USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -168:sc= -0.0286 (180deg=-0.252) USER MOD Single : A 4 ASN : amide:sc= -0.0505 X(o=-0.05,f=-0.058) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0.598 (180deg=0.464) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc=-0.00506 (180deg=-0.0906) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 28:sc= 0.0923 USER MOD Single : A 51 THR OG1 : rot 174:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.575 K(o=0.58,f=-5.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 18:sc= -0.905 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0.698 K(o=0.7,f=-2.2!) USER MOD Single : A 71 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.280 -4.420 -0.934 1.00 0.00 N ATOM 2 CA MET A 1 -14.554 -4.390 -2.225 1.00 0.00 C ATOM 3 C MET A 1 -13.148 -3.845 -2.029 1.00 0.00 C ATOM 4 O MET A 1 -12.170 -4.431 -2.497 1.00 0.00 O ATOM 5 CB MET A 1 -15.312 -3.537 -3.246 1.00 0.00 C ATOM 6 CG MET A 1 -14.659 -3.513 -4.618 1.00 0.00 C ATOM 7 SD MET A 1 -15.617 -2.593 -5.837 1.00 0.00 S ATOM 8 CE MET A 1 -14.575 -2.790 -7.281 1.00 0.00 C ATOM 0 H1 MET A 1 -16.239 -4.794 -1.083 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.771 -5.030 -0.263 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.341 -3.456 -0.548 1.00 0.00 H new ATOM 0 HA MET A 1 -14.485 -5.409 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.329 -3.918 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.388 -2.517 -2.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.667 -3.070 -4.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.523 -4.536 -4.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.028 -2.276 -8.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.592 -2.364 -7.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.471 -3.850 -7.512 1.00 0.00 H new ATOM 20 N ALA A 2 -13.047 -2.721 -1.336 1.00 0.00 N ATOM 21 CA ALA A 2 -11.755 -2.151 -1.009 1.00 0.00 C ATOM 22 C ALA A 2 -11.247 -2.759 0.289 1.00 0.00 C ATOM 23 O ALA A 2 -11.849 -2.575 1.348 1.00 0.00 O ATOM 24 CB ALA A 2 -11.849 -0.636 -0.897 1.00 0.00 C ATOM 0 H ALA A 2 -13.845 -2.188 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.050 -2.381 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.869 -0.228 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.187 -0.221 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.559 -0.372 -0.113 1.00 0.00 H new ATOM 30 N MET A 3 -10.158 -3.505 0.204 1.00 0.00 N ATOM 31 CA MET A 3 -9.605 -4.163 1.377 1.00 0.00 C ATOM 32 C MET A 3 -8.525 -3.295 1.999 1.00 0.00 C ATOM 33 O MET A 3 -7.906 -2.474 1.317 1.00 0.00 O ATOM 34 CB MET A 3 -9.033 -5.541 1.021 1.00 0.00 C ATOM 35 CG MET A 3 -10.060 -6.499 0.441 1.00 0.00 C ATOM 36 SD MET A 3 -9.440 -8.190 0.275 1.00 0.00 S ATOM 37 CE MET A 3 -8.076 -7.957 -0.861 1.00 0.00 C ATOM 0 H MET A 3 -9.641 -3.670 -0.660 1.00 0.00 H new ATOM 0 HA MET A 3 -10.410 -4.307 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.223 -5.413 0.303 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.599 -5.986 1.916 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.944 -6.504 1.078 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.374 -6.136 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.734 -8.927 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.405 -7.351 -1.705 1.00 0.00 H new ATOM 0 HE3 MET A 3 -7.258 -7.451 -0.348 1.00 0.00 H new ATOM 47 N ASN A 4 -8.316 -3.463 3.291 1.00 0.00 N ATOM 48 CA ASN A 4 -7.294 -2.711 3.991 1.00 0.00 C ATOM 49 C ASN A 4 -6.119 -3.605 4.351 1.00 0.00 C ATOM 50 O ASN A 4 -6.293 -4.759 4.735 1.00 0.00 O ATOM 51 CB ASN A 4 -7.857 -2.035 5.249 1.00 0.00 C ATOM 52 CG ASN A 4 -8.647 -2.976 6.140 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.863 -3.098 6.003 1.00 0.00 O ATOM 54 ND2 ASN A 4 -7.969 -3.635 7.066 1.00 0.00 N ATOM 0 H ASN A 4 -8.840 -4.113 3.876 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.943 -1.928 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.034 -1.610 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.499 -1.206 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.455 -4.271 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.960 -3.507 7.148 1.00 0.00 H new ATOM 61 N GLY A 5 -4.924 -3.066 4.207 1.00 0.00 N ATOM 62 CA GLY A 5 -3.730 -3.808 4.554 1.00 0.00 C ATOM 63 C GLY A 5 -2.794 -2.982 5.399 1.00 0.00 C ATOM 64 O GLY A 5 -2.960 -1.768 5.497 1.00 0.00 O ATOM 0 H GLY A 5 -4.755 -2.124 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.007 -4.713 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.219 -4.123 3.644 1.00 0.00 H new ATOM 68 N THR A 6 -1.810 -3.623 6.008 1.00 0.00 N ATOM 69 CA THR A 6 -0.861 -2.915 6.849 1.00 0.00 C ATOM 70 C THR A 6 0.517 -2.853 6.199 1.00 0.00 C ATOM 71 O THR A 6 0.984 -3.827 5.605 1.00 0.00 O ATOM 72 CB THR A 6 -0.754 -3.551 8.251 1.00 0.00 C ATOM 73 OG1 THR A 6 -0.592 -4.971 8.144 1.00 0.00 O ATOM 74 CG2 THR A 6 -1.989 -3.237 9.086 1.00 0.00 C ATOM 0 H THR A 6 -1.648 -4.628 5.936 1.00 0.00 H new ATOM 0 HA THR A 6 -1.239 -1.899 6.964 1.00 0.00 H new ATOM 0 HB THR A 6 0.119 -3.127 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.524 -5.361 9.040 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.890 -3.696 10.070 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.088 -2.157 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.875 -3.633 8.589 1.00 0.00 H new ATOM 82 N ILE A 7 1.144 -1.689 6.296 1.00 0.00 N ATOM 83 CA ILE A 7 2.477 -1.476 5.753 1.00 0.00 C ATOM 84 C ILE A 7 3.493 -2.365 6.467 1.00 0.00 C ATOM 85 O ILE A 7 3.713 -2.216 7.675 1.00 0.00 O ATOM 86 CB ILE A 7 2.915 -0.004 5.925 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.889 0.951 5.300 1.00 0.00 C ATOM 88 CG2 ILE A 7 4.294 0.221 5.320 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.862 0.923 3.789 1.00 0.00 C ATOM 0 H ILE A 7 0.744 -0.869 6.752 1.00 0.00 H new ATOM 0 HA ILE A 7 2.441 -1.726 4.693 1.00 0.00 H new ATOM 0 HB ILE A 7 2.969 0.209 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.897 0.698 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.106 1.967 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.583 1.264 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.019 -0.423 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.268 -0.017 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.111 1.625 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.841 1.206 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.614 -0.082 3.448 1.00 0.00 H new ATOM 101 N THR A 8 4.099 -3.290 5.734 1.00 0.00 N ATOM 102 CA THR A 8 5.133 -4.135 6.294 1.00 0.00 C ATOM 103 C THR A 8 6.485 -3.778 5.691 1.00 0.00 C ATOM 104 O THR A 8 7.473 -3.605 6.402 1.00 0.00 O ATOM 105 CB THR A 8 4.825 -5.622 6.051 1.00 0.00 C ATOM 106 OG1 THR A 8 4.536 -5.854 4.666 1.00 0.00 O ATOM 107 CG2 THR A 8 3.651 -6.077 6.904 1.00 0.00 C ATOM 0 H THR A 8 3.889 -3.470 4.752 1.00 0.00 H new ATOM 0 HA THR A 8 5.163 -3.965 7.370 1.00 0.00 H new ATOM 0 HB THR A 8 5.706 -6.199 6.333 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.501 -6.819 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.451 -7.132 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.891 -5.936 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.768 -5.490 6.651 1.00 0.00 H new ATOM 115 N THR A 9 6.513 -3.652 4.375 1.00 0.00 N ATOM 116 CA THR A 9 7.712 -3.247 3.664 1.00 0.00 C ATOM 117 C THR A 9 7.433 -1.992 2.845 1.00 0.00 C ATOM 118 O THR A 9 6.493 -1.965 2.056 1.00 0.00 O ATOM 119 CB THR A 9 8.203 -4.367 2.724 1.00 0.00 C ATOM 120 OG1 THR A 9 8.362 -5.588 3.463 1.00 0.00 O ATOM 121 CG2 THR A 9 9.522 -3.989 2.066 1.00 0.00 C ATOM 0 H THR A 9 5.709 -3.827 3.772 1.00 0.00 H new ATOM 0 HA THR A 9 8.488 -3.043 4.402 1.00 0.00 H new ATOM 0 HB THR A 9 7.457 -4.508 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.672 -6.297 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.845 -4.796 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.390 -3.077 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.277 -3.822 2.834 1.00 0.00 H new ATOM 129 N TRP A 10 8.230 -0.954 3.039 1.00 0.00 N ATOM 130 CA TRP A 10 8.060 0.281 2.289 1.00 0.00 C ATOM 131 C TRP A 10 9.366 1.059 2.237 1.00 0.00 C ATOM 132 O TRP A 10 10.046 1.214 3.251 1.00 0.00 O ATOM 133 CB TRP A 10 6.954 1.143 2.914 1.00 0.00 C ATOM 134 CG TRP A 10 6.759 2.463 2.227 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.117 3.692 2.699 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.161 2.687 0.943 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.783 4.666 1.791 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.196 4.075 0.703 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.604 1.849 -0.027 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.694 4.641 -0.467 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.106 2.412 -1.187 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.155 3.796 -1.399 1.00 0.00 C ATOM 0 H TRP A 10 9.000 -0.941 3.708 1.00 0.00 H new ATOM 0 HA TRP A 10 7.768 0.024 1.271 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.016 0.589 2.890 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.193 1.321 3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.595 3.873 3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.945 5.666 1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.563 0.781 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.729 5.708 -0.