USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 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 -177:sc= 0 (180deg=-0.016) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0615 (180deg=-0.213) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.552! X(o=-0.55!,f=-0.052) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0421) USER MOD Single : A 25 ASN : amide:sc= 0.48 X(o=0.48,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.23) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.57 K(o=-1.6,f=-9.2!) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0236) USER MOD Single : A 42 CYS SG : rot 72:sc= 0.443 USER MOD Single : A 43 MET CE :methyl -144:sc= -0.0108 (180deg=-0.0431) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 0.515 (180deg=0.444) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.0401 (180deg=-0.515) USER MOD Single : A 46 THR OG1 : rot -23:sc= 1.16 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 50 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 131:sc= 0.999 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -45:sc= 0.946 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.831 K(o=0.83,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.696 -4.238 -12.490 1.00 0.00 N ATOM 2 CA MET A 1 -10.542 -4.749 -13.865 1.00 0.00 C ATOM 3 C MET A 1 -9.326 -5.676 -13.969 1.00 0.00 C ATOM 4 O MET A 1 -8.498 -5.727 -13.059 1.00 0.00 O ATOM 5 CB MET A 1 -10.469 -3.595 -14.877 1.00 0.00 C ATOM 6 CG MET A 1 -11.798 -2.827 -14.940 1.00 0.00 C ATOM 7 SD MET A 1 -11.909 -1.527 -16.196 1.00 0.00 S ATOM 8 CE MET A 1 -10.712 -0.334 -15.561 1.00 0.00 C ATOM 0 H1 MET A 1 -11.620 -4.531 -12.112 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.939 -4.623 -11.890 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.638 -3.200 -12.497 1.00 0.00 H new ATOM 0 HA MET A 1 -11.425 -5.339 -14.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.665 -2.914 -14.598 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.226 -3.988 -15.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.600 -3.544 -15.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.981 -2.377 -13.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.705 0.550 -16.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.988 -0.047 -14.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.719 -0.784 -15.553 1.00 0.00 H new ATOM 20 N GLY A 2 -9.256 -6.447 -15.057 1.00 0.00 N ATOM 21 CA GLY A 2 -8.204 -7.430 -15.268 1.00 0.00 C ATOM 22 C GLY A 2 -6.857 -6.750 -15.447 1.00 0.00 C ATOM 23 O GLY A 2 -5.884 -7.097 -14.781 1.00 0.00 O ATOM 0 H GLY A 2 -9.934 -6.402 -15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.162 -8.112 -14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.433 -8.031 -16.148 1.00 0.00 H new ATOM 27 N GLU A 3 -6.803 -5.774 -16.357 1.00 0.00 N ATOM 28 CA GLU A 3 -5.627 -4.953 -16.522 1.00 0.00 C ATOM 29 C GLU A 3 -5.341 -4.239 -15.210 1.00 0.00 C ATOM 30 O GLU A 3 -6.194 -3.550 -14.654 1.00 0.00 O ATOM 31 CB GLU A 3 -5.788 -3.949 -17.662 1.00 0.00 C ATOM 32 CG GLU A 3 -6.041 -4.667 -18.992 1.00 0.00 C ATOM 33 CD GLU A 3 -7.521 -4.685 -19.377 1.00 0.00 C ATOM 34 OE1 GLU A 3 -8.328 -5.149 -18.541 1.00 0.00 O ATOM 35 OE2 GLU A 3 -7.821 -4.225 -20.501 1.00 0.00 O ATOM 0 H GLU A 3 -7.570 -5.542 -16.988 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.786 -5.594 -16.787 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.617 -3.276 -17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.891 -3.335 -17.741 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.470 -4.176 -19.780 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.674 -5.691 -18.923 1.00 0.00 H new ATOM 42 N TRP A 4 -4.122 -4.447 -14.737 1.00 0.00 N ATOM 43 CA TRP A 4 -3.612 -3.847 -13.528 1.00 0.00 C ATOM 44 C TRP A 4 -3.658 -2.324 -13.650 1.00 0.00 C ATOM 45 O TRP A 4 -3.614 -1.771 -14.749 1.00 0.00 O ATOM 46 CB TRP A 4 -2.194 -4.347 -13.287 1.00 0.00 C ATOM 47 CG TRP A 4 -2.024 -5.806 -12.957 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.595 -6.881 -13.562 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.270 -6.349 -11.834 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.099 -8.037 -12.992 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.286 -7.769 -11.911 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.647 -5.776 -10.708 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.614 -8.576 -10.980 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.004 -6.570 -9.744 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.057 -7.967 -9.905 1.00 0.00 C ATOM 0 H TRP A 4 -3.447 -5.055 -15.201 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.228 -4.130 -12.674 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.604 -4.132 -14.178 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.765 -3.764 -12.472 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.321 -6.838 -14.361 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.309 -8.976 -13.330 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.664 -4.703 -10.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.612 -9.651 -11.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.445 -6.107 -8.877 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.617 -8.569 -9.205 1.00 0.00 H new ATOM 66 N GLU A 5 -3.762 -1.658 -12.504 1.00 0.00 N ATOM 67 CA GLU A 5 -3.990 -0.235 -12.377 1.00 0.00 C ATOM 68 C GLU A 5 -2.973 0.365 -11.411 1.00 0.00 C ATOM 69 O GLU A 5 -2.292 -0.347 -10.668 1.00 0.00 O ATOM 70 CB GLU A 5 -5.417 0.000 -11.872 1.00 0.00 C ATOM 71 CG GLU A 5 -6.486 -0.450 -12.884 1.00 0.00 C ATOM 72 CD GLU A 5 -7.460 0.673 -13.227 1.00 0.00 C ATOM 73 OE1 GLU A 5 -6.971 1.715 -13.716 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.671 0.474 -12.989 1.00 0.00 O ATOM 0 H GLU A 5 -3.685 -2.124 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.871 0.249 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.560 -0.538 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.551 1.060 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.999 -0.798 -13.795 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.038 -1.296 -12.475 1.00 0.00 H new ATOM 81 N ILE A 6 -2.880 1.693 -11.432 1.00 0.00 N ATOM 82 CA ILE A 6 -1.933 2.431 -10.620 1.00 0.00 C ATOM 83 C ILE A 6 -2.289 2.341 -9.136 1.00 0.00 C ATOM 84 O ILE A 6 -3.458 2.338 -8.754 1.00 0.00 O ATOM 85 CB ILE A 6 -1.802 3.889 -11.102 1.00 0.00 C ATOM 86 CG1 ILE A 6 -3.140 4.653 -11.071 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.189 3.911 -12.510 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.947 6.167 -11.196 1.00 0.00 C ATOM 0 H ILE A 6 -3.467 2.285 -12.019 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.953 1.969 -10.740 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.142 4.408 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.776 4.302 -11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.661 4.431 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.097 4.942 -12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.203 3.447 -12.485 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.832 3.359 -13.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.918 6.661 -11.169 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.335 6.525 -10.369 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.451 6.394 -12.140 1.00 0.00 H new ATOM 100 N ILE A 7 -1.251 2.283 -8.304 1.00 0.00 N ATOM 101 CA ILE A 7 -1.356 2.426 -6.861 1.00 0.00 C ATOM 102 C ILE A 7 -1.778 3.862 -6.506 1.00 0.00 C ATOM 103 O ILE A 7 -2.607 4.072 -5.630 1.00 0.00 O ATOM 104 CB ILE A 7 -0.028 1.994 -6.211 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.047 2.094 -4.672 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.160 2.792 -6.757 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.040 0.721 -4.002 1.00 0.00 C ATOM 0 H ILE A 7 -0.295 2.132 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.132 1.774 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 7 0.092 0.944 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.787 2.712 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.961 2.594 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.077 2.457 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.240 2.636 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.010 3.852 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.023 0.843 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.808 0.111 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.967 0.230 -4.297 1.00 0.00 H new ATOM 119 N ASP A 8 -1.210 4.857 -7.197 1.00 0.00 N ATOM 120 CA ASP A 8 -1.440 6.276 -6.939 1.00 0.00 C ATOM 121 C ASP A 8 -0.912 6.699 -5.555 1.00 0.00 C ATOM 122 O ASP A 8 -0.528 5.871 -4.725 1.00 0.00 O ATOM 123 CB ASP A 8 -2.930 6.625 -7.146 1.00 0.00 C ATOM 124 CG ASP A 8 -3.211 8.100 -7.435 1.00 0.00 C ATOM 125 OD1 ASP A 8 -2.240 8.887 -7.492 1.00 0.00 O ATOM 126 OD2 ASP A 8 -4.408 8.414 -7.610 1.00 0.00 O ATOM 0 H ASP A 8 -0.563 4.690 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.868 6.856 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.317 6.028 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.484 6.332 -6.254 1.00 0.00 H new ATOM 131 N ILE A 9 -0.845 8.009 -5.324 1.00 0.00 N ATOM 132 CA ILE A 9 -0.405 8.626 -4.081 1.00 0.00 C ATOM 133 C ILE A 9 -1.638 8.989 -3.243 1.00 0.00 C ATOM 134 O ILE A 9 -2.771 8.887 -3.710 1.00 0.00 O ATOM 135 CB ILE A 9 0.489 9.839 -4.425 1.00 0.00 C ATOM 136 CG1 ILE A 9 1.645 9.441 -5.364 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.068 10.552 -3.193 1.00 0.00 C ATOM 138 CD1 ILE A 9 2.549 8.344 -4.788 1.00 0.00 C ATOM 0 H ILE A 9 -1.108 8.696 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 9 0.196 7.946 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.176 10.541 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.231 9.099 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.249 10.323 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.684 11.392 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.253 10.918 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.678 9.853 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.341 8.113 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.991 8.690 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.958 7.448 -4.599 1.00 0.00 H new ATOM 150 N GLY A 10 -1.419 9.399 -1.993 1.00 0.00 N ATOM 151 CA GLY A 10 -2.475 9.817 -1.086 1.00 0.00 C ATOM 152 C GLY A 10 -2.982 8.623 -0.271 1.00 0.00 C ATOM 153 O GLY A 10 -2.173 7.767 0.100 1.00 0.00 O ATOM 0 H GLY A 10 -0.487 9.449 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.102 10.591 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.297 10.255 -1.652 1.00 0.00 H new ATOM 157 N PRO A 11 -4.291 8.555 0.036 1.00 0.00 N ATOM 158 CA PRO A 11 -4.858 7.568 0.947 1.00 0.00 C ATOM 159 C PRO A 11 -4.980 6.210 0.250 1.00 0.00 C ATOM 160 O PRO A 11 -6.075 5.707 0.014 1.00 0.00 O ATOM 161 CB PRO A 11 -6.215 8.151 1.359 1.00 0.00 C ATOM 162 CG PRO A 11 -6.645 8.917 0.109 1.00 0.00 C ATOM 163 CD PRO A 11 -5.323 9.478 -0.416 1.00 0.00 C ATOM 0 HA PRO A 11 -4.236 7.384 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.929 7.370 1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.128 8.806 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.125 8.264 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.356 9.709 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.334 9.550 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.145 10.482 -0.032 1.00 0.00 H new ATOM 171 N PHE A 12 -3.834 5.619 -0.092 1.00 0.00 N ATOM 172 CA PHE A 12 -3.746 4.363 -0.806 1.00 0.00 C ATOM 173 C PHE A 12 -2.378 3.757 -0.491 1.00 0.00 C ATOM 174 O PHE A 12 -2.283 2.869 0.352 1.00 0.00 O ATOM 175 CB PHE A 12 -4.023 4.608 -2.299 1.00 0.00 C ATOM 176 CG PHE A 12 -4.388 3.402 -3.144 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.544 2.276 -3.187 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.391 3.550 -4.125 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.620 1.383 -4.266 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.458 2.662 -5.210 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.529 1.617 -5.311 1.00 0.00 C ATOM 0 H PHE A 12 -2.922 6.019 0.130 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.498 3.638 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.833 5.333 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.138 5.071 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.838 