USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= 0.0917 K(o=1.1,f=0.37) USER MOD Set 1.2: A 65 SER OG : rot 76:sc= 1.06 USER MOD Single : A 12 THR OG1 : rot -67:sc= -2.64! USER MOD Single : A 13 GLN : amide:sc= -0.658 K(o=-0.66,f=-2.1!) USER MOD Single : A 14 ASN : amide:sc= 0.0257 X(o=0.026,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -6.44! C(o=-6.4!,f=-13!) USER MOD Single : A 33 THR OG1 : rot -89:sc= -0.961 USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= -0.0512 (180deg=-0.443) USER MOD Single : A 41 CYS SG : rot 5:sc= -10.3! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.378 (180deg=-1.33) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -148:sc= -0.612 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 130:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.9) USER MOD Single : A 61 TYR OH : rot -120:sc= -7.03! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -6.42! (180deg=-6.58!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.348 9.433 -5.003 1.00 0.00 N ATOM 11 CA GLU A 2 -8.208 10.311 -4.615 1.00 0.00 C ATOM 12 C GLU A 2 -6.879 9.591 -4.859 1.00 0.00 C ATOM 13 O GLU A 2 -6.849 8.427 -5.204 1.00 0.00 O ATOM 14 CB GLU A 2 -8.405 10.582 -3.123 1.00 0.00 C ATOM 15 CG GLU A 2 -7.888 11.982 -2.786 1.00 0.00 C ATOM 16 CD GLU A 2 -8.649 13.021 -3.610 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.765 13.345 -3.236 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.104 13.475 -4.603 1.00 0.00 O ATOM 0 HA GLU A 2 -8.181 11.233 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.461 10.501 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.874 9.835 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.016 12.182 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.820 12.047 -2.996 1.00 0.00 H new ATOM 25 N TRP A 3 -5.781 10.274 -4.685 1.00 0.00 N ATOM 26 CA TRP A 3 -4.457 9.626 -4.908 1.00 0.00 C ATOM 27 C TRP A 3 -3.349 10.435 -4.229 1.00 0.00 C ATOM 28 O TRP A 3 -3.432 11.641 -4.110 1.00 0.00 O ATOM 29 CB TRP A 3 -4.266 9.626 -6.424 1.00 0.00 C ATOM 30 CG TRP A 3 -4.154 11.036 -6.906 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.201 11.833 -7.219 1.00 0.00 C ATOM 32 CD2 TRP A 3 -2.953 11.828 -7.132 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.720 13.064 -7.624 1.00 0.00 N ATOM 34 CE2 TRP A 3 -3.340 13.111 -7.588 1.00 0.00 C ATOM 35 CE3 TRP A 3 -1.579 11.561 -6.988 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -2.396 14.094 -7.891 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -0.628 12.549 -7.291 1.00 0.00 C ATOM 38 CH2 TRP A 3 -1.035 13.812 -7.741 1.00 0.00 C ATOM 0 H TRP A 3 -5.743 11.252 -4.398 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.416 8.620 -4.491 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.369 9.066 -6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -5.107 9.129 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.243 11.553 -7.162 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.312 13.843 -7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.254 10.591 -6.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -2.715 15.065 -8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.424 12.334 -7.176 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.298 14.567 -7.972 1.00 0.00 H new ATOM 49 N GLU A 4 -2.309 9.783 -3.783 1.00 0.00 N ATOM 50 CA GLU A 4 -1.197 10.520 -3.115 1.00 0.00 C ATOM 51 C GLU A 4 -0.065 9.558 -2.743 1.00 0.00 C ATOM 52 O GLU A 4 -0.260 8.363 -2.640 1.00 0.00 O ATOM 53 CB GLU A 4 -1.823 11.128 -1.858 1.00 0.00 C ATOM 54 CG GLU A 4 -2.060 10.032 -0.818 1.00 0.00 C ATOM 55 CD GLU A 4 -1.255 10.343 0.445 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.379 11.450 0.944 1.00 0.00 O ATOM 57 OE2 GLU A 4 -0.528 9.470 0.891 1.00 0.00 O ATOM 0 H GLU A 4 -2.181 8.773 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.761 11.281 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.167 11.896 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.765 11.615 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.121 9.967 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.764 9.063 -1.221 1.00 0.00 H new ATOM 64 N ILE A 5 1.118 10.071 -2.543 1.00 0.00 N ATOM 65 CA ILE A 5 2.263 9.201 -2.184 1.00 0.00 C ATOM 66 C ILE A 5 2.440 9.159 -0.663 1.00 0.00 C ATOM 67 O ILE A 5 1.650 9.708 0.079 1.00 0.00 O ATOM 68 CB ILE A 5 3.459 9.871 -2.846 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.558 11.324 -2.373 1.00 0.00 C ATOM 70 CG2 ILE A 5 3.290 9.840 -4.366 1.00 0.00 C ATOM 71 CD1 ILE A 5 5.028 11.706 -2.200 1.00 0.00 C ATOM 0 H ILE A 5 1.338 11.064 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 5 2.130 8.169 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 5 4.369 9.336 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.082 11.986 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.026 11.447 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.148 10.320 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.222 8.806 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.379 10.372 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.098 12.740 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.489 11.052 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.546 11.599 -3.153 1.00 0.00 H new ATOM 83 N ILE A 6 3.470 8.508 -0.193 1.00 0.00 N ATOM 84 CA ILE A 6 3.689 8.429 1.286 1.00 0.00 C ATOM 85 C ILE A 6 4.828 9.367 1.711 1.00 0.00 C ATOM 86 O ILE A 6 5.232 10.239 0.969 1.00 0.00 O ATOM 87 CB ILE A 6 4.032 6.956 1.581 1.00 0.00 C ATOM 88 CG1 ILE A 6 5.542 6.707 1.442 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.277 6.038 0.616 1.00 0.00 C ATOM 90 CD1 ILE A 6 6.032 7.170 0.070 1.00 0.00 C ATOM 0 H ILE A 6 4.167 8.029 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 6 2.808 8.744 1.846 1.00 0.00 H new ATOM 0 HB ILE A 6 3.732 6.738 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.079 7.240 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.756 5.646 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.526 4.999 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.204 6.187 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.563 6.274 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.103 6.988 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.507 6.617 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.835 8.236 -0.046 1.00 0.00 H new ATOM 102 N ASP A 7 5.343 9.202 2.903 1.00 0.00 N ATOM 103 CA ASP A 7 6.445 10.099 3.362 1.00 0.00 C ATOM 104 C ASP A 7 7.510 9.315 4.139 1.00 0.00 C ATOM 105 O ASP A 7 7.875 9.679 5.237 1.00 0.00 O ATOM 106 CB ASP A 7 5.767 11.125 4.269 1.00 0.00 C ATOM 107 CG ASP A 7 6.720 12.294 4.521 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.313 12.766 3.565 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.842 12.699 5.666 1.00 0.00 O ATOM 0 H ASP A 7 5.051 8.491 3.573 1.00 0.00 H new ATOM 0 HA ASP A 7 6.961 10.565 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.848 11.485 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.486 10.661 5.214 1.00 0.00 H new ATOM 114 N ILE A 8 8.004 8.247 3.572 1.00 0.00 N ATOM 115 CA ILE A 8 9.051 7.427 4.254 1.00 0.00 C ATOM 116 C ILE A 8 8.746 7.322 5.744 1.00 0.00 C ATOM 117 O ILE A 8 9.620 7.400 6.584 1.00 0.00 O ATOM 118 CB ILE A 8 10.380 8.152 3.987 1.00 0.00 C ATOM 119 CG1 ILE A 8 11.508 7.120 3.956 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.681 9.194 5.075 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.847 7.829 3.752 1.00 0.00 C ATOM 0 H ILE A 8 7.724 7.903 2.654 1.00 0.00 H new ATOM 0 HA ILE A 8 9.090 6.404 3.880 1.00 0.00 H new ATOM 0 HB ILE A 8 10.303 8.671 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.523 6.555 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.338 6.404 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.628 9.687 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.883 9.936 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.747 8.700 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.650 7.092 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.830 8.375 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.018 8.527 4.572 1.00 0.00 H new ATOM 133 N GLY A 9 7.502 7.156 6.068 1.00 0.00 N ATOM 134 CA GLY A 9 7.114 7.056 7.507 1.00 0.00 C ATOM 135 C GLY A 9 5.911 6.119 7.698 1.00 0.00 C ATOM 136 O GLY A 9 6.025 5.086 8.330 1.00 0.00 O ATOM 0 H GLY A 9 6.731 7.084 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.959 6.689 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.870 8.047 7.890 1.00 0.00 H new ATOM 140 N PRO A 10 4.786 6.525 7.173 1.00 0.00 N ATOM 141 CA PRO A 10 3.547 5.723 7.325 1.00 0.00 C ATOM 142 C PRO A 10 3.563 4.493 6.414 1.00 0.00 C ATOM 143 O PRO A 10 3.933 3.414 6.827 1.00 0.00 O ATOM 144 CB PRO A 10 2.442 6.693 6.919 1.00 0.00 C ATOM 145 CG PRO A 10 3.102 7.694 6.022 1.00 0.00 C ATOM 146 CD PRO A 10 4.564 7.744 6.393 1.00 0.00 C ATOM 0 HA PRO A 10 3.420 5.332 8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.634 6.175 6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.003 7.177 7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.982 