USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS :FLIP no HD1:sc= -0.363 F(o=-1,f=0.72) USER MOD Set 1.2: A 69 THR OG1 : rot 3:sc= 1.08 USER MOD Single : A 1 SER OG : rot -26:sc= 1.23 USER MOD Single : A 7 LYS NZ :NH3+ -164:sc=-0.00503 (180deg=-0.101) USER MOD Single : A 8 ASN : amide:sc= -0.0028 K(o=-0.0028,f=-0.79) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 114:sc= 0.551 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -174:sc= -2.38! (180deg=-2.57) USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.971 USER MOD Single : A 29 ASN : amide:sc= -7.84! C(o=-7.8!,f=-19!) USER MOD Single : A 31 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 33 HIS : no HE2:sc= -2.96! C(o=-3!,f=-4.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -113:sc= 0.376 USER MOD Single : A 43 MET CE :methyl -160:sc= -0.768 (180deg=-2.36!) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.185 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.32 K(o=-1.3,f=-19!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 63 THR OG1 : rot 173:sc= 0.0296 USER MOD Single : A 64 SER OG : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 10.796 7.278 -10.745 1.00 0.00 C HETATM 2 O ACE A 0 11.709 6.473 -10.917 1.00 0.00 O HETATM 3 CH3 ACE A 0 10.264 8.107 -11.892 1.00 0.00 C HETATM 0 H1 ACE A 0 9.204 7.894 -12.034 1.00 0.00 H new HETATM 0 H2 ACE A 0 10.395 9.166 -11.667 1.00 0.00 H new HETATM 0 H3 ACE A 0 10.809 7.860 -12.803 1.00 0.00 H new ATOM 7 N SER A 1 10.200 7.491 -9.570 1.00 0.00 N ATOM 8 CA SER A 1 10.561 6.782 -8.299 1.00 0.00 C ATOM 9 C SER A 1 11.952 7.145 -7.659 1.00 0.00 C ATOM 10 O SER A 1 12.833 7.746 -8.279 1.00 0.00 O ATOM 11 CB SER A 1 10.313 5.244 -8.411 1.00 0.00 C ATOM 12 OG SER A 1 11.366 4.597 -9.129 1.00 0.00 O ATOM 0 H SER A 1 9.443 8.164 -9.452 1.00 0.00 H new ATOM 0 HA SER A 1 9.866 7.186 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.233 4.813 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.363 5.063 -8.914 1.00 0.00 H new ATOM 0 HG SER A 1 11.788 5.238 -9.738 1.00 0.00 H new ATOM 18 N ARG A 2 12.169 6.738 -6.393 1.00 0.00 N ATOM 19 CA ARG A 2 13.502 6.513 -5.845 1.00 0.00 C ATOM 20 C ARG A 2 13.778 5.023 -5.693 1.00 0.00 C ATOM 21 O ARG A 2 14.017 4.530 -4.590 1.00 0.00 O ATOM 22 CB ARG A 2 13.644 7.215 -4.492 1.00 0.00 C ATOM 23 CG ARG A 2 13.482 8.726 -4.569 1.00 0.00 C ATOM 24 CD ARG A 2 14.455 9.437 -3.643 1.00 0.00 C ATOM 25 NE ARG A 2 14.371 10.890 -3.771 1.00 0.00 N ATOM 26 CZ ARG A 2 14.788 11.743 -2.836 1.00 0.00 C ATOM 27 NH1 ARG A 2 15.322 11.292 -1.707 1.00 0.00 N ATOM 28 NH2 ARG A 2 14.672 13.048 -3.031 1.00 0.00 N ATOM 0 H ARG A 2 11.417 6.558 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 2 14.232 6.930 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.900 6.813 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.624 6.984 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.644 9.059 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.460 8.998 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.248 9.151 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.471 9.112 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 2 13.970 11.274 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.415 10.288 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.640 11.949 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.263 13.400 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.991 13.701 -2.315 1.00 0.00 H new ATOM 42 N ARG A 3 13.748 4.307 -6.813 1.00 0.00 N ATOM 43 CA ARG A 3 13.994 2.868 -6.813 1.00 0.00 C ATOM 44 C ARG A 3 13.082 2.159 -5.817 1.00 0.00 C ATOM 45 O ARG A 3 13.368 2.112 -4.620 1.00 0.00 O ATOM 46 CB ARG A 3 15.460 2.578 -6.478 1.00 0.00 C ATOM 47 CG ARG A 3 16.088 1.517 -7.367 1.00 0.00 C ATOM 48 CD ARG A 3 16.486 2.083 -8.722 1.00 0.00 C ATOM 49 NE ARG A 3 17.933 2.253 -8.842 1.00 0.00 N ATOM 50 CZ ARG A 3 18.555 3.433 -8.823 1.00 0.00 C ATOM 51 NH1 ARG A 3 17.866 4.560 -8.682 1.00 0.00 N ATOM 52 NH2 ARG A 3 19.875 3.484 -8.943 1.00 0.00 N ATOM 0 H ARG A 3 13.555 4.700 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 3 13.776 2.488 -7.811 1.00 0.00 H new ATOM 0 HB2 ARG A 3 16.034 3.501 -6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.530 2.257 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 3 16.967 1.102 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.384 0.697 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.133 1.418 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.995 3.044 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 3 18.504 1.415 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.851 4.529 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.352 5.457 -8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.411 2.623 -9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.354 4.384 -8.929 1.00 0.00 H new ATOM 66 N CYS A 4 11.981 1.609 -6.317 1.00 0.00 N ATOM 67 CA CYS A 4 11.031 0.904 -5.469 1.00 0.00 C ATOM 68 C CYS A 4 10.968 -0.568 -5.832 1.00 0.00 C ATOM 69 O CYS A 4 10.970 -0.932 -7.008 1.00 0.00 O ATOM 70 CB CYS A 4 9.644 1.542 -5.574 1.00 0.00 C ATOM 71 SG CYS A 4 9.559 3.245 -4.933 1.00 0.00 S ATOM 0 H CYS A 4 11.726 1.638 -7.304 1.00 0.00 H new ATOM 0 HA CYS A 4 11.373 0.984 -4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 4 9.334 1.543 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 4 8.929 0.924 -5.030 1.00 0.00 H new ATOM 76 N PRO A 5 10.922 -1.445 -4.816 1.00 0.00 N ATOM 77 CA PRO A 5 10.873 -2.880 -5.036 1.00 0.00 C ATOM 78 C PRO A 5 9.474 -3.373 -5.384 1.00 0.00 C ATOM 79 O PRO A 5 8.494 -2.642 -5.241 1.00 0.00 O ATOM 80 CB PRO A 5 11.324 -3.452 -3.696 1.00 0.00 C ATOM 81 CG PRO A 5 10.863 -2.449 -2.694 1.00 0.00 C ATOM 82 CD PRO A 5 10.926 -1.107 -3.378 1.00 0.00 C ATOM 0 HA PRO A 5 11.493 -3.184 -5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.881 -4.431 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.406 -3.580 -3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.848 -2.669 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.498 -2.464 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.074 -0.482 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.825 -0.557 -3.099 1.00 0.00 H new ATOM 89 N GLY A 6 9.387 -4.620 -5.832 1.00 0.00 N ATOM 90 CA GLY A 6 8.102 -5.195 -6.184 1.00 0.00 C ATOM 91 C GLY A 6 7.502 -4.572 -7.428 1.00 0.00 C ATOM 92 O GLY A 6 7.838 -3.447 -7.797 1.00 0.00 O ATOM 0 H GLY A 6 10.184 -5.244 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.219 -6.267 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.411 -5.068 -5.350 1.00 0.00 H new ATOM 96 N LYS A 7 6.604 -5.309 -8.068 1.00 0.00 N ATOM 97 CA LYS A 7 5.936 -4.846 -9.278 1.00 0.00 C ATOM 98 C LYS A 7 5.338 -3.448 -9.079 1.00 0.00 C ATOM 99 O LYS A 7 4.934 -3.089 -7.971 1.00 0.00 O ATOM 100 CB LYS A 7 4.869 -5.860 -9.678 1.00 0.00 C ATOM 101 CG LYS A 7 4.257 -5.586 -11.034 1.00 0.00 C ATOM 102 CD LYS A 7 3.470 -6.785 -11.545 1.00 0.00 C ATOM 103 CE LYS A 7 4.318 -7.655 -12.455 1.00 0.00 C ATOM 104 NZ LYS A 7 4.539 -7.018 -13.783 1.00 0.00 N ATOM 0 H LYS A 7 6.319 -6.240 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 7 6.665 -4.764 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.309 -6.857 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.080 -5.862 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.599 -4.719 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.044 -5.336 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.115 -7.376 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.589 -6.440 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.280 -7.848 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.831 -8.620 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.878 -7.732 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.645 -6.613 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.249 -6.263 -13.692 1.00 0.00 H new ATOM 118 N ASN A 8 5.314 -2.654 -10.155 1.00 0.00 N ATOM 119 CA ASN A 8 4.798 -1.283 -10.095 1.00 0.00 C ATOM 120 C ASN A 8 3.486 -1.118 -10.868 1.00 0.00 C ATOM 121 O ASN A 8 2.909 -0.036 -10.894 1.00 0.00 O ATOM 122 CB ASN A 8 5.840 -0.308 -10.648 1.00 0.00 C ATOM 123 CG ASN A 8 7.053 -0.180 -9.748 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.748 -1.160 -9.478 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.318 1.036 -9.282 1.00 0.00 N ATOM 0 H ASN A 8 5.646 -2.937 -11.077 1.00 0.00 H new ATOM 0 HA ASN A 8 4.594 -1.063 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.158 -0.643 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.382 0.673 -10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.124 1.185 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.715 1.820 -9.531 1.00 0.00 H new ATOM 132 N ALA A 9 3.024 -2.189 -11.493 1.00 0.00 N ATOM 133 CA ALA A 9 1.785 -2.160 -12.263 1.00 0.00 C ATOM 134 C ALA A 9 1.259 -3.577 -12.438 1.00 0.00 C ATOM 135 O ALA A 9 2.012 -4.483 -12.792 1.00 0.00 O ATOM 136 CB ALA A 9 2.016 -1.506 -13.618 1.00 0.00 C ATOM 0 H ALA A 9 3.490 -3.096 -11.483 1.00 0.00 H new ATOM 0 HA ALA A 9 1.044 -1.570 -11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.082 -1.493 -14.180 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.367 -0.484 -13.474 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.764 -2.072 -14.172 1.00 0.00 H new ATOM 142 N TRP A 10 -0.025 -3.774 -12.181 1.00 0.00 N ATOM 143 CA TRP A 10 -0.619 -5.099 -12.304 1.00 0.00 C ATOM 144 C TRP A 10 -1.738 -5.117 -13.341 1.00 0.00 C ATOM 145 O TRP A 10 -2.913 -5.224 -12.999 1.00 0.00 O ATOM 146 CB TRP A 10 -1.151 -5.569 -10.947 1.00 0.00 C ATOM 147 CG TRP A 10 -0.070 -5.859 -9.953 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.445 -7.083 -9.637 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.628 -4.908 -9.141 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.426 -6.950 -8.685 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.557 -5.625 -8.363 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.560 -3.522 -8.999 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.410 -5.000 -7.456 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.408 -2.900 -8.096 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.323 -3.640 -7.336 1.00 0.00 C ATOM 0 H TRP A 10 -0.672 -3.042 -11.888 1.00 0.00 H new ATOM 0 HA TRP A 10 0.160 -5.783 -12.641 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.813 -4.805 -10.540 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.752 -6.467 -11.092 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.127 -8.019 -10.072 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.969 -7.714 -8.283 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.141 -2.944 -9.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.115 -5.569 -6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.363 -1.828 -7.976 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.972 -3.127 -6.642 1.00 0.00 H new ATOM 166 N PRO A 11 -1.387 -5.031 -14.633 1.00 0.00 N ATOM 167 CA PRO A 11 -2.376 -5.056 -15.713 1.00 0.00 C ATOM 168 C PRO A 11 -3.228 -6.320 -15.668 1.00 0.00 C ATOM 169 O PRO A 11 -4.423 -6.289 -15.967 1.00 0.00 O ATOM 170 CB PRO A 11 -1.528 -5.020 -16.992 1.00 0.00 C ATOM 171 CG PRO A 11 -0.146 -5.388 -16.563 1.00 0.00 C ATOM 172 CD PRO A 11 -0.012 -4.918 -15.143 1.00 0.00 C ATOM 0 HA PRO A 11 -3.080 -4.227 -15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.908 -5.721 -17.735 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.547 -4.030 -17.448 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.010 -6.464 -16.634 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.600 -4.915 -17.202 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.682 -5.537 -14.575 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.357 -3.894 -15.089 1.00 0.00 H new ATOM 179 N GLU A 12 -2.603 -7.429 -15.282 1.00 0.00 N ATOM 180 CA GLU A 12 -3.300 -8.708 -15.190 1.00 0.00 C ATOM 181 C GLU A 12 -4.401 -8.682 -14.131 1.00 0.00 C ATOM 182 O GLU A 12 -5.214 -9.602 -14.056 1.00 0.00 O ATOM 183 CB GLU A 12 -2.313 -9.828 -14.889 1.00 0.00 C ATOM 184 CG GLU A 12 -1.386 -9.514 -13.736 1.00 0.00 C ATOM 185 CD GLU A 12 0.024 -9.195 -14.192 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.216 -8.127 -14.811 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.933 -10.011 -13.932 1.00 0.00 O ATOM 0 H GLU A 12 -1.616 -7.468 -15.028 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.772 -8.892 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.866 -10.740 -14.664 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.718 -10.028 -15.780 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.783 -8.668 -13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.360 -10.364 -13.054 1.00 0.00 H new ATOM 194 N LEU A 13 -4.436 -7.628 -13.316 1.00 0.00 N ATOM 195 CA LEU A 13 -5.459 -7.511 -12.285 1.00 0.00 C ATOM 196 C LEU A 13 -6.763 -7.003 -12.888 1.00 0.00 C ATOM 197 O LEU A 13 -7.841 -7.222 -12.335 1.00 0.00 O ATOM 198 CB LEU A 13 -5.004 -6.578 -11.153 1.00 0.00 C ATOM 199 CG LEU A 13 -4.070 -7.221 -10.124 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.777 -6.257 -8.984 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.675 -8.511 -9.589 1.00 0.00 C ATOM 0 H LEU A 13 -3.774 -6.852 -13.351 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.623 -8.502 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.500 -5.717 -11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.886 -6.201 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.129 -7.459 -10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.112 -6.735 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.300 -5.360 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.709 -5.984 -8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.998 -8.955 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.631 -8.294 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.830 -9.209 -10.412 1.00 0.00 H new ATOM 213 N VAL A 14 -6.660 -6.328 -14.031 1.00 0.00 N ATOM 214 CA VAL A 14 -7.832 -5.793 -14.709 1.00 0.00 C ATOM 215 C VAL A 14 -8.818 -6.905 -15.052 1.00 0.00 C ATOM 216 O VAL A 14 -8.533 -7.764 -15.886 1.00 0.00 O ATOM 217 CB VAL A 14 -7.436 -5.055 -16.003 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.649 -4.388 -16.637 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.337 -4.039 -15.724 1.00 0.00 C ATOM 0 H VAL A 14 -5.776 -6.140 -14.504 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.306 -5.088 -14.026 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.048 -5.787 -16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.346 -3.873 -17.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.396 -5.145 -16.878 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.075 -3.668 -15.938 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.071 -3.528 -16.649 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.692 -3.310 -14.996 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.460 -4.551 -15.327 1.00 0.00 H new ATOM 229 N GLY A 15 -9.973 -6.890 -14.396 1.00 0.00 N ATOM 230 CA GLY A 15 -10.977 -7.908 -14.641 1.00 0.00 C ATOM 231 C GLY A 15 -11.222 -8.784 -13.427 1.00 0.00 C ATOM 232 O GLY A 15 -12.114 -9.634 -13.439 1.00 0.00 O ATOM 0 H GLY A 15 -10.232 -6.191 -13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.911 -7.429 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.662 -8.531 -15.478 1.00 0.00 H new ATOM 236 N LYS A 16 -10.433 -8.580 -12.375 1.00 0.00 N ATOM 237 CA LYS A 16 -10.582 -9.362 -11.151 1.00 0.00 C ATOM 238 C LYS A 16 -11.295 -8.550 -10.075 1.00 0.00 C ATOM 239 O LYS A 16 -11.750 -7.439 -10.329 1.00 0.00 O ATOM 240 CB LYS A 16 -9.215 -9.826 -10.644 1.00 0.00 C ATOM 241 CG LYS A 16 -8.974 -11.315 -10.828 1.00 0.00 C ATOM 242 CD LYS A 16 -9.806 -12.136 -9.854 1.00 0.00 C ATOM 243 CE LYS A 16 -10.014 -13.556 -10.356 1.00 0.00 C ATOM 244 NZ LYS A 16 -10.478 -14.466 -9.272 1.00 0.00 N ATOM 0 H LYS A 16 -9.688 -7.884 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.188 -10.239 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.435 -9.272 -11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.126 -9.580 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.220 -11.601 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.917 -11.535 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.311 -12.161 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.773 -11.656 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.745 -13.552 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.080 -13.934 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.608 -15.424 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.769 -14.490 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.382 -14.120 -8.891 1.00 0.00 H new ATOM 258 N SER A 17 -11.394 -9.113 -8.875 1.00 0.00 N ATOM 259 CA SER A 17 -12.058 -8.432 -7.767 1.00 0.00 C ATOM 260 C SER A 17 -11.106 -7.458 -7.083 1.00 0.00 C ATOM 261 O SER A 17 -9.928 -7.756 -6.896 1.00 0.00 O ATOM 262 CB SER A 17 -12.573 -9.449 -6.747 1.00 0.00 C ATOM 263 OG SER A 17 -11.530 -9.877 -5.889 1.00 0.00 O ATOM 0 H SER A 17 -11.025 -10.035 -8.645 1.00 0.00 H new ATOM 0 HA SER A 17 -12.901 -7.873 -8.172 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.375 -9.005 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.998 -10.308 -7.266 1.00 0.00 H new ATOM 0 HG SER A 17 -11.711 -9.571 -4.976 1.00 0.00 H new ATOM 269 N GLY A 18 -11.625 -6.293 -6.703 1.00 0.00 N ATOM 270 CA GLY A 18 -10.802 -5.297 -6.038 1.00 0.00 C ATOM 271 C GLY A 18 -10.015 -5.885 -4.882 1.00 0.00 C ATOM 272 O GLY A 18 -8.921 -5.418 -4.562 1.00 0.00 O ATOM 0 H GLY A 18 -12.598 -6.021 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.112 -4.858 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.436 -4.490 -5.671 1.00 0.00 H new ATOM 276 N ASN A 19 -10.574 -6.918 -4.255 1.00 0.00 N ATOM 277 CA ASN A 19 -9.919 -7.575 -3.131 1.00 0.00 C ATOM 278 C ASN A 19 -8.719 -8.384 -3.604 1.00 0.00 C ATOM 279 O ASN A 19 -7.632 -8.288 -3.035 1.00 0.00 O ATOM 280 CB ASN A 19 -10.905 -8.484 -2.393 1.00 0.00 C ATOM 281 CG ASN A 19 -10.743 -8.412 -0.887 1.00 0.00 C ATOM 282 OD1 ASN A 19 -10.042 -9.227 -0.287 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.391 -7.433 -0.268 1.00 0.00 N ATOM 0 H ASN A 19 -11.478 -7.316 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.570 -6.803 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.924 -8.203 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.762 -9.513 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.319 -7.334 0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.961 -6.780 -0.805 1.00 0.00 H new ATOM 290 N MET A 20 -8.919 -9.179 -4.649 1.00 0.00 N ATOM 291 CA MET A 20 -7.839 -9.989 -5.194 1.00 0.00 C ATOM 292 C MET A 20 -6.752 -9.086 -5.764 1.00 0.00 C ATOM 293 O MET A 20 -5.571 -9.430 -5.750 1.00 0.00 O ATOM 294 CB MET A 20 -8.362 -10.933 -6.278 1.00 0.00 C ATOM 295 CG MET A 20 -7.440 -12.109 -6.557 1.00 0.00 C ATOM 296 SD MET A 20 -7.934 -13.602 -5.673 1.00 0.00 S ATOM 297 CE MET A 20 -8.328 -12.932 -4.060 1.00 0.00 C ATOM 0 H MET A 20 -9.812 -9.279 -5.132 1.00 0.00 H new ATOM 0 HA MET A 20 -7.419 -10.593 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.339 -11.311 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.508 -10.369 -7.200 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.430 -12.312 -7.628 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.422 -11.843 -6.273 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.547 -13.748 -3.371 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.479 -12.360 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.198 -12.280 -4.139 1.00 0.00 H new ATOM 307 N ALA A 21 -7.164 -7.917 -6.249 1.00 0.00 N ATOM 308 CA ALA A 21 -6.232 -6.950 -6.806 1.00 0.00 C ATOM 309 C ALA A 21 -5.331 -6.388 -5.714 1.00 0.00 C ATOM 310 O ALA A 21 -4.113 -6.578 -5.739 1.00 0.00 O ATOM 311 CB ALA A 21 -6.989 -5.826 -7.499 1.00 0.00 C ATOM 0 H ALA A 21 -8.140 -7.620 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.607 -7.455 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.279 -5.109 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.597 -6.239 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.634 -5.324 -6.778 1.00 0.00 H new ATOM 317 N ALA A 22 -5.939 -5.715 -4.737 1.00 0.00 N ATOM 318 CA ALA A 22 -5.186 -5.144 -3.626 1.00 0.00 C ATOM 319 C ALA A 22 -4.337 -6.214 -2.953 1.00 0.00 C ATOM 320 O ALA A 22 -3.218 -5.951 -2.509 1.00 0.00 O ATOM 321 CB ALA A 22 -6.126 -4.499 -2.619 1.00 0.00 C ATOM 0 H ALA A 22 -6.945 -5.554 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.523 -4.374 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.546 -4.079 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.693 -3.706 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.814 -5.250 -2.230 1.00 0.00 H new ATOM 327 N ALA A 23 -4.878 -7.427 -2.890 1.00 0.00 N ATOM 328 CA ALA A 23 -4.172 -8.545 -2.285 1.00 0.00 C ATOM 329 C ALA A 23 -2.946 -8.908 -3.111 1.00 0.00 C ATOM 330 O ALA A 23 -1.860 -9.110 -2.572 1.00 0.00 O ATOM 331 CB ALA A 23 -5.099 -9.745 -2.151 1.00 0.00 C ATOM 0 H ALA A 23 -5.803 -7.658 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.841 -8.250 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.557 -10.574 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.949 -9.480 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.455 -10.041 -3.138 1.00 0.00 H new ATOM 337 N THR A 24 -3.126 -8.976 -4.426 1.00 0.00 N ATOM 338 CA THR A 24 -2.032 -9.308 -5.331 1.00 0.00 C ATOM 339 C THR A 24 -0.900 -8.297 -5.198 1.00 0.00 C ATOM 340 O THR A 24 0.274 -8.661 -5.212 1.00 0.00 O ATOM 341 CB THR A 24 -2.529 -9.350 -6.778 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.570 -10.299 -6.924 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.446 -9.704 -7.774 1.00 0.00 C ATOM 0 H THR A 24 -4.019 -8.806 -4.888 1.00 0.00 H new ATOM 0 HA THR A 24 -1.653 -10.294 -5.060 1.00 0.00 H new ATOM 0 HB THR A 24 -2.881 -8.340 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.434 -9.862 -6.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.866 -9.716 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.648 -8.963 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.042 -10.688 -7.538 1.00 0.00 H new ATOM 351 N VAL A 25 -1.261 -7.025 -5.070 1.00 0.00 N ATOM 352 CA VAL A 25 -0.269 -5.964 -4.937 1.00 0.00 C ATOM 353 C VAL A 25 0.500 -6.081 -3.627 1.00 0.00 C ATOM 354 O VAL A 25 1.727 -6.150 -3.626 1.00 0.00 O ATOM 355 CB VAL A 25 -0.917 -4.568 -5.021 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.148 -3.489 -5.152 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.898 -4.505 -6.182 1.00 0.00 C ATOM 0 H VAL A 25 -2.229 -6.704 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 25 0.425 -6.082 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.469 -4.388 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.330 -2.511 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.806 -3.520 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.732 -3.662 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.346 -3.512 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.371 -4.707 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.680 -5.250 -6.038 1.00 0.00 H new ATOM 367 N GLU A 26 -0.219 -6.092 -2.511 1.00 0.00 N ATOM 368 CA GLU A 26 0.418 -6.193 -1.203 1.00 0.00 C ATOM 369 C GLU A 26 1.171 -7.514 -1.052 1.00 0.00 C ATOM 370 O GLU A 26 2.139 -7.601 -0.296 1.00 0.00 O ATOM 371 CB GLU A 26 -0.622 -6.053 -0.093 1.00 0.00 C ATOM 372 CG GLU A 26 -1.554 -4.866 -0.284 1.00 0.00 C ATOM 373 CD GLU A 26 -1.523 -3.899 0.885 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.078 -4.301 1.980 1.00 0.00 O ATOM 375 OE2 GLU A 26 -1.947 -2.738 0.703 1.00 0.00 O ATOM 0 H GLU A 26 -1.237 -6.033 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 26 1.140 -5.380 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.215 -6.966 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.110 -5.953 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.277 -4.336 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.573 -5.228 -0.423 1.00 0.00 H new ATOM 382 N ARG A 27 0.724 -8.543 -1.769 1.00 0.00 N ATOM 383 CA ARG A 27 1.365 -9.853 -1.701 1.00 0.00 C ATOM 384 C ARG A 27 2.612 -9.898 -2.580 1.00 0.00 C ATOM 385 O ARG A 27 3.710 -10.178 -2.101 1.00 0.00 O ATOM 386 CB ARG A 27 0.389 -10.953 -2.123 1.00 0.00 C ATOM 387 CG ARG A 27 0.677 -12.301 -1.484 1.00 0.00 C ATOM 388 CD ARG A 27 -0.162 -13.404 -2.109 1.00 0.00 C ATOM 389 NE ARG A 27 0.199 -13.644 -3.503 1.00 0.00 N ATOM 390 CZ ARG A 27 -0.446 -14.491 -4.302 1.00 0.00 C ATOM 391 NH1 ARG A 27 -1.487 -15.178 -3.850 1.00 0.00 N ATOM 392 NH2 ARG A 27 -0.050 -14.648 -5.557 1.00 0.00 N ATOM 0 H