2.100 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.111 4.351 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.979 0.514 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.222 2.783 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.512 0.992 -6.192 1.00 0.00 H new ATOM 191 N THR A 13 -1.305 4.269 -1.107 1.00 0.00 N ATOM 192 CA THR A 13 0.045 3.775 -0.859 1.00 0.00 C ATOM 193 C THR A 13 0.359 3.898 0.633 1.00 0.00 C ATOM 194 O THR A 13 0.753 2.935 1.291 1.00 0.00 O ATOM 195 CB THR A 13 1.055 4.503 -1.769 1.00 0.00 C ATOM 196 OG1 THR A 13 2.334 3.912 -1.656 1.00 0.00 O ATOM 197 CG2 THR A 13 1.204 6.005 -1.499 1.00 0.00 C ATOM 0 H THR A 13 -1.352 5.030 -1.784 1.00 0.00 H new ATOM 0 HA THR A 13 0.122 2.718 -1.114 1.00 0.00 H new ATOM 0 HB THR A 13 0.643 4.397 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.965 4.383 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.935 6.428 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.242 6.498 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.540 6.159 -0.474 1.00 0.00 H new ATOM 205 N GLN A 14 0.106 5.087 1.183 1.00 0.00 N ATOM 206 CA GLN A 14 0.325 5.379 2.583 1.00 0.00 C ATOM 207 C GLN A 14 -0.617 4.549 3.449 1.00 0.00 C ATOM 208 O GLN A 14 -0.186 3.984 4.446 1.00 0.00 O ATOM 209 CB GLN A 14 0.156 6.885 2.808 1.00 0.00 C ATOM 210 CG GLN A 14 1.525 7.567 2.927 1.00 0.00 C ATOM 211 CD GLN A 14 1.402 9.083 2.832 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.261 9.768 3.838 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.459 9.621 1.617 1.00 0.00 N ATOM 0 H GLN A 14 -0.261 5.878 0.654 1.00 0.00 H new ATOM 0 HA GLN A 14 1.339 5.106 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.404 7.322 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.424 7.061 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.986 7.297 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.184 7.204 2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.577 9.023 0.799 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.385 10.632 1.503 1.00 0.00 H new ATOM 222 N ASN A 15 -1.893 4.460 3.068 1.00 0.00 N ATOM 223 CA ASN A 15 -2.884 3.695 3.817 1.00 0.00 C ATOM 224 C ASN A 15 -2.432 2.247 4.000 1.00 0.00 C ATOM 225 O ASN A 15 -2.524 1.695 5.095 1.00 0.00 O ATOM 226 CB ASN A 15 -4.239 3.734 3.101 1.00 0.00 C ATOM 227 CG ASN A 15 -5.421 3.418 4.020 1.00 0.00 C ATOM 228 OD1 ASN A 15 -6.487 4.000 3.861 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.275 2.519 4.993 1.00 0.00 N ATOM 0 H ASN A 15 -2.264 4.915 2.234 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.988 4.150 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.382 4.722 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.227 3.020 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.056 2.309 5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.383 2.041 5.116 1.00 0.00 H new ATOM 236 N LEU A 16 -1.983 1.623 2.913 1.00 0.00 N ATOM 237 CA LEU A 16 -1.501 0.250 2.929 1.00 0.00 C ATOM 238 C LEU A 16 -0.182 0.161 3.695 1.00 0.00 C ATOM 239 O LEU A 16 -0.028 -0.739 4.519 1.00 0.00 O ATOM 240 CB LEU A 16 -1.363 -0.262 1.494 1.00 0.00 C ATOM 241 CG LEU A 16 -2.696 -0.355 0.727 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.392 -0.601 -0.751 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.591 -1.469 1.271 1.00 0.00 C ATOM 0 H LEU A 16 -1.945 2.061 1.993 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.220 -0.386 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.688 0.397 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.899 -1.248 1.515 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.237 0.582 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.326 -0.669 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.796 0.224 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.837 -1.533 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.520 -1.500 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.077 -2.426 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.814 -1.277 2.320 1.00 0.00 H new ATOM 255 N ALA A 17 0.765 1.075 3.457 1.00 0.00 N ATOM 256 CA ALA A 17 2.017 1.086 4.206 1.00 0.00 C ATOM 257 C ALA A 17 1.734 1.104 5.714 1.00 0.00 C ATOM 258 O ALA A 17 2.257 0.277 6.465 1.00 0.00 O ATOM 259 CB ALA A 17 2.865 2.287 3.781 1.00 0.00 C ATOM 0 H ALA A 17 0.685 1.811 2.755 1.00 0.00 H new ATOM 0 HA ALA A 17 2.579 0.178 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.799 2.290 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.084 2.219 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.318 3.208 3.981 1.00 0.00 H new ATOM 265 N LYS A 18 0.867 2.025 6.142 1.00 0.00 N ATOM 266 CA LYS A 18 0.408 2.080 7.516 1.00 0.00 C ATOM 267 C LYS A 18 -0.259 0.768 7.916 1.00 0.00 C ATOM 268 O LYS A 18 0.061 0.264 8.984 1.00 0.00 O ATOM 269 CB LYS A 18 -0.513 3.284 7.787 1.00 0.00 C ATOM 270 CG LYS A 18 0.142 4.341 8.689 1.00 0.00 C ATOM 271 CD LYS A 18 0.533 3.765 10.063 1.00 0.00 C ATOM 272 CE LYS A 18 0.714 4.857 11.123 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.578 5.413 11.564 1.00 0.00 N ATOM 0 H LYS A 18 0.470 2.747 5.542 1.00 0.00 H new ATOM 0 HA LYS A 18 1.290 2.223 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.791 3.744 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.434 2.934 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.030 4.738 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.546 5.175 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.235 3.066 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.459 3.199 9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.244 4.445 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.334 5.657 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.429 6.021 12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.995 5.974 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.223 4.636 11.815 1.00 0.00 H new ATOM 287 N PHE A 19 -1.163 0.209 7.098 1.00 0.00 N ATOM 288 CA PHE A 19 -1.778 -1.083 7.403 1.00 0.00 C ATOM 289 C PHE A 19 -0.700 -2.099 7.773 1.00 0.00 C ATOM 290 O PHE A 19 -0.793 -2.711 8.831 1.00 0.00 O ATOM 291 CB PHE A 19 -2.662 -1.595 6.252 1.00 0.00 C ATOM 292 CG PHE A 19 -3.524 -2.830 6.525 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.290 -2.940 7.705 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.671 -3.817 5.526 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.186 -4.012 7.878 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.574 -4.886 5.699 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.358 -4.971 6.862 1.00 0.00 C ATOM 0 H PHE A 19 -1.480 0.632 6.226 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.439 -0.945 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.323 -0.783 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.016 -1.816 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.188 -2.196 8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.086 -3.752 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.746 -4.099 8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.664 -5.643 4.934 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.084 -5.763 6.975 1.00 0.00 H new ATOM 307 N ALA A 20 0.346 -2.241 6.949 1.00 0.00 N ATOM 308 CA ALA A 20 1.429 -3.179 7.258 1.00 0.00 C ATOM 309 C ALA A 20 1.940 -2.995 8.689 1.00 0.00 C ATOM 310 O ALA A 20 1.909 -3.929 9.491 1.00 0.00 O ATOM 311 CB ALA A 20 2.609 -3.086 6.281 1.00 0.00 C ATOM 0 H ALA A 20 0.464 -1.726 6.076 1.00 0.00 H new ATOM 0 HA ALA A 20 0.989 -4.171 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.375 -3.807 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.263 -3.305 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.028 -2.080 6.311 1.00 0.00 H new ATOM 317 N VAL A 21 2.442 -1.793 8.992 1.00 0.00 N ATOM 318 CA VAL A 21 3.117 -1.531 10.254 1.00 0.00 C ATOM 319 C VAL A 21 2.107 -1.580 11.406 1.00 0.00 C ATOM 320 O VAL A 21 2.326 -2.284 12.382 1.00 0.00 O ATOM 321 CB VAL A 21 3.876 -0.189 10.193 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.590 0.104 11.523 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.949 -0.163 9.092 1.00 0.00 C ATOM 0 H VAL A 21 2.389 -0.985 8.371 1.00 0.00 H new ATOM 0 HA VAL A 21 3.861 -2.306 10.437 1.00 0.00 H new ATOM 0 HB VAL A 21 3.116 0.562 9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.117 1.056 11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.855 0.155 12.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.305 -0.691 11.735 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.451 0.805 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.679 -0.951 9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.479 -0.324 8.122 1.00 0.00 H new ATOM 333 N ASP A 22 0.997 -0.846 11.305 1.00 0.00 N ATOM 334 CA ASP A 22 -0.063 -0.807 12.310 1.00 0.00 C ATOM 335 C ASP A 22 -0.552 -2.213 12.643 1.00 0.00 C ATOM 336 O ASP A 22 -0.609 -2.604 13.809 1.00 0.00 O ATOM 337 CB ASP A 22 -1.236 0.039 11.796 1.00 0.00 C ATOM 338 CG ASP A 22 -2.406 0.016 12.775 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.372 0.836 13.717 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.309 -0.822 12.563 1.00 0.00 O ATOM 0 H ASP A 22 0.807 -0.248 10.501 1.00 0.00 H new ATOM 0 HA ASP A 22 0.342 -0.359 13.217 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.907 1.067 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.562 -0.338 10.827 1.00 0.00 H new ATOM 345 N GLU A 23 -0.929 -2.963 11.609 1.00 0.00 N ATOM 346 CA GLU A 23 -1.499 -4.281 11.784 1.00 0.00 C ATOM 347 C GLU A 23 -0.456 -5.228 12.359 1.00 0.00 C ATOM 348 O GLU A 23 -0.750 -6.019 13.254 1.00 0.00 O ATOM 349 CB GLU A 23 -2.064 -4.784 10.457 1.00 0.00 C ATOM 350 CG GLU A 23 -3.202 -5.751 10.747 1.00 0.00 C ATOM 351 CD GLU A 23 -3.762 -6.422 9.496 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.012 -6.514 8.501 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.940 -6.840 9.561 1.00 0.00 O ATOM 0 H GLU A 23 -0.845 -2.669 10.636 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.324 -4.234 12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.423 -3.947 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.285 -5.280 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.849 -6.519 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.005 -5.214 11.253 1.00 0.00 H new ATOM 360 N GLU A 24 0.782 -5.128 11.875 1.00 0.00 N ATOM 361 CA GLU A 24 1.879 -5.795 12.552 1.00 0.00 C ATOM 362 C GLU A 24 1.876 -5.423 14.035 1.00 0.00 C ATOM 363 O GLU A 24 1.981 -6.301 14.881 1.00 0.00 O ATOM 364 CB GLU A 24 3.212 -5.463 11.877 1.00 0.00 C ATOM 365 CG GLU A 24 4.403 -5.919 12.727 1.00 0.00 C ATOM 366 CD GLU A 24 5.090 -4.806 13.540 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.486 -3.735 13.761 1.00 0.00 O ATOM 368 OE2 GLU A 24 6.259 -5.042 13.912 1.00 0.00 O ATOM 0 H GLU A 24 1.041 -4.605 11.039 1.00 0.00 H new ATOM 0 HA GLU A 24 1.746 -6.874 12.479 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.256 -5.944 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.276 -4.388 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.063 -6.693 13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.143 -6.378 12.071 1.00 0.00 H new ATOM 375 N ASN A 25 1.768 -4.138 14.359 1.00 0.00 N ATOM 376 CA ASN A 25 1.955 -3.652 15.716 1.00 0.00 C ATOM 377 C ASN A 25 0.901 -4.227 16.653 1.00 0.00 C ATOM 378 O ASN A 25 1.228 -4.712 17.732 1.00 0.00 O ATOM 379 CB ASN A 25 1.956 -2.116 15.747 1.00 0.00 C ATOM 380 CG ASN A 25 3.133 -1.587 16.555 1.00 0.00 C ATOM 381 OD1 ASN A 25 2.958 -0.967 17.598 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.347 -1.824 16.064 1.00 0.00 N ATOM 0 H ASN A 25 1.548 -3.405 13.684 1.00 0.00 H new ATOM 0 HA ASN A 25 2.928 -3.993 16.070 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.005 -1.728 14.