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.672 1.774 -1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.759 4.205 -2.317 1.00 0.00 H new ATOM 153 N PHE A 11 9.715 1.525 1.046 1.00 0.00 N ATOM 154 CA PHE A 11 10.898 2.346 0.858 1.00 0.00 C ATOM 155 C PHE A 11 10.497 3.667 0.211 1.00 0.00 C ATOM 156 O PHE A 11 10.024 3.693 -0.927 1.00 0.00 O ATOM 157 CB PHE A 11 11.928 1.615 -0.006 1.00 0.00 C ATOM 158 CG PHE A 11 12.377 0.302 0.571 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.275 0.264 1.625 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.900 -0.894 0.058 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.688 -0.941 2.158 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.311 -2.102 0.588 1.00 0.00 C ATOM 163 CZ PHE A 11 13.206 -2.125 1.639 1.00 0.00 C ATOM 0 H PHE A 11 9.189 1.345 0.190 1.00 0.00 H new ATOM 0 HA PHE A 11 11.354 2.545 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.502 1.441 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.797 2.258 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.657 1.188 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.200 -0.882 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.388 -0.957 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.932 -3.028 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.528 -3.068 2.054 1.00 0.00 H new ATOM 173 N LYS A 12 10.693 4.755 0.945 1.00 0.00 N ATOM 174 CA LYS A 12 10.186 6.064 0.547 1.00 0.00 C ATOM 175 C LYS A 12 10.832 6.558 -0.747 1.00 0.00 C ATOM 176 O LYS A 12 10.131 6.930 -1.689 1.00 0.00 O ATOM 177 CB LYS A 12 10.395 7.075 1.687 1.00 0.00 C ATOM 178 CG LYS A 12 9.977 8.502 1.348 1.00 0.00 C ATOM 179 CD LYS A 12 11.152 9.317 0.832 1.00 0.00 C ATOM 180 CE LYS A 12 10.701 10.628 0.219 1.00 0.00 C ATOM 181 NZ LYS A 12 11.853 11.434 -0.255 1.00 0.00 N ATOM 0 H LYS A 12 11.204 4.757 1.828 1.00 0.00 H new ATOM 0 HA LYS A 12 9.118 5.966 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.832 6.742 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.448 7.075 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.188 8.483 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.561 8.981 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.843 9.517 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.698 8.737 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.028 10.428 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.135 11.199 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.506 12.248 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.399 11.774 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.463 10.846 -0.858 1.00 0.00 H new ATOM 195 N ASP A 13 12.156 6.554 -0.803 1.00 0.00 N ATOM 196 CA ASP A 13 12.863 7.095 -1.955 1.00 0.00 C ATOM 197 C ASP A 13 12.938 6.078 -3.084 1.00 0.00 C ATOM 198 O ASP A 13 13.369 6.391 -4.192 1.00 0.00 O ATOM 199 CB ASP A 13 14.260 7.561 -1.560 1.00 0.00 C ATOM 200 CG ASP A 13 14.231 8.869 -0.792 1.00 0.00 C ATOM 201 OD1 ASP A 13 13.822 9.902 -1.375 1.00 0.00 O ATOM 202 OD2 ASP A 13 14.614 8.877 0.395 1.00 0.00 O ATOM 0 H ASP A 13 12.760 6.184 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 13 12.300 7.956 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.738 6.794 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.868 7.681 -2.456 1.00 0.00 H new ATOM 207 N LYS A 14 12.526 4.856 -2.793 1.00 0.00 N ATOM 208 CA LYS A 14 12.411 3.829 -3.814 1.00 0.00 C ATOM 209 C LYS A 14 11.054 3.929 -4.498 1.00 0.00 C ATOM 210 O LYS A 14 10.941 3.762 -5.712 1.00 0.00 O ATOM 211 CB LYS A 14 12.594 2.443 -3.200 1.00 0.00 C ATOM 212 CG LYS A 14 14.037 2.109 -2.857 1.00 0.00 C ATOM 213 CD LYS A 14 14.875 1.939 -4.111 1.00 0.00 C ATOM 214 CE LYS A 14 16.303 1.543 -3.783 1.00 0.00 C ATOM 215 NZ LYS A 14 17.079 1.251 -5.017 1.00 0.00 N ATOM 0 H LYS A 14 12.265 4.550 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 14 13.194 3.982 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.990 2.374 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.213 1.695 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.459 2.901 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.071 1.193 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.424 1.179 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.877 2.871 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.787 2.346 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.300 0.666 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.051 0.983 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.629 0.468 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.101 2.097 -5.622 1.00 0.00 H new ATOM 229 N GLY A 15 10.026 4.196 -3.708 1.00 0.00 N ATOM 230 CA GLY A 15 8.708 4.425 -4.259 1.00 0.00 C ATOM 231 C GLY A 15 7.890 3.159 -4.383 1.00 0.00 C ATOM 232 O GLY A 15 6.820 3.168 -4.988 1.00 0.00 O ATOM 0 H GLY A 15 10.082 4.258 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.175 5.135 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.806 4.885 -5.242 1.00 0.00 H new ATOM 236 N PHE A 16 8.381 2.067 -3.817 1.00 0.00 N ATOM 237 CA PHE A 16 7.656 0.807 -3.858 1.00 0.00 C ATOM 238 C PHE A 16 7.674 0.132 -2.498 1.00 0.00 C ATOM 239 O PHE A 16 8.410 0.544 -1.596 1.00 0.00 O ATOM 240 CB PHE A 16 8.227 -0.138 -4.931 1.00 0.00 C ATOM 241 CG PHE A 16 9.682 -0.493 -4.757 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.066 -1.508 -3.893 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.664 0.180 -5.468 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.398 -1.840 -3.737 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.997 -0.150 -5.315 1.00 0.00 C ATOM 246 CZ PHE A 16 12.365 -1.160 -4.448 1.00 0.00 C ATOM 0 H PHE A 16 9.274 2.028 -3.326 1.00 0.00 H new ATOM 0 HA PHE A 16 6.623 1.032 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.642 -1.058 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.096 0.325 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.314 -2.046 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.384 0.970 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.682 -2.631 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.752 0.383 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.407 -1.417 -4.327 1.00 0.00 H new ATOM 256 N GLY A 17 6.865 -0.901 -2.358 1.00 0.00 N ATOM 257 CA GLY A 17 6.789 -1.618 -1.107 1.00 0.00 C ATOM 258 C GLY A 17 5.819 -2.773 -1.172 1.00 0.00 C ATOM 259 O GLY A 17 5.311 -3.106 -2.248 1.00 0.00 O ATOM 0 H GLY A 17 6.255 -1.258 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.779 -1.991 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.484 -0.933 -0.315 1.00 0.00 H new ATOM 263 N PHE A 18 5.548 -3.368 -0.020 1.00 0.00 N ATOM 264 CA PHE A 18 4.667 -4.518 0.075 1.00 0.00 C ATOM 265 C PHE A 18 3.743 -4.345 1.265 1.00 0.00 C ATOM 266 O PHE A 18 4.178 -3.944 2.350 1.00 0.00 O ATOM 267 CB PHE A 18 5.467 -5.817 0.223 1.00 0.00 C ATOM 268 CG PHE A 18 6.348 -6.129 -0.955 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.825 -6.728 -2.089 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.700 -5.830 -0.922 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.633 -7.020 -3.171 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.515 -6.119 -2.000 1.00 0.00 C ATOM 273 CZ PHE A 18 7.981 -6.715 -3.126 1.00 0.00 C ATOM 0 H PHE A 18 5.934 -3.066 0.875 1.00 0.00 H new ATOM 0 HA PHE A 18 4.083 -4.584 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.085 -5.751 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.773 -6.644 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.773 -6.970 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.122 -5.365 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.213 -7.486 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.567 -5.879 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.615 -6.942 -3.970 1.00 0.00 H new ATOM 283 N ILE A 19 2.475 -4.627 1.053 1.00 0.00 N ATOM 284 CA ILE A 19 1.472 -4.478 2.092 1.00 0.00 C ATOM 285 C ILE A 19 0.690 -5.775 2.261 1.00 0.00 C ATOM 286 O ILE A 19 0.217 -6.356 1.279 1.00 0.00 O ATOM 287 CB ILE A 19 0.512 -3.317 1.755 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.284 -1.996 1.708 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.627 -3.241 2.757 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.449 -0.818 1.255 1.00 0.00 C ATOM 0 H ILE A 19 2.110 -4.964 0.162 1.00 0.00 H new