ARG A 27 -0.076 -8.495 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 27 1.664 -10.024 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.624 -10.647 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.422 -11.060 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.735 -12.539 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.473 -12.249 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.034 -14.324 -1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.217 -13.135 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 27 0.993 -13.132 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.797 -15.059 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.977 -15.826 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.748 -14.120 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.544 -15.297 -6.170 1.00 0.00 H new ATOM 406 N GLU A 28 2.436 -9.618 -3.869 1.00 0.00 N ATOM 407 CA GLU A 28 3.553 -9.624 -4.808 1.00 0.00 C ATOM 408 C GLU A 28 4.557 -8.538 -4.447 1.00 0.00 C ATOM 409 O GLU A 28 5.762 -8.702 -4.639 1.00 0.00 O ATOM 410 CB GLU A 28 3.051 -9.417 -6.239 1.00 0.00 C ATOM 411 CG GLU A 28 2.130 -10.524 -6.727 1.00 0.00 C ATOM 412 CD GLU A 28 2.100 -10.632 -8.239 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.911 -9.592 -8.905 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.268 -11.755 -8.758 1.00 0.00 O ATOM 0 H GLU A 28 1.534 -9.385 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 28 4.047 -10.594 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.523 -8.465 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.908 -9.347 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.455 -11.475 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.120 -10.340 -6.359 1.00 0.00 H new ATOM 421 N ASN A 29 4.050 -7.433 -3.917 1.00 0.00 N ATOM 422 CA ASN A 29 4.893 -6.313 -3.520 1.00 0.00 C ATOM 423 C ASN A 29 4.641 -5.939 -2.063 1.00 0.00 C ATOM 424 O ASN A 29 3.927 -4.978 -1.768 1.00 0.00 O ATOM 425 CB ASN A 29 4.628 -5.110 -4.424 1.00 0.00 C ATOM 426 CG ASN A 29 5.575 -3.964 -4.137 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.980 -3.752 -2.991 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.940 -3.223 -5.179 1.00 0.00 N ATOM 0 H ASN A 29 3.054 -7.288 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 29 5.936 -6.613 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.729 -5.411 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.600 -4.774 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.581 -2.441 -5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.579 -3.437 -6.109 1.00 0.00 H new ATOM 435 N ARG A 30 5.239 -6.704 -1.155 1.00 0.00 N ATOM 436 CA ARG A 30 5.087 -6.467 0.277 1.00 0.00 C ATOM 437 C ARG A 30 5.659 -5.113 0.706 1.00 0.00 C ATOM 438 O ARG A 30 5.597 -4.761 1.884 1.00 0.00 O ATOM 439 CB ARG A 30 5.769 -7.588 1.070 1.00 0.00 C ATOM 440 CG ARG A 30 4.827 -8.719 1.460 1.00 0.00 C ATOM 441 CD ARG A 30 4.666 -8.818 2.970 1.00 0.00 C ATOM 442 NE ARG A 30 5.513 -9.861 3.544 1.00 0.00 N ATOM 443 CZ ARG A 30 5.359 -10.344 4.776 1.00 0.00 C ATOM 444 NH1 ARG A 30 4.393 -9.884 5.561 1.00 0.00 N ATOM 445 NH2 ARG A 30 6.173 -11.291 5.222 1.00 0.00 N ATOM 0 H ARG A 30 5.836 -7.497 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 30 4.018 -6.456 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.587 -7.996 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.210 -7.166 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.852 -8.557 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.210 -9.663 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.914 -7.859 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.623 -9.025 3.211 1.00 0.00 H new ATOM 0 HE ARG A 30 6.265 -10.241 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.763 -9.157 5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.280 -10.258 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.916 -11.649 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.056 -11.662 6.165 1.00 0.00 H new ATOM 459 N ASN A 31 6.219 -4.354 -0.236 1.00 0.00 N ATOM 460 CA ASN A 31 6.792 -3.053 0.089 1.00 0.00 C ATOM 461 C ASN A 31 5.843 -1.913 -0.277 1.00 0.00 C ATOM 462 O ASN A 31 6.167 -0.742 -0.078 1.00 0.00 O ATOM 463 CB ASN A 31 8.125 -2.868 -0.630 1.00 0.00 C ATOM 464 CG ASN A 31 8.804 -1.563 -0.262 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.626 -0.546 -0.933 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.586 -1.585 0.812 1.00 0.00 N ATOM 0 H ASN A 31 6.287 -4.616 -1.219 1.00 0.00 H new ATOM 0 HA ASN A 31 6.954 -3.024 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.785 -3.700 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.961 -2.898 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.067 -0.736 1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.705 -2.450 1.339 1.00 0.00 H new ATOM 473 N VAL A 32 4.674 -2.253 -0.815 1.00 0.00 N ATOM 474 CA VAL A 32 3.699 -1.241 -1.201 1.00 0.00 C ATOM 475 C VAL A 32 2.320 -1.547 -0.627 1.00 0.00 C ATOM 476 O VAL A 32 2.075 -2.642 -0.120 1.00 0.00 O ATOM 477 CB VAL A 32 3.601 -1.115 -2.735 1.00 0.00 C ATOM 478 CG1 VAL A 32 4.983 -0.928 -3.342 1.00 0.00 C ATOM 479 CG2 VAL A 32 2.912 -2.330 -3.339 1.00 0.00 C ATOM 0 H VAL A 32 4.382 -3.214 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 32 4.047 -0.294 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 32 2.998 -0.236 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.896 -0.841 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.437 -0.022 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.608 -1.787 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.856 -2.216 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.481 -3.228 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.905 -2.418 -2.931 1.00 0.00 H new ATOM 489 N HIS A 33 1.422 -0.570 -0.708 1.00 0.00 N ATOM 490 CA HIS A 33 0.066 -0.736 -0.198 1.00 0.00 C ATOM 491 C HIS A 33 -0.953 -0.277 -1.243 1.00 0.00 C ATOM 492 O HIS A 33 -0.890 0.852 -1.736 1.00 0.00 O ATOM 493 CB HIS A 33 -0.088 0.033 1.127 1.00 0.00 C ATOM 494 CG HIS A 33 -1.298 0.914 1.214 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.504 0.486 1.730 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.478 2.209 0.866 1.00 0.00 C ATOM 497 CE1 HIS A 33 -3.372 1.481 1.694 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.774 2.538 1.176 1.00 0.00 N ATOM 0 H HIS A 33 1.609 0.344 -1.121 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.123 -1.791 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.122 -0.687 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.800 0.646 1.279 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.695 -0.451 2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.739 2.862 0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.397 1.437 2.031 1.00 0.00 H new ATOM 507 N ALA A 34 -1.878 -1.166 -1.592 1.00 0.00 N ATOM 508 CA ALA A 34 -2.893 -0.852 -2.587 1.00 0.00 C ATOM 509 C ALA A 34 -4.221 -0.488 -1.936 1.00 0.00 C ATOM 510 O ALA A 34 -4.653 -1.127 -0.977 1.00 0.00 O ATOM 511 CB ALA A 34 -3.075 -2.021 -3.544 1.00 0.00 C ATOM 0 H ALA A 34 -1.944 -2.106 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.550 0.017 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.837 -1.772 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.132 -2.226 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.386 -2.904 -2.985 1.00 0.00 H new ATOM 517 N ILE A 35 -4.864 0.544 -2.474 1.00 0.00 N ATOM 518 CA ILE A 35 -6.150 1.006 -1.960 1.00 0.00 C ATOM 519 C ILE A 35 -7.272 0.700 -2.945 1.00 0.00 C ATOM 520 O ILE A 35 -7.264 1.182 -4.079 1.00 0.00 O ATOM 521 CB ILE A 35 -6.141 2.520 -1.689 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.897 2.921 -0.897 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.403 2.931 -0.945 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.739 4.419 -0.746 1.00 0.00 C ATOM 0 H ILE A 35 -4.514 1.078 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.321 0.474 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.116 3.041 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.943 2.466 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.014 2.518 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.383 4.005 