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.022 -1.757 16.180 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.172 -1.486 16.559 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.452 -2.344 15.193 1.00 0.00 H new ATOM 389 N LYS A 26 -0.368 -4.183 16.236 1.00 0.00 N ATOM 390 CA LYS A 26 -1.458 -4.707 17.053 1.00 0.00 C ATOM 391 C LYS A 26 -1.439 -6.245 17.159 1.00 0.00 C ATOM 392 O LYS A 26 -2.015 -6.780 18.103 1.00 0.00 O ATOM 393 CB LYS A 26 -2.804 -4.129 16.586 1.00 0.00 C ATOM 394 CG LYS A 26 -3.079 -4.391 15.104 1.00 0.00 C ATOM 395 CD LYS A 26 -4.327 -5.242 14.866 1.00 0.00 C ATOM 396 CE LYS A 26 -5.598 -4.390 14.886 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.783 -5.207 14.572 1.00 0.00 N ATOM 0 H LYS A 26 -0.661 -3.791 15.341 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.308 -4.368 18.078 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.607 -4.563 17.182 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.816 -3.054 16.769 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.193 -3.438 14.588 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.216 -4.891 14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.244 -5.751 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.393 -6.015 15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.717 -3.931 15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.508 -3.579 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.633 -4.608 14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.676 -5.625 13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.878 -5.966 15.277 1.00 0.00 H new ATOM 411 N ILE A 27 -0.809 -6.960 16.214 1.00 0.00 N ATOM 412 CA ILE A 27 -0.804 -8.426 16.177 1.00 0.00 C ATOM 413 C ILE A 27 0.523 -9.023 16.677 1.00 0.00 C ATOM 414 O ILE A 27 0.538 -9.813 17.618 1.00 0.00 O ATOM 415 CB ILE A 27 -1.163 -8.900 14.755 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.617 -8.507 14.439 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.967 -10.412 14.617 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.065 -8.913 13.033 1.00 0.00 C ATOM 0 H ILE A 27 -0.286 -6.532 15.450 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.561 -8.794 16.869 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.498 -8.416 14.040 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.278 -8.971 15.171 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.726 -7.428 14.550 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.227 -10.722 13.605 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.074 -10.664 14.817 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.609 -10.929 15.331 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.099 -8.606 12.878 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.427 -8.428 12.294 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.988 -9.995 12.925 1.00 0.00 H new ATOM 430 N GLY A 28 1.632 -8.711 16.006 1.00 0.00 N ATOM 431 CA GLY A 28 2.972 -9.143 16.378 1.00 0.00 C ATOM 432 C GLY A 28 3.218 -10.638 16.162 1.00 0.00 C ATOM 433 O GLY A 28 3.734 -11.308 17.051 1.00 0.00 O ATOM 0 H GLY A 28 1.618 -8.134 15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.701 -8.576 15.799 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.143 -8.903 17.427 1.00 0.00 H new ATOM 437 N GLN A 29 2.887 -11.166 14.975 1.00 0.00 N ATOM 438 CA GLN A 29 3.293 -12.516 14.577 1.00 0.00 C ATOM 439 C GLN A 29 4.674 -12.489 13.916 1.00 0.00 C ATOM 440 O GLN A 29 5.569 -13.226 14.315 1.00 0.00 O ATOM 441 CB GLN A 29 2.255 -13.167 13.644 1.00 0.00 C ATOM 442 CG GLN A 29 0.938 -13.579 14.321 1.00 0.00 C ATOM 443 CD GLN A 29 1.126 -14.490 15.529 1.00 0.00 C ATOM 444 OE1 GLN A 29 1.078 -15.709 15.410 1.00 0.00 O ATOM 445 NE2 GLN A 29 1.327 -13.906 16.707 1.00 0.00 N ATOM 0 H GLN A 29 2.336 -10.673 14.272 1.00 0.00 H new ATOM 0 HA GLN A 29 3.351 -13.125 15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.028 -12.471 12.836 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.703 -14.050 13.188 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.405 -12.681 14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.308 -14.086 13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.362 -12.889 16.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.446 -14.475 17.545 1.00 0.00 H new ATOM 454 N TYR A 30 4.825 -11.665 12.876 1.00 0.00 N ATOM 455 CA TYR A 30 6.024 -11.620 12.041 1.00 0.00 C ATOM 456 C TYR A 30 6.962 -10.502 12.495 1.00 0.00 C ATOM 457 O TYR A 30 8.141 -10.744 12.738 1.00 0.00 O ATOM 458 CB TYR A 30 5.635 -11.513 10.555 1.00 0.00 C ATOM 459 CG TYR A 30 4.453 -10.612 10.237 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.142 -11.125 10.296 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.655 -9.271 9.872 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.043 -10.279 10.069 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.557 -8.431 9.630 1.00 0.00 C ATOM 464 CZ TYR A 30 2.251 -8.930 9.741 1.00 0.00 C ATOM 465 OH TYR A 30 1.187 -8.102 9.540 1.00 0.00 O ATOM 0 H TYR A 30 4.106 -11.001 12.588 1.00 0.00 H new ATOM 0 HA TYR A 30 6.579 -12.551 12.158 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.500 -11.153 9.999 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.413 -12.514 10.186 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.981 -12.170 10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.659 -8.885 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.038 -10.667 10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.718 -7.398 9.358 1.00 0.00 H new ATOM 0 HH TYR A 30 1.509 -7.202 9.322 1.00 0.00 H new ATOM 475 N GLY A 31 6.437 -9.279 12.620 1.00 0.00 N ATOM 476 CA GLY A 31 7.226 -8.117 12.997 1.00 0.00 C ATOM 477 C GLY A 31 7.699 -7.397 11.737 1.00 0.00 C ATOM 478 O GLY A 31 8.255 -8.022 10.838 1.00 0.00 O ATOM 0 H GLY A 31 5.451 -9.074 12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.630 -7.443 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.082 -8.424 13.597 1.00 0.00 H new ATOM 482 N ARG A 32 7.482 -6.081 11.639 1.00 0.00 N ATOM 483 CA ARG A 32 7.727 -5.314 10.424 1.00 0.00 C ATOM 484 C ARG A 32 9.198 -4.924 10.338 1.00 0.00 C ATOM 485 O ARG A 32 9.531 -3.800 9.968 1.00 0.00 O ATOM 486 CB ARG A 32 6.777 -4.103 10.346 1.00 0.00 C ATOM 487 CG ARG A 32 6.228 -3.812 8.939 1.00 0.00 C ATOM 488 CD ARG A 32 7.226 -3.249 7.914 1.00 0.00 C ATOM 489 NE ARG A 32 7.763 -4.291 7.023 1.00 0.00 N ATOM 490 CZ ARG A 32 7.119 -4.779 5.949 1.00 0.00 C ATOM 491 NH1 ARG A 32 5.876 -4.376 5.662 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.710 -5.687 5.166 1.00 0.00 N ATOM 0 H ARG A 32 7.128 -5.517 12.412 1.00 0.00 H new ATOM 0 HA ARG A 32 7.510 -5.932 9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.938 -4.271 11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.304 -3.220 10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.812 -4.736 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.403 -3.106 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.735 -2.481 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.049 -2.765 8.440 1.00 0.00 H new ATOM 0 HE ARG A 32 8.687 -4.668 7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.410 -3.694 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.394 -4.751 4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.652 -6.011 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.219 -6.055 4.352 1.00 0.00 H new ATOM 506 N LEU A 33 10.079 -5.872 10.671 1.00 0.00 N ATOM 507 CA LEU A 33 11.508 -5.638 10.759 1.00 0.00 C ATOM 508 C LEU A 33 11.724 -4.313 11.502 1.00 0.00 C ATOM 509 O LEU A 33 11.268 -4.163 12.633 1.00 0.00 O ATOM 510 CB LEU A 33 12.118 -5.694 9.355 1.00 0.00 C ATOM 511 CG LEU A 33 12.000 -7.032 8.600 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.707 -8.174 9.337 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.577 -7.456 8.221 1.00 0.00 C ATOM 0 H LEU A 33 9.809 -6.831 10.888 1.00 0.00 H new ATOM 0 HA LEU A 33 12.025 -6.409 11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.648 -4.919 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.175 -5.440 9.433 1.00 0.00 H new ATOM 0 HG LEU A 33 12.509 -6.832 7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.597 -9.097 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.766 -7.937 9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.262 -8.301 10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.610 -8.410 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.976 -7.560 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.132 -6.700 7.574 1.00 0.00 H new ATOM 525 N THR A 34 12.407 -3.361 10.870 1.00 0.00 N ATOM 526 CA THR A 34 12.427 -1.974 11.289 1.00 0.00 C ATOM 527 C THR A 34 12.044 -1.108 10.084 1.00 0.00 C ATOM 528 O THR A 34 12.175 -1.547 8.936 1.00 0.00 O ATOM 529 CB THR A 34 13.796 -1.625 11.886 1.00 0.00 C ATOM 530 OG1 THR A 34 13.749 -0.334 12.458 1.00 0.00 O ATOM 531 CG2 THR A 34 14.937 -1.686 10.863 1.00 0.00 C ATOM 0 H THR A 34 12.970 -3.542 10.039 1.00 0.00 H new ATOM 0 HA THR A 34 11.702 -1.784 12.080 1.00 0.00 H new ATOM 0 HB THR A 34 14.008 -2.378 12.645 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.624 -0.114 12.840 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.877 -1.428 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.005 -2.694 10.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.741 -0.979 10.057 1.00 0.00 H new ATOM 539 N PHE A 35 11.554 0.104 10.366 1.00 0.00 N ATOM 540 CA PHE A 35 11.322 1.198 9.426 1.00 0.00 C ATOM 541 C PHE A 35 12.382 1.247 8.316 1.00 0.00 C ATOM 542 O PHE A 35 13.472 1.782 8.512 1.00 0.00 O ATOM 543 CB PHE A 35 11.264 2.528 10.207 1.00 0.00 C ATOM 544 CG PHE A 35 9.998 3.327 9.986 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.788 2.874 10.541 1.00 0.00 C ATOM 546 CD2 PHE A 35 10.036 4.553 9.293 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.621 3.645 10.410 1.00 0.00 C ATOM 548 CE2 PHE A 35 8.870 5.328 9.171 1.00 0.00 C ATOM 549 CZ PHE A 35 7.662 4.875 9.731 1.00 0.00 C ATOM 0 H PHE A 35 11.293 0.360 11.318 1.00 0.00 H new ATOM 0 HA PHE A 35 10.369 1.028 8.925 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.364 2.315 11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.120 3.140 9.923 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.756 1.932 11.069 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.961 4.897 8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.691 3.292 10.831 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.902 6.272 8.647 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.767 5.472 9.639 1.00 0.00 H new ATOM 559 N ASN A 36 12.056 0.677 7.155 1.00 0.00 N ATOM 560 CA ASN A 36 12.880 0.640 5.967 1.00 0.00 C ATOM 561 C ASN A 36 12.301 1.636 4.956 1.00 0.00 C ATOM 562 O ASN A 36 12.242 2.826 5.253 1.00 0.00 O ATOM 563 CB ASN A 36 12.919 -0.810 5.469 1.00 0.00 C ATOM 564 CG ASN A 36 11.517 -1.402 5.297 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.974 -1.412 4.200 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.905 -1.875 6.382 1.00 0.00 N ATOM 0 H ASN A 36 11.161 0.207 7.021 1.00 0.00 H new ATOM 0 HA ASN A 36 13.911 0.942 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.448 -0.851 4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.484 -1.419 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.962 -2.257 6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.380 -1.855 7.285 1.00 0.00 H new ATOM 573 N LYS A 37 11.856 1.178 3.782 1.00 0.00 N ATOM 574 CA LYS A 37 11.272 2.015 2.748 1.00 0.00 C ATOM 575 C LYS A 37 10.518 1.116 1.764 1.00 0.00 C ATOM 576 O LYS A 37 10.878 -0.046 1.588 1.00 0.00 O ATOM 577 CB LYS A 37 12.380 2.825 2.055 1.00 0.00 C ATOM 578 CG LYS A 37 11.811 4.030 1.300 1.00 0.00 C ATOM 579 CD LYS A 37 12.953 4.923 0.797 1.00 0.00 C ATOM 580 CE LYS A 37 12.426 6.248 0.234 1.00 0.00 C ATOM 581 NZ LYS A 37 11.531 6.044 -0.919 1.00 0.00 N ATOM 0 H LYS A 37 11.896 0.192 3.525 1.00 0.00 H new ATOM 0 HA LYS A 37 10.566 2.727 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.100 3.168 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.921 2.182 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.207 3.690 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.153 4.602 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.646 5.124 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.515 4.397 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.891 6.787 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.267 6.874 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.266 6.966 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.020 5.479 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.674 5.542 -0.609 1.00 0.00 H new ATOM 595 N VAL A 38 9.474 1.649 1.126 1.00 0.00 N ATOM 596 CA VAL A 38 8.710 0.966 0.090 1.00 0.00 C ATOM 597 C VAL A 38 9.144 1.521 -1.266 1.00 0.00 C ATOM 598 O VAL A 38 9.307 2.733 -1.403 1.00 0.00 O ATOM 599 CB VAL A 38 7.201 1.109 0.376 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.724 2.569 0.429 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.343 0.341 -0.635 1.00 0.00 C ATOM 0 H VAL A 38 9.132 2.589 1.323 1.00 0.00 H new ATOM 0 HA VAL