7.410 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.643 8.676 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.198 7.769 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.795 8.636 6.976 1.00 0.00 H new ATOM 154 N PHE A 11 3.152 4.646 5.185 1.00 0.00 N ATOM 155 CA PHE A 11 3.130 3.483 4.248 1.00 0.00 C ATOM 156 C PHE A 11 4.361 2.597 4.456 1.00 0.00 C ATOM 157 O PHE A 11 4.325 1.406 4.222 1.00 0.00 O ATOM 158 CB PHE A 11 3.128 4.101 2.853 1.00 0.00 C ATOM 159 CG PHE A 11 1.757 4.667 2.564 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.424 5.959 2.995 1.00 0.00 C ATOM 161 CD2 PHE A 11 0.815 3.897 1.871 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.152 6.478 2.733 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.457 4.419 1.608 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.788 5.710 2.040 1.00 0.00 C ATOM 0 H PHE A 11 2.829 5.528 4.787 1.00 0.00 H new ATOM 0 HA PHE A 11 2.263 2.842 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.880 4.887 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.389 3.349 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.150 6.554 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.070 2.901 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.104 7.473 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.183 3.826 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.770 6.112 1.837 1.00 0.00 H new ATOM 174 N THR A 12 5.445 3.161 4.916 1.00 0.00 N ATOM 175 CA THR A 12 6.656 2.347 5.162 1.00 0.00 C ATOM 176 C THR A 12 6.324 1.281 6.196 1.00 0.00 C ATOM 177 O THR A 12 6.438 0.094 5.956 1.00 0.00 O ATOM 178 CB THR A 12 7.673 3.333 5.729 1.00 0.00 C ATOM 179 OG1 THR A 12 7.325 3.653 7.067 1.00 0.00 O ATOM 180 CG2 THR A 12 7.691 4.608 4.884 1.00 0.00 C ATOM 0 H THR A 12 5.538 4.154 5.131 1.00 0.00 H new ATOM 0 HA THR A 12 7.030 1.846 4.269 1.00 0.00 H new ATOM 0 HB THR A 12 8.664 2.879 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.481 4.151 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.419 5.307 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.964 4.361 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.702 5.066 4.896 1.00 0.00 H new ATOM 188 N GLN A 13 5.893 1.707 7.348 1.00 0.00 N ATOM 189 CA GLN A 13 5.531 0.724 8.409 1.00 0.00 C ATOM 190 C GLN A 13 4.423 -0.198 7.893 1.00 0.00 C ATOM 191 O GLN A 13 4.161 -1.250 8.443 1.00 0.00 O ATOM 192 CB GLN A 13 5.050 1.568 9.599 1.00 0.00 C ATOM 193 CG GLN A 13 3.579 1.956 9.415 1.00 0.00 C ATOM 194 CD GLN A 13 3.287 3.241 10.191 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.101 4.144 10.223 1.00 0.00 O ATOM 196 NE2 GLN A 13 2.152 3.363 10.824 1.00 0.00 N ATOM 0 H GLN A 13 5.775 2.688 7.602 1.00 0.00 H new ATOM 0 HA GLN A 13 6.366 0.086 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.172 1.006 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.662 2.466 9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.360 2.100 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.933 1.152 9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.469 2.606 10.797 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.948 4.216 11.345 1.00 0.00 H new ATOM 205 N ASN A 14 3.780 0.195 6.831 1.00 0.00 N ATOM 206 CA ASN A 14 2.692 -0.643 6.254 1.00 0.00 C ATOM 207 C ASN A 14 3.287 -1.821 5.494 1.00 0.00 C ATOM 208 O ASN A 14 3.044 -2.968 5.810 1.00 0.00 O ATOM 209 CB ASN A 14 1.933 0.285 5.304 1.00 0.00 C ATOM 210 CG ASN A 14 0.540 0.566 5.870 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.228 1.686 6.221 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.318 -0.412 5.974 1.00 0.00 N ATOM 0 H ASN A 14 3.962 1.067 6.334 1.00 0.00 H new ATOM 0 HA ASN A 14 2.038 -1.057 7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.480 1.219 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.851 -0.174 4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.250 -0.235 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.057 -1.353 5.679 1.00 0.00 H new ATOM 219 N LEU A 15 4.068 -1.542 4.497 1.00 0.00 N ATOM 220 CA LEU A 15 4.691 -2.643 3.712 1.00 0.00 C ATOM 221 C LEU A 15 5.213 -3.715 4.667 1.00 0.00 C ATOM 222 O LEU A 15 5.167 -4.893 4.381 1.00 0.00 O ATOM 223 CB LEU A 15 5.834 -1.988 2.923 1.00 0.00 C ATOM 224 CG LEU A 15 7.093 -1.871 3.789 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.831 -3.210 3.806 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.011 -0.794 3.205 1.00 0.00 C ATOM 0 H LEU A 15 4.305 -0.599 4.188 1.00 0.00 H new ATOM 0 HA LEU A 15 3.987 -3.132 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.053 -2.578 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.527 -0.999 2.583 1.00 0.00 H new ATOM 0 HG LEU A 15 6.809 -1.601 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.726 -3.124 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.179 -3.980 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.115 -3.482 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.908 -0.708 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.292 -1.068 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.488 0.162 3.192 1.00 0.00 H new ATOM 238 N GLY A 16 5.694 -3.314 5.812 1.00 0.00 N ATOM 239 CA GLY A 16 6.200 -4.315 6.790 1.00 0.00 C ATOM 240 C GLY A 16 5.040 -5.219 7.207 1.00 0.00 C ATOM 241 O GLY A 16 5.109 -6.427 7.099 1.00 0.00 O ATOM 0 H GLY A 16 5.758 -2.341 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.000 -4.907 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.621 -3.813 7.661 1.00 0.00 H new ATOM 245 N LYS A 17 3.969 -4.637 7.672 1.00 0.00 N ATOM 246 CA LYS A 17 2.793 -5.452 8.088 1.00 0.00 C ATOM 247 C LYS A 17 2.078 -6.007 6.860 1.00 0.00 C ATOM 248 O LYS A 17 2.052 -7.198 6.621 1.00 0.00 O ATOM 249 CB LYS A 17 1.887 -4.478 8.843 1.00 0.00 C ATOM 250 CG LYS A 17 1.889 -4.830 10.332 1.00 0.00 C ATOM 251 CD LYS A 17 1.708 -3.553 11.157 1.00 0.00 C ATOM 252 CE LYS A 17 2.809 -3.470 12.218 1.00 0.00 C ATOM 253 NZ LYS A 17 2.231 -2.631 13.304 1.00 0.00 N ATOM 0 H LYS A 17 3.857 -3.629 7.782 1.00 0.00 H new ATOM 0 HA LYS A 17 3.076 -6.306 8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.235 -3.455 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.872 -4.528 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.087 -5.535 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.825 -5.320 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.748 -2.679 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.728 -3.551 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.080 -4.460 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.716 -3.022 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.927 -2.527 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.989 -1.693 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.373 -3.086 13.675 1.00 0.00 H new ATOM 267 N PHE A 18 1.504 -5.143 6.086 1.00 0.00 N ATOM 268 CA PHE A 18 0.780 -5.584 4.857 1.00 0.00 C ATOM 269 C PHE A 18 1.553 -6.694 4.153 1.00 0.00 C ATOM 270 O PHE A 18 1.183 -7.851 4.196 1.00 0.00 O ATOM 271 CB PHE A 18 0.707 -4.340 3.972 1.00 0.00 C ATOM 272 CG PHE A 18 -0.618 -3.649 4.184 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.248 -3.708 5.433 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.218 -2.948 3.130 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.477 -3.066 5.627 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.447 -2.306 3.325 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.076 -2.366 4.574 1.00 0.00 C ATOM 0 H PHE A 18 1.501 -4.136 6.248 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.208 -5.983 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.526 -3.661 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.820 -4.619 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.786 -4.248 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.732 -2.903 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.963 -3.111 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.909 -1.765 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.024 -1.872 4.725 1.00 0.00 H new ATOM 287 N ALA A 19 2.618 -6.341 3.504 1.00 0.00 N ATOM 288 CA ALA A 19 3.437 -7.357 2.783 1.00 0.00 C ATOM 289 C ALA A 19 3.537 -8.635 3.614 1.00 0.00 C ATOM 290 O ALA A 19 2.989 -9.652 3.260 1.00 0.00 O ATOM 291 CB ALA A 19 4.814 -6.716 2.616 1.00 0.00 C ATOM 0 H ALA A 19 2.964 -5.384 3.438 1.00 0.00 H new ATOM 0 HA ALA A 19 3.001 -7.633 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.475 -7.406 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.719 -5.796 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.231 -6.489 3.597 1.00 0.00 H new ATOM 297 N VAL A 20 4.220 -8.589 4.724 1.00 0.00 N ATOM 298 CA VAL A 20 4.334 -9.812 5.571 1.00 0.00 C ATOM 299 C VAL A 20 2.979 -10.528 5.645 1.00 0.00 C ATOM 300 O VAL A 20 2.910 -11.725 5.843 1.00 0.00 O ATOM 301 CB VAL A 20 4.769 -9.296 6.944 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.395 -10.309 8.030 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.285 -9.085 6.948 1.00 0.00 C ATOM 0 H VAL A 20 4.702 -7.764 5.081 1.00 0.00 H new ATOM 0 HA VAL