ATOM 0 HA ILE A 19 1.978 -4.248 3.030 1.00 0.00 H new ATOM 0 HB ILE A 19 0.076 -3.503 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.686 -1.785 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.135 -2.107 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.287 -2.414 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.190 -4.174 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.222 -3.080 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.064 0.082 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.068 -1.006 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.387 -0.680 1.940 1.00 0.00 H new ATOM 302 N LYS A 20 0.578 -6.235 3.500 1.00 0.00 N ATOM 303 CA LYS A 20 -0.171 -7.449 3.799 1.00 0.00 C ATOM 304 C LYS A 20 -1.609 -7.089 4.140 1.00 0.00 C ATOM 305 O LYS A 20 -1.868 -6.386 5.120 1.00 0.00 O ATOM 306 CB LYS A 20 0.477 -8.217 4.956 1.00 0.00 C ATOM 307 CG LYS A 20 1.898 -8.679 4.666 1.00 0.00 C ATOM 308 CD LYS A 20 1.944 -9.699 3.534 1.00 0.00 C ATOM 309 CE LYS A 20 2.077 -11.125 4.056 1.00 0.00 C ATOM 310 NZ LYS A 20 0.921 -11.550 4.891 1.00 0.00 N ATOM 0 H LYS A 20 0.996 -5.786 4.315 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.161 -8.094 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.485 -7.582 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.137 -9.086 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.513 -7.818 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.328 -9.117 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.038 -9.616 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.784 -9.474 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.178 -11.807 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.992 -11.207 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.099 -12.501 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.795 -10.880 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.059 -11.566 4.309 1.00 0.00 H new ATOM 324 N ASP A 21 -2.541 -7.569 3.334 1.00 0.00 N ATOM 325 CA ASP A 21 -3.936 -7.181 3.478 1.00 0.00 C ATOM 326 C ASP A 21 -4.755 -8.263 4.163 1.00 0.00 C ATOM 327 O ASP A 21 -4.219 -9.274 4.625 1.00 0.00 O ATOM 328 CB ASP A 21 -4.542 -6.858 2.115 1.00 0.00 C ATOM 329 CG ASP A 21 -4.511 -8.041 1.175 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.498 -8.215 0.465 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.497 -8.803 1.150 1.00 0.00 O ATOM 0 H ASP A 21 -2.359 -8.226 2.575 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.963 -6.291 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.573 -6.530 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.998 -6.027 1.666 1.00 0.00 H new ATOM 336 N GLU A 22 -6.062 -8.037 4.205 1.00 0.00 N ATOM 337 CA GLU A 22 -6.995 -8.900 4.912 1.00 0.00 C ATOM 338 C GLU A 22 -7.042 -10.301 4.317 1.00 0.00 C ATOM 339 O GLU A 22 -7.307 -11.275 5.026 1.00 0.00 O ATOM 340 CB GLU A 22 -8.385 -8.278 4.863 1.00 0.00 C ATOM 341 CG GLU A 22 -8.446 -6.885 5.463 1.00 0.00 C ATOM 342 CD GLU A 22 -9.805 -6.247 5.300 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.066 -5.654 4.233 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.622 -6.340 6.241 1.00 0.00 O ATOM 0 H GLU A 22 -6.506 -7.242 3.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.653 -8.993 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.718 -8.233 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.083 -8.925 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.197 -6.938 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.693 -6.255 4.990 1.00 0.00 H new ATOM 351 N ASN A 23 -6.779 -10.403 3.020 1.00 0.00 N ATOM 352 CA ASN A 23 -6.866 -11.681 2.330 1.00 0.00 C ATOM 353 C ASN A 23 -5.737 -12.600 2.779 1.00 0.00 C ATOM 354 O ASN A 23 -5.858 -13.824 2.728 1.00 0.00 O ATOM 355 CB ASN A 23 -6.818 -11.476 0.817 1.00 0.00 C ATOM 356 CG ASN A 23 -7.280 -12.699 0.052 1.00 0.00 C ATOM 357 OD1 ASN A 23 -6.482 -13.567 -0.304 1.00 0.00 O ATOM 358 ND2 ASN A 23 -8.575 -12.765 -0.218 1.00 0.00 N ATOM 0 H ASN A 23 -6.505 -9.619 2.428 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.817 -12.149 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.444 -10.625 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.799 -11.228 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.947 -13.558 -0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.200 -12.023 0.097 1.00 0.00 H new ATOM 365 N GLY A 24 -4.642 -12.004 3.234 1.00 0.00 N ATOM 366 CA GLY A 24 -3.569 -12.784 3.812 1.00 0.00 C ATOM 367 C GLY A 24 -2.247 -12.623 3.091 1.00 0.00 C ATOM 368 O GLY A 24 -1.193 -12.910 3.658 1.00 0.00 O ATOM 0 H GLY A 24 -4.480 -10.997 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.442 -12.495 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.852 -13.837 3.805 1.00 0.00 H new ATOM 372 N ASP A 25 -2.280 -12.137 1.862 1.00 0.00 N ATOM 373 CA ASP A 25 -1.073 -12.094 1.047 1.00 0.00 C ATOM 374 C ASP A 25 -0.596 -10.659 0.894 1.00 0.00 C ATOM 375 O ASP A 25 -0.994 -9.788 1.671 1.00 0.00 O ATOM 376 CB ASP A 25 -1.321 -12.734 -0.321 1.00 0.00 C ATOM 377 CG ASP A 25 -0.045 -13.294 -0.926 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.381 -14.392 -0.505 1.00 0.00 O ATOM 379 OD2 ASP A 25 0.549 -12.635 -1.801 1.00 0.00 O ATOM 0 H ASP A 25 -3.117 -11.770 1.409 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.293 -12.666 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.056 -13.533 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.748 -11.992 -0.996 1.00 0.00 H new ATOM 384 N ASN A 26 0.268 -10.413 -0.080 1.00 0.00 N ATOM 385 CA ASN A 26 0.821 -9.097 -0.281 1.00 0.00 C ATOM 386 C ASN A 26 0.509 -8.585 -1.677 1.00 0.00 C ATOM 387 O ASN A 26 0.392 -9.358 -2.631 1.00 0.00 O ATOM 388 CB ASN A 26 2.338 -9.121 -0.072 1.00 0.00 C ATOM 389 CG ASN A 26 3.078 -9.908 -1.141 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.465 -9.365 -2.176 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.300 -11.186 -0.893 1.00 0.00 N ATOM 0 H ASN A 26 0.597 -11.116 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 26 0.366 -8.426 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.713 -8.097 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.557 -9.553 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.807 -11.756 -1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.965 -11.603 -0.025 1.00 0.00 H new ATOM 398 N ARG A 27 0.350 -7.283 -1.781 1.00 0.00 N ATOM 399 CA ARG A 27 0.258 -6.625 -3.069 1.00 0.00 C ATOM 400 C ARG A 27 1.501 -5.770 -3.285 1.00 0.00 C ATOM 401 O ARG A 27 2.070 -5.246 -2.327 1.00 0.00 O ATOM 402 CB ARG A 27 -1.003 -5.756 -3.159 1.00 0.00 C ATOM 403 CG ARG A 27 -2.217 -6.466 -3.740 1.00 0.00 C ATOM 404 CD ARG A 27 -2.802 -7.506 -2.796 1.00 0.00 C ATOM 405 NE ARG A 27 -3.842 -8.296 -3.456 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.503 -9.300 -2.883 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.352 -9.558 -1.593 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.349 -10.027 -3.602 1.00 0.00 N ATOM 0 H ARG A 27 0.281 -6.653 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 27 0.194 -7.386 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.252 -5.394 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.783 -4.880 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.983 -5.728 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.936 -6.949 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.010 -8.166 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.219 -7.011 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.077 -8.062 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.725 -8.985 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.863 -10.329 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.491 -9.816 -4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.857 -10.797 -3.167 1.00 0.00 H new ATOM 422 N TYR A 28 1.935 -5.656 -4.532 1.00 0.00 N ATOM 423 CA TYR A 28 3.064 -4.801 -4.872 1.00 0.00 C ATOM 424 C TYR A 28 2.575 -3.377 -5.098 1.00 0.00 C ATOM 425 O TYR A 28 1.729 -3.130 -5.959 1.00 0.00 O ATOM 426 CB TYR A 28 3.785 -5.329 -6.119 1.00 0.00 C ATOM 427 CG TYR A 28 4.972 -4.492 -6.557 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.218 -4.635 -5.953 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.846 -3.563 -7.581 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.299 -3.873 -6.357 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.923 -2.798 -7.990 1.00 0.00 C ATOM 432 CZ TYR A 28 7.146 -2.957 -7.376 1.00 0.00 C ATOM 433 OH TYR A 28 8.221 -2.200 -7.781 1.00 0.00 O ATOM 0 H TYR A 28 1.522 -6.145 -5.326 1.00 0.00 H new ATOM 0 HA TYR A 28 3.775 -4.806 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.125 -6.346 -5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.071 -5.384 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.343 -5.353 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.890 -3.435 -8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.259 -3.995 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.806 -2.079 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 28 7.946 -1.604 -8.509 1.00 0.00 H new ATOM 443 N PHE A 29 3.097 -2.446 -4.317 1.00 0.00 N ATOM 444 CA PHE A 29 2.652 -1.065 -4.388 1.00 0.00 C ATOM 445 C PHE A 29 3.714 -0.165 -4.986 1.00 0.00 C ATOM 446 O PHE A 29 4.909 -0.455 -4.926 1.00 0.00 O ATOM 447 CB PHE A 29 2.263 -0.549 -3.004 1.00 0.00 C ATOM 448 CG PHE A 29 1.007 -1.168 -2.463 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.013 -2.452 -1.947 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.181 -0.461 -2.472 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.145 -3.019 -1.453 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.342 -1.024 -1.978 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.323 -2.304 -1.467 1.00 0.00 C ATOM 0 H PHE A 29 3.828 -2.621 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 29 1.778 -1.043 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.081 -0.742 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.134 0.532 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.933 -3.017 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.202 0.543 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.128 -4.023 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.264 -0.462 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.229 -2.745 -1.079 1.00 0.00 H new ATOM 463 N HIS A 30 3.256 0.933 -5.557 1.00 0.00 N ATOM 464 CA HIS A 30 4.132 1.926 -6.146 1.00 0.00 C ATOM 465 C HIS A 30 3.537 3.315 -5.919 1.00 0.00 C ATOM 466 O HIS A 30 2.339 3.520 -6.114 1.00 0.00 O ATOM 467 CB HIS A 30 4.332 1.636 -7.640 1.00 0.00 C ATOM 468 CG HIS A 30 5.321 2.540 -8.319 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.091 3.105 -9.552 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.537 2.992 -7.928 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.111 3.872 -9.886 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.003 3.818 -8.919 1.00 0.00 N ATOM 0 H HIS A 30 2.264 1.161 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 30 5.112 1.886 -5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.662 0.604 -7.757 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.371 1.723 -8.147 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.045 2.747 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.199 4.446 -10.797 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.896 4.311 -8.909 1.00 0.00 H new ATOM 481 N VAL A 31 4.393 4.248 -5.506 1.00 0.00 N ATOM 482 CA VAL A 31 3.986 5.591 -5.065 1.00 0.00 C ATOM 483 C VAL A 31 3.051 6.310 -6.052 1.00 0.00 C ATOM 484 O VAL A 31 2.242 7.144 -5.644 1.00 0.00 O ATOM 485 CB VAL A 31 5.230 6.475 -4.794 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.025 6.709 -6.072 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.832 7.798 -4.149 1.00 0.00 C ATOM 0 H VAL A 31 5.401 4.096 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 31 3.421 5.441 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 31 5.872 5.941 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.892 7.332 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.358 5.752 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.394 7.211 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.724 8.398 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.158 8.339 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.329 7.604 -3.202 1.00 0.00 H new ATOM 497 N ILE A 32 3.144 5.976 -7.334 1.00 0.00 N ATOM 498 CA ILE A 32 2.353 6.653 -8.363 1.00 0.00 C ATOM 499 C ILE A 32 0.852 6.404 -8.176 1.00 0.00 C ATOM 500 O ILE A 32 0.016 7.206 -8.587 1.00 0.00 O ATOM 501 CB ILE A 32 2.781 6.205 -9.779 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.050 7.021 -10.837 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.495 4.726 -9.980 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.711 6.990 -12.197 1.00 0.00 C ATOM 0 H ILE A 32 3.757 5.242 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 32 2.542 7.721 -8.256 1.00 0.00 H new ATOM 0 HB ILE A 32 3.853 6.372 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.030 6.647 -10.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.981 8.055 -10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.803 4.429 -10.982 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.049 4.145 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.427 4.542 -9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.133 7.594 -12.896 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.721 7.392 -12.120 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.756 5.962 -12.556 1.00 0.00 H new ATOM 516 N LYS A 33 0.523 5.290 -7.544 1.00 0.00 N ATOM 517 CA LYS A 33 -0.866 4.916 -7.316 1.00 0.00 C ATOM 518 C LYS A 33 -1.290 5.222 -5.886 1.00 0.00 C ATOM 519 O LYS A 33 -2.355 4.795 -5.440 1.00 0.00 O ATOM 520 CB LYS A 33 -1.074 3.429 -7.627 1.00 0.00 C ATOM 521 CG LYS A 33 -0.893 3.097 -9.098 1.00 0.00 C ATOM 522 CD LYS A 33 -1.907 3.844 -9.949 1.00 0.00 C ATOM 523 CE LYS A 33 -1.648 3.667 -11.434 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.621 4.443 -12.247 1.00 0.00 N ATOM 0 H LYS A 33 1.203 4.624 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.490 5.508 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.371 2.839 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.076 3.135 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.117 3.360 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.005 2.023 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.910 3.489 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.877 4.905 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.634 3.990 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.714 2.610 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.419 4.302 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.586 4.117 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.539 5.453 -12.015 1.00 0.00 H new ATOM 538 N VAL A 34 -0.458 5.971 -5.173 1.00 0.00 N ATOM 539 CA VAL A 34 -0.760 6.348 -3.800 1.00 0.00 C ATOM 540 C VAL A 34 -1.352 7.753 -3.761 1.00 0.00 C ATOM 541 O VAL A 34 -0.770 8.698 -4.301 1.00 0.00 O ATOM 542 CB VAL A 34 0.492 6.293 -2.896 1.00 0.00 C ATOM 543 CG1 VAL A 34 0.139 6.661 -1.462 1.00 0.00 C ATOM 544 CG2 VAL A 34 1.132 4.915 -2.950 1.00 0.00 C ATOM 0 H VAL A 34 0.431 6.329 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.483 5.628 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 34 1.212 7.022 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.035 6.616 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.269 7.671 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.602 5.960 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.012 4.897 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.416 4.168 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.427 4.691 -3.975 1.00 0.00 H new ATOM 554 N ALA A 35 -2.504 7.883 -3.119 1.00 0.00 N ATOM 555 CA ALA A 35 -3.224 9.147 -3.082 1.00 0.00 C ATOM 556 C ALA A 35 -2.666 10.078 -2.013 1.00 0.00 C ATOM 557 O ALA A 35 -2.711 11.299 -2.159 1.00 0.00 O ATOM 558 CB ALA A 35 -4.705 8.897 -2.842 1.00 0.00 C ATOM 0 H ALA A 35 -2.962 7.124 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.094 9.635 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.235 9.849 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.105 8.281 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.838 8.382 -1.891 1.00 0.00 H new ATOM 564 N ASN A 36 -2.142 9.499 -0.939 1.00 0.00 N ATOM 565 CA ASN A 36 -1.622 10.285 0.175 1.00 0.00 C ATOM 566 C ASN A 36 -0.357 9.656 0.767 1.00 0.00 C ATOM 567 O ASN A 36 -0.407 8.954 1.778 1.00 0.00 O ATOM 568 CB ASN A 36 -2.703 10.479 1.261 1.00 0.00 C ATOM 569 CG ASN A 36 -3.332 9.181 1.761 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.404 8.179 1.047 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.816 9.195 2.995 1.00 0.00 N ATOM 0 H ASN A 36 -2.066 8.489 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.348 11.266 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.261 11.004 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.489 11.121 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.263 8.361 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.742 10.039 3.562 1.00 0.00 H new ATOM 578 N PRO A 37 0.805 9.899 0.131 1.00 0.00 N ATOM 579 CA PRO A 37 2.089 9.351 0.586 1.00 0.00 C ATOM 580 C PRO A 37 2.614 10.033 1.852 1.00 0.00 C ATOM 581 O PRO A 37 3.464 9.485 2.558 1.00 0.00 O ATOM 582 CB PRO A 37 3.027 9.619 -0.594 1.00 0.00 C ATOM 583 CG PRO A 37 2.443 10.800 -1.289 1.00 0.00 C ATOM 584 CD PRO A 37 0.953 10.712 -1.093 1.00 0.00 C ATOM 0 HA PRO A 37 2.003 8.298 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.042 9.824 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.082 