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.277 2.683 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.454 2.400 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.836 4.634 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.662 4.878 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.605 4.825 -0.223 1.00 0.00 H new ATOM 536 N VAL A 36 -8.239 -0.096 -2.511 1.00 0.00 N ATOM 537 CA VAL A 36 -9.363 -0.447 -3.362 1.00 0.00 C ATOM 538 C VAL A 36 -10.426 0.643 -3.321 1.00 0.00 C ATOM 539 O VAL A 36 -11.016 0.919 -2.275 1.00 0.00 O ATOM 540 CB VAL A 36 -9.981 -1.794 -2.943 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.166 -2.150 -3.831 1.00 0.00 C ATOM 542 CG2 VAL A 36 -8.930 -2.894 -2.979 1.00 0.00 C ATOM 0 H VAL A 36 -8.267 -0.509 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 36 -8.988 -0.542 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.346 -1.699 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.584 -3.105 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.928 -1.375 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.835 -2.225 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.383 -3.840 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.533 -2.985 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.120 -2.646 -2.292 1.00 0.00 H new ATOM 552 N LEU A 37 -10.651 1.269 -4.468 1.00 0.00 N ATOM 553 CA LEU A 37 -11.626 2.342 -4.585 1.00 0.00 C ATOM 554 C LEU A 37 -12.468 2.158 -5.838 1.00 0.00 C ATOM 555 O LEU A 37 -12.028 1.538 -6.802 1.00 0.00 O ATOM 556 CB LEU A 37 -10.915 3.691 -4.638 1.00 0.00 C ATOM 557 CG LEU A 37 -9.595 3.695 -5.412 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.846 3.927 -6.896 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.657 4.749 -4.853 1.00 0.00 C ATOM 0 H LEU A 37 -10.166 1.049 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.279 2.314 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.586 4.421 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.722 4.024 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.122 2.720 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.896 3.927 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.482 3.132 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.340 4.888 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.723 4.739 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.121 5.731 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.452 4.535 -3.804 1.00 0.00 H new ATOM 571 N LYS A 38 -13.679 2.695 -5.821 1.00 0.00 N ATOM 572 CA LYS A 38 -14.573 2.571 -6.964 1.00 0.00 C ATOM 573 C LYS A 38 -14.400 3.729 -7.948 1.00 0.00 C ATOM 574 O LYS A 38 -13.977 4.827 -7.576 1.00 0.00 O ATOM 575 CB LYS A 38 -16.027 2.503 -6.484 1.00 0.00 C ATOM 576 CG LYS A 38 -16.865 1.461 -7.206 1.00 0.00 C ATOM 577 CD LYS A 38 -18.347 1.670 -6.948 1.00 0.00 C ATOM 578 CE LYS A 38 -18.858 0.757 -5.844 1.00 0.00 C ATOM 579 NZ LYS A 38 -18.805 1.414 -4.509 1.00 0.00 N ATOM 0 H LYS A 38 -14.064 3.218 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.317 1.650 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.037 2.287 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.489 3.481 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.669 1.512 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.573 0.464 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.526 2.709 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.906 1.482 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.884 0.463 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.262 -0.156 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.162 0.758 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.822 1.672 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.394 2.271 -4.520 1.00 0.00 H new ATOM 593 N GLU A 39 -14.740 3.467 -9.209 1.00 0.00 N ATOM 594 CA GLU A 39 -14.635 4.466 -10.269 1.00 0.00 C ATOM 595 C GLU A 39 -15.201 5.810 -9.827 1.00 0.00 C ATOM 596 O GLU A 39 -16.387 5.927 -9.522 1.00 0.00 O ATOM 597 CB GLU A 39 -15.369 3.982 -11.522 1.00 0.00 C ATOM 598 CG GLU A 39 -14.742 4.463 -12.820 1.00 0.00 C ATOM 599 CD GLU A 39 -15.272 3.720 -14.030 1.00 0.00 C ATOM 600 OE1 GLU A 39 -14.963 2.518 -14.170 1.00 0.00 O ATOM 601 OE2 GLU A 39 -15.998 4.338 -14.837 1.00 0.00 O ATOM 0 H GLU A 39 -15.093 2.563 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.577 4.602 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.391 2.892 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.404 4.322 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.934 5.529 -12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.661 4.338 -12.766 1.00 0.00 H new ATOM 608 N GLY A 40 -14.343 6.823 -9.797 1.00 0.00 N ATOM 609 CA GLY A 40 -14.773 8.147 -9.397 1.00 0.00 C ATOM 610 C GLY A 40 -14.309 8.521 -8.002 1.00 0.00 C ATOM 611 O GLY A 40 -14.615 9.608 -7.514 1.00 0.00 O ATOM 0 H GLY A 40 -13.356 6.750 -10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.392 8.878 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.861 8.198 -9.439 1.00 0.00 H new ATOM 615 N SER A 41 -13.570 7.623 -7.353 1.00 0.00 N ATOM 616 CA SER A 41 -13.073 7.883 -6.008 1.00 0.00 C ATOM 617 C SER A 41 -12.034 9.000 -6.017 1.00 0.00 C ATOM 618 O SER A 41 -11.870 9.704 -7.014 1.00 0.00 O ATOM 619 CB SER A 41 -12.467 6.611 -5.412 1.00 0.00 C ATOM 620 OG SER A 41 -12.042 6.824 -4.078 1.00 0.00 O ATOM 0 H SER A 41 -13.305 6.715 -7.736 1.00 0.00 H new ATOM 0 HA SER A 41 -13.914 8.200 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.203 5.807 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.621 6.289 -6.019 1.00 0.00 H new ATOM 0 HG SER A 41 -11.065 6.762 -4.032 1.00 0.00 H new ATOM 626 N ALA A 42 -11.332 9.149 -4.900 1.00 0.00 N ATOM 627 CA ALA A 42 -10.300 10.164 -4.767 1.00 0.00 C ATOM 628 C ALA A 42 -8.959 9.597 -5.202 1.00 0.00 C ATOM 629 O ALA A 42 -8.317 8.850 -4.463 1.00 0.00 O ATOM 630 CB ALA A 42 -10.227 10.665 -3.333 1.00 0.00 C ATOM 0 H ALA A 42 -11.462 8.573 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.551 11.008 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.449 11.424 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.187 11.097 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.993 9.833 -2.668 1.00 0.00 H new ATOM 636 N MET A 43 -8.551 9.932 -6.415 1.00 0.00 N ATOM 637 CA MET A 43 -7.299 9.436 -6.949 1.00 0.00 C ATOM 638 C MET A 43 -6.399 10.565 -7.401 1.00 0.00 C ATOM 639 O MET A 43 -6.558 11.111 -8.493 1.00 0.00 O ATOM 640 CB MET A 43 -7.552 8.462 -8.106 1.00 0.00 C ATOM 641 CG MET A 43 -8.838 8.736 -8.870 1.00 0.00 C ATOM 642 SD MET A 43 -8.833 8.028 -10.531 1.00 0.00 S ATOM 643 CE MET A 43 -7.185 8.456 -11.087 1.00 0.00 C ATOM 0 H MET A 43 -9.069 10.544 -7.045 1.00 0.00 H new ATOM 0 HA MET A 43 -6.789 8.904 -6.146 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.712 8.510 -8.799 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.584 7.446 -7.713 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.681 8.330 -8.310 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.991 9.813 -8.940 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.146 8.414 -12.176 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.939 9.464 -10.753 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.466 7.750 -10.671 1.00 0.00 H new ATOM 653 N THR A 44 -5.442 10.901 -6.549 1.00 0.00 N ATOM 654 CA THR A 44 -4.500 11.956 -6.854 1.00 0.00 C ATOM 655 C THR A 44 -3.489 11.472 -7.885 1.00 0.00 C ATOM 656 O THR A 44 -3.254 10.265 -8.015 1.00 0.00 O ATOM 657 CB THR A 44 -3.781 12.420 -5.586 1.00 0.00 C ATOM 658 OG1 THR A 44 -2.861 11.439 -5.143 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.721 12.719 -4.439 1.00 0.00 C ATOM 0 H THR A 44 -5.301 10.456 -5.642 1.00 0.00 H new ATOM 0 HA THR A 44 -5.049 12.802 -7.267 1.00 0.00 H new ATOM 0 HB THR A 44 -3.271 13.342 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.529 11.680 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.145 13.043 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.412 13.510 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.284 11.820 -4.186 1.00 0.00 H new ATOM 667 N LYS A 45 -2.906 12.416 -8.615 1.00 0.00 N ATOM 668 CA LYS A 45 -1.921 12.096 -9.639 1.00 0.00 C ATOM 669 C