A 20 5.044 -10.538 5.174 1.00 0.00 H new ATOM 0 HB VAL A 20 4.263 -8.352 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.709 -9.932 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.315 -10.460 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.894 -11.257 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.599 -8.717 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.785 -10.031 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.553 -8.356 6.183 1.00 0.00 H new ATOM 313 N ASP A 21 1.902 -9.806 5.477 1.00 0.00 N ATOM 314 CA ASP A 21 0.557 -10.450 5.527 1.00 0.00 C ATOM 315 C ASP A 21 0.087 -10.796 4.113 1.00 0.00 C ATOM 316 O ASP A 21 -0.040 -11.953 3.764 1.00 0.00 O ATOM 317 CB ASP A 21 -0.363 -9.410 6.165 1.00 0.00 C ATOM 318 CG ASP A 21 -0.184 -9.431 7.684 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.731 -10.323 8.312 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.496 -8.556 8.193 1.00 0.00 O ATOM 0 H ASP A 21 1.896 -8.800 5.308 1.00 0.00 H new ATOM 0 HA ASP A 21 0.565 -11.381 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.133 -8.418 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.401 -9.621 5.908 1.00 0.00 H new ATOM 325 N GLU A 22 -0.172 -9.816 3.289 1.00 0.00 N ATOM 326 CA GLU A 22 -0.626 -10.136 1.906 1.00 0.00 C ATOM 327 C GLU A 22 0.437 -10.977 1.211 1.00 0.00 C ATOM 328 O GLU A 22 0.145 -11.774 0.349 1.00 0.00 O ATOM 329 CB GLU A 22 -0.831 -8.789 1.205 1.00 0.00 C ATOM 330 CG GLU A 22 -1.761 -7.912 2.046 1.00 0.00 C ATOM 331 CD GLU A 22 -3.195 -8.046 1.526 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.409 -8.856 0.639 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.053 -7.336 2.024 1.00 0.00 O ATOM 0 H GLU A 22 -0.091 -8.823 3.509 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.551 -10.713 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.128 -8.290 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.258 -8.944 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.713 -8.211 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.440 -6.871 1.997 1.00 0.00 H new ATOM 340 N GLU A 23 1.663 -10.836 1.612 1.00 0.00 N ATOM 341 CA GLU A 23 2.743 -11.663 1.003 1.00 0.00 C ATOM 342 C GLU A 23 2.663 -13.067 1.590 1.00 0.00 C ATOM 343 O GLU A 23 2.414 -14.026 0.892 1.00 0.00 O ATOM 344 CB GLU A 23 4.058 -10.983 1.387 1.00 0.00 C ATOM 345 CG GLU A 23 5.150 -11.391 0.397 1.00 0.00 C ATOM 346 CD GLU A 23 6.225 -12.195 1.128 1.00 0.00 C ATOM 347 OE1 GLU A 23 5.923 -13.297 1.556 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.332 -11.696 1.247 1.00 0.00 O ATOM 0 H GLU A 23 1.969 -10.185 2.335 1.00 0.00 H new ATOM 0 HA GLU A 23 2.657 -11.744 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.935 -9.900 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.345 -11.267 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.721 -11.986 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.591 -10.505 -0.060 1.00 0.00 H new ATOM 355 N ASN A 24 2.832 -13.201 2.875 1.00 0.00 N ATOM 356 CA ASN A 24 2.713 -14.555 3.470 1.00 0.00 C ATOM 357 C ASN A 24 1.361 -15.128 3.059 1.00 0.00 C ATOM 358 O ASN A 24 1.251 -16.272 2.663 1.00 0.00 O ATOM 359 CB ASN A 24 2.789 -14.349 4.984 1.00 0.00 C ATOM 360 CG ASN A 24 3.126 -15.678 5.664 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.640 -16.718 5.265 1.00 0.00 O ATOM 362 ND2 ASN A 24 3.942 -15.688 6.682 1.00 0.00 N ATOM 0 H ASN A 24 3.043 -12.446 3.527 1.00 0.00 H new ATOM 0 HA ASN A 24 3.491 -15.245 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.548 -13.604 5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.839 -13.968 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.172 -16.569 7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.350 -14.815 7.017 1.00 0.00 H new ATOM 369 N LYS A 25 0.334 -14.323 3.119 1.00 0.00 N ATOM 370 CA LYS A 25 -1.007 -14.807 2.696 1.00 0.00 C ATOM 371 C LYS A 25 -0.926 -15.320 1.263 1.00 0.00 C ATOM 372 O LYS A 25 -1.201 -16.469 0.981 1.00 0.00 O ATOM 373 CB LYS A 25 -1.921 -13.583 2.783 1.00 0.00 C ATOM 374 CG LYS A 25 -3.372 -14.012 2.551 1.00 0.00 C ATOM 375 CD LYS A 25 -3.694 -15.222 3.430 1.00 0.00 C ATOM 376 CE LYS A 25 -5.209 -15.337 3.606 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.691 -15.994 2.359 1.00 0.00 N ATOM 0 H LYS A 25 0.367 -13.356 3.441 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.377 -15.624 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.822 -13.111 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.626 -12.842 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.047 -13.189 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.525 -14.261 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.300 -16.131 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.211 -15.118 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.461 -15.928 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.667 -14.357 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.724 -16.108 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.443 -15.405 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.243 -16.928 2.263 1.00 0.00 H new ATOM 391 N ILE A 26 -0.539 -14.472 0.359 1.00 0.00 N ATOM 392 CA ILE A 26 -0.422 -14.902 -1.068 1.00 0.00 C ATOM 393 C ILE A 26 0.501 -16.120 -1.164 1.00 0.00 C ATOM 394 O ILE A 26 0.468 -16.871 -2.119 1.00 0.00 O ATOM 395 CB ILE A 26 0.148 -13.684 -1.824 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.322 -13.710 -3.281 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.683 -13.679 -1.794 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.112 -15.105 -3.869 1.00 0.00 C ATOM 0 H ILE A 26 -0.297 -13.498 0.540 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.378 -15.203 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.215 -12.783 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.376 -13.437 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.230 -12.973 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.055 -12.809 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.027 -13.638 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.059 -14.587 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.448 -15.117 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.947 -15.362 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.684 -15.832 -3.293 1.00 0.00 H new ATOM 410 N GLY A 27 1.314 -16.327 -0.168 1.00 0.00 N ATOM 411 CA GLY A 27 2.231 -17.502 -0.185 1.00 0.00 C ATOM 412 C GLY A 27 3.463 -17.188 -1.036 1.00 0.00 C ATOM 413 O GLY A 27 3.731 -17.847 -2.020 1.00 0.00 O ATOM 0 H GLY A 27 1.384 -15.734 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.534 -17.752 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.713 -18.373 -0.587 1.00 0.00 H new ATOM 417 N GLN A 28 4.217 -16.191 -0.663 1.00 0.00 N ATOM 418 CA GLN A 28 5.434 -15.843 -1.449 1.00 0.00 C ATOM 419 C GLN A 28 6.679 -15.974 -0.567 1.00 0.00 C ATOM 420 O GLN A 28 7.677 -16.543 -0.964 1.00 0.00 O ATOM 421 CB GLN A 28 5.229 -14.390 -1.878 1.00 0.00 C ATOM 422 CG GLN A 28 5.732 -14.207 -3.313 1.00 0.00 C ATOM 423 CD GLN A 28 6.051 -12.732 -3.563 1.00 0.00 C ATOM 424 OE1 GLN A 28 5.686 -12.185 -4.585 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.724 -12.059 -2.669 1.00 0.00 N ATOM 0 H GLN A 28 4.043 -15.602 0.152 1.00 0.00 H new ATOM 0 HA GLN A 28 5.578 -16.501 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.173 -14.126 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.766 -13.721 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.622 -14.814 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.977 -14.551 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.031 -12.517 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.943 -11.076 -2.829 1.00 0.00 H new ATOM 486 N LEU A 32 9.621 -11.212 6.632 1.00 0.00 N ATOM 487 CA LEU A 32 9.535 -9.852 7.243 1.00 0.00 C ATOM 488 C LEU A 32 9.697 -8.773 6.172 1.00 0.00 C ATOM 489 O LEU A 32 10.494 -7.868 6.311 1.00 0.00 O ATOM 490 CB LEU A 32 10.687 -9.786 8.249 1.00 0.00 C ATOM 491 CG LEU A 32 11.922 -10.494 7.682 1.00 0.00 C ATOM 492 CD1 LEU A 32 12.219 -9.975 6.273 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.122 -10.215 8.587 1.00 0.00 C ATOM 0 HA LEU A 32 8.570 -9.682 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.925 -8.746 8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.388 -10.254 9.187 1.00 0.00 H new ATOM 0 HG LEU A 32 11.733 -11.567 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.098 -10.483 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.364 -10.170 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.407 -8.902 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.003 -10.717 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.304 -9.141 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.916 -10.588 9.590 1.00 0.00 H new ATOM 505 N THR A 33 8.946 -8.870 5.110 1.00 0.00 N ATOM 506 CA THR A 33 9.035 -7.862 4.007 1.00 0.00 C ATOM 507 C THR A 33 9.283 -6.457 4.573 1.00 0.00 C ATOM 508 O THR A 33 8.360 -5.727 4.870 1.00 0.00 O ATOM 509 CB THR A 33 7.669 -7.918 3.310 1.00 0.00 C ATOM 510 