USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=17 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 Set 1.1: A 62 GLN : amide:sc= -0.273 K(o=0.26,f=-0.59) USER MOD Set 1.2: A 64 TYR OH : rot 125:sc= 0.536 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0669) USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0881 X(o=-0.088,f=-0.027) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.19) USER MOD Single : A 30 TYR OH : rot 80:sc= -0.0181 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.53 K(o=-2.5,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 82:sc= -0.0524 USER MOD Single : A 43 MET CE :methyl 142:sc= -0.135 (180deg=-0.383) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 1.02 (180deg=-0.206) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.315 USER MOD Single : A 48 TYR OH : rot -41:sc= 1.07 USER MOD Single : A 50 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.62) 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 -144:sc= 0.477 USER MOD Single : A 66 TYR OH : rot -142:sc= 1.28 USER MOD Single : A 68 SER OG : rot -170:sc= -1.24 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -40:sc= 0.907 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 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.01 K(o=0.01,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.087 -6.994 -19.026 1.00 0.00 N ATOM 2 CA MET A 1 -11.296 -8.229 -18.857 1.00 0.00 C ATOM 3 C MET A 1 -10.733 -8.322 -17.434 1.00 0.00 C ATOM 4 O MET A 1 -11.060 -9.240 -16.680 1.00 0.00 O ATOM 5 CB MET A 1 -10.174 -8.324 -19.903 1.00 0.00 C ATOM 6 CG MET A 1 -10.711 -8.350 -21.340 1.00 0.00 C ATOM 7 SD MET A 1 -9.481 -8.816 -22.588 1.00 0.00 S ATOM 8 CE MET A 1 -10.485 -8.704 -24.086 1.00 0.00 C ATOM 0 H1 MET A 1 -12.556 -7.007 -19.954 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.805 -6.936 -18.276 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.458 -6.168 -18.967 1.00 0.00 H new ATOM 0 HA MET A 1 -11.963 -9.077 -19.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.500 -7.476 -19.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.588 -9.225 -19.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.546 -9.049 -21.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.105 -7.364 -21.586 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.876 -8.961 -24.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.324 -9.396 -24.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.862 -7.687 -24.196 1.00 0.00 H new ATOM 20 N GLY A 2 -9.884 -7.361 -17.069 1.00 0.00 N ATOM 21 CA GLY A 2 -9.210 -7.303 -15.784 1.00 0.00 C ATOM 22 C GLY A 2 -7.841 -6.674 -16.003 1.00 0.00 C ATOM 23 O GLY A 2 -7.750 -5.461 -16.170 1.00 0.00 O ATOM 0 H GLY A 2 -9.643 -6.582 -17.681 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.791 -6.715 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.108 -8.302 -15.361 1.00 0.00 H new ATOM 27 N GLU A 3 -6.794 -7.505 -16.065 1.00 0.00 N ATOM 28 CA GLU A 3 -5.415 -7.069 -16.206 1.00 0.00 C ATOM 29 C GLU A 3 -4.976 -6.337 -14.929 1.00 0.00 C ATOM 30 O GLU A 3 -5.729 -6.234 -13.957 1.00 0.00 O ATOM 31 CB GLU A 3 -5.243 -6.253 -17.511 1.00 0.00 C ATOM 32 CG GLU A 3 -3.993 -6.596 -18.342 1.00 0.00 C ATOM 33 CD GLU A 3 -2.832 -5.631 -18.113 1.00 0.00 C ATOM 34 OE1 GLU A 3 -2.073 -5.891 -17.149 1.00 0.00 O ATOM 35 OE2 GLU A 3 -2.721 -4.671 -18.897 1.00 0.00 O ATOM 0 H GLU A 3 -6.892 -8.519 -16.017 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.745 -7.923 -16.310 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.125 -6.404 -18.133 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.210 -5.194 -17.256 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.669 -7.608 -18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.256 -6.592 -19.400 1.00 0.00 H new ATOM 42 N TRP A 4 -3.731 -5.876 -14.923 1.00 0.00 N ATOM 43 CA TRP A 4 -3.169 -5.056 -13.865 1.00 0.00 C ATOM 44 C TRP A 4 -3.382 -3.583 -14.209 1.00 0.00 C ATOM 45 O TRP A 4 -3.616 -3.241 -15.368 1.00 0.00 O ATOM 46 CB TRP A 4 -1.686 -5.382 -13.670 1.00 0.00 C ATOM 47 CG TRP A 4 -1.384 -6.779 -13.217 1.00 0.00 C ATOM 48 CD1 TRP A 4 -1.641 -7.922 -13.893 1.00 0.00 C ATOM 49 CD2 TRP A 4 -0.791 -7.193 -11.954 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.286 -9.007 -13.119 1.00 0.00 N ATOM 51 CE2 TRP A 4 -0.762 -8.615 -11.905 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.295 -6.500 -10.834 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.279 -9.317 -10.791 1.00 0.00 C ATOM 54 CZ3 TRP A 4 0.222 -7.189 -9.724 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.205 -8.594 -9.688 1.00 0.00 C ATOM 0 H TRP A 4 -3.070 -6.069 -15.675 1.00 0.00 H new ATOM 0 HA TRP A 4 -3.673 -5.269 -12.922 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.166 -5.204 -14.612 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.272 -4.685 -12.941 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.060 -7.977 -14.887 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.397 -9.979 -13.409 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.312 -5.420 -10.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.279 -10.397 -10.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.635 -6.636 -8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.563 -9.117 -8.814 1.00 0.00 H new ATOM 66 N GLU A 5 -3.313 -2.716 -13.198 1.00 0.00 N ATOM 67 CA GLU A 5 -3.539 -1.287 -13.317 1.00 0.00 C ATOM 68 C GLU A 5 -2.602 -0.537 -12.374 1.00 0.00 C ATOM 69 O GLU A 5 -1.972 -1.125 -11.495 1.00 0.00 O ATOM 70 CB GLU A 5 -4.993 -0.967 -12.958 1.00 0.00 C ATOM 71 CG GLU A 5 -5.967 -1.209 -14.119 1.00 0.00 C ATOM 72 CD GLU A 5 -7.415 -0.954 -13.706 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.630 0.011 -12.941 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.282 -1.735 -14.152 1.00 0.00 O ATOM 0 H GLU A 5 -3.091 -3.005 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.342 -0.975 -14.343 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.293 -1.577 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.063 0.075 -12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.707 -0.558 -14.954 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.865 -2.235 -14.472 1.00 0.00 H new ATOM 81 N ILE A 6 -2.551 0.783 -12.558 1.00 0.00 N ATOM 82 CA ILE A 6 -1.772 1.684 -11.729 1.00 0.00 C ATOM 83 C ILE A 6 -2.350 1.729 -10.315 1.00 0.00 C ATOM 84 O ILE A 6 -3.545 1.517 -10.117 1.00 0.00 O ATOM 85 CB ILE A 6 -1.669 3.080 -12.379 1.00 0.00 C ATOM 86 CG1 ILE A 6 -3.004 3.849 -12.453 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.082 2.948 -13.793 1.00 0.00 C ATOM 88 CD1 ILE A 6 -3.254 4.742 -11.231 1.00 0.00 C ATOM 0 H ILE A 6 -3.062 1.258 -13.303 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.752 1.308 -11.648 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.016 3.664 -11.730 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.012 4.464 -13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.822 3.135 -12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.010 3.935 -14.251 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.089 2.502 -13.735 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.730 2.314 -14.398 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.209 5.255 -11.345 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.277 4.128 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.454 5.478 -11.148 1.00 0.00 H new ATOM 100 N ILE A 7 -1.488 2.000 -9.336 1.00 0.00 N ATOM 101 CA ILE A 7 -1.849 2.116 -7.931 1.00 0.00 C ATOM 102 C ILE A 7 -2.097 3.590 -7.598 1.00 0.00 C ATOM 103 O ILE A 7 -1.457 4.466 -8.179 1.00 0.00 O ATOM 104 CB ILE A 7 -0.707 1.507 -7.101 1.00 0.00 C ATOM 105 CG1 ILE A 7 -1.104 1.196 -5.648 1.00 0.00 C ATOM 106 CG2 ILE A 7 0.533 2.409 -7.120 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.726 -0.239 -5.274 1.00 0.00 C ATOM 0 H ILE A 7 -0.493 2.148 -9.507 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.768 1.577 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.473 0.555 -7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.608 1.894 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.177 1.338 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.324 1.953 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.877 2.533 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.281 3.383 -6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.017 -0.435 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.242 -0.935 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.351 -0.371 -5.379 1.00 0.00 H new ATOM 119 N ASP A 8 -3.002 3.875 -6.658 1.00 0.00 N ATOM 120 CA ASP A 8 -3.190 5.234 -6.166 1.00 0.00 C ATOM 121 C ASP A 8 -2.086 5.564 -5.158 1.00 0.00 C ATOM 122 O ASP A 8 -1.591 4.687 -4.450 1.00 0.00 O ATOM 123 CB ASP A 8 -4.585 5.410 -5.544 1.00 0.00 C ATOM 124 CG ASP A 8 -5.694 5.599 -6.576 1.00 0.00 C ATOM 125 OD1 ASP A 8 -5.568 5.029 -7.680 1.00 0.00 O ATOM 126 OD2 ASP A 8 -6.660 6.314 -6.231 1.00 0.00 O ATOM 0 H ASP A 8 -3.613 3.182 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.124 5.929 -7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.814 4.537 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.570 6.272 -4.877 1.00 0.00 H new ATOM 131 N ILE A 9 -1.710 6.842 -5.099 1.00 0.00 N ATOM 132 CA ILE A 9 -0.662 7.380 -4.239 1.00 0.00 C ATOM 133 C ILE A 9 -1.330 8.240 -3.152 1.00 0.00 C ATOM 134 O ILE A 9 -2.556 8.296 -3.059 1.00 0.00 O ATOM 135 CB ILE A 9 0.353 8.126 -5.144 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.980 7.183 -6.194 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.494 8.842 -4.406 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.907 