A 38 8.907 -0.106 0.080 1.00 0.00 H new ATOM 0 HB VAL A 38 7.069 0.674 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.654 2.595 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.258 3.098 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.922 3.051 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.289 0.472 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.534 0.722 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.595 -0.719 -0.595 1.00 0.00 H new ATOM 611 N ILE A 39 9.376 0.647 -2.252 1.00 0.00 N ATOM 612 CA ILE A 39 9.749 1.100 -3.590 1.00 0.00 C ATOM 613 C ILE A 39 8.496 1.584 -4.323 1.00 0.00 C ATOM 614 O ILE A 39 7.385 1.165 -4.000 1.00 0.00 O ATOM 615 CB ILE A 39 10.526 0.016 -4.363 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.656 -1.185 -4.765 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.721 -0.461 -3.526 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.080 -1.063 -6.181 1.00 0.00 C ATOM 0 H ILE A 39 9.312 -0.366 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 39 10.437 1.942 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 39 10.870 0.475 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.251 -2.096 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.837 -1.287 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.268 -1.227 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.382 0.381 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.363 -0.876 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.475 -1.942 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.459 -0.169 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.896 -0.991 -6.901 1.00 0.00 H new ATOM 630 N ARG A 40 8.660 2.473 -5.304 1.00 0.00 N ATOM 631 CA ARG A 40 7.575 3.041 -6.084 1.00 0.00 C ATOM 632 C ARG A 40 8.067 3.211 -7.524 1.00 0.00 C ATOM 633 O ARG A 40 9.274 3.363 -7.715 1.00 0.00 O ATOM 634 CB ARG A 40 7.149 4.390 -5.481 1.00 0.00 C ATOM 635 CG ARG A 40 6.500 4.217 -4.103 1.00 0.00 C ATOM 636 CD ARG A 40 6.029 5.563 -3.547 1.00 0.00 C ATOM 637 NE ARG A 40 5.685 5.431 -2.126 1.00 0.00 N ATOM 638 CZ ARG A 40 5.715 6.429 -1.233 1.00 0.00 C ATOM 639 NH1 ARG A 40 5.841 7.697 -1.640 1.00 0.00 N ATOM 640 NH2 ARG A 40 5.629 6.146 0.070 1.00 0.00 N ATOM 0 H ARG A 40 9.578 2.823 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 40 6.705 2.385 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.019 5.040 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.448 4.884 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.654 3.534 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.214 3.765 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.813 6.310 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.162 5.913 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 40 5.402 4.509 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.915 7.908 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.863 8.453 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.541 5.177 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.651 6.899 0.758 1.00 0.00 H new ATOM 654 N PRO A 41 7.175 3.206 -8.527 1.00 0.00 N ATOM 655 CA PRO A 41 5.741 2.984 -8.404 1.00 0.00 C ATOM 656 C PRO A 41 5.432 1.506 -8.138 1.00 0.00 C ATOM 657 O PRO A 41 6.124 0.618 -8.630 1.00 0.00 O ATOM 658 CB PRO A 41 5.151 3.452 -9.738 1.00 0.00 C ATOM 659 CG PRO A 41 6.279 3.173 -10.732 1.00 0.00 C ATOM 660 CD PRO A 41 7.541 3.447 -9.912 1.00 0.00 C ATOM 0 HA PRO A 41 5.313 3.529 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.244 2.903 -9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.887 4.509 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.250 2.146 -11.096 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.217 3.823 -11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.357 2.793 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.884 4.472 -10.053 1.00 0.00 H new ATOM 668 N CYS A 42 4.394 1.259 -7.336 1.00 0.00 N ATOM 669 CA CYS A 42 3.804 -0.061 -7.113 1.00 0.00 C ATOM 670 C CYS A 42 2.578 -0.204 -8.026 1.00 0.00 C ATOM 671 O CYS A 42 2.305 0.698 -8.819 1.00 0.00 O ATOM 672 CB CYS A 42 3.465 -0.233 -5.627 1.00 0.00 C ATOM 673 SG CYS A 42 4.958 -0.660 -4.695 1.00 0.00 S ATOM 0 H CYS A 42 3.927 1.996 -6.808 1.00 0.00 H new ATOM 0 HA CYS A 42 4.506 -0.855 -7.366 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.033 0.688 -5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.715 -1.014 -5.505 1.00 0.00 H new ATOM 0 HG CYS A 42 5.736 0.379 -4.622 1.00 0.00 H new ATOM 679 N MET A 43 1.844 -1.320 -7.954 1.00 0.00 N ATOM 680 CA MET A 43 0.807 -1.643 -8.931 1.00 0.00 C ATOM 681 C MET A 43 -0.305 -2.455 -8.252 1.00 0.00 C ATOM 682 O MET A 43 -0.036 -3.230 -7.335 1.00 0.00 O ATOM 683 CB MET A 43 1.470 -2.409 -10.088 1.00 0.00 C ATOM 684 CG MET A 43 0.644 -2.416 -11.383 1.00 0.00 C ATOM 685 SD MET A 43 1.318 -1.502 -12.797 1.00 0.00 S ATOM 686 CE MET A 43 1.193 0.194 -12.204 1.00 0.00 C ATOM 0 H MET A 43 1.954 -2.019 -7.220 1.00 0.00 H new ATOM 0 HA MET A 43 0.341 -0.743 -9.332 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.445 -1.966 -10.293 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.647 -3.438 -9.776 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.501 -3.453 -11.687 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.342 -2.011 -11.157 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.940 0.852 -13.035 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.416 0.257 -11.442 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.147 0.501 -11.776 1.00 0.00 H new ATOM 696 N LYS A 44 -1.554 -2.271 -8.684 1.00 0.00 N ATOM 697 CA LYS A 44 -2.699 -3.032 -8.174 1.00 0.00 C ATOM 698 C LYS A 44 -3.434 -3.765 -9.295 1.00 0.00 C ATOM 699 O LYS A 44 -3.192 -3.491 -10.465 1.00 0.00 O ATOM 700 CB LYS A 44 -3.644 -2.123 -7.371 1.00 0.00 C ATOM 701 CG LYS A 44 -4.607 -1.253 -8.197 1.00 0.00 C ATOM 702 CD LYS A 44 -5.958 -1.157 -7.471 1.00 0.00 C ATOM 703 CE LYS A 44 -6.952 -0.294 -8.253 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.176 -0.050 -7.470 1.00 0.00 N ATOM 0 H LYS A 44 -1.802 -1.588 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.318 -3.796 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.235 -2.748 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.040 -1.467 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.186 -0.258 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.744 -1.684 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.371 -2.156 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.810 -0.734 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.487 0.657 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.209 -0.789 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.706 0.740 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.767 -0.905 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.920 0.188 -6.491 1.00 0.00 H new ATOM 718 N LYS A 45 -4.381 -4.637 -8.940 1.00 0.00 N ATOM 719 CA LYS A 45 -5.304 -5.282 -9.867 1.00 0.00 C ATOM 720 C LYS A 45 -6.563 -5.688 -9.110 1.00 0.00 C ATOM 721 O LYS A 45 -6.726 -5.315 -7.948 1.00 0.00 O ATOM 722 CB LYS A 45 -4.645 -6.491 -10.554 1.00 0.00 C ATOM 723 CG LYS A 45 -4.398 -7.741 -9.689 1.00 0.00 C ATOM 724 CD LYS A 45 -3.380 -7.503 -8.569 1.00 0.00 C ATOM 725 CE LYS A 45 -2.845 -8.833 -8.029 1.00 0.00 C ATOM 726 NZ LYS A 45 -1.798 -8.624 -7.013 1.00 0.00 N ATOM 0 H LYS A 45 -4.528 -4.919 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.574 -4.580 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.270 -6.782 -11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.687 -6.168 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.342 -8.065 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.046 -8.553 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.554 -6.899 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.846 -6.939 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.664 -9.406 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.442 -9.425 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.733 -9.464 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.884 -8.467 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.037 -7.794 -6.434 1.00 0.00 H new ATOM 740 N THR A 46 -7.425 -6.482 -9.749 1.00 0.00 N ATOM 741 CA THR A 46 -8.526 -7.151 -9.081 1.00 0.00 C ATOM 742 C THR A 46 -8.265 -8.657 -9.143 1.00 0.00 C ATOM 743 O THR A 46 -7.957 -9.189 -10.209 1.00 0.00 O ATOM 744 CB THR A 46 -9.869 -6.660 -9.652 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.861 -6.629 -8.649 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.379 -7.469 -10.844 1.00 0.00 C ATOM 0 H THR A 46 -7.372 -6.675 -10.749 1.00 0.00 H new ATOM 0 HA THR A 46 -8.595 -6.902 -8.022 1.00 0.00 H new ATOM 0 HB THR A 46 -9.669 -5.654 -10.019 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.615 -7.243 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.329 -7.057 -11.184 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.652 -7.421 -11.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.521 -8.508 -10.545 1.00 0.00 H new ATOM 754 N ILE A 47 -8.294 -9.329 -7.990 1.00 0.00 N ATOM 755 CA ILE A 47 -7.971 -10.746 -7.899 1.00 0.00 C ATOM 756 C ILE A 47 -9.132 -11.591 -8.428 1.00 0.00 C ATOM 757 O ILE A 47 -10.313 -11.292 -8.219 1.00 0.00 O ATOM 758 CB ILE A 47 -7.549 -11.154 -6.476 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.415 -12.688 -6.368 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.538 -10.604 -5.454 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.703 -13.157 -5.093 1.00 0.00 C ATOM 0 H ILE A 47 -8.542 -8.903 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.105 -10.937 -8.532 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.571 -10.723 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.409 -13.134 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.869 -13.058 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.228 -10.900 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.562 -9.516 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.532 -11.002 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.646 -14.246 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.696 -12.741 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.260 -12.818 -4.220 1.00 0.00 H new ATOM 773 N TYR A 48 -8.748 -12.665 -9.111 1.00 0.00 N ATOM 774 CA TYR A 48 -9.628 -13.586 -9.800 1.00 0.00 C ATOM 775 C TYR A 48 -9.791 -14.897 -9.030 1.00 0.00 C ATOM 776 O TYR A 48 -9.028 -15.210 -8.119 1.00 0.00 O ATOM 777 CB TYR A 48 -9.060 -13.773 -11.214 1.00 0.00 C ATOM 778 CG TYR A 48 -9.218 -12.610 -12.181 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.195 -11.615 -11.982 1.00 0.00 C ATOM 780 CD2 TYR A 48 -8.448 -12.591 -13.358 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.444 -10.652 -12.972 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.688 -11.619 -14.345 1.00 0.00 C ATOM 783 CZ TYR A 48 -9.711 -10.675 -14.167 1.00 0.00 C ATOM 784 OH TYR A 48 -10.028 -9.817 -15.176 1.00 0.00 O ATOM 0 H TYR A 48 -7.765 -12.924 -9.200 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.640 -13.187 -9.868 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.997 -13.998 -11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.535 -14.649 -11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.757 -11.593 -11.060 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.670 -13.326 -13.504 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.198 -9.895 -12.814 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.085 -11.599 -15.241 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.422 -9.963 -15.932 1.00 0.00 H new ATOM 794 N GLU A 49 -10.835 -15.637 -9.407 1.00 0.00 N ATOM 795 CA GLU A 49 -11.385 -16.784 -8.707 1.00 0.00 C ATOM 796 C GLU A 49 -11.288 -18.008 -9.613 1.00 0.00 C ATOM 797 O GLU A 49 -12.293 -18.607 -9.986 1.00 0.00 O ATOM 798 CB GLU A 49 -12.842 -16.442 -8.348 1.00 0.00 C ATOM 799 CG GLU A 49 -12.962 -15.886 -6.921 1.00 0.00 C ATOM 800 CD GLU A 49 -12.992 -16.984 -5.855 1.00 0.00 C ATOM 801 OE1 GLU A 49 -12.322 -18.018 -6.064 1.00 0.00 O ATOM 802 OE2 GLU A 49 -13.697 -16.772 -4.844 1.00 0.00 O ATOM 0 H GLU A 49 -11.347 -15.433 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.838 -17.012 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.229 -15.710 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.459 -17.335 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.123 -15.219 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.870 -15.288 -6.845 1.00 0.00 H new ATOM 809 N ASN A 50 -10.055 -18.355 -9.980 1.00 0.00 N ATOM 810 CA ASN A 50 -9.761 -19.462 -10.885 1.00 0.00 C ATOM 811 C ASN A 50 -10.548 -19.276 -12.186 1.00 0.00 C ATOM 812 O ASN A 50 -11.482 -20.025 -12.463 1.00 0.00 O ATOM 813 CB ASN A 50 -10.050 -20.813 -10.213 1.00 0.00 C ATOM 814 CG ASN A 50 -9.652 -21.984 -11.109 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.884 -21.828 -12.053 1.00 0.00 O ATOM 816 ND2 ASN A 50 -10.148 -23.182 -10.806 1.00 0.00 N ATOM 0 H ASN A 50 -9.222 -17.867 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.699 -19.462 -11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.506 -20.875 -9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.111 -20.881 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.891 -23.996 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.785 -23.285 -10.016 1.00 0.00 H new ATOM 823 N GLU A 51 -10.164 -18.224 -12.922 1.00 0.00 N ATOM 824 CA GLU A 51 -10.779 -17.693 -14.137 1.00 0.00 C ATOM 825 C GLU A 51 -11.727 -18.690 -14.815 1.00 0.00 C ATOM 826 O GLU A 51 -11.272 -19.613 -15.488 1.00 0.00 O ATOM 827 CB GLU A 51 -9.660 -17.227 -15.091 1.00 0.00 C ATOM 828 CG GLU A 51 -10.103 -16.128 -16.070 1.00 0.00 C ATOM 829 CD GLU A 51 -11.219 -16.573 -17.011 1.00 0.00 C ATOM 830 OE1 GLU A 51 -10.885 -17.237 -18.017 1.00 0.00 O ATOM 831 OE2 GLU A 51 -12.383 -16.242 -16.700 1.00 0.00 O ATOM 0 H GLU A 51 -9.344 -17.679 -12.656 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.408 -16.846 -13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.821 -16.859 -14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.299 -18.084 -15.