LYS A 45 -0.548 11.862 -9.023 1.00 0.00 C ATOM 670 O LYS A 45 0.288 11.161 -9.595 1.00 0.00 O ATOM 671 CB LYS A 45 -1.842 13.215 -10.668 1.00 0.00 C ATOM 672 CG LYS A 45 -2.832 13.064 -11.812 1.00 0.00 C ATOM 673 CD LYS A 45 -4.160 13.738 -11.495 1.00 0.00 C ATOM 674 CE LYS A 45 -4.474 14.855 -12.479 1.00 0.00 C ATOM 675 NZ LYS A 45 -4.851 16.117 -11.785 1.00 0.00 N ATOM 0 H LYS A 45 -3.100 13.412 -8.515 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.239 11.178 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.019 14.168 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.832 13.251 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.410 13.498 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.999 12.006 -12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.959 12.997 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.130 14.142 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.606 15.035 -13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.288 14.544 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.057 16.853 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.695 15.953 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.065 16.428 -11.180 1.00 0.00 H new ATOM 689 N ASP A 46 -0.321 12.457 -7.852 1.00 0.00 N ATOM 690 CA ASP A 46 0.952 12.316 -7.149 1.00 0.00 C ATOM 691 C ASP A 46 1.425 10.867 -7.164 1.00 0.00 C ATOM 692 O ASP A 46 0.621 9.941 -7.049 1.00 0.00 O ATOM 693 CB ASP A 46 0.818 12.806 -5.707 1.00 0.00 C ATOM 694 CG ASP A 46 1.982 13.682 -5.282 1.00 0.00 C ATOM 695 OD1 ASP A 46 3.068 13.132 -5.006 1.00 0.00 O ATOM 696 OD2 ASP A 46 1.806 14.917 -5.230 1.00 0.00 O ATOM 0 H ASP A 46 -1.004 13.042 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 46 1.693 12.926 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.111 13.365 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.751 11.947 -5.039 1.00 0.00 H new ATOM 701 N PHE A 47 2.728 10.674 -7.319 1.00 0.00 N ATOM 702 CA PHE A 47 3.297 9.335 -7.365 1.00 0.00 C ATOM 703 C PHE A 47 3.690 8.838 -5.977 1.00 0.00 C ATOM 704 O PHE A 47 4.317 9.557 -5.199 1.00 0.00 O ATOM 705 CB PHE A 47 4.508 9.305 -8.291 1.00 0.00 C ATOM 706 CG PHE A 47 5.126 7.944 -8.410 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.570 6.992 -9.246 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.245 7.610 -7.668 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.118 5.731 -9.338 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.802 6.351 -7.760 1.00 0.00 C ATOM 711 CZ PHE A 47 6.235 5.408 -8.595 1.00 0.00 C ATOM 0 H PHE A 47 3.409 11.427 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 47 2.528 8.667 -7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.209 9.649 -9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.257 10.006 -7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.698 7.240 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.687 8.343 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.673 4.995 -9.992 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.679 6.103 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.665 4.420 -8.666 1.00 0.00 H new ATOM 721 N ARG A 48 3.315 7.597 -5.685 1.00 0.00 N ATOM 722 CA ARG A 48 3.617 6.971 -4.402 1.00 0.00 C ATOM 723 C ARG A 48 3.701 5.454 -4.560 1.00 0.00 C ATOM 724 O ARG A 48 2.699 4.794 -4.840 1.00 0.00 O ATOM 725 CB ARG A 48 2.548 7.328 -3.366 1.00 0.00 C ATOM 726 CG ARG A 48 2.804 8.644 -2.649 1.00 0.00 C ATOM 727 CD ARG A 48 1.553 9.147 -1.947 1.00 0.00 C ATOM 728 NE ARG A 48 1.582 8.864 -0.513 1.00 0.00 N ATOM 729 CZ ARG A 48 0.868 9.532 0.392 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.063 10.519 0.018 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.960 9.210 1.674 1.00 0.00 N ATOM 0 H ARG A 48 2.796 6.999 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 48 4.580 7.346 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.578 7.377 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.489 6.528 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.604 8.513 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.145 9.390 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.456 10.221 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.674 8.680 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 48 2.185 8.110 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.012 10.770 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.481 11.026 0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.577 8.452 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.414 9.720 2.368 1.00 0.00 H new ATOM 745 N CYS A 49 4.904 4.911 -4.400 1.00 0.00 N ATOM 746 CA CYS A 49 5.119 3.474 -4.535 1.00 0.00 C ATOM 747 C CYS A 49 4.266 2.684 -3.548 1.00 0.00 C ATOM 748 O CYS A 49 3.774 1.605 -3.866 1.00 0.00 O ATOM 749 CB CYS A 49 6.594 3.131 -4.317 1.00 0.00 C ATOM 750 SG CYS A 49 7.728 3.898 -5.519 1.00 0.00 S ATOM 0 H CYS A 49 5.745 5.444 -4.177 1.00 0.00 H new ATOM 0 HA CYS A 49 4.824 3.196 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.883 3.442 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.714 2.049 -4.362 1.00 0.00 H new ATOM 755 N ASP A 50 4.102 3.217 -2.346 1.00 0.00 N ATOM 756 CA ASP A 50 3.320 2.539 -1.320 1.00 0.00 C ATOM 757 C ASP A 50 1.822 2.736 -1.524 1.00 0.00 C ATOM 758 O ASP A 50 1.017 2.203 -0.761 1.00 0.00 O ATOM 759 CB ASP A 50 3.719 3.045 0.066 1.00 0.00 C ATOM 760 CG ASP A 50 3.465 4.531 0.236 1.00 0.00 C ATOM 761 OD1 ASP A 50 3.600 5.275 -0.759 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.129 4.950 1.363 1.00 0.00 O ATOM 0 H ASP A 50 4.497 4.112 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 50 3.533 1.473 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.162 2.495 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.776 2.838 0.235 1.00 0.00 H new ATOM 767 N ARG A 51 1.441 3.494 -2.551 1.00 0.00 N ATOM 768 CA ARG A 51 0.032 3.744 -2.816 1.00 0.00 C ATOM 769 C ARG A 51 -0.358 3.311 -4.220 1.00 0.00 C ATOM 770 O ARG A 51 0.015 3.947 -5.206 1.00 0.00 O ATOM 771 CB ARG A 51 -0.292 5.226 -2.626 1.00 0.00 C ATOM 772 CG ARG A 51 -1.783 5.517 -2.575 1.00 0.00 C ATOM 773 CD ARG A 51 -2.076 6.983 -2.855 1.00 0.00 C ATOM 774 NE ARG A 51 -1.946 7.309 -4.273 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.561 8.500 -4.731 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.268 9.485 -3.889 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.473 8.707 -6.038 1.00 0.00 N ATOM 0 H ARG A 51 2.084 3.940 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.544 3.153 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.171 5.576 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.154 5.795 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.301 4.896 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.174 5.248 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.086 7.221 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.393 7.605 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.163 6.581 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.337 9.333 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.974 10.393 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.700 7.956 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.179 9.617 -6.391 1.00 0.00 H new ATOM 791 N VAL A 52 -1.121 2.230 -4.301 1.00 0.00 N ATOM 792 CA VAL A 52 -1.586 1.716 -5.580 1.00 0.00 C ATOM 793 C VAL A 52 -3.096 1.899 -5.693 1.00 0.00 C ATOM 794 O VAL A 52 -3.849 1.375 -4.875 1.00 0.00 O ATOM 795 CB VAL A 52 -1.230 0.223 -5.754 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.763 -0.311 -7.077 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.276 0.018 -5.655 1.00 0.00 C ATOM 0 H VAL A 52 -1.432 1.691 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.085 2.278 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.706 -0.338 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.500 -1.364 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.847 -0.204 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.324 0.252 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.508 -1.040 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.774 0.593 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.625 0.353 -4.678 1.00 0.00 H new ATOM 