6.113 -5.604 1.00 0.00 C ATOM 0 H ILE A 9 -2.149 7.560 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.095 6.616 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.256 8.896 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.180 6.690 -6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.543 7.780 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.146 9.331 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.078 9.589 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.070 8.115 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.305 5.493 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.730 6.595 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.346 5.489 -4.909 1.00 0.00 H new ATOM 150 N GLY A 10 -0.538 8.882 -2.294 1.00 0.00 N ATOM 151 CA GLY A 10 -1.025 9.772 -1.255 1.00 0.00 C ATOM 152 C GLY A 10 -1.501 8.939 -0.069 1.00 0.00 C ATOM 153 O GLY A 10 -0.739 8.087 0.391 1.00 0.00 O ATOM 0 H GLY A 10 0.478 8.793 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.234 10.454 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.842 10.385 -1.637 1.00 0.00 H new ATOM 157 N PRO A 11 -2.737 9.126 0.423 1.00 0.00 N ATOM 158 CA PRO A 11 -3.227 8.368 1.560 1.00 0.00 C ATOM 159 C PRO A 11 -3.250 6.878 1.232 1.00 0.00 C ATOM 160 O PRO A 11 -3.022 6.065 2.116 1.00 0.00 O ATOM 161 CB PRO A 11 -4.624 8.912 1.863 1.00 0.00 C ATOM 162 CG PRO A 11 -5.092 9.459 0.515 1.00 0.00 C ATOM 163 CD PRO A 11 -3.797 9.959 -0.130 1.00 0.00 C ATOM 0 HA PRO A 11 -2.583 8.476 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.288 8.130 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.595 9.691 2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.570 8.687 -0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.817 10.263 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.840 9.870 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.627 11.012 0.097 1.00 0.00 H new ATOM 171 N PHE A 12 -3.501 6.516 -0.029 1.00 0.00 N ATOM 172 CA PHE A 12 -3.686 5.134 -0.441 1.00 0.00 C ATOM 173 C PHE A 12 -2.452 4.281 -0.140 1.00 0.00 C ATOM 174 O PHE A 12 -2.517 3.374 0.689 1.00 0.00 O ATOM 175 CB PHE A 12 -4.069 5.109 -1.923 1.00 0.00 C ATOM 176 CG PHE A 12 -4.834 3.876 -2.339 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.229 3.851 -2.165 1.00 0.00 C ATOM 178 CD2 PHE A 12 -4.190 2.825 -3.018 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.989 2.805 -2.712 1.00 0.00 C ATOM 180 CE2 PHE A 12 -4.952 1.778 -3.565 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.352 1.779 -3.426 1.00 0.00 C ATOM 0 H PHE A 12 -3.581 7.185 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.495 4.688 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.670 5.990 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.162 5.181 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.717 4.638 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.115 2.823 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.061 2.790 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.463 0.972 -4.092 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.938 0.988 -3.870 1.00 0.00 H new ATOM 191 N THR A 13 -1.316 4.582 -0.782 1.00 0.00 N ATOM 192 CA THR A 13 -0.076 3.839 -0.569 1.00 0.00 C ATOM 193 C THR A 13 0.243 3.807 0.928 1.00 0.00 C ATOM 194 O THR A 13 0.649 2.778 1.470 1.00 0.00 O ATOM 195 CB THR A 13 1.063 4.410 -1.439 1.00 0.00 C ATOM 196 OG1 THR A 13 2.176 3.538 -1.446 1.00 0.00 O ATOM 197 CG2 THR A 13 1.532 5.808 -1.025 1.00 0.00 C ATOM 0 H THR A 13 -1.234 5.342 -1.458 1.00 0.00 H new ATOM 0 HA THR A 13 -0.194 2.805 -0.892 1.00 0.00 H new ATOM 0 HB THR A 13 0.635 4.499 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.652 3.622 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.334 6.134 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.698 6.507 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.899 5.780 0.001 1.00 0.00 H new ATOM 205 N GLN A 14 0.013 4.937 1.601 1.00 0.00 N ATOM 206 CA GLN A 14 0.191 5.048 3.031 1.00 0.00 C ATOM 207 C GLN A 14 -0.735 4.113 3.806 1.00 0.00 C ATOM 208 O GLN A 14 -0.278 3.508 4.763 1.00 0.00 O ATOM 209 CB GLN A 14 0.029 6.510 3.460 1.00 0.00 C ATOM 210 CG GLN A 14 1.393 7.113 3.815 1.00 0.00 C ATOM 211 CD GLN A 14 1.330 8.633 3.900 1.00 0.00 C ATOM 212 OE1 GLN A 14 0.658 9.185 4.764 1.00 0.00 O ATOM 213 NE2 GLN A 14 2.029 9.327 3.007 1.00 0.00 N ATOM 0 H GLN A 14 -0.303 5.799 1.157 1.00 0.00 H new ATOM 0 HA GLN A 14 1.203 4.727 3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.432 7.083 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.639 6.572 4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.733 6.709 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.127 6.820 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.579 8.840 2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.015 10.347 3.029 1.00 0.00 H new ATOM 222 N ASN A 15 -2.006 3.976 3.427 1.00 0.00 N ATOM 223 CA ASN A 15 -2.962 3.098 4.087 1.00 0.00 C ATOM 224 C ASN A 15 -2.445 1.668 4.053 1.00 0.00 C ATOM 225 O ASN A 15 -2.358 1.015 5.091 1.00 0.00 O ATOM 226 CB ASN A 15 -4.347 3.158 3.419 1.00 0.00 C ATOM 227 CG ASN A 15 -5.196 4.362 3.812 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.701 5.084 2.959 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.421 4.561 5.109 1.00 0.00 N ATOM 0 H ASN A 15 -2.404 4.484 2.637 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.071 3.436 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.213 3.164 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.894 2.249 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.024 5.326 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.990 3.948 5.801 1.00 0.00 H new ATOM 236 N LEU A 16 -2.106 1.179 2.860 1.00 0.00 N ATOM 237 CA LEU A 16 -1.561 -0.169 2.722 1.00 0.00 C ATOM 238 C LEU A 16 -0.263 -0.314 3.535 1.00 0.00 C ATOM 239 O LEU A 16 -0.105 -1.283 4.282 1.00 0.00 O ATOM 240 CB LEU A 16 -1.358 -0.488 1.233 1.00 0.00 C ATOM 241 CG LEU A 16 -2.645 -0.420 0.370 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.500 0.577 -0.783 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.058 -1.763 -0.229 1.00 0.00 C ATOM 0 H LEU A 16 -2.198 1.692 1.983 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.266 -0.895 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.626 0.208 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.931 -1.487 1.145 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.419 -0.098 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.421 0.597 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.303 1.571 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.672 0.274 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.966 -1.635 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.259 -2.137 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.244 -2.477 0.573 1.00 0.00 H new ATOM 255 N ALA A 17 0.659 0.650 3.420 1.00 0.00 N ATOM 256 CA ALA A 17 1.920 0.621 4.153 1.00 0.00 C ATOM 257 C ALA A 17 1.694 0.562 5.669 1.00 0.00 C ATOM 258 O ALA A 17 2.302 -0.253 6.362 1.00 0.00 O ATOM 259 CB ALA A 17 2.746 1.846 3.765 1.00 0.00 C ATOM 0 H ALA A 17 0.548 1.466 2.818 1.00 0.00 H new ATOM 0 HA ALA A 17 2.464 -0.284 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.691 1.834 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.943 1.828 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.194 2.752 4.017 1.00 0.00 H new ATOM 265 N LYS A 18 0.814 1.429 6.180 1.00 0.00 N ATOM 266 CA LYS A 18 0.355 1.426 7.554 1.00 0.00 C ATOM 267 C LYS A 18 -0.140 0.036 7.897 1.00 0.00 C ATOM 268 O LYS A 18 0.413 -0.576 8.799 1.00 0.00 O ATOM 269 CB LYS A 18 -0.769 2.454 7.777 1.00 0.00 C ATOM 270 CG LYS A 18 -0.287 3.695 8.532 1.00 0.00 C ATOM 271 CD LYS A 18 -0.117 3.351 10.018 1.00 0.00 C ATOM 272 CE LYS A 18 0.100 4.603 10.871 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.004 4.286 12.306 1.00 0.00 N ATOM 0 H LYS A 18 0.394 2.173 5.622 1.00 0.00 H new ATOM 0 HA LYS A 18 1.186 1.704 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.178 2.755 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.580 1.986 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.659 4.043 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.004 4.507 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.001 2.819 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.731 2.677 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.081 5.027 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.638 5.360 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.147 5.150 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.949 3.903 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.717 3.581 12.559 1.00 0.00 H new ATOM 287 N PHE A 19 -1.162 -0.448 7.184 1.00 0.00 N ATOM 288 CA PHE A 19 -1.792 -1.734 7.442 1.00 0.00 C ATOM 289 C PHE A 19 -0.716 -2.801 7.657 1.00 0.00 C ATOM 290 O PHE A 19 -0.714 -3.463 8.695 1.00 0.00 O ATOM 291 CB PHE A 19 -2.771 -2.071 6.303 1.00 0.00 C ATOM 292 CG PHE A 19 -3.714 -3.242 6.530 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.425 -3.373 7.740 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.986 -4.137 5.477 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.316 -4.444 7.922 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.814 -5.254 5.687 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.453 -5.426 6.927 1.00 0.00 C ATOM 0 H PHE A 19 -1.577 0.056 6.400 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.382 -1.696 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.373 -1.185 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.189 -2.274 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.285 -2.649 8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.556 -3.964 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.897 -4.512 8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.958 -5.977 4.898 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.046 -6.309 7.114 1.00 0.00 H new ATOM 307 N ALA A 20 0.247 -2.885 6.727 1.00 0.00 N ATOM 308 CA ALA A 20 1.392 -3.786 6.862 1.00 0.00 C ATOM 309 C ALA A 20 2.060 -3.729 8.238 1.00 0.00 C ATOM 310 O ALA A 20 2.286 -4.775 8.844 1.00 0.00 O ATOM 311 CB ALA A 20 2.423 -3.595 5.747 1.00 0.00 C ATOM 0 H ALA A 20 0.251 -2.334 5.869 1.00 0.00 H new ATOM 0 HA ALA A 20 0.971 -4.786 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.251 -4.288 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.955 -3.789 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.797 -2.572 5.769 1.00 0.00 H new ATOM 317 N VAL A 21 2.410 -2.535 8.727 1.00 0.00 N ATOM 318 CA VAL A 21 3.098 -2.409 10.002 1.00 0.00 C ATOM 319 C VAL A 21 2.086 -2.477 11.147 1.00 0.00 C ATOM 320 O VAL A 21 2.158 -3.375 11.976 1.00 0.00 O ATOM 321 CB VAL A 21 3.916 -1.109 10.056 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.747 -1.078 11.348 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.880 -1.021 8.874 1.00 0.00 C ATOM 0 H VAL A 21 2.226 -1.649 8.256 1.00 0.00 H new ATOM 0 HA VAL A 21 3.797 -3.238 10.110 1.00 0.00 H new ATOM 0 HB VAL A 21 3.219 -0.272 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.327 -0.156 11.386 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.081 -1.123 12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.423 -1.933 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.447 -0.092 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.566 -1.867 8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.315 -1.041 7.942 1.00 0.00 H new ATOM 333 N ASP A 22 1.164 -1.510 11.194 1.00 0.00 N ATOM 334 CA ASP A 22 0.118 -1.315 12.195 1.00 0.00 C ATOM 335 C ASP A 22 -0.484 -2.634 12.659 1.00 0.00 C ATOM 336 O ASP A 22 -0.542 -2.927 13.849 1.00 0.00 O ATOM 337 CB ASP A 22 -0.987 -0.443 11.577 1.00 0.00 C ATOM 338 CG ASP A 22 -2.238 -0.380 12.448 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.130 0.195 13.555 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.274 -0.903 11.988 1.00 0.00 O ATOM 0 H ASP A 22 1.130 -0.788 10.475 1.00 0.00 H new ATOM 0 HA ASP A 22 0.561 -0.833 13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.605 0.566 11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.251 -0.838 10.596 1.00 0.00 H new ATOM 345 N GLU A 23 -0.970 -3.408 11.699 1.00 0.00 N ATOM 346 CA GLU A 23 -1.770 -4.589 11.945 1.00 0.00 C ATOM 347 C GLU A 23 -0.883 -5.689 12.512 1.00 0.00 C ATOM 348 O GLU A 23 -1.211 -6.327 13.513 1.00 0.00 O ATOM 349 CB GLU A 23 -2.403 -4.987 10.615 1.00 0.00 C ATOM 350 CG GLU A 23 -3.624 -5.879 10.796 1.00 0.00 C ATOM 351 CD GLU A 23 -3.316 -7.341 11.122 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.197 -7.779 10.780 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.224 -7.999 11.671 1.00 0.00 O ATOM 0 H GLU A 23 -0.813 -3.224 10.708 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.557 -4.406 12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.691 -4.088 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.664 -5.507 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.241 -5.467 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.219 -5.844 9.883 1.00 0.00 H new ATOM 360 N GLU A 24 0.271 -5.878 11.870 1.00 0.00 N ATOM 361 CA GLU A 24 1.293 -6.756 12.393 1.00 0.00 C ATOM 362 C GLU A 24 1.609 -6.354 13.837 1.00 0.00 C ATOM 363 O GLU A 24 1.678 -7.216 14.702 1.00 0.00 O ATOM 364 CB GLU A 24 2.516 -6.751 11.461 1.00 0.00 C ATOM 365 CG GLU A 24 3.736 -7.407 12.100 1.00 0.00 C ATOM 366 CD GLU A 24 3.445 -8.752 12.765 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.815 -9.607 12.109 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.897 -8.936 13.912 1.00 0.00 O ATOM 0 H GLU A 24 0.512 -5.429 10.986 1.00 0.00 H new ATOM 0 HA GLU A 24 0.945 -7.788 12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.268 -7.274 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.759 -5.724 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.500 -7.549 11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.152 -6.728 12.845 1.00 0.00 H new ATOM 375 N ASN A 25 1.769 -5.060 14.113 1.00 0.00 N ATOM 376 CA ASN A 25 2.060 -4.551 15.449 1.00 0.00 C ATOM 377 C ASN A 25 0.937 -4.909 16.424 1.00 0.00 C ATOM 378 O ASN A 25 1.187 -5.380 17.529 1.00 0.00 O ATOM 379 CB ASN A 25 2.276 -3.029 15.397 1.00 0.00 C ATOM 380 CG ASN A 25 3.430 -2.603 16.292 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.231 -2.077 17.381 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.658 -2.814 15.825 1.00 0.00 N ATOM 0 H ASN A 25 1.699 -4.329 13.405 1.00 0.00 H new ATOM 0 HA ASN A 25 2.975 -5.020 15.809 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.477 -2.723 14.370 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.364 -2.519 15.709 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.469 -2.535 16.378 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.789 -3.254 14.914 1.00 0.00 H new ATOM 389 N LYS A 26 -0.305 -4.676 15.993 1.00 0.00 N ATOM 390 CA LYS A 26 -1.525 -4.934 16.743 1.00 0.00 C ATOM 391 C LYS A 26 -1.608 -6.402 17.172 1.00 0.00 C ATOM 392 O LYS A 26 -2.061 -6.680 18.281 1.00 0.00 O ATOM 393 CB LYS A 26 -2.712 -4.448 15.890 1.00 0.00 C ATOM 394 CG LYS A 26 -4.121 -4.627 16.475 1.00 0.00 C ATOM 395 CD LYS A 26 -4.722 -6.001 16.143 1.00 0.00 C ATOM 396 CE LYS A 26 -6.250 -5.968 16.267 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.840 -7.291 16.000 1.00 0.00 N ATOM 0 H LYS A 26 -0.490 -4.285 15.069 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.541 -4.380 17.682 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.566 -3.388 15.681 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.675 -4.969 14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.081 -4.503 17.557 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.774 -3.845 16.088 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.440 -6.292 15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.314 -6.755 16.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.528 -5.639 17.268 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.658 -5.238 15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.874 -7.235 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.594 -7.593 15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.469 -7.981 16.684 1.00 0.00 H new ATOM 411 N ILE A 27 -1.184 -7.339 16.314 1.00 0.00 N ATOM 412 CA ILE A 27 -1.186 -8.765 16.645 1.00 0.00 C ATOM 413 C ILE A 27 0.150 -9.233 17.245 1.00 0.00 C ATOM 414 O ILE A 27 0.181 -9.718 18.373 1.00 0.00 O ATOM 415 CB ILE A 27 -1.593 -9.596 15.416 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.041 -9.315 14.966 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.392 -11.092 15.694 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.128 -9.816 15.928 1.00 0.00 C ATOM 0 H ILE A 27 -0.833 -7.130 15.379 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.930 -8.924 17.425 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.944 -9.295 14.594 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.162 -8.240 14.833 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.199 -9.777 13.991 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.684 -11.668 14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.343 -11.282 15.920 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.006 -11.390 16.544 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.111 -9.572 15.525 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.041 -10.896 16.044 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.004 -9.336 16.899 1.00 0.00 H new ATOM 430 N GLY A 28 1.234 -9.175 16.469 1.00 0.00 N ATOM 431 CA GLY A 28 2.543 -9.706 16.829 1.00 0.00 C ATOM 432 C GLY A 28 2.714 -11.142 16.317 1.00 0.00 C ATOM 433 O GLY A 28 2.855 -12.077 17.098 1.00 0.00 O ATOM 0 H GLY A 28 1.221 -8.743 15.545 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.324 -9.072 16.411 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.662 -9.686 17.912 1.00 0.00 H new ATOM 437 N GLN A 29 2.657 -11.320 14.996 1.00 0.00 N ATOM 438 CA GLN A 29 3.021 -12.563 14.304 1.00 0.00 C ATOM 439 C GLN A 29 4.474 -12.526 13.825 1.00 0.00 C ATOM 440 O GLN A 29 5.326 -13.209 14.386 1.00 0.00 O ATOM 441 CB GLN A 29 2.065 -12.901 13.141 1.00 0.00 C ATOM 442 CG GLN A 29 0.611 -13.168 13.541 1.00 0.00 C ATOM 443 CD GLN A 29 0.442 -14.301 14.552 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.096 -15.417 14.182 1.00 0.00 O ATOM 445 NE2 GLN A 29 0.670 -14.035 15.836 1.00 0.00 N ATOM 0 H GLN A 29 2.349 -10.586 14.359 1.00 0.00 H new ATOM 0 HA GLN A 29 2.920 -13.364 15.036 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.082 -12.077 12.428 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.448 -13.780 12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.187 -12.255 13.959 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.036 -13.405 12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.957 -13.098 16.120 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.558 -14.768 16.536 1.00 0.00 H new ATOM 454 N TYR A 30 4.740 -11.772 12.752 1.00 0.00 N ATOM 455 CA TYR A 30 6.032 -11.757 12.069 1.00 0.00 C ATOM 456 C TYR A 30 6.844 -10.529 12.488 1.00 0.00 C ATOM 457 O TYR A 30 7.899 -10.659 13.101 1.00 0.00 O ATOM 458 CB TYR A 30 5.853 -11.874 10.541 1.00 0.00 C ATOM 