8.757 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.835 11.728 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.697 10.792 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.506 11.699 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.464 10.242 -1.947 1.00 0.00 H new ATOM 592 N ASP A 38 2.102 11.225 2.141 1.00 0.00 N ATOM 593 CA ASP A 38 2.534 11.985 3.316 1.00 0.00 C ATOM 594 C ASP A 38 2.034 11.324 4.597 1.00 0.00 C ATOM 595 O ASP A 38 2.620 11.480 5.670 1.00 0.00 O ATOM 596 CB ASP A 38 2.013 13.423 3.235 1.00 0.00 C ATOM 597 CG ASP A 38 2.524 14.302 4.363 1.00 0.00 C ATOM 598 OD1 ASP A 38 3.642 14.846 4.240 1.00 0.00 O ATOM 599 OD2 ASP A 38 1.804 14.470 5.369 1.00 0.00 O ATOM 0 H ASP A 38 1.387 11.688 1.580 1.00 0.00 H new ATOM 0 HA ASP A 38 3.624 12.000 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.309 13.858 2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.923 13.411 3.256 1.00 0.00 H new ATOM 604 N LEU A 39 0.971 10.548 4.461 1.00 0.00 N ATOM 605 CA LEU A 39 0.307 9.944 5.599 1.00 0.00 C ATOM 606 C LEU A 39 0.689 8.476 5.741 1.00 0.00 C ATOM 607 O LEU A 39 0.117 7.749 6.550 1.00 0.00 O ATOM 608 CB LEU A 39 -1.203 10.095 5.442 1.00 0.00 C ATOM 609 CG LEU A 39 -1.728 11.520 5.633 1.00 0.00 C ATOM 610 CD1 LEU A 39 -3.195 11.609 5.245 1.00 0.00 C ATOM 611 CD2 LEU A 39 -1.533 11.968 7.073 1.00 0.00 C ATOM 0 H LEU A 39 0.547 10.321 3.561 1.00 0.00 H new ATOM 0 HA LEU A 39 0.628 10.455 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.488 9.748 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.696 9.441 6.161 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.160 12.184 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.548 12.630 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.312 11.328 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.778 10.932 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.911 12.983 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.076 11.298 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.472 11.945 7.321 1.00 0.00 H new ATOM 623 N ILE A 40 1.677 8.056 4.968 1.00 0.00 N ATOM 624 CA ILE A 40 2.136 6.678 4.988 1.00 0.00 C ATOM 625 C ILE A 40 3.091 6.430 6.151 1.00 0.00 C ATOM 626 O ILE A 40 4.151 7.049 6.245 1.00 0.00 O ATOM 627 CB ILE A 40 2.831 6.300 3.660 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.814 6.255 2.519 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.553 4.964 3.785 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.417 5.861 1.188 1.00 0.00 C ATOM 0 H ILE A 40 2.180 8.656 4.314 1.00 0.00 H new ATOM 0 HA ILE A 40 1.255 6.050 5.116 1.00 0.00 H new ATOM 0 HB ILE A 40 3.573 7.066 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.024 5.548 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.346 7.235 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.034 4.720 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.308 5.030 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.835 4.184 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.639 5.850 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.187 6.581 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.860 4.868 1.269 1.00 0.00 H new ATOM 642 N LYS A 41 2.697 5.534 7.039 1.00 0.00 N ATOM 643 CA LYS A 41 3.557 5.093 8.126 1.00 0.00 C ATOM 644 C LYS A 41 3.618 3.574 8.124 1.00 0.00 C ATOM 645 O LYS A 41 2.741 2.919 7.562 1.00 0.00 O ATOM 646 CB LYS A 41 3.042 5.584 9.483 1.00 0.00 C ATOM 647 CG LYS A 41 2.890 7.094 9.595 1.00 0.00 C ATOM 648 CD LYS A 41 2.470 7.501 11.001 1.00 0.00 C ATOM 649 CE LYS A 41 2.195 8.994 11.106 1.00 0.00 C ATOM 650 NZ LYS A 41 3.377 9.818 10.733 1.00 0.00 N ATOM 0 H LYS A 41 1.777 5.093 7.028 1.00 0.00 H new ATOM 0 HA LYS A 41 4.551 5.514 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.076 5.119 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.725 5.242 10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.833 7.577 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.149 7.442 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.576 6.947 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.254 7.227 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.357 9.252 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.896 9.234 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.173 10.821 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.199 9.522 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.586 9.687 9.723 1.00 0.00 H new ATOM 664 N LYS A 42 4.636 3.012 8.744 1.00 0.00 N ATOM 665 CA LYS A 42 4.752 1.568 8.825 1.00 0.00 C ATOM 666 C LYS A 42 3.810 1.056 9.907 1.00 0.00 C ATOM 667 O LYS A 42 3.569 1.754 10.895 1.00 0.00 O ATOM 668 CB LYS A 42 6.198 1.161 9.121 1.00 0.00 C ATOM 669 CG LYS A 42 6.460 -0.331 8.991 1.00 0.00 C ATOM 670 CD LYS A 42 7.914 -0.669 9.285 1.00 0.00 C ATOM 671 CE LYS A 42 8.189 -2.156 9.124 1.00 0.00 C ATOM 672 NZ LYS A 42 9.597 -2.501 9.449 1.00 0.00 N ATOM 0 H LYS A 42 5.391 3.528 9.197 1.00 0.00 H new ATOM 0 HA LYS A 42 4.474 1.124 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.861 1.696 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.454 1.478 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.812 -0.876 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.205 -0.660 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.562 -0.104 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.161 -0.361 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.519 -2.721 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.970 -2.456 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.741 -3.524 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.237 -1.982 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.800 -2.239 10.435 1.00 0.00 H new ATOM 686 N ASP A 43 3.251 -0.139 9.694 1.00 0.00 N ATOM 687 CA ASP A 43 2.285 -0.741 10.625 1.00 0.00 C ATOM 688 C ASP A 43 0.936 -0.015 10.549 1.00 0.00 C ATOM 689 O ASP A 43 -0.009 -0.337 11.270 1.00 0.00 O ATOM 690 CB ASP A 43 2.845 -0.737 12.062 1.00 0.00 C ATOM 691 CG ASP A 43 1.902 -1.337 13.087 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.703 -2.570 13.070 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.367 -0.577 13.925 1.00 0.00 O ATOM 0 H ASP A 43 3.452 -0.716 8.877 1.00 0.00 H new ATOM 0 HA ASP A 43 2.120 -1.778 10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.784 -1.290 12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.075 0.289 12.350 1.00 0.00 H new ATOM 698 N ALA A 44 0.835 0.946 9.638 1.00 0.00 N ATOM 699 CA ALA A 44 -0.408 1.669 9.422 1.00 0.00 C ATOM 700 C ALA A 44 -1.266 0.945 8.394 1.00 0.00 C ATOM 701 O ALA A 44 -0.751 0.178 7.575 1.00 0.00 O ATOM 702 CB ALA A 44 -0.123 3.095 8.972 1.00 0.00 C ATOM 0 H ALA A 44 1.603 1.242 9.036 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.956 1.710 10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.064 3.622 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.457 3.609 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.442 3.076 8.040 1.00 0.00 H new ATOM 708 N ALA A 45 -2.568 1.180 8.443 1.00 0.00 N ATOM 709 CA ALA A 45 -3.492 0.511 7.542 1.00 0.00 C ATOM 710 C ALA A 45 -3.835 1.395 6.351 1.00 0.00 C ATOM 711 O ALA A 45 -4.016 2.605 6.490 1.00 0.00 O ATOM 712 CB ALA A 45 -4.758 0.111 8.284 1.00 0.00 C ATOM 0 H ALA A 45 -3.008 1.828 9.096 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.004 -0.388 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.440 -0.389 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.503 -0.567 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.239 1.001 8.689 1.00 0.00 H new ATOM 718 N VAL A 46 -3.899 0.783 5.178 1.00 0.00 N ATOM 719 CA VAL A 46 -4.278 1.482 3.960 1.00 0.00 C ATOM 720 C VAL A 46 -5.393 0.729 3.246 1.00 0.00 C ATOM 721 O VAL A 46 -5.476 -0.494 3.326 1.00 0.00 O ATOM 722 CB VAL A 46 -3.083 1.647 2.992 1.00 0.00 C ATOM 723 CG1 VAL A 46 -1.957 2.439 3.641 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.576 0.294 2.518 1.00 0.00 C ATOM 0 H VAL A 46 -3.691 -0.207 5.044 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.622 2.474 4.254 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.435 2.205 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.130 2.539 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.321 3.429 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.612 1.917 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.736 0.438 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.252 -0.294 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.376 -0.233 1.999 1.00 0.00 H new ATOM 734 N THR A 47 -6.249 1.462 2.561 1.00 0.00 N ATOM 735 CA THR A 47 -7.323 0.863 1.789 1.00 0.00 C ATOM 736 C THR A 47 -7.062 1.050 0.301 1.00 0.00 C ATOM 737 O THR A 47 -6.693 2.142 -0.136 1.00 0.00 O ATOM 738 CB THR A 47 -8.696 1.459 2.166 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.601 