4.521 1.00 0.00 C ATOM 713 CE2 TYR A 48 -26.853 -0.004 -5.519 1.00 0.00 C ATOM 714 CZ TYR A 48 -26.493 0.754 -4.424 1.00 0.00 C ATOM 715 OH TYR A 48 -27.157 0.591 -3.230 1.00 0.00 O ATOM 0 H TYR A 48 -22.000 1.647 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.325 -0.572 -8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.220 2.327 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.074 0.948 -8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.013 2.564 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.468 -0.431 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.192 2.269 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -27.653 -0.725 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 48 -27.848 -0.097 -3.331 1.00 0.00 H new ATOM 725 N GLY A 49 -21.729 2.122 -9.384 1.00 0.00 N ATOM 726 CA GLY A 49 -20.954 2.640 -10.496 1.00 0.00 C ATOM 727 C GLY A 49 -21.578 3.877 -11.112 1.00 0.00 C ATOM 728 O GLY A 49 -21.565 4.045 -12.331 1.00 0.00 O ATOM 0 H GLY A 49 -21.774 2.736 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.947 2.877 -10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.858 1.867 -11.259 1.00 0.00 H new ATOM 732 N ASN A 50 -22.127 4.744 -10.268 1.00 0.00 N ATOM 733 CA ASN A 50 -22.762 5.970 -10.737 1.00 0.00 C ATOM 734 C ASN A 50 -21.917 7.190 -10.380 1.00 0.00 C ATOM 735 O ASN A 50 -21.287 7.234 -9.323 1.00 0.00 O ATOM 736 CB ASN A 50 -24.160 6.110 -10.131 1.00 0.00 C ATOM 737 CG ASN A 50 -24.189 5.762 -8.656 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.266 4.591 -8.284 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.126 6.781 -7.806 1.00 0.00 N ATOM 0 H ASN A 50 -22.145 4.620 -9.256 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.848 5.913 -11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.511 7.133 -10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.852 5.462 -10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.141 6.608 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -24.063 7.736 -8.159 1.00 0.00 H new ATOM 746 N TYR A 51 -21.910 8.178 -11.268 1.00 0.00 N ATOM 747 CA TYR A 51 -21.142 9.398 -11.049 1.00 0.00 C ATOM 748 C TYR A 51 -21.958 10.421 -10.265 1.00 0.00 C ATOM 749 O TYR A 51 -23.174 10.516 -10.426 1.00 0.00 O ATOM 750 CB TYR A 51 -20.702 9.995 -12.386 1.00 0.00 C ATOM 751 CG TYR A 51 -19.808 9.081 -13.193 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.515 8.793 -12.774 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.257 8.504 -14.375 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.695 7.959 -13.508 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.445 7.668 -15.115 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.164 7.399 -14.678 1.00 0.00 C ATOM 757 OH TYR A 51 -17.351 6.566 -15.412 1.00 0.00 O ATOM 0 H TYR A 51 -22.428 8.158 -12.147 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.258 9.142 -10.465 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.587 10.237 -12.975 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -20.177 10.932 -12.201 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.145 9.229 -11.858 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.259 8.713 -14.721 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.692 7.746 -13.168 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.810 7.227 -16.031 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.833 6.255 -16.207 1.00 0.00 H new ATOM 767 N GLU A 52 -21.278 11.186 -9.417 1.00 0.00 N ATOM 768 CA GLU A 52 -21.939 12.203 -8.608 1.00 0.00 C ATOM 769 C GLU A 52 -20.948 13.276 -8.165 1.00 0.00 C ATOM 770 O GLU A 52 -19.818 12.971 -7.785 1.00 0.00 O ATOM 771 CB GLU A 52 -22.597 11.564 -7.383 1.00 0.00 C ATOM 772 CG GLU A 52 -23.999 11.043 -7.648 1.00 0.00 C ATOM 773 CD GLU A 52 -24.870 12.052 -8.370 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.663 13.267 -8.167 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.759 