459 CG TYR A 30 4.643 -11.177 9.940 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.399 -11.834 9.913 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.751 -9.873 9.424 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.249 -11.150 9.483 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.604 -9.193 8.980 1.00 0.00 C ATOM 464 CZ TYR A 30 2.350 -9.816 9.053 1.00 0.00 C ATOM 465 OH TYR A 30 1.224 -9.101 8.788 1.00 0.00 O ATOM 0 H TYR A 30 4.052 -11.148 12.331 1.00 0.00 H new ATOM 0 HA TYR A 30 6.606 -12.632 12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.748 -11.476 10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.798 -12.932 10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.328 -12.866 10.223 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.717 -9.393 9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.291 -11.648 9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.688 -8.192 8.583 1.00 0.00 H new ATOM 0 HH TYR A 30 0.837 -8.776 9.628 1.00 0.00 H new ATOM 475 N GLY A 31 6.341 -9.340 12.156 1.00 0.00 N ATOM 476 CA GLY A 31 6.977 -8.064 12.447 1.00 0.00 C ATOM 477 C GLY A 31 7.542 -7.481 11.161 1.00 0.00 C ATOM 478 O GLY A 31 8.450 -8.074 10.587 1.00 0.00 O ATOM 0 H GLY A 31 5.454 -9.240 11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.254 -7.376 12.885 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.773 -8.200 13.179 1.00 0.00 H new ATOM 482 N ARG A 32 7.032 -6.330 10.698 1.00 0.00 N ATOM 483 CA ARG A 32 7.605 -5.573 9.592 1.00 0.00 C ATOM 484 C ARG A 32 8.953 -4.943 9.957 1.00 0.00 C ATOM 485 O ARG A 32 9.135 -3.729 9.888 1.00 0.00 O ATOM 486 CB ARG A 32 6.564 -4.578 9.054 1.00 0.00 C ATOM 487 CG ARG A 32 7.078 -3.838 7.806 1.00 0.00 C ATOM 488 CD ARG A 32 6.026 -3.691 6.690 1.00 0.00 C ATOM 489 NE ARG A 32 5.794 -2.308 6.233 1.00 0.00 N ATOM 490 CZ ARG A 32 6.683 -1.361 5.896 1.00 0.00 C ATOM 491 NH1 ARG A 32 7.994 -1.613 5.878 1.00 0.00 N ATOM 492 NH2 ARG A 32 6.231 -0.146 5.564 1.00 0.00 N ATOM 0 H ARG A 32 6.196 -5.898 11.093 1.00 0.00 H new ATOM 0 HA ARG A 32 7.845 -6.254 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.644 -5.110 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.317 -3.854 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.423 -2.847 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.942 -4.371 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.337 -4.293 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.082 -4.104 7.044 1.00 0.00 H new ATOM 0 HE ARG A 32 4.815 -2.031 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.338 -2.541 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.651 -0.877 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.229 0.045 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.888 0.589 5.304 1.00 0.00 H new ATOM 506 N LEU A 33 9.918 -5.815 10.257 1.00 0.00 N ATOM 507 CA LEU A 33 11.323 -5.510 10.428 1.00 0.00 C ATOM 508 C LEU A 33 11.501 -4.258 11.293 1.00 0.00 C ATOM 509 O LEU A 33 11.040 -4.232 12.433 1.00 0.00 O ATOM 510 CB LEU A 33 12.006 -5.498 9.053 1.00 0.00 C ATOM 511 CG LEU A 33 12.094 -6.868 8.353 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.869 -7.898 9.182 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.751 -7.479 7.946 1.00 0.00 C ATOM 0 H LEU A 33 9.719 -6.806 10.393 1.00 0.00 H new ATOM 0 HA LEU A 33 11.839 -6.285 10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.466 -4.810 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.015 -5.102 9.169 1.00 0.00 H new ATOM 0 HG LEU A 33 12.634 -6.638 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.903 -8.846 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.885 -7.540 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.372 -8.042 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.921 -8.441 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.133 -7.623 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.241 -6.809 7.253 1.00 0.00 H new ATOM 525 N THR A 34 12.223 -3.247 10.816 1.00 0.00 N ATOM 526 CA THR A 34 12.430 -2.016 11.567 1.00 0.00 C ATOM 527 C THR A 34 12.344 -0.821 10.621 1.00 0.00 C ATOM 528 O THR A 34 13.316 -0.534 9.931 1.00 0.00 O ATOM 529 CB THR A 34 13.760 -2.122 12.320 1.00 0.00 C ATOM 530 OG1 THR A 34 13.639 -3.139 13.299 1.00 0.00 O ATOM 531 CG2 THR A 34 14.173 -0.821 13.014 1.00 0.00 C ATOM 0 H THR A 34 12.678 -3.259 9.903 1.00 0.00 H new ATOM 0 HA THR A 34 11.652 -1.863 12.315 1.00 0.00 H new ATOM 0 HB THR A 34 14.531 -2.349 11.584 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.483 -3.222 13.790 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.123 -0.968 13.527 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.281 -0.031 12.271 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.410 -0.537 13.738 1.00 0.00 H new ATOM 539 N PHE A 35 11.175 -0.158 10.608 1.00 0.00 N ATOM 540 CA PHE A 35 10.851 1.084 9.897 1.00 0.00 C ATOM 541 C PHE A 35 11.839 1.431 8.779 1.00 0.00 C ATOM 542 O PHE A 35 12.656 2.339 8.907 1.00 0.00 O ATOM 543 CB PHE A 35 10.654 2.235 10.902 1.00 0.00 C ATOM 544 CG PHE A 35 9.198 2.523 11.214 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.461 3.354 10.350 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.576 1.965 12.347 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.116 3.651 10.630 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.230 2.261 12.626 1.00 0.00 C ATOM 549 CZ PHE A 35 6.501 3.107 11.771 1.00 0.00 C ATOM 0 H PHE A 35 10.374 -0.505 11.135 1.00 0.00 H new ATOM 0 HA PHE A 35 9.907 0.921 9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.174 1.991 11.828 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.118 3.138 10.504 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.931 3.765 9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.132 1.310 13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.556 4.296 9.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.755 1.838 13.499 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.469 3.339 11.991 1.00 0.00 H new ATOM 559 N ASN A 36 11.751 0.670 7.686 1.00 0.00 N ATOM 560 CA ASN A 36 12.715 0.699 6.600 1.00 0.00 C ATOM 561 C ASN A 36 12.204 1.701 5.555 1.00 0.00 C ATOM 562 O ASN A 36 12.412 2.901 5.713 1.00 0.00 O ATOM 563 CB ASN A 36 12.973 -0.728 6.065 1.00 0.00 C ATOM 564 CG ASN A 36 12.859 -1.838 7.110 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.834 -2.455 7.527 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.619 -2.194 7.454 1.00 0.00 N ATOM 0 H ASN A 36 10.991 0.006 7.535 1.00 0.00 H new ATOM 0 HA ASN A 36 13.696 1.042 6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.266 -0.932 5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.971 -0.762 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.470 -2.991 8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.820 -1.669 7.098 1.00 0.00 H new ATOM 573 N LYS A 37 11.484 1.238 4.525 1.00 0.00 N ATOM 574 CA LYS A 37 10.814 2.054 3.522 1.00 0.00 C ATOM 575 C LYS A 37 10.046 1.123 2.575 1.00 0.00 C ATOM 576 O LYS A 37 10.018 -0.091 2.785 1.00 0.00 O ATOM 577 CB LYS A 37 11.820 2.964 2.780 1.00 0.00 C ATOM 578 CG LYS A 37 11.436 4.439 2.960 1.00 0.00 C ATOM 579 CD LYS A 37 12.518 5.374 2.402 1.00 0.00 C ATOM 580 CE LYS A 37 11.883 6.557 1.663 1.00 0.00 C ATOM 581 NZ LYS A 37 12.893 7.560 1.280 1.00 0.00 N ATOM 0 H LYS A 37 11.351 0.239 4.367 1.00 0.00 H new ATOM 0 HA LYS A 37 10.103 2.729 3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.826 2.794 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.836 2.712 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.490 4.634 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.282 4.650 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.144 5.741 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.168 4.822 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.370 6.197 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.130 7.022 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.430 8.347 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.365 7.921 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.598 7.121 0.654 1.00 0.00 H new ATOM 595 N VAL A 38 9.413 1.696 1.550 1.00 0.00 N ATOM 596 CA VAL A 38 8.665 1.023 0.503 1.00 0.00 C ATOM 597 C VAL A 38 9.043 1.675 -0.827 1.00 0.00 C ATOM 598 O VAL A 38 9.203 2.899 -0.863 1.00 0.00 O ATOM 599 CB VAL A 38 7.169 1.136 0.837 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.691 2.576 1.080 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.280 0.490 -0.233 1.00 0.00 C ATOM 0 H VAL A 38 9.413 2.709 1.427 1.00 0.00 H new ATOM 0 HA VAL A 38 8.898 -0.039 0.428 1.00 0.00 H new ATOM 0 HB VAL A 38 7.067 0.588 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.625 2.572 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.241 3.006 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.867 3.174 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.233 0.597 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.448 0.981 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.526 -0.568 -0.320 1.00 0.00 H new ATOM 611 N ILE A 39 9.233 0.883 -1.889 1.00 0.00 N ATOM 612 CA ILE A 39 9.590 1.425 -3.195 1.00 0.00 C ATOM 613 C ILE A 39 8.304 1.870 -3.894 1.00 0.00 C ATOM 614 O ILE A 39 7.223 1.440 -3.499 1.00 0.00 O ATOM 615 CB ILE A 39 10.401 0.399 -4.013 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.535 -0.741 -4.575 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.542 -0.190 -3.170 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.214 -0.548 -6.058 1.00 0.00 C ATOM 0 H ILE A 39 9.144 -0.133 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 39 