2.888 2.291 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.206 0.861 3.467 1.00 0.00 C ATOM 0 H THR A 47 -6.222 2.481 2.523 1.00 0.00 H new ATOM 0 HA THR A 47 -7.348 -0.202 2.022 1.00 0.00 H new ATOM 0 HB THR A 47 -9.401 1.215 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.884 3.220 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.175 1.296 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.311 -0.218 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.499 1.076 4.268 1.00 0.00 H new ATOM 748 N PHE A 48 -7.247 -0.011 -0.469 1.00 0.00 N ATOM 749 CA PHE A 48 -6.904 0.005 -1.885 1.00 0.00 C ATOM 750 C PHE A 48 -7.837 -0.882 -2.698 1.00 0.00 C ATOM 751 O PHE A 48 -8.590 -1.687 -2.144 1.00 0.00 O ATOM 752 CB PHE A 48 -5.460 -0.469 -2.071 1.00 0.00 C ATOM 753 CG PHE A 48 -5.130 -1.724 -1.297 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.448 -2.977 -1.802 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.506 -1.647 -0.060 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.149 -4.124 -1.092 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.206 -2.792 0.655 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.526 -4.030 0.137 1.00 0.00 C ATOM 0 H PHE A 48 -7.633 -0.895 -0.138 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.012 1.029 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.279 -0.648 -3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.783 0.327 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.936 -3.057 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.251 -0.681 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.402 -5.092 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.722 -2.717 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.289 -4.925 0.692 1.00 0.00 H new ATOM 768 N GLU A 49 -7.770 -0.732 -4.014 1.00 0.00 N ATOM 769 CA GLU A 49 -8.526 -1.579 -4.924 1.00 0.00 C ATOM 770 C GLU A 49 -7.675 -2.770 -5.339 1.00 0.00 C ATOM 771 O GLU A 49 -6.469 -2.630 -5.546 1.00 0.00 O ATOM 772 CB GLU A 49 -8.930 -0.796 -6.177 1.00 0.00 C ATOM 773 CG GLU A 49 -9.743 0.453 -5.897 1.00 0.00 C ATOM 774 CD GLU A 49 -11.077 0.152 -5.244 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.902 -0.544 -5.873 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.321 0.644 -4.125 1.00 0.00 O ATOM 0 H GLU A 49 -7.196 -0.027 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.425 -1.921 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.029 -0.514 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.506 -1.451 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.169 1.117 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.914 0.987 -6.832 1.00 0.00 H new ATOM 783 N PRO A 50 -8.282 -3.954 -5.482 1.00 0.00 N ATOM 784 CA PRO A 50 -7.575 -5.158 -5.902 1.00 0.00 C ATOM 785 C PRO A 50 -7.424 -5.242 -7.421 1.00 0.00 C ATOM 786 O PRO A 50 -8.380 -5.010 -8.165 1.00 0.00 O ATOM 787 CB PRO A 50 -8.471 -6.301 -5.392 1.00 0.00 C ATOM 788 CG PRO A 50 -9.649 -5.651 -4.726 1.00 0.00 C ATOM 789 CD PRO A 50 -9.692 -4.233 -5.215 1.00 0.00 C ATOM 0 HA PRO A 50 -6.559 -5.188 -5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.793 -6.939 -6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.929 -6.936 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.572 -6.175 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.547 -5.683 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.304 -4.130 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.106 -3.557 -4.467 1.00 0.00 H new ATOM 797 N THR A 51 -6.223 -5.572 -7.878 1.00 0.00 N ATOM 798 CA THR A 51 -5.968 -5.779 -9.296 1.00 0.00 C ATOM 799 C THR A 51 -4.799 -6.748 -9.474 1.00 0.00 C ATOM 800 O THR A 51 -4.021 -6.971 -8.543 1.00 0.00 O ATOM 801 CB THR A 51 -5.684 -4.440 -10.026 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.580 -4.648 -11.442 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.411 -3.787 -9.516 1.00 0.00 C ATOM 0 H THR A 51 -5.406 -5.703 -7.282 1.00 0.00 H new ATOM 0 HA THR A 51 -6.863 -6.210 -9.745 1.00 0.00 H new ATOM 0 HB THR A 51 -6.522 -3.774 -9.818 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.494 -3.783 -11.894 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.243 -2.851 -10.049 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.508 -3.584 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.567 -4.456 -9.683 1.00 0.00 H new ATOM 811 N THR A 52 -4.675 -7.334 -10.650 1.00 0.00 N ATOM 812 CA THR A 52 -3.660 -8.346 -10.874 1.00 0.00 C ATOM 813 C THR A 52 -2.464 -7.771 -11.629 1.00 0.00 C ATOM 814 O THR A 52 -2.605 -6.878 -12.467 1.00 0.00 O ATOM 815 CB THR A 52 -4.236 -9.539 -11.652 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.587 -9.782 -11.231 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.406 -10.792 -11.416 1.00 0.00 C ATOM 0 H THR A 52 -5.260 -7.129 -11.460 1.00 0.00 H new ATOM 0 HA THR A 52 -3.324 -8.690 -9.896 1.00 0.00 H new ATOM 0 HB THR A 52 -4.213 -9.298 -12.715 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.953 -10.542 -11.729 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.834 -11.623 -11.977 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.382 -10.618 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.406 -11.034 -10.353 1.00 0.00 H new ATOM 825 N ASN A 53 -1.293 -8.302 -11.330 1.00 0.00 N ATOM 826 CA ASN A 53 -0.046 -7.823 -11.902 1.00 0.00 C ATOM 827 C ASN A 53 0.558 -8.900 -12.793 1.00 0.00 C ATOM 828 O ASN A 53 0.246 -10.079 -12.632 1.00 0.00 O ATOM 829 CB ASN A 53 0.926 -7.444 -10.782 1.00 0.00 C ATOM 830 CG ASN A 53 2.198 -6.843 -11.321 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.206 -7.532 -11.482 1.00 0.00 O ATOM 832 ND2 ASN A 53 2.144 -5.566 -11.640 1.00 0.00 N ATOM 0 H ASN A 53 -1.178 -9.081 -10.681 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.241 -6.938 -12.508 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.445 -6.734 -10.109 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.164 -8.330 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.961 -5.105 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.285 -5.038 -11.487 1.00 0.00 H new ATOM 839 N ASN A 54 1.402 -8.494 -13.736 1.00 0.00 N ATOM 840 CA ASN A 54 2.076 -9.437 -14.630 1.00 0.00 C ATOM 841 C ASN A 54 2.846 -10.495 -13.847 1.00 0.00 C ATOM 842 O ASN A 54 2.947 -11.644 -14.273 1.00 0.00 O ATOM 843 CB ASN A 54 3.033 -8.701 -15.571 1.00 0.00 C ATOM 844 CG ASN A 54 2.354 -8.191 -16.826 1.00 0.00 C ATOM 845 OD1 ASN A 54 2.294 -8.889 -17.836 1.00 0.00 O ATOM 846 ND2 ASN A 54 1.842 -6.971 -16.780 1.00 0.00 N ATOM 0 H ASN A 54 1.638 -7.516 -13.903 1.00 0.00 H new ATOM 0 HA ASN A 54 1.304 -9.934 -15.217 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.481 -7.861 -15.040 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.846 -9.371 -15.851 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.379 -6.581 -17.601 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.911 -6.421 -15.924 1.00 0.00 H new ATOM 853 N LYS A 55 3.386 -10.106 -12.701 1.00 0.00 N ATOM 854 CA LYS A 55 4.143 -11.030 -11.873 1.00 0.00 C ATOM 855 C LYS A 55 3.318 -11.530 -10.691 1.00 0.00 C ATOM 856 O LYS A 55 3.296 -12.729 -10.406 1.00 0.00 O ATOM 857 CB LYS A 55 5.424 -10.369 -11.363 1.00 0.00 C ATOM 858 CG LYS A 55 6.573 -11.345 -11.186 1.00 0.00 C ATOM 859 CD LYS A 55 7.803 -10.663 -10.610 1.00 0.00 C ATOM 860 CE LYS A 55 8.923 -11.661 -10.361 1.00 0.00 C ATOM 861 NZ LYS A 55 10.122 -11.019 -9.764 1.00 0.00 N ATOM 0 H LYS A 55 3.314 -9.160 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 55 4.402 -11.886 -12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.724 -9.588 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.219 -9.883 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.264 -12.156 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.822 -11.793 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.148 -9.890 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.542 -10.166 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.565 -12.448 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.198 -12.138 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.860 -11.736 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.480 -10.285 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.867 -10.586 -8.854 1.00 0.00 H new ATOM 875 N GLY A 56 2.622 -10.622 -10.019 1.00 0.00 N ATOM 876 CA GLY A 56 1.951 -10.982 -8.785 1.00 0.00 C ATOM 877 C GLY A 56 0.663 -10.223 -8.567 1.00 0.00 C ATOM 878 O GLY A 56 -0.143 -10.072 -9.484 1.00 0.00 O ATOM 0 H GLY A 56 2.510 -9.649 -10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.739 -12.051 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.622 -10.796 -7.946 1.00 0.00 H new ATOM 882 N LEU A 57 0.467 -9.754 -7.346 1.00 0.00 N ATOM 883 CA LEU A 57 -0.723 -9.011 -6.993 1.00 0.00 C ATOM 884 C LEU A 57 -0.418 -7.517 -6.926 1.00 0.00 C ATOM 885 O LEU A 57 0.710 -7.118 -6.633 1.00 0.00 O ATOM 886 CB LEU A 57 -1.253 -9.510 -5.653 1.00 0.00 C ATOM 887 CG LEU A 57 -1.667 -10.984 -5.626 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.050 -11.405 -4.218 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.820 -11.228 -6.586 1.00 0.00 C ATOM 0 H LEU A 57 1.127 -9.879 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.484 -9.167 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.487 -9.350 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.113 -8.902 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.817 -11.587 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.341 -12.455 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.198 -11.265 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.886 -10.797 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.103 -12.280 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.672 -10.615 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.513 -10.964 -7.598 1.00 0.00 H new ATOM 901 N SER A 58 -1.421 -6.695 -7.197 1.00 0.00 N ATOM 902 CA SER A 58 -1.241 -5.250 -7.222 1.00 0.00 C ATOM 903 C SER A 58 -2.486 -4.537 -6.719 1.00 0.00 C ATOM 904 O SER A 58 -3.542 -5.151 -6.557 1.00 0.00 O ATOM 905 CB SER A 58 -0.893 -4.786 -8.633 1.00 0.00 C ATOM 906 OG SER A 58 -1.574 -5.564 -9.603 1.00 0.00 O ATOM 0 H SER A 58 -2.371 -7.005 -7.403 1.00 0.00 H new ATOM 0 HA SER A 58 -0.416 -4.997 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.159 -3.736 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.183 -4.862 -8.790 1.00 0.00 H new ATOM 0 HG SER A 58 -2.326 -6.029 -9.180 1.00 0.00 H new ATOM 912 N ALA A 59 -2.352 -3.252 -6.456 1.00 0.00 N ATOM 913 CA ALA A 59 -3.456 -2.472 -5.922 1.00 0.00 C ATOM 914 C ALA A 59 -3.505 -1.080 -6.535 1.00 0.00 C ATOM 915 O ALA A 59 -2.475 -0.517 -6.907 1.00 0.00 O ATOM 916 CB ALA A 59 -3.341 -2.379 -4.411 1.00 0.00 C ATOM 0 H ALA A 59 -1.491 -2.724 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.385 -2.980 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.172 -1.793 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.368 -3.381 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.400 -1.897 -4.147 1.00 0.00 H new ATOM 922 N TYR A 60 -4.711 -0.541 -6.651 1.00 0.00 N ATOM 923 CA TYR A 60 -4.904 0.819 -7.132 1.00 0.00 C ATOM 924 C TYR A 60 -5.553 1.668 -6.056 1.00 0.00 C ATOM 925 O TYR A 60 -6.009 1.143 -5.040 1.00 0.00 O ATOM 926 CB TYR A 60 -5.782 0.862 -8.380 1.00 0.00 C ATOM 927 CG TYR A 60 -5.157 0.263 -9.616 1.00 0.00 C ATOM 928 CD1 TYR A 60 -3.826 0.500 -9.935 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.909 -0.517 -10.483 1.00 0.00 C ATOM 930 CE1 TYR A 60 -3.262 -0.026 -11.079 1.00 0.00 C ATOM 931 CE2 TYR A 60 -5.352 -1.051 -11.627 1.00 0.00 C ATOM 932 CZ TYR A 60 -4.029 -0.801 -11.923 1.00 0.00 C ATOM 933 OH TYR A 60 -3.474 -1.318 -13.072 1.00 0.00 O ATOM 0 H TYR A 60 -5.575 -1.029 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.919 1.211 -7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.713 0.336 -8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.042 1.900 -8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.222 1.106 -9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.948 -0.709 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.226 0.168 -11.312 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.950 -1.662 -12.287 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.148 -1.841 -13.554 1.00 0.00 H new ATOM 943 N ALA A 61 -5.609 2.974 -6.311 1.00 0.00 N ATOM 944 CA ALA A 61 -6.212 3.935 -5.389 1.00 0.00 C ATOM 945 C ALA A 61 -5.731 3.710 -3.958 1.00 0.00 C ATOM 946 O ALA A 61 -6.536 3.560 -3.039 1.00 0.00 O ATOM 947 CB ALA A 61 -7.730 3.861 -5.463 1.00 0.00 C ATOM 0 H ALA A 61 -5.238 3.396 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.896 4.933 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.164 4.583 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.056 4.090 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.059 2.857 -5.194 1.00 0.00 H new ATOM 953 N VAL A 62 -4.418 3.689 -3.778 1.00 0.00 N ATOM 954 CA VAL A 62 -3.836 3.431 -2.472 1.00 0.00 C ATOM 955 C VAL A 62 -4.068 4.619 -1.548 1.00 0.00 C ATOM 956 O VAL A 62 -3.377 5.638 -1.634 1.00 0.00 O ATOM 957 CB VAL A 62 -2.327 3.148 -2.575 1.00 0.00 C ATOM 958 CG1 VAL A 62 -1.756 2.744 -1.224 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.057 2.075 -3.615 1.00 0.00 C ATOM 0 H VAL A 62 -3.737 3.848 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.325 2.547 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.829 4.065 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.688 2.549 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.913 3.550 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.258 1.843 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.985 1.888 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.571 1.156 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.421 2.410 -4.586 1.00 0.00 H new ATOM 969 N LYS A 63 -5.059 4.487 -0.686 1.00 0.00 N ATOM 970 CA LYS A 63 -5.428 5.552 0.219 1.00 0.00 C ATOM 971 C LYS A 63 -5.247 5.101 1.658 1.00 0.00 C ATOM 972 O LYS A 63 -5.893 4.152 2.110 1.00 0.00 O ATOM 973 CB LYS A 63 -6.873 5.966 -0.041 1.00 0.00 C ATOM 974 CG LYS A 63 -7.288 7.249 0.653 1.00 0.00 C ATOM 975 CD LYS A 63 -8.645 7.719 0.159 1.00 0.00 C ATOM 976 CE LYS A 63 -8.655 7.861 -1.360 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.968 8.331 -1.874 1.00 0.00 N ATOM 0 H LYS A 63 -5.625 3.644 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.781 6.413 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.017 6.084 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.533 5.161 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.325 7.089 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.542 8.023 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.413 7.010 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.892 8.676 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.877 8.562 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.412 6.900 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.926 8.412 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.708 7.650 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.189 9.260 -1.463 1.00 0.00 H new ATOM 991 N VAL A 64 -4.353 5.773 2.357 1.00 0.00 N ATOM 992 CA VAL A 64 -4.026 5.433 3.735 1.00 0.00 C ATOM 993 C VAL A 64 -5.191 5.761 4.666 1.00 0.00 C ATOM 994 O VAL A 64 -5.978 6.666 4.388 1.00 0.00 O ATOM 995 CB VAL A 64 -2.764 6.196 4.204 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.295 5.714 5.570 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.647 6.069 3.179 1.00 0.00 C ATOM 0 H VAL A 64 -3.832 6.569 1.990 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.830 4.361 3.773 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.031 7.249 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.407 6.272 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.086 5.873 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.056 4.652 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.769 6.613 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.393 5.017 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.977 6.486 2.228 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.292 5.018 5.763 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.303 5.259 6.784 1.00 0.00 C ATOM 1009 C VAL A 65 -5.656 5.952 7.982 1.00 0.00 C ATOM 1010 O VAL A 65 -5.162 5.299 8.907 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.980 3.953 7.245 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.067 4.236 8.269 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.545 3.187 6.057 1.00 0.00 C ATOM 0 H VAL A 65 -4.675 4.232 5.969 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.074 5.895 6.349 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.221 3.331 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.529 3.298 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.629 4.728 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.823 4.885 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.018 2.269 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.284 3.803 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.738 2.939 5.367 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.605 7.289 7.954 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.857 8.080 8.917 1.00 0.00 C ATOM 1025 C PRO A 66 -5.608 8.302 10.225 1.00 0.00 C ATOM 1026 O PRO A 66 -6.817 8.536 10.237 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.645 9.423 8.198 1.00 0.00 C ATOM 1028 CG PRO A 66 -5.382 9.327 6.895 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.302 8.148 7.000 1.00 0.00 C ATOM 0 HA PRO A 66 -3.934 7.576 9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.025 10.249 8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.584 9.611 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.945 10.240 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.686 9.201 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.290 8.435 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.443 7.656 6.038 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.873 8.230 11.323 1.00 0.00 N ATOM 1038 CA LEU A 67 -5.416 8.539 12.638 1.00 0.00 C ATOM 1039 C LEU A 67 -5.350 10.043 12.884 1.00 0.00 C ATOM 1040 O LEU A 67 -5.948 10.565 13.824 1.00 0.00 O ATOM 1041 CB LEU A 67 -4.653 7.787 13.742 1.00 0.00 C ATOM 1042 CG LEU A 67 -3.167 8.148 13.905 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -2.647 7.650 15.242 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -2.327 7.561 12.776 1.00 0.00 C ATOM 0 H LEU A 67 -3.890 7.958 11.330 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.456 8.214 12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.156 7.969 14.