OG1 THR A 33 6.837 -8.872 3.958 1.00 0.00 O ATOM 511 CG2 THR A 33 7.849 -8.315 1.842 1.00 0.00 C ATOM 0 H THR A 33 8.265 -9.613 4.954 1.00 0.00 H new ATOM 0 HA THR A 33 9.859 -8.077 3.326 1.00 0.00 H new ATOM 0 HB THR A 33 7.204 -6.934 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.972 -9.753 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.875 -8.353 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.478 -7.580 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.322 -9.296 1.786 1.00 0.00 H new ATOM 519 N PHE A 34 10.529 -6.078 4.724 1.00 0.00 N ATOM 520 CA PHE A 34 10.856 -4.725 5.272 1.00 0.00 C ATOM 521 C PHE A 34 12.336 -4.675 5.671 1.00 0.00 C ATOM 522 O PHE A 34 12.741 -5.277 6.647 1.00 0.00 O ATOM 523 CB PHE A 34 9.958 -4.557 6.508 1.00 0.00 C ATOM 524 CG PHE A 34 10.536 -3.504 7.426 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.727 -2.198 6.961 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.880 -3.835 8.742 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.262 -1.222 7.811 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.416 -2.861 9.592 1.00 0.00 C ATOM 529 CZ PHE A 34 11.607 -1.555 9.127 1.00 0.00 C ATOM 0 H PHE A 34 11.339 -6.652 4.489 1.00 0.00 H new ATOM 0 HA PHE A 34 10.687 -3.931 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.952 -4.271 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.872 -5.506 7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.462 -1.943 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.732 -4.843 9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.408 -0.214 7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.682 -3.117 10.607 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.021 -0.804 9.783 1.00 0.00 H new ATOM 539 N ASN A 35 13.150 -3.970 4.931 1.00 0.00 N ATOM 540 CA ASN A 35 14.597 -3.904 5.289 1.00 0.00 C ATOM 541 C ASN A 35 15.253 -2.632 4.735 1.00 0.00 C ATOM 542 O ASN A 35 15.718 -1.793 5.479 1.00 0.00 O ATOM 543 CB ASN A 35 15.217 -5.146 4.650 1.00 0.00 C ATOM 544 CG ASN A 35 16.000 -5.927 5.707 1.00 0.00 C ATOM 545 OD1 ASN A 35 16.077 -7.138 5.649 1.00 0.00 O ATOM 546 ND2 ASN A 35 16.589 -5.282 6.675 1.00 0.00 N ATOM 0 H ASN A 35 12.879 -3.442 4.102 1.00 0.00 H new ATOM 0 HA ASN A 35 14.742 -3.874 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.437 -5.775 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.878 -4.856 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.114 -5.794 7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.524 -4.265 6.724 1.00 0.00 H new ATOM 553 N LYS A 36 15.318 -2.490 3.437 1.00 0.00 N ATOM 554 CA LYS A 36 15.975 -1.280 2.857 1.00 0.00 C ATOM 555 C LYS A 36 15.142 -0.010 3.112 1.00 0.00 C ATOM 556 O LYS A 36 15.212 0.566 4.179 1.00 0.00 O ATOM 557 CB LYS A 36 16.111 -1.576 1.363 1.00 0.00 C ATOM 558 CG LYS A 36 17.527 -2.082 1.080 1.00 0.00 C ATOM 559 CD LYS A 36 18.255 -1.087 0.174 1.00 0.00 C ATOM 560 CE LYS A 36 19.331 -0.356 0.980 1.00 0.00 C ATOM 561 NZ LYS A 36 20.393 -1.374 1.214 1.00 0.00 N ATOM 0 H LYS A 36 14.948 -3.154 2.757 1.00 0.00 H new ATOM 0 HA LYS A 36 16.944 -1.086 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.377 -2.323 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.910 -0.676 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.074 -2.206 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.486 -3.061 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.709 -1.610 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.546 -0.370 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.720 0.502 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.931 0.021 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.510 -1.525 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.121 -2.270 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 21.290 -1.039 0.809 1.00 0.00 H new ATOM 575 N VAL A 37 14.377 0.455 2.152 1.00 0.00 N ATOM 576 CA VAL A 37 13.590 1.706 2.389 1.00 0.00 C ATOM 577 C VAL A 37 12.403 1.825 1.417 1.00 0.00 C ATOM 578 O VAL A 37 12.258 1.051 0.491 1.00 0.00 O ATOM 579 CB VAL A 37 14.599 2.832 2.141 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.865 4.151 1.890 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.503 2.980 3.365 1.00 0.00 C ATOM 0 H VAL A 37 14.265 0.031 1.231 1.00 0.00 H new ATOM 0 HA VAL A 37 13.156 1.731 3.389 1.00 0.00 H new ATOM 0 HB VAL A 37 15.199 2.586 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.592 4.944 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.222 4.049 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.258 4.401 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.222 3.781 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.897 3.220 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.036 2.045 3.539 1.00 0.00 H new ATOM 591 N ILE A 38 11.560 2.805 1.634 1.00 0.00 N ATOM 592 CA ILE A 38 10.375 3.013 0.744 1.00 0.00 C ATOM 593 C ILE A 38 10.338 4.462 0.251 1.00 0.00 C ATOM 594 O ILE A 38 9.890 5.355 0.943 1.00 0.00 O ATOM 595 CB ILE A 38 9.142 2.689 1.613 1.00 0.00 C ATOM 596 CG1 ILE A 38 7.909 3.429 1.079 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.384 3.119 3.063 1.00 0.00 C ATOM 598 CD1 ILE A 38 6.670 2.552 1.255 1.00 0.00 C ATOM 0 H ILE A 38 11.643 3.476 2.397 1.00 0.00 H new ATOM 0 HA ILE A 38 10.408 2.380 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 38 8.972 1.613 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.779 4.371 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.047 3.674 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.505 2.884 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.248 2.587 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.571 4.192 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.794 3.079 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.801 1.621 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.529 2.329 2.313 1.00 0.00 H new ATOM 610 N ARG A 39 10.803 4.695 -0.945 1.00 0.00 N ATOM 611 CA ARG A 39 10.794 6.080 -1.491 1.00 0.00 C ATOM 612 C ARG A 39 9.734 6.206 -2.601 1.00 0.00 C ATOM 613 O ARG A 39 8.881 7.068 -2.534 1.00 0.00 O ATOM 614 CB ARG A 39 12.225 6.307 -2.015 1.00 0.00 C ATOM 615 CG ARG A 39 12.205 7.086 -3.338 1.00 0.00 C ATOM 616 CD ARG A 39 13.497 7.894 -3.475 1.00 0.00 C ATOM 617 NE ARG A 39 13.838 7.830 -4.923 1.00 0.00 N ATOM 618 CZ ARG A 39 14.849 8.513 -5.386 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.713 9.785 -5.645 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.995 7.925 -5.591 1.00 0.00 N ATOM 0 H ARG A 39 11.189 3.985 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 39 10.530 6.832 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.806 6.856 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.720 5.347 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.104 6.397 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.342 7.752 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.355 8.924 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.294 7.472 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 39 13.281 7.252 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.817 10.245 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.503 10.319 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.101 6.931 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.785 8.459 -5.953 1.00 0.00 H new ATOM 634 N PRO A 40 9.819 5.349 -3.591 1.00 0.00 N ATOM 635 CA PRO A 40 8.850 5.392 -4.704 1.00 0.00 C ATOM 636 C PRO A 40 7.575 4.608 -4.364 1.00 0.00 C ATOM 637 O PRO A 40 7.114 3.769 -5.121 1.00 0.00 O ATOM 638 CB PRO A 40 9.613 4.761 -5.861 1.00 0.00 C ATOM 639 CG PRO A 40 10.666 3.889 -5.236 1.00 0.00 C ATOM 640 CD PRO A 40 10.802 4.278 -3.779 1.00 0.00 C ATOM 0 HA PRO A 40 8.505 6.400 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.947 4.175 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.064 5.525 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.390 2.838 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.618 4.013 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.598 3.433 -3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.811 4.622 -3.553 1.00 0.00 H new ATOM 648 N CYS A 41 6.990 4.888 -3.236 1.00 0.00 N ATOM 649 CA CYS A 41 5.734 4.183 -2.858 1.00 0.00 C ATOM 650 C CYS A 41 4.536 5.121 -3.056 1.00 0.00 C ATOM 651 O CYS A 41 4.329 6.047 -2.295 1.00 0.00 O ATOM 652 CB CYS A 41 5.898 3.829 -1.383 1.00 0.00 C ATOM 653 SG CYS A 41 4.330 3.185 -0.751 1.00 0.00 S ATOM 0 H CYS A 41 7.325 5.573 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 41 5.557 3.296 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.686 3.086 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.199 4.710 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 41 3.478 3.083 -1.727 1.00 0.00 H new ATOM 659 N MET A 42 3.750 4.897 -4.073 1.00 0.00 N ATOM 660 CA MET A 42 2.573 5.784 -4.313 1.00 0.00 C ATOM 661 C MET A 42 1.308 5.152 -3.727 1.00 0.00 C ATOM 662 O MET A 42 1.233 3.955 -3.535 1.00 0.00 O ATOM 663 CB MET A 42 2.463 5.894 -5.834 1.00 0.00 C ATOM 664 CG MET A 42 3.751 6.495 -6.397 1.00 