10.241 2.293 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 39 10.812 0.945 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.054 -1.690 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.605 -0.801 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.101 -0.911 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.209 0.611 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.127 -0.688 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.601 -1.378 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.671 0.387 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.141 -0.515 -6.630 1.00 0.00 H new ATOM 630 N ARG A 40 8.412 2.715 -4.921 1.00 0.00 N ATOM 631 CA ARG A 40 7.293 3.214 -5.705 1.00 0.00 C ATOM 632 C ARG A 40 7.817 3.544 -7.105 1.00 0.00 C ATOM 633 O ARG A 40 9.026 3.726 -7.257 1.00 0.00 O ATOM 634 CB ARG A 40 6.710 4.471 -5.034 1.00 0.00 C ATOM 635 CG ARG A 40 5.501 4.156 -4.137 1.00 0.00 C ATOM 636 CD ARG A 40 5.342 5.194 -3.023 1.00 0.00 C ATOM 637 NE ARG A 40 6.476 5.102 -2.087 1.00 0.00 N ATOM 638 CZ ARG A 40 7.528 5.931 -2.011 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.529 7.115 -2.636 1.00 0.00 N ATOM 640 NH2 ARG A 40 8.606 5.548 -1.320 1.00 0.00 N ATOM 0 H ARG A 40 9.311 3.079 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 40 6.500 2.469 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.485 4.952 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.411 5.183 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.595 4.129 -4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.621 3.165 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.293 6.195 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.405 5.029 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 40 6.459 4.325 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.718 7.403 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.340 7.729 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.620 4.637 -0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.414 6.166 -1.252 1.00 0.00 H new ATOM 654 N PRO A 41 6.937 3.666 -8.112 1.00 0.00 N ATOM 655 CA PRO A 41 5.513 3.375 -8.031 1.00 0.00 C ATOM 656 C PRO A 41 5.276 1.863 -7.941 1.00 0.00 C ATOM 657 O PRO A 41 6.178 1.067 -8.192 1.00 0.00 O ATOM 658 CB PRO A 41 4.907 3.986 -9.296 1.00 0.00 C ATOM 659 CG PRO A 41 6.047 3.887 -10.309 1.00 0.00 C ATOM 660 CD PRO A 41 7.301 4.086 -9.453 1.00 0.00 C ATOM 0 HA PRO A 41 5.050 3.794 -7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.025 3.437 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.598 5.019 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.054 2.921 -10.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.964 4.650 -11.083 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.133 3.495 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.620 5.128 -9.463 1.00 0.00 H new ATOM 668 N CYS A 42 4.065 1.488 -7.531 1.00 0.00 N ATOM 669 CA CYS A 42 3.636 0.109 -7.313 1.00 0.00 C ATOM 670 C CYS A 42 2.463 -0.172 -8.252 1.00 0.00 C ATOM 671 O CYS A 42 2.151 0.670 -9.096 1.00 0.00 O ATOM 672 CB CYS A 42 3.302 -0.077 -5.827 1.00 0.00 C ATOM 673 SG CYS A 42 4.847 -0.175 -4.890 1.00 0.00 S ATOM 0 H CYS A 42 3.327 2.164 -7.334 1.00 0.00 H new ATOM 0 HA CYS A 42 4.418 -0.614 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.696 0.755 -5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.715 -0.984 -5.683 1.00 0.00 H new ATOM 0 HG CYS A 42 5.291 1.025 -4.658 1.00 0.00 H new ATOM 679 N MET A 43 1.822 -1.343 -8.156 1.00 0.00 N ATOM 680 CA MET A 43 0.857 -1.763 -9.167 1.00 0.00 C ATOM 681 C MET A 43 -0.250 -2.602 -8.527 1.00 0.00 C ATOM 682 O MET A 43 -0.019 -3.281 -7.527 1.00 0.00 O ATOM 683 CB MET A 43 1.622 -2.521 -10.265 1.00 0.00 C ATOM 684 CG MET A 43 0.858 -2.593 -11.590 1.00 0.00 C ATOM 685 SD MET A 43 1.833 -3.116 -13.028 1.00 0.00 S ATOM 686 CE MET A 43 2.585 -4.647 -12.434 1.00 0.00 C ATOM 0 H MET A 43 1.955 -2.008 -7.394 1.00 0.00 H new ATOM 0 HA MET A 43 0.361 -0.904 -9.620 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.583 -2.034 -10.433 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.834 -3.533 -9.919 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.022 -3.282 -11.470 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.434 -1.611 -11.798 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.614 -5.376 -13.244 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.600 -4.445 -12.091 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.996 -5.045 -11.608 1.00 0.00 H new ATOM 696 N LYS A 44 -1.462 -2.544 -9.083 1.00 0.00 N ATOM 697 CA LYS A 44 -2.607 -3.284 -8.578 1.00 0.00 C ATOM 698 C LYS A 44 -3.150 -4.232 -9.634 1.00 0.00 C ATOM 699 O LYS A 44 -2.757 -4.161 -10.799 1.00 0.00 O ATOM 700 CB LYS A 44 -3.688 -2.313 -8.083 1.00 0.00 C ATOM 701 CG LYS A 44 -4.548 -1.685 -9.189 1.00 0.00 C ATOM 702 CD LYS A 44 -5.785 -1.050 -8.549 1.00 0.00 C ATOM 703 CE LYS A 44 -6.744 -0.507 -9.613 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.001 -0.037 -9.005 1.00 0.00 N ATOM 0 H LYS A 44 -1.672 -1.975 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.285 -3.892 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.342 -2.843 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.207 -1.514 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.975 -0.933 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.845 -2.444 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.300 -1.789 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.479 -0.242 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.268 0.313 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.959 -1.286 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.632 0.325 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.465 -0.827 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.795 0.723 -8.325 1.00 0.00 H new ATOM 718 N LYS A 45 -4.110 -5.066 -9.232 1.00 0.00 N ATOM 719 CA LYS A 45 -4.880 -5.884 -10.148 1.00 0.00 C ATOM 720 C LYS A 45 -6.246 -6.142 -9.550 1.00 0.00 C ATOM 721 O LYS A 45 -6.565 -5.669 -8.461 1.00 0.00 O ATOM 722 CB LYS A 45 -4.169 -7.216 -10.440 1.00 0.00 C ATOM 723 CG LYS A 45 -4.161 -8.223 -9.271 1.00 0.00 C ATOM 724 CD LYS A 45 -3.133 -7.796 -8.213 1.00 0.00 C ATOM 725 CE LYS A 45 -2.666 -8.978 -7.360 1.00 0.00 C ATOM 726 NZ LYS A 45 -1.870 -8.513 -6.209 1.00 0.00 N ATOM 0 H LYS A 45 -4.371 -5.188 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.983 -5.351 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.648 -7.685 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.138 -7.005 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.153 -8.280 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.921 -9.220 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.273 -7.342 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.571 -7.034 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.530 -9.541 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.070 -9.658 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.105 -9.083 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.857 -8.614 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.086 -7.514 -6.019 1.00 0.00 H new ATOM 740 N THR A 46 -7.019 -6.961 -10.252 1.00 0.00 N ATOM 741 CA THR A 46 -8.218 -7.569 -9.739 1.00 0.00 C ATOM 742 C THR A 46 -8.003 -9.079 -9.819 1.00 0.00 C ATOM 743 O THR A 46 -7.112 -9.541 -10.534 1.00 0.00 O ATOM 744 CB THR A 46 -9.410 -7.045 -10.537 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.565 -7.204 -9.755 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.584 -7.719 -11.899 1.00 0.00 C ATOM 0 H THR A 46 -6.815 -7.221 -11.217 1.00 0.00 H new ATOM 0 HA THR A 46 -8.434 -7.320 -8.700 1.00 0.00 H new ATOM 0 HB THR A 46 -9.227 -5.994 -10.759 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.141 -6.418 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.450 -7.295 -12.407 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.692 -7.554 -12.503 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.734 -8.789 -11.759 1.00 0.00 H new ATOM 754 N ILE A 47 -8.781 -9.832 -9.050 1.00 0.00 N ATOM 755 CA ILE A 47 -8.617 -11.265 -8.862 1.00 0.00 C ATOM 756 C ILE A 47 -9.965 -11.962 -8.934 1.00 0.00 C ATOM 757 O ILE A 47 -10.985 -11.382 -8.578 1.00 0.00 O ATOM 758 CB ILE A 47 -7.877 -11.558 -7.561 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.605 -13.071 -7.470 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.592 -11.044 -6.313 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.535 -13.369 -6.425 1.00 0.00 C ATOM 0 H ILE A 47 -9.567 -9.448 -8.525 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.003 -11.664 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.936 -11.008 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.526 -13.595 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.284 -13.446 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.004 -11.291 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.709 -9.962 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.574 -11.512 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.360 -14.444 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.609 -12.862 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.870 -13.014 -5.450 1.00 0.00 H new ATOM 773 N TYR A 48 -9.961 -13.198 -9.427 1.00 0.00 N ATOM 774 CA TYR A 48 -11.155 -13.962 -9.728 1.00 0.00 C ATOM 775 C TYR A 48 -11.360 -15.053 -8.684 1.00 0.00 C ATOM 776 O TYR A 48 -10.393 -15.588 -8.145 1.00 0.00 O ATOM 777 CB TYR A 48 -10.972 -14.616 -11.096 1.00 0.00 C ATOM 778 CG TYR A 48 -10.696 -13.708 -12.289 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.990 -12.332 -12.250 1.00 0.00 C ATOM 780 CD2 TYR A 48 -10.043 -14.238 -13.419 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.644 -11.493 -13.327 1.00 0.00 C ATOM 782 CE2 TYR A 48 -9.678 -13.400 -14.486 1.00 0.00 C ATOM 783 CZ TYR A 48 -9.993 -12.031 -14.450 1.00 0.00 C ATOM 784 OH TYR A 48 -9.638 -11.240 -15.502 1.00 0.00 O ATOM 0 H TYR A 48 -9.100 -13.704 -9.632 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.022 -13.301 -9.725 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.149 -15.327 -11.019 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.871 -15.191 -11.315 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.486 -11.915 -11.386 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.822 -15.294 -13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.878 -10.439 -13.290 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.154 -13.809 -15.337 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.356 -10.600 -15.687 1.00 0.00 H new ATOM 794 N GLU A 49 -12.614 -15.442 -8.448 1.00 0.00 N ATOM 795 CA GLU A 49 -12.975 -16.419 -7.428 1.00 0.00 C ATOM 796 C GLU A 49 -12.913 -17.846 -7.993 1.00 0.00 C ATOM 797 O GLU A 49 -13.737 -18.689 -7.653 1.00 0.00 O ATOM 798 CB GLU A 49 -14.366 -16.034 -6.892 1.00 0.00 C ATOM 799 CG GLU A 49 -14.521 -16.228 -5.376 1.00 0.00 C ATOM 800 CD GLU A 49 -14.607 -17.692 -4.949 1.00 0.00 C ATOM 801 OE1 GLU A 49 -13.530 -18.282 -4.713 1.00 0.00 O ATOM 802 OE2 GLU A 49 -15.751 -18.182 -4.835 1.00 0.00 O ATOM 0 H GLU A 49 -13.414 -15.081 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.266 -16.409 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.564 -14.991 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.121 -16.631 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.676 -15.761 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.419 -15.708 -5.042 1.00 0.00 H new ATOM 809 N ASN A 50 -11.916 -18.105 -8.845 1.00 0.00 N ATOM 810 CA ASN A 50 -11.768 -19.324 -9.643 1.00 0.00 C ATOM 811 C ASN A 50 -12.938 -19.529 -10.626 1.00 0.00 C ATOM 812 O ASN A 50 -13.998 -18.930 -10.480 1.00 0.00 O ATOM 813 CB ASN A 50 -11.560 -20.544 -8.728 1.00 0.00 C ATOM 814 CG ASN A 50 -11.236 -21.807 -9.517 1.00 0.00 C ATOM 815 OD1 ASN A 50 -12.057 -22.709 -9.628 1.00 0.00 O ATOM 816 ND2 ASN A 50 -10.045 -21.875 -10.104 1.00 0.00 N ATOM 0 H ASN A 50 -11.158 -17.441 -9.003 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.877 -19.209 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.750 -20.337 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.460 -20.709 -8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.797 -22.692 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.379 -21.110 -9.996 1.00 0.00 H new ATOM 823 N GLU A 51 -12.745 -20.383 -11.640 1.00 0.00 N ATOM 824 CA GLU A 51 -13.763 -20.718 -12.632 1.00 0.00 C ATOM 825 C GLU A 51 -14.079 -19.510 -13.531 1.00 0.00 C ATOM 826 O GLU A 51 -13.499 -18.436 -13.384 1.00 0.00 O ATOM 827 CB GLU A 51 -15.015 -21.290 -11.928 1.00 0.00 C ATOM 828 CG GLU A 51 -15.713 -22.447 -12.663 1.00 0.00 C ATOM 829 CD GLU A 51 -15.022 -23.793 -12.438 1.00 0.00 C ATOM 830 OE1 GLU A 51 -13.818 -23.882 -12.764 1.00 0.00 O ATOM 831 OE2 GLU A 51 -15.717 -24.714 -11.959 1.00 0.00 O ATOM 0 H GLU A 51 -11.860 -20.866 -11.792 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.380 -21.494 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.727 -21.634 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.734 -20.483 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.748 -22.514 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.738 -22.231 -13.731 1.00 0.00 H new ATOM 838 N GLY A 52 -14.989 -19.700 -14.492 1.00 0.00 N ATOM 839 CA GLY A 52 -15.476 -18.651 -15.375 1.00 0.00 C ATOM 840 C GLY A 52 -16.635 -17.869 -14.754 1.00 0.00 C ATOM 841 O GLY A 52 -16.930 -16.755 -15.181 1.00 0.00 O ATOM 0 H GLY A 52 -15.413 -20.609 -14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.661 -17.966 -15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.801 -19.092 -16.317 1.00 0.00 H new ATOM 845 N PHE A 53 -17.322 -18.473 -13.779 1.00 0.00 N ATOM 846 CA PHE A 53 -18.420 -17.850 -13.054 1.00 0.00 C ATOM 847 C PHE A 53 -17.840 -16.997 -11.920 1.00 0.00 C ATOM 848 O PHE A 53 -16.651 -16.690 -11.928 1.00 0.00 O ATOM 849 CB PHE A 53 -19.361 -18.962 -12.543 1.00 0.00 C ATOM 850 CG PHE A 53 -20.833 -18.676 -12.751 1.00 0.00 C ATOM 851 CD1 PHE A 53 -21.340 -18.639 -14.063 1.00 0.00 C ATOM 852 CD2 PHE A 53 -21.712 -18.538 -11.659 1.00 0.00 C ATOM 853 CE1 PHE A 53 -22.713 -18.445 -14.288 1.00 0.00 C ATOM 854 CE2 PHE A 53 -23.086 -18.338 -11.886 1.00 0.00 C ATOM 855 CZ PHE A 53 -23.586 -18.291 -13.199 1.00 0.00 C ATOM 0 H PHE A 53 -17.123 -19.425 -13.471 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.004 -17.189 -13.694 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.109 -19.895 -13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -19.179 -19.115 -11.479 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.670 -18.760 -14.901 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.332 -18.586 -10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -23.097 -18.414 -15.297 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.758 -18.220 -11.049 1.00 0.00 H new ATOM 0 HZ PHE A 53 -24.641 -18.137 -13.370 1.00 0.00 H new ATOM 865 N ARG A 54 -18.669 -16.680 -10.919 1.00 0.00 N ATOM 866 CA ARG A 54 -18.265 -16.096 -9.639 1.00 0.00 C ATOM 867 C ARG A 54 -17.183 -15.015 -9.782 1.00 0.00 C ATOM 868 O ARG A 54 -16.022 -15.192 -9.411 1.00 0.00 O ATOM 869 CB ARG A 54 -17.917 -17.209 -8.635 1.00 0.00 C ATOM 870 CG ARG A 54 -16.874 -18.209 -9.156 1.00 0.00 C ATOM 871 CD ARG A 54 -16.582 -19.300 -8.126 1.00 0.00 C ATOM 872 NE ARG A 54 -17.756 -20.138 -7.847 1.00 0.00 N ATOM 873 CZ ARG A 54 -17.788 -21.073 -6.886 1.00 0.00 C ATOM 874 NH1 ARG A 54 -16.718 -21.272 -6.107 1.00 0.00 N ATOM 875 NH2 ARG A 54 -18.893 -21.804 -6.710 1.00 0.00 N ATOM 0 H ARG A 54 -19.676 -16.829 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 54 -19.116 -15.552 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -17.544 -16.754 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -18.827 -17.750 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -17.234 -18.665 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.952 -17.681 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.768 -19.929 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.240 -18.839 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.592 -20.001 -8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.876 -20.712 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.744 -21.984 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.707 -21.650 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.922 -22.516 -5.981 1.00 0.00 H new ATOM 889 N GLU A 55 -17.598 -13.874 -10.337 1.00 0.00 N ATOM 890 CA GLU A 55 -16.712 -12.764 -10.644 1.00 0.00 C ATOM 891 C GLU A 55 -16.079 -12.175 -9.375 1.00 0.00 C ATOM 892 O GLU A 55 -16.459 -12.509 -8.255 1.00 0.00 O ATOM 893 CB GLU A 55 -17.498 -11.734 -11.472 1.00 0.00 C ATOM 894 CG GLU A 55 -16.620 -10.730 -12.236 1.00 0.00 C ATOM 895 CD GLU A 55 -17.414 -10.037 -13.337 1.00 0.00 C ATOM 896 OE1 GLU A 55 -18.289 -9.220 -12.976 1.00 0.00 O ATOM 897 OE2 GLU A 55 -17.141 -10.346 -14.517 1.00 0.00 O ATOM 0 H GLU A 55 -18.571 -13.699 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.867 -13.109 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.128 -12.264 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.164 -11.184 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.226 -9.986 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.764 -11.247 -12.670 1.00 0.00 H new ATOM 904 N ILE A 56 -15.090 -11.306 -9.600 1.00 0.00 N ATOM 905 CA ILE A 56 -14.225 -10.641 -8.633 1.00 0.00 C ATOM 906 C ILE A 56 -14.866 -10.490 -7.249 1.00 0.00 C ATOM 907 O ILE A 56 -15.758 -9.668 -7.054 1.00 0.00 O ATOM 908 CB ILE A 56 -13.781 -9.279 -9.203 1.00 0.00 C ATOM 909 CG1 ILE A 56 -12.962 -9.433 -10.503 1.00 0.00 C ATOM 910 CG2 ILE A 56 -12.931 -8.503 -8.187 1.00 0.00 C ATOM 911 CD1 ILE A 56 -13.187 -8.250 -11.447 1.00 0.00 C ATOM 0 H ILE A 56 -14.856 -11.027 -10.553 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.352 -11.275 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 56 -14.697 -8.730 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.902 -9.511 -10.260 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.243 -10.359 -11.