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.440 -15.260 -15.503 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.244 -15.809 -16.661 1.00 0.00 H new ATOM 838 N GLY A 52 -13.040 -18.493 -14.658 1.00 0.00 N ATOM 839 CA GLY A 52 -14.014 -19.343 -15.302 1.00 0.00 C ATOM 840 C GLY A 52 -15.391 -18.700 -15.251 1.00 0.00 C ATOM 841 O GLY A 52 -15.732 -17.907 -16.124 1.00 0.00 O ATOM 0 H GLY A 52 -13.441 -17.748 -14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.725 -19.518 -16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.041 -20.315 -14.810 1.00 0.00 H new ATOM 845 N PHE A 53 -16.180 -19.042 -14.227 1.00 0.00 N ATOM 846 CA PHE A 53 -17.534 -18.525 -14.049 1.00 0.00 C ATOM 847 C PHE A 53 -17.696 -17.729 -12.753 1.00 0.00 C ATOM 848 O PHE A 53 -18.709 -17.060 -12.564 1.00 0.00 O ATOM 849 CB PHE A 53 -18.543 -19.678 -14.120 1.00 0.00 C ATOM 850 CG PHE A 53 -18.663 -20.501 -12.850 1.00 0.00 C ATOM 851 CD1 PHE A 53 -17.722 -21.504 -12.551 1.00 0.00 C ATOM 852 CD2 PHE A 53 -19.701 -20.227 -11.939 1.00 0.00 C ATOM 853 CE1 PHE A 53 -17.820 -22.226 -11.349 1.00 0.00 C ATOM 854 CE2 PHE A 53 -19.813 -20.965 -10.749 1.00 0.00 C ATOM 855 CZ PHE A 53 -18.872 -21.966 -10.455 1.00 0.00 C ATOM 0 H PHE A 53 -15.891 -19.691 -13.495 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.730 -17.825 -14.861 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.523 -19.269 -14.365 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.260 -20.339 -14.939 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.924 -21.719 -13.246 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -20.414 -19.446 -12.156 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.086 -22.982 -11.112 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.621 -20.763 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.957 -22.536 -9.541 1.00 0.00 H new ATOM 865 N ARG A 54 -16.723 -17.834 -11.848 1.00 0.00 N ATOM 866 CA ARG A 54 -16.811 -17.268 -10.513 1.00 0.00 C ATOM 867 C ARG A 54 -16.336 -15.817 -10.501 1.00 0.00 C ATOM 868 O ARG A 54 -15.361 -15.462 -11.163 1.00 0.00 O ATOM 869 CB ARG A 54 -16.111 -18.185 -9.509 1.00 0.00 C ATOM 870 CG ARG A 54 -16.344 -17.720 -8.064 1.00 0.00 C ATOM 871 CD ARG A 54 -16.110 -18.878 -7.091 1.00 0.00 C ATOM 872 NE ARG A 54 -17.266 -19.793 -7.094 1.00 0.00 N ATOM 873 CZ ARG A 54 -17.246 -21.133 -7.029 1.00 0.00 C ATOM 874 NH1 ARG A 54 -16.096 -21.815 -7.039 1.00 0.00 N ATOM 875 NH2 ARG A 54 -18.406 -21.793 -6.945 1.00 0.00 N ATOM 0 H ARG A 54 -15.845 -18.320 -12.028 1.00 0.00 H new ATOM 0 HA ARG A 54 -17.852 -17.219 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.479 -19.204 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.041 -18.205 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.672 -16.895 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -17.361 -17.344 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.208 -19.421 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.948 -18.490 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.186 -19.357 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.208 -21.317 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.107 -22.834 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.286 -21.278 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.411 -22.812 -6.895 1.00 0.00 H new ATOM 889 N GLU A 55 -17.084 -14.977 -9.780 1.00 0.00 N ATOM 890 CA GLU A 55 -16.948 -13.530 -9.797 1.00 0.00 C ATOM 891 C GLU A 55 -15.613 -13.089 -9.184 1.00 0.00 C ATOM 892 O GLU A 55 -14.954 -13.852 -8.482 1.00 0.00 O ATOM 893 CB GLU A 55 -18.154 -12.919 -9.054 1.00 0.00 C ATOM 894 CG GLU A 55 -18.553 -11.513 -9.526 1.00 0.00 C ATOM 895 CD GLU A 55 -19.030 -11.511 -10.976 1.00 0.00 C ATOM 896 OE1 GLU A 55 -20.182 -11.945 -11.195 1.00 0.00 O ATOM 897 OE2 GLU A 55 -18.226 -11.089 -11.834 1.00 0.00 O ATOM 0 H GLU A 55 -17.820 -15.301 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.942 -13.171 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.010 -13.583 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.925 -12.879 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.344 -11.126 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.701 -10.841 -9.424 1.00 0.00 H new ATOM 904 N ILE A 56 -15.236 -11.837 -9.444 1.00 0.00 N ATOM 905 CA ILE A 56 -14.073 -11.171 -8.870 1.00 0.00 C ATOM 906 C ILE A 56 -14.058 -11.345 -7.343 1.00 0.00 C ATOM 907 O ILE A 56 -15.097 -11.204 -6.700 1.00 0.00 O ATOM 908 CB ILE A 56 -14.142 -9.686 -9.275 1.00 0.00 C ATOM 909 CG1 ILE A 56 -13.976 -9.527 -10.798 1.00 0.00 C ATOM 910 CG2 ILE A 56 -13.086 -8.842 -8.552 1.00 0.00 C ATOM 911 CD1 ILE A 56 -14.665 -8.262 -11.317 1.00 0.00 C ATOM 0 H ILE A 56 -15.755 -11.238 -10.086 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.148 -11.609 -9.244 1.00 0.00 H new ATOM 0 HB ILE A 56 -15.126 -9.323 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.915 -9.491 -11.046 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.391 -10.400 -11.302 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.172 -7.802 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.242 -8.908 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.092 -9.215 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.524 -8.187 -12.395 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.731 -8.310 -11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.231 -7.387 -10.833 1.00 0.00 H new ATOM 923 N LYS A 57 -12.883 -11.624 -6.760 1.00 0.00 N ATOM 924 CA LYS A 57 -12.750 -11.830 -5.319 1.00 0.00 C ATOM 925 C LYS A 57 -12.686 -10.474 -4.615 1.00 0.00 C ATOM 926 O LYS A 57 -13.292 -10.266 -3.561 1.00 0.00 O ATOM 927 CB LYS A 57 -11.499 -12.679 -5.021 1.00 0.00 C ATOM 928 CG LYS A 57 -11.790 -13.899 -4.142 1.00 0.00 C ATOM 929 CD LYS A 57 -12.042 -13.525 -2.677 1.00 0.00 C ATOM 930 CE LYS A 57 -12.108 -14.809 -1.841 1.00 0.00 C ATOM 931 NZ LYS A 57 -12.385 -14.522 -0.424 1.00 0.00 N ATOM 0 H LYS A 57 -12.006 -11.712 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.617 -12.372 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.063 -13.014 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.754 -12.055 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.661 -14.425 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.949 -14.590 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.245 -12.877 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.974 -12.967 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.884 -15.463 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.164 -15.347 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.422 -15.414 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.631 -13.919 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.298 -14.031 -0.341 1.00 0.00 H new ATOM 945 N GLY A 58 -11.973 -9.527 -5.226 1.00 0.00 N ATOM 946 CA GLY A 58 -11.879 -8.157 -4.768 1.00 0.00 C ATOM 947 C GLY A 58 -10.706 -7.486 -5.449 1.00 0.00 C ATOM 948 O GLY A 58 -10.145 -8.024 -6.404 1.00 0.00 O ATOM 0 H GLY A 58 -11.434 -9.705 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.801 -7.621 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.751 -8.130 -3.686 1.00 0.00 H new ATOM 952 N TYR A 59 -10.343 -6.308 -4.952 1.00 0.00 N ATOM 953 CA TYR A 59 -9.112 -5.651 -5.347 1.00 0.00 C ATOM 954 C TYR A 59 -7.945 -6.364 -4.688 1.00 0.00 C ATOM 955 O TYR A 59 -8.116 -6.933 -3.614 1.00 0.00 O ATOM 956 CB TYR A 59 -9.142 -4.166 -4.970 1.00 0.00 C ATOM 957 CG TYR A 59 -10.004 -3.370 -5.922 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.545 -3.189 -7.237 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.327 -3.032 -5.586 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.404 -2.666 -8.219 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.186 -2.507 -6.567 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.729 -2.342 -7.888 1.00 0.00 C ATOM 963 OH TYR A 59 -12.567 -1.869 -8.852 1.00 0.00 O ATOM 0 H TYR A 59 -10.893 -5.788 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.999 -5.704 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.522 -4.055 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.128 -3.767 -4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.530 -3.452 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.682 -3.175 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.045 -2.514 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.197 -2.230 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.449 -1.694 -8.462 1.00 0.00 H new ATOM 973 N GLU A 60 -6.773 -6.344 -5.319 1.00 0.00 N ATOM 974 CA GLU A 60 -5.533 -6.685 -4.668 1.00 0.00 C ATOM 975 C GLU A 60 -4.557 -5.567 -5.001 1.00 0.00 C ATOM 976 O GLU A 60 -4.433 -5.168 -6.157 1.00 0.00 O ATOM 977 CB GLU A 60 -4.982 -8.036 -5.120 1.00 0.00 C ATOM 978 CG GLU A 60 -5.076 -9.088 -4.006 1.00 0.00 C ATOM 979 CD GLU A 60 -4.201 -10.311 -4.266 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.047 -10.668 -5.454 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.687 -10.857 -3.267 1.00 0.00 O ATOM 0 H GLU A 60 -6.668 -6.088 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.691 -6.782 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.535 -8.381 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.942 -7.921 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.784 -8.634 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.113 -9.406 -3.901 1.00 0.00 H new ATOM 988 N TYR A 61 -3.858 -5.092 -3.982 1.00 0.00 N ATOM 989 CA TYR A 61 -2.823 -4.086 -4.090 1.00 0.00 C ATOM 990 C TYR A 61 -1.504 -4.819 -3.882 1.00 0.00 C ATOM 991 O TYR A 61 -1.346 -5.435 -2.831 1.00 0.00 O ATOM 992 CB TYR A 61 -3.064 -3.016 -3.018 1.00 0.00 C ATOM 993 CG TYR A 61 -4.479 -2.454 -2.973 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.906 -1.547 -3.953 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.334 -2.746 -1.892 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.149 -0.902 -3.829 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.617 -2.169 -1.818 1.00 0.00 C ATOM 998 CZ TYR A 61 -7.015 -1.229 -2.783 1.00 0.00 C ATOM 999 OH TYR A 61 -8.220 -0.596 -2.714 1.00 0.00 O ATOM 0 H TYR A 61 -4.004 -5.411 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.816 -3.579 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.827 -3.441 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.368 -2.194 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.277 -1.343 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.003 -3.418 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.436 -0.149 -4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.292 -2.448 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.931 -1.259 -2.590 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.594 -4.818 -4.865 1.00 0.00 N ATOM 1010 CA