0.00 C ATOM 665 SD MET A 42 3.933 6.016 -8.133 1.00 0.00 S ATOM 666 CE MET A 42 5.726 5.774 -8.116 1.00 0.00 C ATOM 0 H MET A 42 3.870 4.141 -4.747 1.00 0.00 H new ATOM 0 HA MET A 42 2.688 6.760 -3.842 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.288 4.910 -6.269 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.610 6.517 -6.103 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.727 7.581 -6.309 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.609 6.148 -5.821 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.061 5.469 -9.107 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.216 6.707 -7.838 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.982 5.000 -7.392 1.00 0.00 H new ATOM 676 N LYS A 43 0.312 5.947 -3.435 1.00 0.00 N ATOM 677 CA LYS A 43 -0.940 5.382 -2.855 1.00 0.00 C ATOM 678 C LYS A 43 -2.177 6.013 -3.501 1.00 0.00 C ATOM 679 O LYS A 43 -2.142 7.123 -3.994 1.00 0.00 O ATOM 680 CB LYS A 43 -0.873 5.725 -1.363 1.00 0.00 C ATOM 681 CG LYS A 43 -2.273 5.638 -0.748 1.00 0.00 C ATOM 682 CD LYS A 43 -2.897 7.035 -0.698 1.00 0.00 C ATOM 683 CE LYS A 43 -4.402 6.911 -0.446 1.00 0.00 C ATOM 684 NZ LYS A 43 -4.794 8.204 0.180 1.00 0.00 N ATOM 0 H LYS A 43 0.312 6.958 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.020 4.309 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.198 5.038 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.468 6.728 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.900 4.969 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.215 5.218 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.432 7.625 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.716 7.560 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.945 6.741 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.625 6.070 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.621 8.056 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.003 8.569 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.033 8.891 -0.563 1.00 0.00 H new ATOM 698 N LYS A 44 -3.274 5.304 -3.487 1.00 0.00 N ATOM 699 CA LYS A 44 -4.529 5.839 -4.082 1.00 0.00 C ATOM 700 C LYS A 44 -5.731 5.073 -3.521 1.00 0.00 C ATOM 701 O LYS A 44 -5.597 3.971 -3.028 1.00 0.00 O ATOM 702 CB LYS A 44 -4.389 5.600 -5.587 1.00 0.00 C ATOM 703 CG LYS A 44 -5.598 6.192 -6.314 1.00 0.00 C ATOM 704 CD LYS A 44 -5.780 5.484 -7.658 1.00 0.00 C ATOM 705 CE LYS A 44 -5.944 6.526 -8.767 1.00 0.00 C ATOM 706 NZ LYS A 44 -5.930 5.741 -10.033 1.00 0.00 N ATOM 0 H LYS A 44 -3.353 4.370 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.685 6.894 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.471 6.058 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.316 4.532 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.495 6.076 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.455 7.261 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.919 4.849 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.654 4.834 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.877 7.079 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.135 7.257 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.038 6.385 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.028 5.230 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.715 5.059 -10.027 1.00 0.00 H new ATOM 720 N THR A 45 -6.901 5.641 -3.583 1.00 0.00 N ATOM 721 CA THR A 45 -8.095 4.928 -3.044 1.00 0.00 C ATOM 722 C THR A 45 -9.375 5.500 -3.649 1.00 0.00 C ATOM 723 O THR A 45 -9.452 6.666 -3.979 1.00 0.00 O ATOM 724 CB THR A 45 -8.059 5.179 -1.531 1.00 0.00 C ATOM 725 OG1 THR A 45 -6.967 4.468 -0.967 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.367 4.701 -0.883 1.00 0.00 C ATOM 0 H THR A 45 -7.084 6.562 -3.981 1.00 0.00 H new ATOM 0 HA THR A 45 -8.080 3.865 -3.283 1.00 0.00 H new ATOM 0 HB THR A 45 -7.943 6.247 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.193 4.193 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.329 4.884 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.207 5.245 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.494 3.634 -1.064 1.00 0.00 H new ATOM 734 N ILE A 46 -10.390 4.693 -3.763 1.00 0.00 N ATOM 735 CA ILE A 46 -11.677 5.188 -4.305 1.00 0.00 C ATOM 736 C ILE A 46 -12.715 5.016 -3.216 1.00 0.00 C ATOM 737 O ILE A 46 -13.642 4.255 -3.341 1.00 0.00 O ATOM 738 CB ILE A 46 -11.996 4.291 -5.490 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.318 4.744 -6.111 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.124 2.850 -5.002 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.070 5.240 -7.536 1.00 0.00 C ATOM 0 H ILE A 46 -10.381 3.707 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.650 6.233 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.203 4.353 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.029 3.918 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.761 5.538 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.353 2.199 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.185 2.536 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.925 2.785 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.013 5.563 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.374 6.078 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.646 4.433 -8.134 1.00 0.00 H new ATOM 898 N GLY A 55 -13.100 1.562 -1.197 1.00 0.00 N ATOM 899 CA GLY A 55 -11.932 0.664 -0.977 1.00 0.00 C ATOM 900 C GLY A 55 -10.611 1.396 -1.163 1.00 0.00 C ATOM 901 O GLY A 55 -10.562 2.545 -1.550 1.00 0.00 O ATOM 0 HA2 GLY A 55 -11.978 0.248 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.983 -0.175 -1.671 1.00 0.00 H new ATOM 905 N TYR A 56 -9.535 0.709 -0.889 1.00 0.00 N ATOM 906 CA TYR A 56 -8.187 1.314 -1.038 1.00 0.00 C ATOM 907 C TYR A 56 -7.392 0.559 -2.108 1.00 0.00 C ATOM 908 O TYR A 56 -7.821 -0.461 -2.610 1.00 0.00 O ATOM 909 CB TYR A 56 -7.531 1.138 0.332 1.00 0.00 C ATOM 910 CG TYR A 56 -7.605 2.433 1.103 1.00 0.00 C ATOM 911 CD1 TYR A 56 -8.815 2.834 1.683 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.464 3.233 1.239 1.00 0.00 C ATOM 913 CE1 TYR A 56 -8.883 4.035 2.401 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.532 4.434 1.957 1.00 0.00 C ATOM 915 CZ TYR A 56 -7.741 4.835 2.537 1.00 0.00 C ATOM 916 OH TYR A 56 -7.808 6.017 3.244 1.00 0.00 O ATOM 0 H TYR A 56 -9.536 -0.258 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.228 2.359 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.032 0.345 0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.491 0.835 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.695 2.218 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.531 2.924 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.816 4.344 2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.652 5.050 2.063 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.928 6.449 3.243 1.00 0.00 H new ATOM 926 N GLU A 57 -6.236 1.050 -2.448 1.00 0.00 N ATOM 927 CA GLU A 57 -5.399 0.367 -3.477 1.00 0.00 C ATOM 928 C GLU A 57 -4.121 1.172 -3.700 1.00 0.00 C ATOM 929 O GLU A 57 -4.165 2.371 -3.884 1.00 0.00 O ATOM 930 CB GLU A 57 -6.252 0.346 -4.747 1.00 0.00 C ATOM 931 CG GLU A 57 -6.660 1.775 -5.112 1.00 0.00 C ATOM 932 CD GLU A 57 -6.047 2.151 -6.462 1.00 0.00 C ATOM 933 OE1 GLU A 57 -4.930 2.641 -6.467 1.00 0.00 O ATOM 934 OE2 GLU A 57 -6.705 1.940 -7.468 1.00 0.00 O ATOM 0 H GLU A 57 -5.830 1.900 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.107 -0.640 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.692 -0.104 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.139 -0.268 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.746 1.854 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.323 2.469 -4.342 1.00 0.00 H new ATOM 941 N TYR A 58 -2.978 0.545 -3.673 1.00 0.00 N ATOM 942 CA TYR A 58 -1.727 1.348 -3.871 1.00 0.00 C ATOM 943 C TYR A 58 -0.591 0.560 -4.514 1.00 0.00 C ATOM 944 O TYR A 58 -0.626 -0.646 -4.650 1.00 0.00 O ATOM 945 CB TYR A 58 -1.297 1.789 -2.467 1.00 0.00 C ATOM 946 CG TYR A 58 -0.648 0.642 -1.713 1.00 0.00 C ATOM 947 CD1 TYR A 58 0.635 0.175 -2.060 1.00 0.00 C ATOM 948 CD2 TYR A 58 -1.329 0.055 -0.644 1.00 0.00 C ATOM 949 CE1 TYR A 58 1.212 -0.871 -1.333 1.00 0.00 C ATOM 950 CE2 TYR A 58 -0.748 -0.991 0.078 1.00 0.00 C ATOM 951 CZ TYR A 58 0.524 -1.454 -0.266 1.00 0.00 C ATOM 952 OH TYR A 58 1.099 -2.485 0.448 1.00 0.00 O ATOM 0 H TYR A 58 -2.850 -0.456 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.934 2.176 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.598 2.622 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.164 2.149 -1.913 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.171 0.623 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.312 0.412 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.195 -1.230 -1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.282 -1.441 0.902 1.00 0.00 H new ATOM 0 HH TYR A 58 1.045 -2.289 1.407 1.00 0.00 H new ATOM 962 N GLN A 59 0.446 1.276 -4.851 1.00 0.00 N ATOM 963 CA GLN A 59 1.665 0.662 -5.432 1.00 0.00 C ATOM 964 C GLN A 59 2.837 1.085 -4.544 1.00 0.00 C ATOM 