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.633 -7.547 -8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.514 -8.328 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.042 -9.082 -7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.596 -8.389 -12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.243 -8.189 -11.709 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.882 -7.327 -10.953 1.00 0.00 H new ATOM 923 N LYS A 57 -14.369 -11.266 -6.281 1.00 0.00 N ATOM 924 CA LYS A 57 -14.834 -11.241 -4.903 1.00 0.00 C ATOM 925 C LYS A 57 -14.086 -10.162 -4.106 1.00 0.00 C ATOM 926 O LYS A 57 -14.629 -9.572 -3.169 1.00 0.00 O ATOM 927 CB LYS A 57 -14.682 -12.658 -4.322 1.00 0.00 C ATOM 928 CG LYS A 57 -15.663 -12.966 -3.182 1.00 0.00 C ATOM 929 CD LYS A 57 -15.147 -12.526 -1.804 1.00 0.00 C ATOM 930 CE LYS A 57 -14.858 -13.754 -0.932 1.00 0.00 C ATOM 931 NZ LYS A 57 -14.299 -13.370 0.376 1.00 0.00 N ATOM 0 H LYS A 57 -13.619 -11.939 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.887 -10.967 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.826 -13.386 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.663 -12.784 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.612 -12.468 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.863 -14.037 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.241 -11.931 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.886 -11.890 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.777 -14.320 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.159 -14.411 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.116 -14.225 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.409 -12.851 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.977 -12.763 0.879 1.00 0.00 H new ATOM 945 N GLY A 58 -12.835 -9.883 -4.486 1.00 0.00 N ATOM 946 CA GLY A 58 -12.015 -8.863 -3.860 1.00 0.00 C ATOM 947 C GLY A 58 -11.050 -8.266 -4.876 1.00 0.00 C ATOM 948 O GLY A 58 -10.764 -8.892 -5.891 1.00 0.00 O ATOM 0 H GLY A 58 -12.365 -10.371 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.650 -8.079 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.458 -9.294 -3.028 1.00 0.00 H new ATOM 952 N TYR A 59 -10.565 -7.058 -4.599 1.00 0.00 N ATOM 953 CA TYR A 59 -9.479 -6.395 -5.296 1.00 0.00 C ATOM 954 C TYR A 59 -8.158 -6.808 -4.646 1.00 0.00 C ATOM 955 O TYR A 59 -8.172 -7.415 -3.570 1.00 0.00 O ATOM 956 CB TYR A 59 -9.681 -4.873 -5.123 1.00 0.00 C ATOM 957 CG TYR A 59 -10.240 -4.190 -6.344 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.472 -4.232 -7.510 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.461 -3.494 -6.327 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.950 -3.661 -8.700 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.941 -2.911 -7.514 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.202 -3.023 -8.706 1.00 0.00 C ATOM 963 OH TYR A 59 -11.728 -2.555 -9.871 1.00 0.00 O ATOM 0 H TYR A 59 -10.943 -6.490 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.463 -6.663 -6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.352 -4.698 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.725 -4.416 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.502 -4.708 -7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.026 -3.407 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.360 -3.712 -9.603 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.879 -2.376 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.600 -2.143 -9.694 1.00 0.00 H new ATOM 973 N GLU A 60 -7.023 -6.439 -5.258 1.00 0.00 N ATOM 974 CA GLU A 60 -5.713 -6.630 -4.653 1.00 0.00 C ATOM 975 C GLU A 60 -4.713 -5.593 -5.181 1.00 0.00 C ATOM 976 O GLU A 60 -4.843 -5.100 -6.301 1.00 0.00 O ATOM 977 CB GLU A 60 -5.229 -8.061 -4.913 1.00 0.00 C ATOM 978 CG GLU A 60 -4.427 -8.708 -3.777 1.00 0.00 C ATOM 979 CD GLU A 60 -4.099 -10.164 -4.100 1.00 0.00 C ATOM 980 OE1 GLU A 60 -5.037 -10.985 -4.063 1.00 0.00 O ATOM 981 OE2 GLU A 60 -2.915 -10.425 -4.414 1.00 0.00 O ATOM 0 H GLU A 60 -6.996 -6.003 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.791 -6.483 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.097 -8.686 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.613 -8.059 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.504 -8.151 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.997 -8.657 -2.849 1.00 0.00 H new ATOM 988 N TYR A 61 -3.706 -5.285 -4.365 1.00 0.00 N ATOM 989 CA TYR A 61 -2.744 -4.205 -4.567 1.00 0.00 C ATOM 990 C TYR A 61 -1.347 -4.722 -4.240 1.00 0.00 C ATOM 991 O TYR A 61 -1.094 -5.018 -3.074 1.00 0.00 O ATOM 992 CB TYR A 61 -3.084 -3.041 -3.628 1.00 0.00 C ATOM 993 CG TYR A 61 -4.489 -2.503 -3.784 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.817 -1.653 -4.854 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.491 -2.925 -2.899 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.156 -1.280 -5.070 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.834 -2.662 -3.198 1.00 0.00 C ATOM 998 CZ TYR A 61 -7.167 -1.789 -4.240 1.00 0.00 C ATOM 999 OH TYR A 61 -8.441 -1.318 -4.346 1.00 0.00 O ATOM 0 H TYR A 61 -3.531 -5.806 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.782 -3.863 -5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.946 -3.369 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.376 -2.231 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.041 -1.286 -5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.229 -3.450 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.406 -0.603 -5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.616 -3.135 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.855 -1.292 -3.458 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.453 -4.846 -5.232 1.00 0.00 N ATOM 1010 CA GLN A 62 0.887 -5.379 -5.021 1.00 0.00 C ATOM 1011 C GLN A 62 1.856 -4.244 -4.713 1.00 0.00 C ATOM 1012 O GLN A 62 2.124 -3.399 -5.570 1.00 0.00 O ATOM 1013 CB GLN A 62 1.351 -6.167 -6.253 1.00 0.00 C ATOM 1014 CG GLN A 62 2.636 -6.961 -5.967 1.00 0.00 C ATOM 1015 CD GLN A 62 3.354 -7.335 -7.258 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.221 -6.609 -7.728 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.002 -8.466 -7.858 1.00 0.00 N ATOM 0 H GLN A 62 -0.644 -4.579 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 62 0.865 -6.060 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.562 -6.851 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.524 -5.480 -7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.300 -6.368 -5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.391 -7.865 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.277 -9.056 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.456 -8.745 -8.728 1.00 0.00 H new ATOM 1026 N LEU A 63 2.399 -4.243 -3.496 1.00 0.00 N ATOM 1027 CA LEU A 63 3.357 -3.255 -3.041 1.00 0.00 C ATOM 1028 C LEU A 63 4.664 -3.967 -2.705 1.00 0.00 C ATOM 1029 O LEU A 63 4.664 -5.032 -2.087 1.00 0.00 O ATOM 1030 CB LEU A 63 2.787 -2.526 -1.824 1.00 0.00 C ATOM 1031 CG LEU A 63 1.466 -1.814 -2.164 1.00 0.00 C ATOM 1032 CD1 LEU A 63 0.528 -1.934 -0.974 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.682 -0.326 -2.467 1.00 0.00 C ATOM 0 H LEU A 63 2.176 -4.945 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 63 3.553 -2.514 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.621 -3.239 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.512 -1.797 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 63 1.045 -2.286 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.413 -1.433 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.338 -2.987 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.986 -1.468 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.725 0.140 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.119 0.163 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.355 -0.222 -3.318 1.00 0.00 H new ATOM 1045 N TYR A 64 5.777 -3.381 -3.136 1.00 0.00 N ATOM 1046 CA TYR A 64 7.114 -3.901 -2.932 1.00 0.00 C ATOM 1047 C TYR A 64 7.738 -3.165 -1.735 1.00 0.00 C ATOM 1048 O TYR A 64 8.289 -2.070 -1.879 1.00 0.00 O ATOM 1049 CB TYR A 64 7.863 -3.717 -4.261 1.00 0.00 C ATOM 1050 CG TYR A 64 7.649 -4.821 -5.289 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.056 -6.141 -5.010 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.139 -4.512 -6.564 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.894 -7.150 -5.977 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.002 -5.519 -7.537 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.327 -6.851 -7.226 1.00 0.00 C ATOM 1056 OH TYR A 64 7.078 -7.851 -8.124 1.00 0.00 O ATOM 0 H TYR A 64 5.766 -2.502 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 64 7.147 -4.961 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.558 -2.768 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.930 -3.642 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.493 -6.379 -4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.852 -3.497 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.207 -8.160 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.646 -5.268 -8.525 1.00 0.00 H new ATOM 0 HH TYR A 64 6.133 -7.830 -8.383 1.00 0.00 H new ATOM 1066 N VAL A 65 7.614 -3.745 -0.533 1.00 0.00 N ATOM 1067 CA VAL A 65 8.091 -3.125 0.702 1.00 0.00 C ATOM 1068 C VAL A 65 9.576 -3.433 0.883 1.00 0.00 C ATOM 1069 O VAL A 65 9.990 -4.576 0.711 1.00 0.00 O ATOM 1070 CB VAL A 65 7.264 -3.609 1.905 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.885 -3.124 3.218 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.831 -3.073 1.835 1.00 0.00 C ATOM 0 H VAL A 65 7.180 -4.657 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 65 7.967 -2.044 0.638 1.00 0.00 H new ATOM 0 HB VAL A 65 7.256 -4.698 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.285 -3.477 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.899 -3.515 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.914 -2.034 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.267 -3.429 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.850 -1.983 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.355 -3.424 0.919 1.00 0.00 H new ATOM 1082 N TYR A 66 10.374 -2.428 1.259 1.00 0.00 N ATOM 1083 CA TYR A 66 11.824 -2.527 1.307 1.00 0.00 C ATOM 1084 C TYR A 66 12.286 -2.880 2.723 1.00 0.00 C ATOM 1085 O TYR A 66 13.089 -2.166 3.324 1.00 0.00 O ATOM 1086 CB TYR A 66 12.411 -1.197 0.810 1.00 0.00 C ATOM 1087 CG TYR A 66 13.845 -1.295 0.348 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.152 -2.159 -0.712 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.864 -0.553 0.970 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.484 -2.322 -1.127 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.195 -0.701 0.542 