GLN A 62 0.700 -5.479 -4.743 1.00 0.00 C ATOM 1011 C GLN A 62 1.737 -4.405 -4.456 1.00 0.00 C ATOM 1012 O GLN A 62 1.871 -3.461 -5.236 1.00 0.00 O ATOM 1013 CB GLN A 62 1.042 -6.205 -6.049 1.00 0.00 C ATOM 1014 CG GLN A 62 2.329 -7.036 -5.940 1.00 0.00 C ATOM 1015 CD GLN A 62 2.774 -7.548 -7.306 1.00 0.00 C ATOM 1016 OE1 GLN A 62 2.725 -8.739 -7.586 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.205 -6.645 -8.182 1.00 0.00 N ATOM 0 H GLN A 62 -0.739 -4.358 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 62 0.681 -6.216 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.214 -6.858 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.152 -5.473 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.121 -6.429 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.165 -7.879 -5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.236 -5.659 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.504 -6.939 -9.112 1.00 0.00 H new ATOM 1026 N LEU A 63 2.490 -4.542 -3.365 1.00 0.00 N ATOM 1027 CA LEU A 63 3.548 -3.595 -3.076 1.00 0.00 C ATOM 1028 C LEU A 63 4.773 -4.277 -2.483 1.00 0.00 C ATOM 1029 O LEU A 63 4.726 -5.429 -2.051 1.00 0.00 O ATOM 1030 CB LEU A 63 2.999 -2.388 -2.305 1.00 0.00 C ATOM 1031 CG LEU A 63 2.136 -2.701 -1.074 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.999 -3.058 0.137 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.308 -1.460 -0.735 1.00 0.00 C ATOM 0 H LEU A 63 2.384 -5.290 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 63 3.928 -3.173 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.841 -1.775 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.407 -1.783 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 63 1.498 -3.554 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.357 -3.274 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.604 -3.935 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.653 -2.220 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.688 -1.664 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.975 -0.625 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.670 -1.206 -1.582 1.00 0.00 H new ATOM 1045 N TYR A 64 5.896 -3.562 -2.545 1.00 0.00 N ATOM 1046 CA TYR A 64 7.225 -4.082 -2.323 1.00 0.00 C ATOM 1047 C TYR A 64 7.908 -3.259 -1.229 1.00 0.00 C ATOM 1048 O TYR A 64 8.513 -2.219 -1.505 1.00 0.00 O ATOM 1049 CB TYR A 64 7.946 -3.995 -3.675 1.00 0.00 C ATOM 1050 CG TYR A 64 7.716 -5.176 -4.602 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.092 -6.473 -4.200 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.164 -4.980 -5.883 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.948 -7.552 -5.084 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.994 -6.069 -6.756 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.391 -7.356 -6.357 1.00 0.00 C ATOM 1056 OH TYR A 64 7.197 -8.427 -7.177 1.00 0.00 O ATOM 0 H TYR A 64 5.893 -2.565 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 64 7.229 -5.116 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.625 -3.086 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.016 -3.898 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.492 -6.636 -3.210 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.870 -3.989 -6.196 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.267 -8.539 -4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.559 -5.916 -7.732 1.00 0.00 H new ATOM 0 HH TYR A 64 6.802 -8.125 -8.022 1.00 0.00 H new ATOM 1066 N VAL A 65 7.777 -3.724 0.017 1.00 0.00 N ATOM 1067 CA VAL A 65 8.348 -3.079 1.192 1.00 0.00 C ATOM 1068 C VAL A 65 9.734 -3.679 1.433 1.00 0.00 C ATOM 1069 O VAL A 65 9.858 -4.890 1.639 1.00 0.00 O ATOM 1070 CB VAL A 65 7.418 -3.243 2.405 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.981 -2.453 3.593 1.00 0.00 C ATOM 1072 CG2 VAL A 65 6.008 -2.728 2.092 1.00 0.00 C ATOM 0 H VAL A 65 7.260 -4.576 0.236 1.00 0.00 H new ATOM 0 HA VAL A 65 8.451 -2.006 1.032 1.00 0.00 H new ATOM 0 HB VAL A 65 7.360 -4.304 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.321 -2.570 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.973 -2.829 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.049 -1.398 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.371 -2.856 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.056 -1.671 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.593 -3.290 1.256 1.00 0.00 H new ATOM 1082 N TYR A 66 10.778 -2.851 1.369 1.00 0.00 N ATOM 1083 CA TYR A 66 12.153 -3.319 1.358 1.00 0.00 C ATOM 1084 C TYR A 66 12.666 -3.544 2.778 1.00 0.00 C ATOM 1085 O TYR A 66 13.603 -2.893 3.234 1.00 0.00 O ATOM 1086 CB TYR A 66 13.026 -2.338 0.564 1.00 0.00 C ATOM 1087 CG TYR A 66 14.398 -2.873 0.211 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.505 -4.148 -0.363 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.562 -2.132 0.487 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.760 -4.677 -0.688 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.825 -2.676 0.194 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.923 -3.958 -0.374 1.00 0.00 C ATOM 1093 OH TYR A 66 18.133 -4.569 -0.491 1.00 0.00 O ATOM 0 H TYR A 66 10.687 -1.836 1.323 1.00 0.00 H new ATOM 0 HA TYR A 66 12.203 -4.286 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.506 -2.069 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.144 -1.423 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.613 -4.726 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.485 -1.147 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.833 -5.636 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.720 -2.109 0.405 1.00 0.00 H new ATOM 0 HH TYR A 66 18.085 -5.466 -0.100 1.00 0.00 H new ATOM 1103 N ALA A 67 12.031 -4.465 3.496 1.00 0.00 N ATOM 1104 CA ALA A 67 12.256 -4.637 4.920 1.00 0.00 C ATOM 1105 C ALA A 67 13.433 -5.580 5.136 1.00 0.00 C ATOM 1106 O ALA A 67 13.712 -6.433 4.292 1.00 0.00 O ATOM 1107 CB ALA A 67 10.972 -5.123 5.583 1.00 0.00 C ATOM 0 H ALA A 67 11.347 -5.111 3.103 1.00 0.00 H new ATOM 0 HA ALA A 67 12.516 -3.688 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.141 -5.252 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.181 -4.389 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.674 -6.076 5.145 1.00 0.00 H new ATOM 1113 N SER A 68 14.139 -5.415 6.257 1.00 0.00 N ATOM 1114 CA SER A 68 15.418 -6.057 6.537 1.00 0.00 C ATOM 1115 C SER A 68 16.451 -5.559 5.522 1.00 0.00 C ATOM 1116 O SER A 68 17.255 -4.684 5.831 1.00 0.00 O ATOM 1117 CB SER A 68 15.305 -7.592 6.600 1.00 0.00 C ATOM 1118 OG SER A 68 16.497 -8.138 7.124 1.00 0.00 O ATOM 0 H SER A 68 13.823 -4.811 7.016 1.00 0.00 H new ATOM 0 HA SER A 68 15.756 -5.774 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.458 -7.878 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.117 -7.993 5.604 1.00 0.00 H new ATOM 0 HG SER A 68 16.420 -9.114 7.164 1.00 0.00 H new ATOM 1124 N ASP A 69 16.359 -6.086 4.300 1.00 0.00 N ATOM 1125 CA ASP A 69 17.061 -5.676 3.101 1.00 0.00 C ATOM 1126 C ASP A 69 16.510 -6.463 1.901 1.00 0.00 C ATOM 1127 O ASP A 69 17.253 -6.740 0.960 1.00 0.00 O ATOM 1128 CB ASP A 69 18.571 -5.915 3.284 1.00 0.00 C ATOM 1129 CG ASP A 69 19.413 -5.229 2.216 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.387 -3.979 2.196 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.083 -5.962 1.456 1.00 0.00 O ATOM 0 H ASP A 69 15.738 -6.875 4.118 1.00 0.00 H new ATOM 0 HA ASP A 69 16.907 -4.613 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.875 -5.554 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.769 -6.987 3.263 1.00 0.00 H new ATOM 1136 N LYS A 70 15.230 -6.874 1.940 1.00 0.00 N ATOM 1137 CA LYS A 70 14.642 -7.783 0.966 1.00 0.00 C ATOM 1138 C LYS A 70 13.297 -7.223 0.528 1.00 0.00 C ATOM 1139 O LYS A 70 12.554 -6.657 1.331 1.00 0.00 O ATOM 1140 CB LYS A 70 14.419 -9.185 1.560 1.00 0.00 C ATOM 1141 CG LYS A 70 15.600 -10.150 1.389 1.00 0.00 C ATOM 1142 CD LYS A 70 16.705 -9.950 2.430 1.00 0.00 C ATOM 1143 CE LYS A 70 17.760 -11.051 2.279 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.839 -10.899 3.269 1.00 0.00 N ATOM 0 H LYS A 70 14.575 -6.575 2.662 1.00 0.00 H new ATOM 0 HA LYS A 70 15.328 -7.872 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.201 -9.084 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.537 -9.626 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.234 -11.175 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.023 -10.022 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.166 -8.971 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.281 -9.974 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.289 -12.027 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.179 -11.020 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.537 -11.659 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.303 -9.977 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.440 -10.953 4.228 1.00 0.00 H new ATOM 1158 N LEU A 71 12.980 -7.409 -0.753 1.00 0.00 N ATOM 1159 CA LEU A 71 11.703 -7.049 -1.322 1.00 0.00 C ATOM 1160 C LEU A 71 10.686 -8.108 -0.888 1.00 0.00 C ATOM 1161 O LEU A 71 10.362 -9.042 -1.615 1.00 0.00 O ATOM 1162 CB LEU A 71 11.870 -6.891 -2.847 1.00 0.00 C ATOM 1163 CG LEU A 71 11.427 -5.514 -3.347 1.00 0.00 C ATOM 1164 CD1 LEU A 71 12.204 -4.331 -2.762 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.590 -5.459 -4.863 1.00 0.00 C ATOM 0 H LEU A 71 13.623 -7.823 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 71 11.327 -6.090 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.915 -7.051 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.290 -7.662 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 71 10.392 -5.410 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.817 -3.400 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.089 -4.321 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.260 -4.429 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.276 -4.481 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.636 -5.625 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.975 -6.232 -5.323 1.00 0.00 H new ATOM 1177 N PHE A 72 10.187 -7.977 0.339 1.00 0.00 N ATOM 1178 CA PHE A 72 9.061 -8.769 0.794 1.00 0.00 C ATOM 1179 C PHE A 72 7.859 -8.346 -0.050 1.00 0.00 C ATOM 1180 O PHE A 72 7.464 -7.181 -0.002 1.00 0.00 O ATOM 1181 CB PHE A 72 8.857 -8.514 2.288 1.00 0.00 C ATOM 1182 CG PHE A 72 9.878 -9.210 3.164 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.786 -10.594 3.400 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.937 -8.477 3.720 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.743 -11.235 4.207 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.875 -9.107 4.557 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.784 -10.490 4.792 1.00 0.00 C ATOM 0 H PHE A 72 10.551 -7.325 1.034 1.00 0.00 H new ATOM 0 HA PHE A 72 9.216 -9.841 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.901 -7.441 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.859 -8.847 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.980 -11.164 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.032 -7.423 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.679 -12.299 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.663 -8.530 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.512 -10.980 5.421 1.00 0.00 H new ATOM 1197 N ARG A 73 7.310 -9.263 -0.857 1.00 0.00 N ATOM 1198 CA ARG A 73 6.202 -8.940 -1.724 1.00 0.00 C ATOM 1199 C ARG A 73 4.979 -8.960 -0.835 1.00 0.00 C ATOM 1200 O ARG A 73 4.604 -10.016 -0.334 1.00 0.00 O ATOM 1201 CB ARG A 73 6.072 -9.938 -2.880 1.00 0.00 C ATOM 1202 CG ARG A 73 5.112 -9.354 -3.927 1.00 0.00 C ATOM 1203 CD ARG A 73 4.763 -10.374 -5.020 1.00 0.00 C ATOM 1204 NE ARG A 73 3.337 -10.724 -4.976 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.705 -11.502 -5.866 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.402 -12.168 -6.794 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.374 -11.603 -5.823 1.00 0.00 N ATOM 0 H ARG A 73 7.625 -10.231 -0.918 1.00 0.00 H new ATOM 0 HA ARG A 73 6.340 -7.969 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.048 -10.129 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.697 -10.894 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.197 -9.022 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.565 -8.474 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.010 -9.963 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.366 -11.273 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 73 2.784 -10.345 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.418 -12.085 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.917 -12.759 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.846 -11.090 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.885 -12.193 -6.497 1.00 0.00 H new ATOM 1221 N ALA A 74 4.405 -7.796 -0.569 1.00 0.00 N ATOM 1222 CA ALA A 74 3.299 -7.674 0.344 1.00 0.00 C ATOM 1223 C ALA A 74 2.063 -7.284 -0.463 1.00 0.00 C ATOM 1224 O ALA A 74 2.011 -6.204 -1.051 1.00 0.00 O ATOM 1225 CB ALA A 74 3.688 -6.710 1.462 1.00 0.00 C ATOM 0 H ALA A 74 4.700 -6.913 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 74 3.050 -8.609 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.858 -6.609 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.560 -7.097 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.924 -5.735 1.036 1.00 0.00 H new ATOM 1231 N ASP A 75 1.091 -8.200 -0.530 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.150 -8.014 -1.258 1.00 0.00 C ATOM 1233 C ASP A 75 -1.226 -7.677 -0.236 1.00 0.00 C ATOM 1234 O ASP A 75 -1.147 -8.125 0.901 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.512 -9.290 -2.033 1.00 0.00 C ATOM 1236 CG ASP A 75 0.412 -9.538 -3.221 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.636 -9.637 -2.986 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.113 -9.644 -4.350 1.00 0.00 O ATOM 0 H ASP A 75 1.155 -9.107 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.055 -7.210 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.468 -10.145 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.540 -9.216 -2.387 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.233 -6.893 -0.600 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.342 -6.600 0.292 1.00 0.00 C ATOM 1245 C ILE A 76 -4.601 -6.796 -0.531 1.00 0.00 C ATOM 1246 O ILE A 76 -4.791 -6.083 -1.512 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.228 -5.183 0.879 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -1.890 -4.982 1.618 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.400 -4.968 1.851 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -0.774 -4.458 0.700 1.00 0.00 C ATOM 0 H ILE A 76 -2.302 -6.447 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.350 -7.261 1.159 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.263 -4.458 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.036 -4.282 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.577 -5.929 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.338 -3.968 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.342 -5.075 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.351 -5.708 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.144 -4.336 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.604 -5.169 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.069 -3.496 0.280 1.00 0.00 H new ATOM 1262 N SER A 77 -5.414 -7.789 -0.166 1.00 0.00 N ATOM 1263 CA SER A 77 -6.633 -8.123 -0.882 1.00 0.00 C ATOM 1264 C SER A 77 -7.788 -7.379 -0.236 1.00 0.00 C ATOM 1265 O SER A 77 -7.723 -7.069 0.954 1.00 0.00 O ATOM 1266 CB SER A 77 -6.860 -9.637 -0.874 1.00 0.00 C ATOM 1267 OG SER A 77 -7.885 -10.012 -1.780 1.00 0.00 O ATOM 0 H SER A 77 -5.238 -8.385 0.643 1.00 0.00 H new ATOM 0 HA SER A 77 -6.554 -7.819 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.934 -10.147 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.125 -9.961 0.132 1.00 0.00 H new ATOM 0 HG SER A 77 -8.005 -10.984 -1.754 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.842 -7.122 -1.010 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.078 -6.560 -0.531 1.00 0.00 C ATOM 1275 C GLU A 78 -11.238 -7.512 -0.760 1.00 0.00 C ATOM 1276 O GLU A 78 -11.081 -8.570 -1.364 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.333 -5.211 -1.213 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.288 -4.180 -0.790 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.843 -2.765 -0.914 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.168 -2.382 -2.059 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.895 -2.063 0.117 1.00 0.00 O ATOM 0 H GLU A 78 -8.847 -7.309 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.995 -6.401 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.309 -5.336 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.329 -4.851 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.982 -4.367 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.398 -4.282 -1.411 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.402 -7.093 -0.264 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.678 -7.751 -0.474 1.00 0.00 C ATOM 1290 C ASP A 79 -14.394 -7.090 -1.651 1.00 0.00 C ATOM 1291 O ASP A 79 -14.866 -5.968 -1.487 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.526 -7.589 0.799 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.766 -8.480 0.778 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.113 -8.972 -0.320 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.355 -8.642 1.867 1.00 0.00 O ATOM 0 H ASP A 79 -12.478 -6.256 0.314 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.528 -8.809 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.920 -7.832 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.830 -6.547 0.902 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.530 -7.766 -2.800 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.344 -7.279 -3.920 1.00 0.00 C ATOM 1302 C TYR A 80 -16.735 -6.788 -3.506 1.00 0.00 C ATOM 1303 O TYR A 80 -17.269 -5.891 -4.150 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.514 -8.351 -5.005 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.053 -7.825 -6.322 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.341 -6.830 -7.020 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.238 -8.349 -6.870 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -15.822 -6.347 -8.249 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.715 -7.869 -8.102 1.00 0.00 C ATOM 1310 CZ TYR A 80 -17.013 -6.864 -8.785 1.00 0.00 C ATOM 1311 OH TYR A 80 -17.475 -6.411 -9.985 1.00 0.00 O ATOM 0 H TYR A 80 -14.080 -8.664 -2.978 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.787 -6.428 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.550 -8.826 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.186 -9.124 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.423 -6.437 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.781 -9.120 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.277 -5.580 -8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.623 -8.274 -8.524 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.309 -6.874 -10.210 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.328 -7.373 -2.454 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.590 -6.900 -1.898 1.00 0.00 C ATOM 1323 C LYS A 81 -18.554 -5.382 -1.707 1.00 0.00 C ATOM 1324 O LYS A 81 -19.540 -4.702 -1.986 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.848 -7.607 -0.558 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.223 -7.341 0.066 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.359 -7.838 -0.834 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.658 -7.961 -0.029 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.783 -8.374 -0.886 1.00 0.00 N ATOM 0 H LYS A 81 -16.942 -8.184 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.400 -7.133 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.735 -8.681 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.079 -7.299 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.284 -7.835 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.341 -6.272 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.502 -7.148 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.096 -8.805 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.524 -8.687 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.888 -7.005 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.647 -8.448 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.925 -7.668 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.572 -9.298 -1.315 1.00 0.00 H new ATOM 1343 N THR A 82 -17.414 -4.878 -1.218 1.00 0.00 N ATOM 1344 CA THR A 82 -17.236 -3.494 -0.840 1.00 0.00 C ATOM 1345 C THR A 82 -15.767 -3.065 -1.057 1.00 0.00 C ATOM 1346 O THR A 82 -15.326 -2.936 -2.195 1.00 0.00 O ATOM 1347 CB THR A 82 -17.732 -3.357 0.611 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.028 -3.896 0.779 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.803 -1.887 0.987 1.00 0.00 C ATOM 0 H THR A 82 -16.578 -5.445 -1.076 1.00 0.00 H new ATOM 0 HA THR A 82 -17.817 -2.814 -1.462 1.00 0.00 H new ATOM 0 HB THR A 82 -17.030 -3.902 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.307 -3.792 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.154 -1.791 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.813 -1.441 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.493 -1.373 0.318 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.007 -2.847 0.027 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.611 -2.443 0.080 1.00 0.00 C ATOM 1359 C ARG A 83 -13.110 -2.784 1.492 1.00 0.00 C ATOM 1360 O ARG A 83 -12.427 -2.000 2.146 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.434 -0.951 -0.246 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.264 -0.645 -1.743 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.611 0.730 -1.944 1.00 0.00 C ATOM 1364 NE ARG A 83 -11.253 0.764 -1.380 1.00 0.00 N ATOM 1365 CZ ARG A 83 -10.534 1.874 -1.156 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -10.986 3.067 -1.558 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -9.362 1.781 -0.521 1.00 0.00 N ATOM 0 H ARG A 83 -15.395 -2.961 0.963 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.028 -2.972 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.300 -0.404 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.563 -0.575 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.651 -1.416 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.235 -0.668 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.571 0.964 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.223 1.498 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.823 -0.129 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.883 3.137 -2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.434 3.907 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.021 0.871 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.809 2.620 -0.346 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.486 -3.967 1.992 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.858 -4.508 3.188 1.00 0.00 C ATOM 1383 C GLY A 84 -11.393 -4.778 2.849 1.00 0.00 C ATOM 1384 O GLY A 84 -11.061 -4.794 1.669 1.00 0.00 O ATOM 0 H GLY A 84 -14.214 -4.557 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.937 -3.803 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.355 -5.426 3.502 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.527 -5.002 3.840 1.00 0.00 N ATOM 1389 CA ARG A 85 -9.109 -5.286 3.636 1.00 0.00 C ATOM 1390 C ARG A 85 -8.780 -6.629 4.281 1.00 0.00 C ATOM 1391 O ARG A 85 -9.351 -6.956 5.321 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.215 -4.142 4.168 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.807 -3.260 5.285 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.667 -3.925 6.657 1.00 0.00 C ATOM 1395 NE ARG A 85 -9.679 -3.474 7.617 1.00 0.00 N ATOM 1396 CZ ARG A 85 -9.800 -3.987 8.852 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -8.940 -4.919 9.283 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -10.784 -3.567 9.651 1.00 0.00 N ATOM 0 H ARG A 85 -10.799 -4.990 4.823 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.900 -5.350 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.287 -4.579 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.953 -3.497 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.302 -2.294 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.860 -3.067 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.741 -5.006 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.675 -3.715 7.057 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.322 -2.735 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.189 -5.242 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.036 -5.306 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.441 -2.859 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.879 -3.954 10.590 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.874 -7.407 3.679 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.354 -8.629 4.266 1.00 0.00 C ATOM 1414 C LYS A 86 -5.838 -8.679 4.134 1.00 0.00 C ATOM 1415 O LYS A 86 -5.260 -8.262 3.128 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.996 -9.873 3.639 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.403 -10.179 4.171 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.434 -10.971 5.491 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.056 -10.166 6.745 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.506 -10.846 7.972 1.00 0.00 N ATOM 0 H LYS A 86 -7.482 -7.197 2.761 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.612 -8.626 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.048 -9.738 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.353 -10.734 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.935 -9.238 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.949 -10.741 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.436 -11.379 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.754 -11.819 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.975 -10.027 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.503 -9.174 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.237 -10.279 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.540 -10.956 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.059 -11.783 8.033 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.213 -9.199 5.192 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.779 -9.333 5.327 1.00 0.00 C ATOM 1436 C LEU A 87 -3.320 -10.441 4.377 1.00 0.00 C ATOM 1437 O LEU A 87 -3.412 -11.622 4.703 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.502 -9.650 6.810 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.067 -9.394 7.289 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.013 -9.580 8.812 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.045 -10.347 6.658 1.00 0.00 C ATOM 0 H LEU A 87 -5.720 -9.549 6.005 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.228 -8.431 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.181 -9.056 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.744 -10.698 6.990 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.806 -8.379 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.997 -9.401 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.693 -8.874 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.310 -10.598 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.049 -10.115 7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.300 -11.375 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.058 -10.229 5.575 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.792 -10.046 3.216 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.120 -10.920 2.255 1.00 0.00 C ATOM 1455 C LEU A 88 -0.632 -10.542 2.151 1.00 0.00 C ATOM 1456 O LEU A 88 0.088 -11.023 1.275 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.852 -10.819 0.900 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.424 -12.142 0.371 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -2.318 -13.162 0.074 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.487 -12.727 1.309 1.00 0.00 C ATOM 0 H LEU A 88 -2.822 -9.074 2.910 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.158 -11.958 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.667 -10.101 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.160 -10.418 0.159 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.920 -11.913 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.764 -14.084 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.642 -12.757 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.761 -13.371 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.863 -13.662 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.045 -12.916 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.310 -12.019 1.413 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.190 -9.623 3.016 1.00 0.00 N ATOM 1473 CA ARG A 89 1.128 -9.031 2.987 1.00 0.00 C ATOM 1474 C ARG A 89 2.185 -10.036 3.432 1.00 0.00 C ATOM 1475 O ARG A 89 1.852 -11.122 3.898 1.00 0.00 O ATOM 1476 CB ARG A 89 1.171 -7.692 3.750 1.00 0.00 C ATOM 1477 CG ARG A 89 0.297 -7.558 4.995 1.00 0.00 C ATOM 1478 CD ARG A 89 0.460 -6.179 5.650 1.00 0.00 C ATOM 1479 NE ARG A 89 0.020 -5.047 4.801 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.792 -4.344 3.956 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.045 -4.716 3.683 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.317 -3.227 3.404 1.00 0.00 N ATOM 0 H ARG A 89 -0.769 -9.267 3.777 1.00 0.00 H new ATOM 0 HA ARG A 89 1.372 -8.775 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.204 -7.506 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.889 -6.901 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.748 -7.713 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.561 -8.336 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.107 -6.162 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.508 -6.036 5.913 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.961 -4.776 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.436 -5.551 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.611 -4.165 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.627 -2.911 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.898 -2.689 2.762 1.00 0.00 H new ATOM 1496 N PHE A 90 3.463 -9.657 3.310 1.00 0.00 N ATOM 1497 CA PHE A 90 4.574 -10.471 3.773 1.00 0.00 C ATOM 1498 C PHE A 90 4.630 -11.814 3.039 1.00 0.00 C ATOM 1499 O PHE A 90 4.455 -12.874 3.637 1.00 0.00 O ATOM 1500 CB PHE A 90 4.489 -10.621 5.296 1.00 0.00 C ATOM 1501 CG PHE A 90 5.304 -9.606 6.046 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.665 -9.867 6.281 1.00 0.00 C ATOM 1503 CD2 PHE A 90 4.715 -8.407 6.482 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.453 -8.915 6.935 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.514 -7.440 7.119 1.00 0.00 C ATOM 1506 CZ PHE A 90 6.885 -7.694 7.326 1.00 0.00 C ATOM 0 H PHE A 90 3.748 -8.774 2.886 1.00 0.00 H new ATOM 0 HA PHE A 90 5.515 -9.973 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.447 -10.537 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.824 -11.621 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.101 -10.801 5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.661 -8.230 6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.494 -9.119 7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.079 -6.508 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.504 -6.941 7.790 1.00 0.00 H new ATOM 1516 N ASN A 91 4.912 -11.768 1.737 1.00 0.00 N ATOM 1517 CA ASN A 91 5.024 -12.941 0.886 1.00 0.00 C ATOM 1518 C ASN A 91 6.325 -12.872 0.077 1.00 0.00 C ATOM 1519 O ASN A 91 7.068 -11.889 0.154 1.00 0.00 O ATOM 1520 CB ASN A 91 3.774 -13.027 -0.001 1.00 0.00 C ATOM 1521 CG ASN A 91 3.382 -14.472 -0.284 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.200 -15.264 -0.742 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.136 -14.838 0.004 1.00 0.00 N ATOM 0 H ASN A 91 5.072 -10.892 1.239 1.00 0.00 H new ATOM 0 HA ASN A 91 5.073 -13.853 1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.945 -12.514 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.959 -12.509 -0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.838 -15.800 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.479 -14.156 0.384 1.00 0.00 H new ATOM 1530 N GLY A 92 6.623 -13.930 -0.676 1.00 0.00 N ATOM 1531 CA GLY A 92 7.898 -14.107 -1.351 1.00 0.00 C ATOM 1532 C GLY A 92 8.873 -14.819 -0.407 1.00 0.00 C ATOM 1533 O GLY A 92 8.591 -15.953 -0.025 1.00 0.00 O ATOM 0 H GLY A 92 5.971 -14.698 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.763 -14.691 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.303 -13.140 -1.649 1.00 0.00 H new ATOM 1537 N PRO A 93 9.993 -14.201 0.009 1.00 0.00 N ATOM 1538 CA PRO A 93 10.455 -12.877 -0.382 1.00 0.00 C ATOM 1539 C PRO A 93 10.862 -12.873 -1.855 1.00 0.00 C ATOM 1540 O PRO A 93 11.068 -13.928 -2.451 1.00 0.00 O ATOM 1541 CB PRO A 93 11.661 -12.590 0.517 1.00 0.00 C ATOM 1542 CG PRO A 93 12.235 -13.984 0.770 1.00 0.00 C ATOM 1543 CD PRO A 93 10.978 -14.850 0.859 1.00 0.00 C ATOM 0 HA PRO A 93 9.680 -12.120 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.384 -11.938 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.366 -12.100 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.892 -14.305 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.819 -14.021 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.178 -15.867 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.623 -14.920 1.887 1.00 0.00 H new ATOM 1551 N VAL A 94 10.955 -11.681 -2.441 1.00 0.00 N ATOM 1552 CA VAL A 94 11.316 -11.479 -3.831 1.00 0.00 C ATOM 1553 C VAL A 94 12.678 -10.767 -3.856 1.00 0.00 C ATOM 1554 O VAL A 94 12.847 -9.756 -3.172 1.00 0.00 O ATOM 1555 CB VAL A 94 10.178 -10.687 -4.502 1.00 0.00 C ATOM 1556 CG1 VAL A 94 10.598 -10.009 -5.803 1.00 0.00 C ATOM 1557 CG2 VAL A 94 8.983 -11.613 -4.767 1.00 0.00 C ATOM 0 H VAL A 94 10.775 -10.809 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 94 11.429 -12.407 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 94 9.901 -9.894 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.749 -9.469 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.410 -9.310 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.935 -10.763 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.182 -11.046 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.291 -12.426 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.626 -12.025 -3.823 1.00 0.00 H new ATOM 1567 N PRO A 95 13.679 -11.279 -4.593 1.00 0.00 N ATOM 1568 CA PRO A 95 14.937 -10.570 -4.763 1.00 0.00 C ATOM 1569 C PRO A 95 14.687 -9.352 -5.661 1.00 0.00 C ATOM 1570 O PRO A 95 13.751 -9.368 -6.458 1.00 0.00 O ATOM 1571 CB PRO A 95 15.883 -11.584 -5.414 1.00 0.00 C ATOM 1572 CG PRO A 95 14.938 -12.460 -6.236 1.00 0.00 C ATOM 1573 CD PRO A 95 13.661 -12.495 -5.393 1.00 0.00 C ATOM 0 HA PRO A 95 15.365 -10.200 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 95 16.628 -11.095 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.426 -12.165 -4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.756 -12.037 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.347 -13.459 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.775 -12.533 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.636 -13.380 -4.758 1.00 0.00 H new ATOM 1581 N PRO A 96 15.493 -8.286 -5.551 1.00 0.00 N ATOM 1582 CA PRO A 96 15.301 -7.084 -6.345 1.00 0.00 C ATOM 1583 C PRO A 96 15.476 -7.406 -7.837 1.00 0.00 C ATOM 1584 O PRO A 96 16.560 -7.834 -8.234 1.00 0.00 O ATOM 1585 CB PRO A 96 16.346 -6.085 -5.833 1.00 0.00 C ATOM 1586 CG PRO A 96 17.440 -6.973 -5.237 1.00 0.00 C ATOM 1587 CD PRO A 96 16.656 -8.165 -4.688 1.00 0.00 C ATOM 0 HA PRO A 96 14.299 -6.668 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.732 -5.462 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 96 15.924 -5.413 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.165 -7.280 -5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.994 -6.458 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.257 -9.074 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.362 -7.999 -3.652 1.00 0.00 H new ATOM 1595 N PRO A 97 14.440 -7.231 -8.676 1.00 0.00 N ATOM 1596 CA PRO A 97 14.519 -7.565 -10.089 1.00 0.00 C ATOM 1597 C PRO A 97 15.381 -6.546 -10.841 1.00 0.00 C ATOM 1598 O PRO A 97 15.354 -5.358 -10.444 1.00 0.00 O ATOM 1599 CB PRO A 97 13.071 -7.571 -10.583 1.00 0.00 C ATOM 1600 CG PRO A 97 12.389 -6.546 -9.677 1.00 0.00 C ATOM 1601 CD PRO A 97 13.116 -6.724 -8.343 1.00 0.00 C ATOM 1602 OXT PRO A 97 16.034 -6.969 -11.819 1.00 0.00 O ATOM 0 HA PRO A 97 14.994 -8.531 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.003 -7.288 -11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.617 -8.557 -10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.497 -5.532 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.320 -6.739 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.184 -5.778 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.582 -7.421 -7.697 1.00 0.00 H new TER 1610 PRO A 97