807 N TRP A 53 -3.536 2.647 -6.701 1.00 0.00 N ATOM 808 CA TRP A 53 -4.965 2.899 -6.888 1.00 0.00 C ATOM 809 C TRP A 53 -5.638 1.693 -7.534 1.00 0.00 C ATOM 810 O TRP A 53 -5.218 1.229 -8.594 1.00 0.00 O ATOM 811 CB TRP A 53 -5.197 4.130 -7.786 1.00 0.00 C ATOM 812 CG TRP A 53 -4.913 5.477 -7.169 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.340 6.553 -7.791 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.209 5.904 -5.837 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.276 7.622 -6.929 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.794 7.243 -5.719 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.781 5.280 -4.738 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.939 7.965 -4.537 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.926 5.993 -3.563 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.505 7.325 -3.469 1.00 0.00 C ATOM 0 H TRP A 53 -2.932 3.086 -7.396 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.396 3.083 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.576 4.025 -8.676 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.235 4.119 -8.118 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.989 6.561 -8.812 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.904 8.545 -7.153 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.108 4.253 -4.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.616 8.993 -4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.371 5.515 -2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.629 7.856 -2.537 1.00 0.00 H new ATOM 831 N VAL A 54 -6.684 1.186 -6.884 1.00 0.00 N ATOM 832 CA VAL A 54 -7.413 0.037 -7.392 1.00 0.00 C ATOM 833 C VAL A 54 -8.865 0.414 -7.682 1.00 0.00 C ATOM 834 O VAL A 54 -9.733 0.282 -6.821 1.00 0.00 O ATOM 835 CB VAL A 54 -7.360 -1.125 -6.378 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.420 -2.176 -6.683 1.00 0.00 C ATOM 837 CG2 VAL A 54 -5.975 -1.749 -6.361 1.00 0.00 C ATOM 0 H VAL A 54 -7.042 1.557 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.942 -0.287 -8.320 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.572 -0.719 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.356 -2.981 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.409 -1.720 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.255 -2.580 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.953 -2.567 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.736 -2.132 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.240 -0.996 -6.077 1.00 0.00 H new ATOM 847 N ILE A 55 -9.116 0.897 -8.895 1.00 0.00 N ATOM 848 CA ILE A 55 -10.457 1.309 -9.298 1.00 0.00 C ATOM 849 C ILE A 55 -11.318 0.121 -9.694 1.00 0.00 C ATOM 850 O ILE A 55 -10.943 -0.684 -10.547 1.00 0.00 O ATOM 851 CB ILE A 55 -10.405 2.311 -10.468 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.370 3.404 -10.186 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.777 2.921 -10.707 1.00 0.00 C ATOM 854 CD1 ILE A 55 -9.100 4.302 -11.374 1.00 0.00 C ATOM 0 H ILE A 55 -8.406 1.013 -9.618 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.907 1.792 -8.431 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.106 1.777 -11.370 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.716 4.014 -9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.436 2.937 -9.874 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.722 3.626 -11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.489 2.132 -10.948 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.105 3.443 -9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.358 5.052 -11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.724 3.704 -12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.024 4.798 -11.673 1.00 0.00 H new ATOM 866 N VAL A 56 -12.480 0.025 -9.059 1.00 0.00 N ATOM 867 CA VAL A 56 -13.410 -1.055 -9.333 1.00 0.00 C ATOM 868 C VAL A 56 -14.785 -0.522 -9.723 1.00 0.00 C ATOM 869 O VAL A 56 -15.092 0.650 -9.505 1.00 0.00 O ATOM 870 CB VAL A 56 -13.559 -1.992 -8.117 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.222 -2.618 -7.753 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.142 -1.238 -6.931 1.00 0.00 C ATOM 0 H VAL A 56 -12.798 0.685 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.996 -1.618 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.247 -2.794 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.350 -3.275 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.848 -3.196 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.508 -1.833 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.240 -1.915 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.481 -0.414 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.123 -0.845 -7.197 1.00 0.00 H new ATOM 882 N ASN A 57 -15.609 -1.394 -10.295 1.00 0.00 N ATOM 883 CA ASN A 57 -16.952 -1.014 -10.714 1.00 0.00 C ATOM 884 C ASN A 57 -17.944 -1.106 -9.558 1.00 0.00 C ATOM 885 O ASN A 57 -17.570 -1.403 -8.424 1.00 0.00 O ATOM 886 CB ASN A 57 -17.417 -1.890 -11.881 1.00 0.00 C ATOM 887 CG ASN A 57 -17.570 -3.351 -11.497 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.663 -3.691 -10.318 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.598 -4.222 -12.499 1.00 0.00 N ATOM 0 H ASN A 57 -15.370 -2.368 -10.479 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.915 0.024 -11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.371 -1.515 -12.253 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.701 -1.807 -12.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.700 -5.218 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.517 -3.895 -13.462 1.00 0.00 H new ATOM 896 N ASP A 58 -19.212 -0.835 -9.858 1.00 0.00 N ATOM 897 CA ASP A 58 -20.271 -0.868 -8.853 1.00 0.00 C ATOM 898 C ASP A 58 -20.316 -2.207 -8.121 1.00 0.00 C ATOM 899 O ASP A 58 -20.789 -2.284 -6.987 1.00 0.00 O ATOM 900 CB ASP A 58 -21.626 -0.593 -9.509 1.00 0.00 C ATOM 901 CG ASP A 58 -21.854 -1.441 -10.748 1.00 0.00 C ATOM 902 OD1 ASP A 58 -20.995 -2.297 -11.048 1.00 0.00 O ATOM 903 OD2 ASP A 58 -22.890 -1.245 -11.418 1.00 0.00 O ATOM 0 H ASP A 58 -19.532 -0.589 -10.795 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.053 -0.092 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.421 -0.786 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.689 0.462 -9.778 1.00 0.00 H new ATOM 908 N HIS A 59 -19.835 -3.260 -8.772 1.00 0.00 N ATOM 909 CA HIS A 59 -19.840 -4.589 -8.171 1.00 0.00 C ATOM 910 C HIS A 59 -18.574 -4.835 -7.356 1.00 0.00 C ATOM 911 O HIS A 59 -18.558 -5.682 -6.463 1.00 0.00 O ATOM 912 CB HIS A 59 -19.973 -5.662 -9.253 1.00 0.00 C ATOM 913 CG HIS A 59 -20.197 -7.035 -8.700 1.00 0.00 C ATOM 914 ND1 HIS A 59 -19.256 -8.040 -8.774 1.00 0.00 N ATOM 915 CD2 HIS A 59 -21.261 -7.566 -8.052 1.00 0.00 C ATOM 916 CE1 HIS A 59 -19.731 -9.129 -8.196 1.00 0.00 C ATOM 917 NE2 HIS A 59 -20.946 -8.868 -7.749 1.00 0.00 N ATOM 0 H HIS A 59 -19.439 -3.220 -9.711 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.697 -4.645 -7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.802 -5.403 -9.912 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.070 -5.666 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.186 -7.060 -7.817 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.213 -10.073 -8.105 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -21.552 -9.526 -7.259 1.00 0.00 H new ATOM 926 N GLY A 60 -17.515 -4.095 -7.668 1.00 0.00 N ATOM 927 CA GLY A 60 -16.265 -4.261 -6.952 1.00 0.00 C ATOM 928 C GLY A 60 -15.205 -4.938 -7.798 1.00 0.00 C ATOM 929 O GLY A 60 -14.255 -5.517 -7.270 1.00 0.00 O ATOM 0 H GLY A 60 -17.500 -3.386 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.901 -3.286 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.440 -4.850 -6.052 1.00 0.00 H new ATOM 933 N VAL A 61 -15.363 -4.855 -9.118 1.00 0.00 N ATOM 934 CA VAL A 61 -14.411 -5.454 -10.049 1.00 0.00 C ATOM 935 C VAL A 61 -13.405 -4.408 -10.514 1.00 0.00 C ATOM 936 O VAL A 61 -13.782 -3.285 -10.828 1.00 0.00 O ATOM 937 CB VAL A 61 -15.135 -6.049 -11.275 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.142 -6.710 -12.219 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.205 -7.039 -10.835 1.00 0.00 C ATOM 0 H VAL A 61 -16.144 -4.377 