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.726 6.718 13.542 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.083 9.234 13.866 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.594 7.913 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.216 8.112 16.049 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.758 6.567 15.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.282 7.834 12.920 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.422 6.475 12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.676 7.953 11.821 1.00 0.00 H new ATOM 1056 N GLU A 68 -4.615 10.726 12.019 1.00 0.00 N ATOM 1057 CA GLU A 68 -4.469 12.171 12.093 1.00 0.00 C ATOM 1058 C GLU A 68 -5.228 12.818 10.937 1.00 0.00 C ATOM 1059 O GLU A 68 -5.389 12.212 9.879 1.00 0.00 O ATOM 1060 CB GLU A 68 -2.980 12.551 12.065 1.00 0.00 C ATOM 1061 CG GLU A 68 -2.709 14.047 12.164 1.00 0.00 C ATOM 1062 CD GLU A 68 -3.455 14.703 13.309 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -3.083 14.485 14.477 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -4.425 15.443 13.040 1.00 0.00 O ATOM 0 H GLU A 68 -4.105 10.295 11.248 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.890 12.537 13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.474 12.047 12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.539 12.175 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.639 14.210 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.995 14.526 11.228 1.00 0.00 H new ATOM 1071 N HIS A 69 -5.685 14.046 11.143 1.00 0.00 N ATOM 1072 CA HIS A 69 -6.541 14.727 10.176 1.00 0.00 C ATOM 1073 C HIS A 69 -5.721 15.330 9.040 1.00 0.00 C ATOM 1074 O HIS A 69 -6.270 15.700 7.999 1.00 0.00 O ATOM 1075 CB HIS A 69 -7.354 15.827 10.867 1.00 0.00 C ATOM 1076 CG HIS A 69 -8.132 15.352 12.056 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -9.358 14.735 11.961 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -7.848 15.414 13.378 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -9.794 14.443 13.171 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -8.897 14.842 14.049 1.00 0.00 N ATOM 0 H HIS A 69 -5.476 14.595 11.977 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.220 13.986 9.754 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.677 16.622 11.182 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.044 16.263 10.145 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.959 15.836 13.822 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.730 13.958 13.403 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.971 14.742 15.061 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.407 15.440 9.263 1.00 0.00 N ATOM 1090 CA HIS A 70 -3.466 15.946 8.259 1.00 0.00 C ATOM 1091 C HIS A 70 -3.610 17.459 8.071 1.00 0.00 C ATOM 1092 O HIS A 70 -2.737 18.215 8.493 1.00 0.00 O ATOM 1093 CB HIS A 70 -3.636 15.193 6.924 1.00 0.00 C ATOM 1094 CG HIS A 70 -2.772 15.691 5.801 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -1.395 15.602 5.800 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -3.107 16.274 4.626 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -0.924 16.112 4.676 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -1.941 16.524 3.948 1.00 0.00 N ATOM 0 H HIS A 70 -3.966 15.180 10.145 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.455 15.761 8.622 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.419 14.138 7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.680 15.260 6.617 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.107 16.500 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.118 16.180 4.401 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.873 16.959 3.028 1.00 0.00 H new ATOM 1107 N HIS A 71 -4.723 17.884 7.464 1.00 0.00 N ATOM 1108 CA HIS A 71 -4.953 19.292 7.105 1.00 0.00 C ATOM 1109 C HIS A 71 -3.964 19.744 6.032 1.00 0.00 C ATOM 1110 O HIS A 71 -2.946 19.091 5.801 1.00 0.00 O ATOM 1111 CB HIS A 71 -4.864 20.212 8.329 1.00 0.00 C ATOM 1112 CG HIS A 71 -5.982 20.035 9.304 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -5.830 19.394 10.513 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -7.274 20.438 9.255 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -6.975 19.412 11.166 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -7.865 20.038 10.424 1.00 0.00 N ATOM 0 H HIS A 71 -5.491 17.264 7.207 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.965 19.364 6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.918 20.030 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.850 21.248 7.992 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.749 20.974 8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.153 18.986 12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.839 20.199 10.679 1.00 0.00 H new ATOM 1125 N HIS A 72 -4.272 20.863 5.374 1.00 0.00 N ATOM 1126 CA HIS A 72 -3.458 21.358 4.259 1.00 0.00 C ATOM 1127 C HIS A 72 -3.406 20.318 3.147 1.00 0.00 C ATOM 1128 O HIS A 72 -4.224 19.398 3.106 1.00 0.00 O ATOM 1129 CB HIS A 72 -2.028 21.697 4.716 1.00 0.00 C ATOM 1130 CG HIS A 72 -1.924 22.928 5.562 1.00 0.00 C ATOM 1131 ND1 HIS A 72 -0.728 23.574 5.804 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -2.868 23.628 6.231 1.00 0.00 C ATOM 1133 CE1 HIS A 72 -0.945 24.616 6.585 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -2.234 24.670 6.855 1.00 0.00 N ATOM 0 H HIS A 72 -5.080 21.445 5.593 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.924 22.270 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.629 20.851 5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.398 21.822 3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.925 23.407 6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.195 25.306 6.942 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.687 25.375 7.436 1.00 0.00 H new ATOM 1143 N HIS A 73 -2.466 20.474 2.237 1.00 0.00 N ATOM 1144 CA HIS A 73 -2.252 19.479 1.205 1.00 0.00 C ATOM 1145 C HIS A 73 -0.881 18.850 1.396 1.00 0.00 C ATOM 1146 O HIS A 73 -0.763 17.642 1.603 1.00 0.00 O ATOM 1147 CB HIS A 73 -2.371 20.102 -0.186 1.00 0.00 C ATOM 1148 CG HIS A 73 -2.590 19.090 -1.264 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -1.683 18.838 -2.271 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -3.639 18.266 -1.492 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -2.167 17.904 -3.070 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -3.353 17.543 -2.619 1.00 0.00 N ATOM 0 H HIS A 73 -1.840 21.278 2.191 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.018 18.708 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.197 20.813 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.464 20.666 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.536 18.192 -0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.675 17.504 -3.944 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.959 16.839 -3.041 1.00 0.00 H new ATOM 1161 N HIS A 74 0.149 19.683 1.353 1.00 0.00 N ATOM 1162 CA HIS A 74 1.511 19.235 1.580 1.00 0.00 C ATOM 1163 C HIS A 74 2.373 20.426 1.978 1.00 0.00 C ATOM 1164 O HIS A 74 2.829 21.154 1.074 1.00 0.00 O ATOM 1165 CB HIS A 74 2.082 18.561 0.326 1.00 0.00 C ATOM 1166 CG HIS A 74 3.408 17.901 0.552 1.00 0.00 C ATOM 1167 ND1 HIS A 74 4.605 18.446 0.137 1.00 0.00 N ATOM 1168 CD2 HIS A 74 3.722 16.730 1.157 1.00 0.00 C ATOM 1169 CE1 HIS A 74 5.595 17.641 0.476 1.00 0.00 C ATOM 1170 NE2 HIS A 74 5.085 16.594 1.096 1.00 0.00 N ATOM 1171 OXT HIS A 74 2.574 20.636 3.189 1.00 0.00 O ATOM 0 H HIS A 74 0.063 20.681 1.161 1.00 0.00 H new ATOM 0 HA HIS A 74 1.511 18.500 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.371 17.816 -0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.186 19.307 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.028 16.034 1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.643 17.811 0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.619 15.809 1.470 1.00 0.00 H new TER 1180 HIS A 74