965 O GLN A 59 3.180 2.248 -4.471 1.00 0.00 O ATOM 966 CB GLN A 59 1.794 1.255 -6.835 1.00 0.00 C ATOM 967 CG GLN A 59 1.546 2.764 -6.777 1.00 0.00 C ATOM 968 CD GLN A 59 0.095 3.060 -7.158 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.575 3.829 -6.497 1.00 0.00 O ATOM 970 NE2 GLN A 59 -0.425 2.479 -8.206 1.00 0.00 N ATOM 0 H GLN A 59 0.496 2.289 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 59 1.636 -0.426 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.787 1.054 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.077 0.784 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.753 3.139 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.224 3.281 -7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.136 1.833 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.392 2.671 -8.468 1.00 0.00 H new ATOM 979 N LEU A 60 3.428 0.164 -3.844 1.00 0.00 N ATOM 980 CA LEU A 60 4.547 0.528 -2.932 1.00 0.00 C ATOM 981 C LEU A 60 5.869 0.111 -3.553 1.00 0.00 C ATOM 982 O LEU A 60 6.542 -0.777 -3.073 1.00 0.00 O ATOM 983 CB LEU A 60 4.259 -0.257 -1.650 1.00 0.00 C ATOM 984 CG LEU A 60 5.491 -0.274 -0.743 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.095 0.182 0.663 1.00 0.00 C ATOM 986 CD2 LEU A 60 6.040 -1.699 -0.667 1.00 0.00 C ATOM 0 H LEU A 60 3.186 -0.827 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 60 4.619 1.599 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.418 0.193 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.970 -1.278 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 60 6.250 0.396 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.972 0.170 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.691 1.194 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.339 -0.492 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.918 -1.717 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.277 -2.362 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.317 -2.036 -1.666 1.00 0.00 H new ATOM 998 N TYR A 61 6.252 0.757 -4.616 1.00 0.00 N ATOM 999 CA TYR A 61 7.531 0.409 -5.271 1.00 0.00 C ATOM 1000 C TYR A 61 8.676 0.843 -4.363 1.00 0.00 C ATOM 1001 O TYR A 61 8.915 2.015 -4.161 1.00 0.00 O ATOM 1002 CB TYR A 61 7.484 1.184 -6.581 1.00 0.00 C ATOM 1003 CG TYR A 61 8.874 1.342 -7.152 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.873 0.409 -6.844 1.00 0.00 C ATOM 1005 CD2 TYR A 61 9.165 2.424 -7.992 1.00 0.00 C ATOM 1006 CE1 TYR A 61 11.159 0.560 -7.376 1.00 0.00 C ATOM 1007 CE2 TYR A 61 10.451 2.574 -8.524 1.00 0.00 C ATOM 1008 CZ TYR A 61 11.448 1.642 -8.215 1.00 0.00 C ATOM 1009 OH TYR A 61 12.716 1.790 -8.738 1.00 0.00 O ATOM 0 H TYR A 61 5.729 1.513 -5.058 1.00 0.00 H new ATOM 0 HA TYR A 61 7.681 -0.655 -5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.848 0.663 -7.296 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.039 2.165 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.651 -0.426 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.396 3.144 -8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.929 -0.159 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.674 3.408 -9.172 1.00 0.00 H new ATOM 0 HH TYR A 61 13.093 2.646 -8.445 1.00 0.00 H new ATOM 1019 N VAL A 62 9.361 -0.106 -3.785 1.00 0.00 N ATOM 1020 CA VAL A 62 10.472 0.228 -2.853 1.00 0.00 C ATOM 1021 C VAL A 62 11.406 -0.965 -2.723 1.00 0.00 C ATOM 1022 O VAL A 62 11.377 -1.885 -3.516 1.00 0.00 O ATOM 1023 CB VAL A 62 9.786 0.482 -1.512 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.822 1.663 -1.636 1.00 0.00 C ATOM 1025 CG2 VAL A 62 9.005 -0.765 -1.099 1.00 0.00 C ATOM 0 H VAL A 62 9.197 -1.104 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 62 11.060 1.080 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 62 10.541 0.711 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.336 1.839 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.375 2.555 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.067 1.439 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.514 -0.587 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.254 -0.991 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.689 -1.608 -1.004 1.00 0.00 H new ATOM 1035 N TYR A 63 12.218 -0.971 -1.710 1.00 0.00 N ATOM 1036 CA TYR A 63 13.131 -2.122 -1.510 1.00 0.00 C ATOM 1037 C TYR A 63 13.177 -2.500 -0.035 1.00 0.00 C ATOM 1038 O TYR A 63 13.464 -1.687 0.820 1.00 0.00 O ATOM 1039 CB TYR A 63 14.508 -1.664 -1.982 1.00 0.00 C ATOM 1040 CG TYR A 63 15.494 -2.802 -1.826 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.039 -4.128 -1.714 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.866 -2.534 -1.797 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.958 -5.174 -1.575 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.784 -3.582 -1.658 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.330 -4.902 -1.547 1.00 0.00 C ATOM 1046 OH TYR A 63 18.235 -5.934 -1.411 1.00 0.00 O ATOM 0 H TYR A 63 12.289 -0.230 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 63 12.796 -2.998 -2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.461 -1.348 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.836 -0.801 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.980 -4.339 -1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 63 17.218 -1.517 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.608 -6.192 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.843 -3.372 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 63 19.146 -5.572 -1.411 1.00 0.00 H new ATOM 1056 N ALA A 64 12.890 -3.731 0.268 1.00 0.00 N ATOM 1057 CA ALA A 64 12.915 -4.177 1.683 1.00 0.00 C ATOM 1058 C ALA A 64 13.886 -5.355 1.833 1.00 0.00 C ATOM 1059 O ALA A 64 15.026 -5.279 1.417 1.00 0.00 O ATOM 1060 CB ALA A 64 11.483 -4.609 1.963 1.00 0.00 C ATOM 0 H ALA A 64 12.638 -4.452 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 64 13.249 -3.404 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.403 -4.957 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.812 -3.763 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.207 -5.416 1.285 1.00 0.00 H new ATOM 1066 N SER A 65 13.450 -6.445 2.408 1.00 0.00 N ATOM 1067 CA SER A 65 14.356 -7.619 2.557 1.00 0.00 C ATOM 1068 C SER A 65 14.329 -8.448 1.271 1.00 0.00 C ATOM 1069 O SER A 65 15.351 -8.741 0.682 1.00 0.00 O ATOM 1070 CB SER A 65 13.783 -8.419 3.727 1.00 0.00 C ATOM 1071 OG SER A 65 14.815 -9.209 4.303 1.00 0.00 O ATOM 0 H SER A 65 12.509 -6.572 2.779 1.00 0.00 H new ATOM 0 HA SER A 65 15.392 -7.332 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.365 -7.744 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.969 -9.057 3.383 1.00 0.00 H new ATOM 0 HG SER A 65 15.401 -8.639 4.843 1.00 0.00 H new ATOM 1077 N ASP A 66 13.158 -8.813 0.823 1.00 0.00 N ATOM 1078 CA ASP A 66 13.043 -9.609 -0.433 1.00 0.00 C ATOM 1079 C ASP A 66 12.037 -8.933 -1.369 1.00 0.00 C ATOM 1080 O ASP A 66 11.361 -9.575 -2.148 1.00 0.00 O ATOM 1081 CB ASP A 66 12.534 -10.982 0.007 1.00 0.00 C ATOM 1082 CG ASP A 66 13.023 -12.047 -0.977 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.152 -11.937 -1.426 1.00 0.00 O ATOM 1084 OD2 ASP A 66 12.260 -12.954 -1.265 1.00 0.00 O ATOM 0 H ASP A 66 12.271 -8.593 1.276 1.00 0.00 H new ATOM 0 HA ASP A 66 13.988 -9.689 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.890 -11.209 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.445 -10.982 0.048 1.00 0.00 H new ATOM 1089 N LYS A 67 11.935 -7.635 -1.285 1.00 0.00 N ATOM 1090 CA LYS A 67 10.974 -6.889 -2.148 1.00 0.00 C ATOM 1091 C LYS A 67 11.708 -5.790 -2.923 1.00 0.00 C ATOM 1092 O LYS A 67 11.666 -4.629 -2.576 1.00 0.00 O ATOM 1093 CB LYS A 67 9.978 -6.287 -1.166 1.00 0.00 C ATOM 1094 CG LYS A 67 9.282 -5.080 -1.798 1.00 0.00 C ATOM 1095 CD LYS A 67 9.746 -3.807 -1.086 1.00 0.00 C ATOM 1096 CE LYS A 67 8.801 -3.481 0.074 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.536 -4.779 0.759 1.00 0.00 N ATOM 0 H LYS A 67 12.481 -7.053 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 67 10.489 -7.523 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.238 -7.035 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.492 -5.984 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.517 -5.024 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.200 -5.184 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.761 -3.939 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.771 -2.975 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.254 -2.763 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.875 -3.034 -0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.099 -4.600 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.893 -5.353 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.432 -5.290 0.892 1.00 0.00 H new ATOM 1111 N LEU A 68 12.350 -6.154 -3.981 1.00 0.00 N ATOM 1112 CA LEU A 68 13.064 -5.144 -4.816 1.00 0.00 C ATOM 1113 C LEU A 68 12.095 -4.635 -5.872 1.00 0.00 C ATOM 1114 O LEU A 68 12.317 -4.784 -7.057 1.00 0.00 O ATOM 1115 CB LEU A 68 14.217 -5.900 -5.475 1.00 0.00 C ATOM 1116 CG LEU A 68 15.351 -6.085 -4.470 