11.628 -9.138 1.00 0.00 O ATOM 0 H GLU A 52 -20.270 11.121 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.708 12.674 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.973 10.742 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.637 12.298 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.937 10.131 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.468 10.776 -6.701 1.00 0.00 H new ATOM 782 N GLU A 53 -21.380 14.531 -8.218 1.00 0.00 N ATOM 783 CA GLU A 53 -20.530 15.649 -7.824 1.00 0.00 C ATOM 784 C GLU A 53 -20.534 15.827 -6.308 1.00 0.00 C ATOM 785 O GLU A 53 -21.557 16.167 -5.714 1.00 0.00 O ATOM 786 CB GLU A 53 -20.999 16.939 -8.501 1.00 0.00 C ATOM 787 CG GLU A 53 -20.136 18.146 -8.173 1.00 0.00 C ATOM 788 CD GLU A 53 -20.685 19.432 -8.760 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.573 20.041 -8.128 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.226 19.829 -9.851 1.00 0.00 O ATOM 0 H GLU A 53 -22.313 14.800 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.512 15.429 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.007 16.791 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.026 17.145 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.058 18.249 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.127 17.980 -8.551 1.00 0.00 H new ATOM 797 N VAL A 54 -19.381 15.593 -5.688 1.00 0.00 N ATOM 798 CA VAL A 54 -19.250 15.728 -4.242 1.00 0.00 C ATOM 799 C VAL A 54 -18.073 16.625 -3.878 1.00 0.00 C ATOM 800 O VAL A 54 -17.062 16.657 -4.581 1.00 0.00 O ATOM 801 CB VAL A 54 -19.065 14.357 -3.565 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.638 14.374 -2.157 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.710 13.260 -4.399 1.00 0.00 C ATOM 0 H VAL A 54 -18.525 15.309 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.173 16.181 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.998 14.148 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.498 13.397 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.125 15.132 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.702 14.606 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.570 12.298 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.776 13.462 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.247 13.233 -5.385 1.00 0.00 H new ATOM 813 N LEU A 55 -18.210 17.353 -2.776 1.00 0.00 N ATOM 814 CA LEU A 55 -17.156 18.252 -2.317 1.00 0.00 C ATOM 815 C LEU A 55 -15.938 17.466 -1.843 1.00 0.00 C ATOM 816 O LEU A 55 -16.069 16.430 -1.190 1.00 0.00 O ATOM 817 CB LEU A 55 -17.675 19.142 -1.186 1.00 0.00 C ATOM 818 CG LEU A 55 -18.656 20.241 -1.593 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.597 20.569 -0.444 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.906 21.487 -2.042 1.00 0.00 C ATOM 0 H LEU A 55 -19.040 17.339 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.856 18.879 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.159 18.507 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.820 19.609 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.251 19.878 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.288 21.353 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.160 19.677 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.018 20.912 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.621 22.259 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.285 21.853 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.274 21.243 -2.896 1.00 0.00 H new ATOM 832 N LEU A 56 -14.752 17.967 -2.174 1.00 0.00 N ATOM 833 CA LEU A 56 -13.509 17.313 -1.781 1.00 0.00 C ATOM 834 C LEU A 56 -13.400 17.218 -0.262 1.00 0.00 C ATOM 835 O LEU A 56 -12.675 16.376 0.266 1.00 0.00 O ATOM 836 CB LEU A 56 -12.309 18.076 -2.343 1.00 0.00 C ATOM 837 CG LEU A 56 -12.312 18.316 -3.853 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.263 19.348 -4.233 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.075 