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.890 -6.257 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.622 -5.236 -11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.674 -7.123 -13.076 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.419 -5.970 -12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.621 -7.511 -11.696 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.705 -7.448 -11.713 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.742 -7.848 -10.271 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.935 -6.530 -10.206 1.00 0.00 H new ATOM 949 N VAL A 62 -12.126 -4.767 -10.542 1.00 0.00 N ATOM 950 CA VAL A 62 -11.090 -3.832 -10.967 1.00 0.00 C ATOM 951 C VAL A 62 -11.186 -3.561 -12.465 1.00 0.00 C ATOM 952 O VAL A 62 -10.943 -4.447 -13.285 1.00 0.00 O ATOM 953 CB VAL A 62 -9.676 -4.350 -10.633 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.615 -3.356 -11.084 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.548 -4.629 -9.145 1.00 0.00 C ATOM 0 H VAL A 62 -11.783 -5.691 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.256 -2.906 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.519 -5.283 -11.174 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.626 -3.743 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.689 -3.208 -12.161 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.769 -2.404 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.544 -4.994 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.729 -3.711 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.279 -5.383 -8.852 1.00 0.00 H new ATOM 965 N THR A 63 -11.543 -2.329 -12.812 1.00 0.00 N ATOM 966 CA THR A 63 -11.674 -1.937 -14.209 1.00 0.00 C ATOM 967 C THR A 63 -10.411 -1.239 -14.702 1.00 0.00 C ATOM 968 O THR A 63 -10.067 -1.317 -15.881 1.00 0.00 O ATOM 969 CB THR A 63 -12.880 -1.019 -14.394 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.694 0.201 -13.698 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.178 -1.630 -13.913 1.00 0.00 C ATOM 0 H THR A 63 -11.747 -1.585 -12.144 1.00 0.00 H new ATOM 0 HA THR A 63 -11.821 -2.842 -14.798 1.00 0.00 H new ATOM 0 HB THR A 63 -12.953 -0.853 -15.469 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.426 0.816 -13.914 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.994 -0.925 -14.074 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.376 -2.547 -14.468 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.101 -1.859 -12.850 1.00 0.00 H new ATOM 979 N SER A 64 -9.725 -0.555 -13.793 1.00 0.00 N ATOM 980 CA SER A 64 -8.503 0.157 -14.143 1.00 0.00 C ATOM 981 C SER A 64 -7.268 -0.634 -13.728 1.00 0.00 C ATOM 982 O SER A 64 -7.283 -1.349 -12.728 1.00 0.00 O ATOM 983 CB SER A 64 -8.482 1.538 -13.484 1.00 0.00 C ATOM 984 OG SER A 64 -7.916 2.508 -14.350 1.00 0.00 O ATOM 0 H SER A 64 -9.994 -0.479 -12.812 1.00 0.00 H new ATOM 0 HA SER A 64 -8.486 0.278 -15.226 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.497 1.832 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.909 1.494 -12.558 1.00 0.00 H new ATOM 0 HG SER A 64 -7.347 3.116 -13.833 1.00 0.00 H new ATOM 990 N VAL A 65 -6.201 -0.493 -14.507 1.00 0.00 N ATOM 991 CA VAL A 65 -4.944 -1.185 -14.239 1.00 0.00 C ATOM 992 C VAL A 65 -4.315 -0.719 -12.929 1.00 0.00 C ATOM 993 O VAL A 65 -3.711 0.352 -12.873 1.00 0.00 O ATOM 994 CB VAL A 65 -3.934 -0.946 -15.369 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.712 -1.835 -15.201 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.583 -1.157 -16.732 1.00 0.00 C ATOM 0 H VAL A 65 -6.182 0.100 -15.337 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.182 -2.246 -14.169 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.603 0.091 -15.313 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.011 -1.647 -16.014 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.230 -1.615 -14.248 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.018 -2.881 -15.220 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.847 -0.982 -17.517 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.954 -2.179 -16.804 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.413 -0.461 -16.851 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.419 -1.525 -11.857 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.831 -1.178 -10.563 1.00 0.00 C ATOM 1008 C PRO A 66 -2.310 -1.116 -10.638 1.00 0.00 C ATOM 1009 O PRO A 66 -1.644 -2.139 -10.772 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.281 -2.319 -9.646 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.553 -3.457 -10.565 1.00 0.00 C ATOM 1012 CD PRO A 66 -5.082 -2.840 -11.827 1.00 0.00 C ATOM 0 HA PRO A 66 -4.147 -0.195 -10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.508 -2.572 -8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.172 -2.045 -9.081 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.646 -4.029 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.278 -4.146 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.832 -3.438 -12.704 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.168 -2.744 -11.805 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.768 0.092 -10.567 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.331 0.288 -10.636 1.00 0.00 C ATOM 1021 C HIS A 67 0.137 1.322 -9.620 1.00 0.00 C ATOM 1022 O HIS A 67 -0.583 2.267 -9.294 1.00 0.00 O ATOM 1023 CB HIS A 67 0.084 0.720 -12.045 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.474 2.049 -12.463 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -1.406 2.847 -11.886 1.00 0.00 N flip ATOM 1026 CD2 HIS A 67 -0.070 2.705 -13.608 1.00 0.00 C flip ATOM 1027 CE1 HIS A 67 -1.545 3.955 -12.685 1.00 0.00 C flip ATOM 1028 NE2 HIS A 67 -0.728 3.846 -13.716 1.00 0.00 N flip ATOM 0 H HIS A 67 -2.306 0.952 -10.461 1.00 0.00 H new ATOM 0 HA HIS A 67 0.143 -0.664 -10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.172 0.762 -12.096 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.240 -0.039 -12.757 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.669 2.342 -14.307 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.215 4.782 -12.500 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.622 4.527 -14.468 1.00 0.00 H new ATOM 1037 N ILE A 68 1.358 1.135 -9.138 1.00 0.00 N ATOM 1038 CA ILE A 68 1.967 2.040 -8.174 1.00 0.00 C ATOM 1039 C ILE A 68 1.725 3.496 -8.575 1.00 0.00 C ATOM 1040 O ILE A 68 2.215 3.960 -9.604 1.00 0.00 O ATOM 1041 CB ILE A 68 3.485 1.739 -8.052 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.776 1.049 -6.722 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.335 2.995 -8.195 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.210 0.586 -6.583 1.00 0.00 C ATOM 0 H ILE A 68 1.954 0.351 -9.405 1.00 0.00 H new ATOM 0 HA ILE A 68 1.505 1.883 -7.200 1.00 0.00 H new ATOM 0 HB ILE A 68 3.754 1.074 -8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.543 1.735 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.113 0.190 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.389 2.733 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.157 3.445 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.068 3.706 -7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.345 0.105 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.441 -0.125 -7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.878 1.444 -6.658 1.00 0.00 H new ATOM 1056 N THR A 69 0.944 4.198 -7.763 1.00 0.00 N ATOM 1057 CA THR A 69 0.618 5.592 -8.036 1.00 0.00 C ATOM 1058 C THR A 69 0.039 6.266 -6.796 1.00 0.00 C ATOM 1059 O THR A 69 0.785 7.007 -6.125 1.00 0.00 O ATOM 1060 CB THR A 69 -0.376 5.679 -9.200 1.00 0.00 C ATOM 1061 OG1 THR A 69 0.275 5.429 -10.434 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.071 7.021 -9.314 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.157 6.047 -6.509 1.00 0.00 O ATOM 0 H THR A 69 0.525 3.825 -6.911 1.00 0.00 H new ATOM 0 HA THR A 69 1.535 6.114 -8.311 1.00 0.00 H new ATOM 0 HB THR A 69 -1.129 4.922 -8.983 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.217 5.216 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.758 7.004 -10.160 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.628 7.221 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.328 7.804 -9.465 1.00 0.00 H new TER 1071 THR A 69