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.063 -7.304 -3.591 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.667 -6.298 -5.221 1.00 0.00 C ATOM 0 H LEU A 68 12.418 -7.115 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 68 13.431 -4.294 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.872 -6.871 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.575 -5.350 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 68 15.428 -5.197 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 68 15.873 -7.435 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.126 -7.153 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.985 -8.193 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.478 -6.430 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.588 -7.186 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.874 -5.430 -5.846 1.00 0.00 H new ATOM 1130 N PHE A 69 11.000 -4.063 -5.452 1.00 0.00 N ATOM 1131 CA PHE A 69 9.999 -3.584 -6.434 1.00 0.00 C ATOM 1132 C PHE A 69 8.778 -3.023 -5.692 1.00 0.00 C ATOM 1133 O PHE A 69 8.917 -2.388 -4.666 1.00 0.00 O ATOM 1134 CB PHE A 69 9.654 -4.838 -7.250 1.00 0.00 C ATOM 1135 CG PHE A 69 9.471 -6.024 -6.329 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.385 -6.075 -5.449 1.00 0.00 C ATOM 1137 CD2 PHE A 69 10.397 -7.074 -6.361 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.225 -7.176 -4.600 1.00 0.00 C ATOM 1139 CE2 PHE A 69 10.236 -8.174 -5.513 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.151 -8.226 -4.633 1.00 0.00 C ATOM 0 H PHE A 69 10.760 -3.909 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 69 10.358 -2.778 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.742 -4.669 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.448 -5.044 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.671 -5.265 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.235 -7.034 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.387 -7.216 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.950 -8.984 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.027 -9.076 -3.979 1.00 0.00 H new ATOM 1150 N ARG A 70 7.586 -3.227 -6.191 1.00 0.00 N ATOM 1151 CA ARG A 70 6.399 -2.668 -5.482 1.00 0.00 C ATOM 1152 C ARG A 70 5.507 -3.755 -4.910 1.00 0.00 C ATOM 1153 O ARG A 70 5.235 -4.757 -5.537 1.00 0.00 O ATOM 1154 CB ARG A 70 5.611 -1.896 -6.538 1.00 0.00 C ATOM 1155 CG ARG A 70 4.247 -1.466 -5.958 1.00 0.00 C ATOM 1156 CD ARG A 70 3.130 -1.942 -6.891 1.00 0.00 C ATOM 1157 NE ARG A 70 3.118 -0.958 -8.009 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.189 -1.022 -8.924 1.00 0.00 C ATOM 1159 NH1 ARG A 70 0.935 -1.113 -8.573 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.513 -0.994 -10.187 1.00 0.00 N ATOM 0 H ARG A 70 7.386 -3.748 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 70 6.725 -2.049 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.174 -1.019 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.462 -2.518 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.111 -1.890 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.210 -0.382 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.323 -2.951 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.169 -1.967 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 70 3.835 -0.235 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.682 -1.134 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.208 -1.163 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.493 -0.922 -10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.786 -1.044 -10.901 1.00 0.00 H new ATOM 1174 N ALA A 71 4.998 -3.513 -3.741 1.00 0.00 N ATOM 1175 CA ALA A 71 4.051 -4.466 -3.124 1.00 0.00 C ATOM 1176 C ALA A 71 2.654 -3.908 -3.376 1.00 0.00 C ATOM 1177 O ALA A 71 2.248 -2.946 -2.754 1.00 0.00 O ATOM 1178 CB ALA A 71 4.384 -4.467 -1.631 1.00 0.00 C ATOM 0 H ALA A 71 5.201 -2.685 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 71 4.109 -5.480 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.718 -5.155 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.417 -4.785 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.255 -3.462 -1.229 1.00 0.00 H new ATOM 1184 N ASP A 72 1.926 -4.455 -4.307 1.00 0.00 N ATOM 1185 CA ASP A 72 0.581 -3.892 -4.586 1.00 0.00 C ATOM 1186 C ASP A 72 -0.402 -4.342 -3.515 1.00 0.00 C ATOM 1187 O ASP A 72 -0.198 -5.338 -2.853 1.00 0.00 O ATOM 1188 CB ASP A 72 0.183 -4.444 -5.953 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.178 -3.874 -6.358 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.169 -4.297 -5.785 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.206 -3.025 -7.233 1.00 0.00 O ATOM 0 H ASP A 72 2.199 -5.255 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 72 0.582 -2.802 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.935 -4.180 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.137 -5.532 -5.918 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.465 -3.618 -3.342 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.470 -4.002 -2.319 1.00 0.00 C ATOM 1198 C ILE A 73 -3.781 -3.273 -2.606 1.00 0.00 C ATOM 1199 O ILE A 73 -3.946 -2.110 -2.294 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.855 -3.591 -0.970 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -1.385 -4.848 -0.235 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.882 -2.861 -0.095 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.572 -5.790 -0.030 1.00 0.00 C ATOM 0 H ILE A 73 -1.683 -2.772 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.702 -5.067 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.019 -2.918 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.605 -5.348 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.950 -4.579 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.420 -2.582 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.226 -1.963 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.731 -3.518 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.239 -6.686 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.337 -5.287 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.987 -6.069 -0.999 1.00 0.00 H new ATOM 1215 N SER A 74 -4.713 -3.954 -3.194 1.00 0.00 N ATOM 1216 CA SER A 74 -6.017 -3.316 -3.497 1.00 0.00 C ATOM 1217 C SER A 74 -7.103 -3.981 -2.647 1.00 0.00 C ATOM 1218 O SER A 74 -7.143 -5.190 -2.522 1.00 0.00 O ATOM 1219 CB SER A 74 -6.257 -3.576 -4.983 1.00 0.00 C ATOM 1220 OG SER A 74 -7.640 -3.815 -5.201 1.00 0.00 O ATOM 0 H SER A 74 -4.630 -4.930 -3.480 1.00 0.00 H new ATOM 0 HA SER A 74 -6.030 -2.249 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.927 -2.720 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.672 -4.434 -5.313 1.00 0.00 H new ATOM 0 HG SER A 74 -7.797 -3.981 -6.154 1.00 0.00 H new ATOM 1226 N GLU A 75 -7.970 -3.215 -2.043 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.026 -3.838 -1.187 1.00 0.00 C ATOM 1228 C GLU A 75 -10.225 -2.905 -1.018 1.00 0.00 C ATOM 1229 O GLU A 75 -10.074 -1.724 -0.782 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.340 -4.049 0.163 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.766 -5.464 0.239 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.242 -5.728 1.652 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.056 -4.769 2.382 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.035 -6.885 1.979 1.00 0.00 O ATOM 0 H GLU A 75 -7.996 -2.197 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.410 -4.760 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.544 -3.317 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.054 -3.893 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.534 -6.194 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.961 -5.581 -0.486 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.419 -3.429 -1.119 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.622 -2.562 -0.937 1.00 0.00 C ATOM 1243 C ASP A 76 -12.609 -1.942 0.466 1.00 0.00 C ATOM 1244 O ASP A 76 -11.564 -1.620 0.996 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.813 -3.497 -1.099 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.848 -2.853 -2.023 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -14.443 -2.158 -2.941 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -16.028 -3.066 -1.798 1.00 0.00 O ATOM 0 H ASP A 76 -11.613 -4.410 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.655 -1.740 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.486 -4.451 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.259 -3.706 -0.127 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.477 -8.426 -2.155 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.086 -8.169 -1.684 1.00 0.00 C ATOM 1367 C LYS A 83 -7.101 -8.673 -2.744 1.00 0.00 C ATOM 1368 O LYS A 83 -7.380 -9.617 -3.453 1.00 0.00 O ATOM 1369 CB LYS A 83 -7.941 -8.972 -0.390 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.157 -8.729 0.506 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.260 -9.729 0.153 1.00 0.00 C ATOM 1372 CE LYS A 83 -10.692 -10.479 1.415 1.00 0.00 C ATOM 1373 NZ LYS A 83 -11.968 -11.153 