17.011 -4.600 1.00 0.00 C ATOM 0 H LEU A 56 -14.626 18.824 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.514 16.303 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.252 19.042 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.403 17.529 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.290 18.703 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.281 19.505 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.478 20.289 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.277 18.992 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.080 17.200 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.110 16.596 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.865 16.302 -4.353 1.00 0.00 H new ATOM 851 N SER A 57 -14.128 18.086 0.433 1.00 0.00 N ATOM 852 CA SER A 57 -14.112 18.102 1.891 1.00 0.00 C ATOM 853 C SER A 57 -15.039 17.029 2.456 1.00 0.00 C ATOM 854 O SER A 57 -15.087 16.809 3.665 1.00 0.00 O ATOM 855 CB SER A 57 -14.530 19.478 2.412 1.00 0.00 C ATOM 856 OG SER A 57 -14.771 19.443 3.808 1.00 0.00 O ATOM 0 H SER A 57 -14.736 18.787 0.010 1.00 0.00 H new ATOM 0 HA SER A 57 -13.095 17.890 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.749 20.206 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.429 19.809 1.893 1.00 0.00 H new ATOM 0 HG SER A 57 -14.639 18.530 4.140 1.00 0.00 H new ATOM 862 N ASN A 58 -15.773 16.364 1.570 1.00 0.00 N ATOM 863 CA ASN A 58 -16.699 15.315 1.978 1.00 0.00 C ATOM 864 C ASN A 58 -16.199 13.944 1.533 1.00 0.00 C ATOM 865 O ASN A 58 -16.951 12.969 1.529 1.00 0.00 O ATOM 866 CB ASN A 58 -18.090 15.577 1.396 1.00 0.00 C ATOM 867 CG ASN A 58 -18.715 16.846 1.941 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.113 17.549 2.753 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.930 17.146 1.495 1.00 0.00 N ATOM 0 H ASN A 58 -15.744 16.533 0.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.761 15.324 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.019 15.647 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.740 14.731 1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.401 17.988 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.392 16.534 0.822 1.00 0.00 H new ATOM 876 N ILE A 59 -14.926 13.878 1.159 1.00 0.00 N ATOM 877 CA ILE A 59 -14.325 12.627 0.713 1.00 0.00 C ATOM 878 C ILE A 59 -13.260 12.149 1.694 1.00 0.00 C ATOM 879 O ILE A 59 -12.394 12.918 2.112 1.00 0.00 O ATOM 880 CB ILE A 59 -13.692 12.772 -0.683 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.496 13.760 -1.531 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.612 11.418 -1.372 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.995 13.884 -2.953 1.00 0.00 C ATOM 0 H ILE A 59 -14.291 14.676 1.156 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.128 11.891 0.664 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.680 13.160 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.540 13.446 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.466 14.741 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.162 11.537 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -13.002 10.741 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.615 11.004 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.612 14.601 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.961 14.228 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.051 12.913 -3.444 1.00 0.00 H new ATOM 895 N LYS A 60 -13.329 10.872 2.058 1.00 0.00 N ATOM 896 CA LYS A 60 -12.369 10.288 2.988 1.00 0.00 C ATOM 897 C LYS A 60 -11.470 9.280 2.279 1.00 0.00 C ATOM 898 O LYS A 60 -11.915 8.500 1.437 1.00 0.00 O ATOM 899 CB LYS A 60 -13.100 9.609 4.148 1.00 0.00 C ATOM 900 CG LYS A 60 -14.429 10.259 4.493 1.00 0.00 C ATOM 901 CD LYS A 60 -14.235 11.517 5.324 1.00 0.00 C ATOM 902 CE LYS A 60 -14.097 12.750 4.445 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.612 13.973 5.121 