1.044 1.00 0.00 N ATOM 0 HA LYS A 83 -7.885 -7.111 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.851 -10.034 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.029 -8.680 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.877 -8.836 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.520 -7.710 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.112 -9.208 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.900 -10.434 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.937 -11.203 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.835 -9.795 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.327 -11.689 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.669 -10.438 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.799 -11.803 0.250 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.960 -8.054 -2.866 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.975 -8.504 -3.893 1.00 0.00 C ATOM 1389 C LEU A 84 -3.644 -7.781 -3.676 1.00 0.00 C ATOM 1390 O LEU A 84 -3.592 -6.752 -3.038 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.593 -8.096 -5.235 1.00 0.00 C ATOM 1392 CG LEU A 84 -5.558 -9.275 -6.216 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -4.131 -9.811 -6.332 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -6.477 -10.390 -5.713 1.00 0.00 C ATOM 0 H LEU A 84 -5.666 -7.257 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.776 -9.575 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.622 -7.769 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.047 -7.250 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.898 -8.934 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.112 -10.648 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.474 -9.021 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.788 -10.147 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.450 -11.226 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.139 -10.725 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.497 -10.014 -5.636 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.568 -8.303 -4.201 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.257 -7.621 -4.013 1.00 0.00 C ATOM 1408 C LEU A 85 -0.286 -8.011 -5.134 1.00 0.00 C ATOM 1409 O LEU A 85 -0.591 -8.837 -5.970 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.759 -8.091 -2.637 1.00 0.00 C ATOM 1411 CG LEU A 85 0.113 -9.343 -2.775 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.434 -9.890 -1.386 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.640 -10.408 -3.573 1.00 0.00 C ATOM 0 H LEU A 85 -2.540 -9.164 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.339 -6.535 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.188 -7.295 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.610 -8.304 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 85 1.037 -9.085 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.054 -10.781 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.970 -9.134 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.493 -10.146 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.018 -11.298 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.564 -10.666 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.876 -10.021 -4.564 1.00 0.00 H new ATOM 1425 N ARG A 86 0.878 -7.417 -5.160 1.00 0.00 N ATOM 1426 CA ARG A 86 1.864 -7.752 -6.232 1.00 0.00 C ATOM 1427 C ARG A 86 3.286 -7.404 -5.787 1.00 0.00 C ATOM 1428 O ARG A 86 3.550 -6.321 -5.314 1.00 0.00 O ATOM 1429 CB ARG A 86 1.473 -6.883 -7.431 1.00 0.00 C ATOM 1430 CG ARG A 86 0.018 -7.149 -7.815 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.285 -6.480 -9.157 1.00 0.00 C ATOM 1432 NE ARG A 86 -1.138 -7.456 -9.889 1.00 0.00 N ATOM 1433 CZ ARG A 86 -0.883 -7.738 -11.137 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -0.366 -6.831 -11.919 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -1.146 -8.929 -11.603 1.00 0.00 N ATOM 0 H ARG A 86 1.189 -6.716 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 86 1.849 -8.816 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.607 -5.829 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.126 -7.099 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.161 -8.222 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.649 -6.762 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.802 -5.531 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.631 -6.266 -9.707 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.922 -7.904 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.161 -5.901 -11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.167 -7.052 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.551 -9.638 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.947 -9.150 -12.579 1.00 0.00 H new ATOM 1449 N PHE A 87 4.203 -8.315 -5.958 1.00 0.00 N ATOM 1450 CA PHE A 87 5.622 -8.053 -5.572 1.00 0.00 C ATOM 1451 C PHE A 87 6.460 -7.885 -6.844 1.00 0.00 C ATOM 1452 O PHE A 87 7.333 -8.681 -7.127 1.00 0.00 O ATOM 1453 CB PHE A 87 6.042 -9.306 -4.799 1.00 0.00 C ATOM 1454 CG PHE A 87 5.093 -9.517 -3.643 1.00 0.00 C ATOM 1455 CD1 PHE A 87 5.282 -8.820 -2.442 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.016 -10.404 -3.774 1.00 0.00 C ATOM 1457 CE1 PHE A 87 4.393 -9.009 -1.378 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.130 -10.594 -2.707 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.320 -9.894 -1.509 1.00 0.00 C ATOM 0 H PHE A 87 4.030 -9.240 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 87 5.754 -7.150 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.031 -10.175 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.063 -9.197 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.113 -8.138 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.869 -10.942 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.537 -8.470 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.301 -11.279 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.636 -10.038 -0.686 1.00 0.00 H new ATOM 1469 N ASN A 88 6.203 -6.857 -7.622 1.00 0.00 N ATOM 1470 CA ASN A 88 6.998 -6.669 -8.872 1.00 0.00 C ATOM 1471 C ASN A 88 7.065 -5.198 -9.265 1.00 0.00 C ATOM 1472 O ASN A 88 6.905 -4.314 -8.448 1.00 0.00 O ATOM 1473 CB ASN A 88 6.294 -7.453 -9.971 1.00 0.00 C ATOM 1474 CG ASN A 88 5.628 -8.708 -9.396 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.486 -8.669 -8.984 1.00 0.00 O ATOM 1476 ND2 ASN A 88 6.299 -9.826 -9.353 1.00 0.00 N ATOM 0 H ASN A 88 5.487 -6.152 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 88 8.019 -7.017 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.544 -6.824 -10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 88 7.012 -7.736 -10.741 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.865 -10.667 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.258 -9.859 -9.699 1.00 0.00 H new ATOM 1483 N GLY A 89 7.341 -4.927 -10.512 1.00 0.00 N ATOM 1484 CA GLY A 89 7.483 -3.512 -10.933 1.00 0.00 C ATOM 1485 C GLY A 89 8.736 -3.019 -10.228 1.00 0.00 C ATOM 1486 O GLY A 89 8.713 -2.050 -9.496 1.00 0.00 O ATOM 0 H GLY A 89 7.473 -5.620 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.580 -3.430 -12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.611 -2.925 -10.646 1.00 0.00 H new ATOM 1490 N PRO A 90 9.783 -3.776 -10.429 1.00 0.00 N ATOM 1491 CA PRO A 90 11.072 -3.503 -9.758 1.00 0.00 C ATOM 1492 C PRO A 90 11.700 -2.186 -10.208 1.00 0.00 C ATOM 1493 O PRO A 90 11.099 -1.394 -10.906 1.00 0.00 O ATOM 1494 CB PRO A 90 11.944 -4.696 -10.145 1.00 0.00 C ATOM 1495 CG PRO A 90 11.346 -5.204 -11.414 1.00 0.00 C ATOM 1496 CD PRO A 90 9.868 -4.947 -11.313 1.00 0.00 C ATOM 0 HA PRO A 90 10.953 -3.392 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.983 -4.398 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.936 -5.461 -9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.772 -4.693 -12.277 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.548 -6.267 -11.542 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.428 -4.745 -12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.339 -5.804 -10.896 1.00 0.00 H new ATOM 1504 N VAL A 91 12.913 -1.952 -9.790 1.00 0.00 N ATOM 1505 CA VAL A 91 13.615 -0.689 -10.157 1.00 0.00 C ATOM 1506 C VAL A 91 14.125 -0.769 -11.599 1.00 0.00 C ATOM 1507 O VAL A 91 15.328 -0.690 -11.786 1.00 0.00 O ATOM 1508 CB VAL A 91 14.792 -0.580 -9.176 1.00 0.00 C ATOM 1509 CG1 VAL A 91 15.227 0.880 -9.064 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.375 -1.083 -7.786 1.00 0.00 C ATOM 0 H VAL A 91 13.454 -2.588 -9.204 1.00 0.00 H new ATOM 0 HA VAL A 91 12.957 0.178 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 91 15.616 -1.190 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.062 0.958 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.536 1.244 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.394 1.481 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.219 -1.000 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.546 -0.481 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.064 -2.126 -7.854 1.00 0.00 H new