1.00 0.00 N ATOM 0 H LYS A 60 -14.040 10.222 1.723 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.746 11.091 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.272 8.563 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.458 9.623 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.963 10.506 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.050 9.551 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.082 11.643 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.346 11.410 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.049 12.894 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.640 12.594 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.658 14.755 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.563 13.787 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.975 14.233 5.901 1.00 0.00 H new ATOM 917 N PRO A 61 -10.175 9.293 2.628 1.00 0.00 N ATOM 918 CA PRO A 61 -9.187 8.384 2.039 1.00 0.00 C ATOM 919 C PRO A 61 -9.393 6.939 2.481 1.00 0.00 C ATOM 920 O PRO A 61 -9.175 6.598 3.644 1.00 0.00 O ATOM 921 CB PRO A 61 -7.854 8.920 2.566 1.00 0.00 C ATOM 922 CG PRO A 61 -8.202 9.621 3.834 1.00 0.00 C ATOM 923 CD PRO A 61 -9.576 10.196 3.626 1.00 0.00 C ATOM 0 HA PRO A 61 -9.252 8.360 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.144 8.112 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.391 9.601 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.192 8.930 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.480 10.407 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.151 10.209 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.531 11.223 3.264 1.00 0.00 H new ATOM 931 N VAL A 62 -9.814 6.093 1.546 1.00 0.00 N ATOM 932 CA VAL A 62 -10.048 4.684 1.839 1.00 0.00 C ATOM 933 C VAL A 62 -8.738 3.904 1.865 1.00 0.00 C ATOM 934 O VAL A 62 -7.813 4.201 1.109 1.00 0.00 O ATOM 935 CB VAL A 62 -10.993 4.045 0.804 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.443 4.221 -0.603 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.211 2.573 1.120 1.00 0.00 C ATOM 0 H VAL A 62 -10.000 6.359 0.579 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.515 4.638 2.823 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.957 4.551 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.124 3.763 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.344 5.284 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.466 3.743 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.881 2.137 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.255 2.050 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.654 2.475 2.111 1.00 0.00 H new ATOM 947 N GLN A 63 -8.668 2.906 2.739 1.00 0.00 N ATOM 948 CA GLN A 63 -7.471 2.082 2.863 1.00 0.00 C ATOM 949 C GLN A 63 -7.307 1.174 1.649 1.00 0.00 C ATOM 950 O GLN A 63 -8.186 0.371 1.337 1.00 0.00 O ATOM 951 CB GLN A 63 -7.535 1.241 4.139 1.00 0.00 C ATOM 952 CG GLN A 63 -6.169 0.855 4.683 1.00 0.00 C ATOM 953 CD GLN A 63 -6.207 0.494 6.155 1.00 0.00 C ATOM 954 OE1 GLN A 63 -6.417 -0.664 6.517 1.00 0.00 O ATOM 955 NE2 GLN A 63 -6.003 1.487 7.013 1.00 0.00 N ATOM 0 H GLN A 63 -9.425 2.648 3.372 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.608 2.745 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.077 1.797 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.106 0.335 3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.782 0.009 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.476 1.683 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.833 2.432 6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.017 1.305 8.017 1.00 0.00 H new ATOM 964 N THR A 64 -6.174 1.307 0.966 1.00 0.00 N ATOM 965 CA THR A 64 -5.894 0.500 -0.215 1.00 0.00 C ATOM 966 C THR A 64 -4.653 -0.362 -0.011 1.00 0.00 C ATOM 967 O THR A 64 -4.737 -1.589 0.011 1.00 0.00 O ATOM 968 CB THR A 64 -5.694 1.380 -1.463 1.00 0.00 C ATOM 969 OG1 THR A 64 -4.618 2.299 -1.246 1.00 0.00 O ATOM 970 CG2 THR A 64 -6.965 2.149 -1.792 1.00 0.00 C ATOM 0 H THR A 64 -5.435 1.966 1.211 1.00 0.00 H new ATOM 0 HA THR A 64 -6.759 -0.144 -0.369 1.00 0.00 H new ATOM 0 HB THR A 64 -5.453 0.730 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.883 2.094 -1.861 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.800 2.764 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.776 1.446 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.231 2.789 -0.951 1.00 0.00 H new ATOM 978 N GLU A 65 -3.504 0.289 0.139 1.00 0.00 N ATOM 979 CA GLU A 65 -2.246 -0.419 0.341 1.00 0.00 C ATOM 980 C GLU A 65 -1.721 -0.203 1.757 1.00 0.00 C ATOM 981 O GLU A 65 -0.936 0.711 2.007 1.00 0.00 O ATOM 982 CB GLU A 65 -1.203 0.046 -0.678 1.00 0.00 C ATOM 983 CG GLU A 65 -1.366 -0.588 -2.049 1.00 0.00 C ATOM 984 CD GLU A 65 -2.556 -0.035 -2.809 1.00 0.00 C ATOM 985 OE1 GLU A 65 -2.496 1.138 -3.234 1.00 0.00 O ATOM 986 OE2 GLU A 65 -3.548 -0.775 -2.979 1.00 0.00 O ATOM 0 H GLU A 65 -3.419 1.305 0.124 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.432 -1.484 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.264 1.130 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.208 -0.183 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.459 -0.424 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.481 -1.666 -1.935 1.00 0.00 H new ATOM 993 N ALA A 66 -2.163 -1.050 2.681 1.00 0.00 N ATOM 994 CA ALA A 66 -1.737 -0.954 4.072 1.00 0.00 C ATOM 995 C ALA A 66 -0.528 -1.843 4.339 1.00 0.00 C ATOM 996 O ALA A 66 -0.496 -2.584 5.322 1.00 0.00 O ATOM 997 CB ALA A 66 -2.883 -1.324 5.002 1.00 0.00 C ATOM 0 H ALA A 66 -2.816 -1.810 2.491 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.445 0.078 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.551 -1.248 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.719 -0.644 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.202 -2.346 4.798 1.00 0.00 H new ATOM 1003 N TRP A 67 0.464 -1.766 3.460 1.00 0.00 N ATOM 1004 CA TRP A 67 1.675 -2.566 3.601 1.00 0.00 C ATOM 1005 C TRP A 67 2.104 -2.649 5.062 1.00 0.00 C ATOM 1006 O TRP A 67 2.595 -1.675 5.632 1.00 0.00 O ATOM 1007 CB TRP A 67 2.805 -1.971 2.758 1.00 0.00 C ATOM 1008 CG TRP A 67 3.052 -0.519 3.035 1.00 0.00 C ATOM 1009 CD1 TRP A 67 2.253 0.530 2.683 1.00 0.00 C ATOM 1010 CD2 TRP A 67 4.176 0.042 3.721 1.00 0.00 C ATOM 1011 NE1 TRP A 67 2.812 1.711 3.109 1.00 0.00 N ATOM 1012 CE2 TRP A 67 3.992 1.439 3.750 1.00 0.00 C ATOM 1013 CE3 TRP A 67 5.319 -0.498 4.317 1.00 0.00 C ATOM 1014 CZ2 TRP A 67 4.909 2.298 4.348 1.00 0.00 C ATOM 1015 CZ3 TRP A 67 6.229 0.356 4.910 1.00 0.00 C ATOM 1016 CH2 TRP A 67 6.019 1.742 4.923 1.00 0.00 C ATOM 0 H TRP A 67 0.454 -1.157 2.642 1.00 0.00 H new ATOM 0 HA TRP A 67 1.459 -3.574 3.247 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.722 -2.530 2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 67 2.566 -2.096 1.702 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.319 0.445 2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.413 2.639 2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.488 -1.565 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 4.750 3.366 4.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 7.117 -0.051 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.748 2.383 5.396 1.00 0.00 H new ATOM 1027 N VAL A 68 1.917 -3.820 5.663 1.00 0.00 N ATOM 1028 CA VAL A 68 2.287 -4.031 7.057 1.00 0.00 C ATOM 1029 C VAL A 68 3.620 -4.762 7.168 1.00 0.00 C ATOM 1030 O VAL A 68 3.781 -5.863 6.641 1.00 0.00 O ATOM 1031 CB VAL A 68 1.209 -4.836 7.808 1.00 0.00 C ATOM 1032 CG1 VAL A 68 -0.094 -4.054 7.870 1.00 0.00 C ATOM 1033 CG2 VAL A 68 0.997 -6.189 7.146 1.00 0.00 C ATOM 0 H VAL A 68 1.511 -4.637 5.206 1.00 0.00 H new ATOM 0 HA VAL A 68 2.378 -3.045 7.513 1.00 0.00 H new ATOM 0 HB VAL A 68 1.552 -5.006 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.844 -4.638 8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.072 -3.112 8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.445 -3.851 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.232 -6.744 7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.675 -6.043 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.931 -6.751 7.159 1.00 0.00 H new ATOM 1043 N ARG A 69 4.573 -4.143 7.857 1.00 0.00 N ATOM 1044 CA ARG A 69 5.893 -4.734 8.036 1.00 0.00 C ATOM 1045 C ARG A 69 5.924 -5.631 9.270 1.00 0.00 C ATOM 1046 O ARG A 69 6.484 -6.727 9.239 1.00 0.00 O ATOM 1047 CB ARG A 69 6.953 -3.638 8.163 1.00 0.00 C ATOM 1048 CG ARG A 69 8.365 -4.174 8.336 1.00 0.00 C ATOM 1049 CD ARG A 69 9.406 -3.141 7.932 1.00 0.00 C ATOM 1050 NE ARG A 69 9.551 -2.089 8.934 1.00 0.00 N ATOM 1051 CZ ARG A 69 10.179 -0.941 8.709 1.00 0.00 C ATOM 1052 NH1 ARG A 69 10.718 -0.698 7.522 1.00 0.00 N ATOM 1053 NH2 ARG A 69 10.269 -0.032 9.671 1.00 0.00 N ATOM 0 H ARG A 69 4.455 -3.232 8.300 1.00 0.00 H new ATOM 0 HA ARG A 69 6.113 -5.343 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.919 -3.007 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.707 -3.003 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.521 -4.462 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.490 -5.074 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.367 -3.634 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.124 -2.696 6.978 1.00 0.00 H new ATOM 0 HE ARG A 69 9.148 -2.245 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.651 -1.394 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.200 0.185 7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.855 -0.214 10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.752 0.849 9.496 1.00 0.00 H new ATOM 1067 N ASP A 70 5.319 -5.158 10.354 1.00 0.00 N ATOM 1068 CA ASP A 70 5.276 -5.918 11.598 1.00 0.00 C ATOM 1069 C ASP A 70 3.947 -6.653 11.741 1.00 0.00 C ATOM 1070 O ASP A 70 2.917 -6.230 11.217 1.00 0.00 O ATOM 1071 CB ASP A 70 5.491 -4.989 12.795 1.00 0.00 C ATOM 1072 CG ASP A 70 6.872 -4.365 12.802 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.157 -3.545 11.904 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.669 -4.696 13.706 1.00 0.00 O ATOM 0 H ASP A 70 4.852 -4.252 10.397 1.00 0.00 H new ATOM 0 HA ASP A 70 6.077 -6.656 11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.739 -4.200 12.779 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.344 -5.550 13.718 1.00 0.00 H new ATOM 1079 N PRO A 71 3.970 -7.781 12.467 1.00 0.00 N ATOM 1080 CA PRO A 71 2.775 -8.599 12.695 1.00 0.00 C ATOM 1081 C PRO A 71 1.768 -7.912 13.612 1.00 0.00 C ATOM 1082 O PRO A 71 1.976 -6.777 14.037 1.00 0.00 O ATOM 1083 CB PRO A 71 3.330 -9.861 13.360 1.00 0.00 C ATOM 1084 CG PRO A 71 4.599 -9.421 14.006 1.00 0.00 C ATOM 1085 CD PRO A 71 5.162 -8.344 13.121 1.00 0.00 C ATOM 0 HA PRO A 71 2.231 -8.792 11.770 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.631 -10.262 14.093 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.510 -10.648 12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.414 -9.043 15.012 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.297 -10.253 14.101 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.698 -7.590 13.697 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.866 -8.749 12.394 1.00 0.00 H new ATOM 1093 N ASN A 72 0.678 -8.610 13.914 1.00 0.00 N ATOM 1094 CA ASN A 72 -0.361 -8.066 14.782 1.00 0.00 C ATOM 1095 C ASN A 72 -0.252 -8.646 16.189 1.00 0.00 C ATOM 1096 O ASN A 72 -0.066 -7.913 17.160 1.00 0.00 O ATOM 1097 CB ASN A 72 -1.745 -8.363 14.201 1.00 0.00 C ATOM 1098 CG ASN A 72 -1.784 -8.215 12.693 1.00 0.00 C ATOM 1099 OD1 ASN A 72 -1.916 -9.199 11.965 1.00 0.00 O ATOM 1100 ND2 ASN A 72 -1.667 -6.981 12.216 1.00 0.00 N ATOM 0 H ASN A 72 0.491 -9.552 13.571 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.223 -6.986 14.842 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.039 -9.377 14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.476 -7.689 14.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.685 -6.820 11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.559 -6.195 12.857 1.00 0.00 H new ATOM 1107 N SER A 73 -0.369 -9.966 16.290 1.00 0.00 N ATOM 1108 CA SER A 73 -0.287 -10.644 17.579 1.00 0.00 C ATOM 1109 C SER A 73 1.102 -10.486 18.188 1.00 0.00 C ATOM 1110 O SER A 73 2.113 -10.715 17.525 1.00 0.00 O ATOM 1111 CB SER A 73 -0.622 -12.128 17.420 1.00 0.00 C ATOM 1112 OG SER A 73 -1.996 -12.313 17.127 1.00 0.00 O ATOM 0 H SER A 73 -0.521 -10.587 15.495 1.00 0.00 H new ATOM 0 HA SER A 73 -1.013 -10.185 18.251 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.016 -12.557 16.622 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.367 -12.661 18.336 1.00 0.00 H new ATOM 0 HG SER A 73 -2.184 -13.270 17.029 1.00 0.00 H new ATOM 1118 N GLY A 74 1.144 -10.093 19.458 1.00 0.00 N ATOM 1119 CA GLY A 74 2.414 -9.911 20.136 1.00 0.00 C ATOM 1120 C GLY A 74 2.543 -10.785 21.369 1.00 0.00 C ATOM 1121 O GLY A 74 2.935 -11.949 21.292 1.00 0.00 O ATOM 0 H GLY A 74 0.321 -9.898 20.029 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.227 -10.139 19.446 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.523 -8.865 20.423 1.00 0.00 H new ATOM 1125 N PRO A 75 2.209 -10.218 22.538 1.00 0.00 N ATOM 1126 CA PRO A 75 2.283 -10.936 23.814 1.00 0.00 C ATOM 1127 C PRO A 75 1.223 -12.026 23.928 1.00 0.00 C ATOM 1128 O PRO A 75 0.265 -12.057 23.156 1.00 0.00 O ATOM 1129 CB PRO A 75 2.035 -9.838 24.852 1.00 0.00 C ATOM 1130 CG PRO A 75 1.249 -8.801 24.127 1.00 0.00 C ATOM 1131 CD PRO A 75 1.734 -8.835 22.704 1.00 0.00 C ATOM 0 HA PRO A 75 3.235 -11.452 23.937 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.485 -10.222 25.711 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.973 -9.431 25.230 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.181 -9.012 24.181 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.402 -7.816 24.568 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.935 -8.598 22.002 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.533 -8.113 22.534 1.00 0.00 H new ATOM 1139 N SER A 76 1.402 -12.920 24.896 1.00 0.00 N ATOM 1140 CA SER A 76 0.463 -14.014 25.109 1.00 0.00 C ATOM 1141 C SER A 76 -0.275 -13.847 26.434 1.00 0.00 C ATOM 1142 O SER A 76 0.308 -13.427 27.433 1.00 0.00 O ATOM 1143 CB SER A 76 1.197 -15.356 25.087 1.00 0.00 C ATOM 1144 OG SER A 76 2.315 -15.340 25.957 1.00 0.00 O ATOM 0 H SER A 76 2.189 -12.907 25.545 1.00 0.00 H new ATOM 0 HA SER A 76 -0.268 -13.994 24.301 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.514 -16.153 25.382 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.526 -15.578 24.072 1.00 0.00 H new ATOM 0 HG SER A 76 2.766 -16.210 25.926 1.00 0.00 H new ATOM 1150 N SER A 77 -1.562 -14.180 26.433 1.00 0.00 N ATOM 1151 CA SER A 77 -2.382 -14.064 27.633 1.00 0.00 C ATOM 1152 C SER A 77 -3.738 -14.733 27.432 1.00 0.00 C ATOM 1153 O SER A 77 -4.402 -14.523 26.417 1.00 0.00 O ATOM 1154 CB SER A 77 -2.577 -12.592 28.003 1.00 0.00 C ATOM 1155 OG SER A 77 -3.195 -11.879 26.946 1.00 0.00 O ATOM 0 H SER A 77 -2.059 -14.532 25.615 1.00 0.00 H new ATOM 0 HA SER A 77 -1.864 -14.571 28.447 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.188 -12.518 28.902 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.612 -12.141 28.235 1.00 0.00 H new ATOM 0 HG SER A 77 -3.834 -12.463 26.487 1.00 0.00 H new ATOM 1161 N GLY A 78 -4.144 -15.541 28.407 1.00 0.00 N ATOM 1162 CA GLY A 78 -5.418 -16.230 28.318 1.00 0.00 C ATOM 1163 C GLY A 78 -6.597 -15.283 28.425 1.00 0.00 C ATOM 1164 O GLY A 78 -7.744 -15.718 28.526 1.00 0.00 O ATOM 0 H GLY A 78 -3.613 -15.731 29.257 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.472 -16.767 27.371 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.481 -16.975 29.111 1.00 0.00 H new TER 1168 GLY A 78