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.506 -1.603 -0.492 1.00 0.00 C ATOM 1093 OH TYR A 66 17.799 -1.816 -0.856 1.00 0.00 O ATOM 0 H TYR A 66 10.020 -1.514 1.541 1.00 0.00 H new ATOM 0 HA TYR A 66 12.181 -3.328 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.799 -0.826 -0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.347 -0.461 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.362 -2.701 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.625 0.128 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.720 -3.000 -1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.979 -0.122 1.007 1.00 0.00 H new ATOM 0 HH TYR A 66 18.372 -1.784 -0.062 1.00 0.00 H new ATOM 1103 N ALA A 67 11.752 -3.964 3.289 1.00 0.00 N ATOM 1104 CA ALA A 67 11.954 -4.277 4.698 1.00 0.00 C ATOM 1105 C ALA A 67 13.243 -5.078 4.854 1.00 0.00 C ATOM 1106 O ALA A 67 13.571 -5.884 3.987 1.00 0.00 O ATOM 1107 CB ALA A 67 10.742 -4.990 5.311 1.00 0.00 C ATOM 0 H ALA A 67 11.175 -4.640 2.788 1.00 0.00 H new ATOM 0 HA ALA A 67 12.055 -3.346 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.938 -5.203 6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.863 -4.350 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.562 -5.924 4.779 1.00 0.00 H new ATOM 1113 N SER A 68 14.012 -4.847 5.921 1.00 0.00 N ATOM 1114 CA SER A 68 15.336 -5.444 6.069 1.00 0.00 C ATOM 1115 C SER A 68 16.254 -5.168 4.869 1.00 0.00 C ATOM 1116 O SER A 68 17.214 -5.907 4.674 1.00 0.00 O ATOM 1117 CB SER A 68 15.255 -6.949 6.395 1.00 0.00 C ATOM 1118 OG SER A 68 15.378 -7.135 7.788 1.00 0.00 O ATOM 0 H SER A 68 13.736 -4.247 6.698 1.00 0.00 H new ATOM 0 HA SER A 68 15.797 -4.950 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.307 -7.357 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.046 -7.488 5.874 1.00 0.00 H new ATOM 0 HG SER A 68 15.485 -8.090 7.982 1.00 0.00 H new ATOM 1124 N ASP A 69 15.988 -4.127 4.066 1.00 0.00 N ATOM 1125 CA ASP A 69 16.754 -3.843 2.859 1.00 0.00 C ATOM 1126 C ASP A 69 16.611 -5.005 1.860 1.00 0.00 C ATOM 1127 O ASP A 69 17.507 -5.252 1.057 1.00 0.00 O ATOM 1128 CB ASP A 69 18.206 -3.496 3.244 1.00 0.00 C ATOM 1129 CG ASP A 69 19.078 -3.028 2.083 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.826 -1.905 1.598 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.016 -3.774 1.728 1.00 0.00 O ATOM 0 H ASP A 69 15.234 -3.463 4.241 1.00 0.00 H new ATOM 0 HA ASP A 69 16.363 -2.967 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.189 -2.716 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.667 -4.374 3.697 1.00 0.00 H new ATOM 1136 N LYS A 70 15.465 -5.698 1.886 1.00 0.00 N ATOM 1137 CA LYS A 70 15.071 -6.690 0.899 1.00 0.00 C ATOM 1138 C LYS A 70 13.647 -6.362 0.477 1.00 0.00 C ATOM 1139 O LYS A 70 12.960 -5.593 1.149 1.00 0.00 O ATOM 1140 CB LYS A 70 15.101 -8.104 1.491 1.00 0.00 C ATOM 1141 CG LYS A 70 16.527 -8.632 1.711 1.00 0.00 C ATOM 1142 CD LYS A 70 16.850 -8.856 3.196 1.00 0.00 C ATOM 1143 CE LYS A 70 17.607 -10.177 3.378 1.00 0.00 C ATOM 1144 NZ LYS A 70 17.867 -10.463 4.799 1.00 0.00 N ATOM 0 H LYS A 70 14.770 -5.573 2.622 1.00 0.00 H new ATOM 0 HA LYS A 70 15.762 -6.664 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.568 -8.105 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.567 -8.782 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.651 -9.570 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.242 -7.925 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.451 -8.029 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.928 -8.873 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.028 -10.991 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.552 -10.133 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.380 -11.364 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.441 -9.698 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.964 -10.530 5.311 1.00 0.00 H new ATOM 1158 N LEU A 71 13.207 -6.942 -0.639 1.00 0.00 N ATOM 1159 CA LEU A 71 11.888 -6.673 -1.165 1.00 0.00 C ATOM 1160 C LEU A 71 10.939 -7.736 -0.621 1.00 0.00 C ATOM 1161 O LEU A 71 10.968 -8.887 -1.052 1.00 0.00 O ATOM 1162 CB LEU A 71 11.917 -6.651 -2.697 1.00 0.00 C ATOM 1163 CG LEU A 71 12.367 -5.300 -3.267 1.00 0.00 C ATOM 1164 CD1 LEU A 71 11.383 -4.187 -2.899 1.00 0.00 C ATOM 1165 CD2 LEU A 71 13.791 -4.938 -2.842 1.00 0.00 C ATOM 0 H LEU A 71 13.754 -7.602 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 71 11.538 -5.690 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.589 -7.432 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.923 -6.887 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 71 12.373 -5.401 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.730 -3.242 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.399 -4.423 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.319 -4.102 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.064 -3.974 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.843 -4.880 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.482 -5.702 -3.198 1.00 0.00 H new ATOM 1177 N PHE A 72 10.092 -7.355 0.330 1.00 0.00 N ATOM 1178 CA PHE A 72 8.985 -8.180 0.767 1.00 0.00 C ATOM 1179 C PHE A 72 7.819 -7.876 -0.166 1.00 0.00 C ATOM 1180 O PHE A 72 7.375 -6.728 -0.253 1.00 0.00 O ATOM 1181 CB PHE A 72 8.657 -7.878 2.231 1.00 0.00 C ATOM 1182 CG PHE A 72 9.584 -8.581 3.199 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.389 -9.932 3.543 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.706 -7.899 3.680 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.328 -10.588 4.359 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.672 -8.557 4.458 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.480 -9.907 4.801 1.00 0.00 C ATOM 0 H PHE A 72 10.159 -6.461 0.817 1.00 0.00 H new ATOM 0 HA PHE A 72 9.221 -9.243 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.715 -6.802 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.629 -8.178 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.521 -10.463 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.831 -6.851 3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.166 -11.616 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.555 -8.031 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.215 -10.422 5.403 1.00 0.00 H new ATOM 1197 N ARG A 73 7.344 -8.901 -0.878 1.00 0.00 N ATOM 1198 CA ARG A 73 6.191 -8.777 -1.741 1.00 0.00 C ATOM 1199 C ARG A 73 4.985 -8.659 -0.820 1.00 0.00 C ATOM 1200 O ARG A 73 4.698 -9.604 -0.088 1.00 0.00 O ATOM 1201 CB ARG A 73 6.085 -10.004 -2.663 1.00 0.00 C ATOM 1202 CG ARG A 73 5.707 -9.574 -4.080 1.00 0.00 C ATOM 1203 CD ARG A 73 5.624 -10.779 -5.019 1.00 0.00 C ATOM 1204 NE ARG A 73 5.827 -10.352 -6.407 1.00 0.00 N ATOM 1205 CZ ARG A 73 5.925 -11.175 -7.457 1.00 0.00 C ATOM 1206 NH1 ARG A 73 5.628 -12.475 -7.334 1.00 0.00 N ATOM 1207 NH2 ARG A 73 6.342 -10.672 -8.620 1.00 0.00 N ATOM 0 H ARG A 73 7.755 -9.835 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 73 6.260 -7.906 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.035 -10.538 -2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.337 -10.696 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.748 -9.056 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.445 -8.866 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.378 -11.517 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.652 -11.262 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 73 5.899 -9.350 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.324 -12.846 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.706 -13.094 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.577 -9.682 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.426 -11.277 -9.437 1.00 0.00 H new ATOM 1221 N ALA A 74 4.320 -7.505 -0.791 1.00 0.00 N ATOM 1222 CA ALA A 74 3.207 -7.277 0.109 1.00 0.00 C ATOM 1223 C ALA A 74 1.968 -6.944 -0.721 1.00 0.00 C ATOM 1224 O ALA A 74 1.817 -5.823 -1.205 1.00 0.00 O ATOM 1225 CB ALA A 74 3.587 -6.246 1.177 1.00 0.00 C ATOM 0 H ALA A 74 4.541 -6.710 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 74 2.957 -8.172 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.741 -6.086 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.438 -6.613 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.853 -5.305 0.696 1.00 0.00 H new ATOM 1231 N ASP A 75 1.106 -7.944 -0.931 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.088 -7.845 -1.748 1.00 0.00 C ATOM 1233 C ASP A 75 -1.308 -7.846 -0.834 1.00 0.00 C ATOM 1234 O ASP A 75 -1.708 -8.892 -0.344 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.130 -8.949 -2.816 1.00 0.00 C ATOM 1236 CG ASP A 75 0.067 -10.361 -2.268 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.211 -10.643 -1.845 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.907 -11.142 -2.326 1.00 0.00 O ATOM 0 H ASP A 75 1.232 -8.869 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.083 -6.908 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.089 -8.903 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.642 -8.749 -3.559 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.889 -6.676 -0.575 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.099 -6.574 0.236 1.00 0.00 C ATOM 1245 C ILE A 76 -4.294 -6.821 -0.672 1.00 0.00 C ATOM 1246 O ILE A 76 -4.293 -6.334 -1.801 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.165 -5.184 0.890 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.270 -5.194 2.137 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.603 -4.761 1.253 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -1.768 -3.792 2.477 1.00 0.00 C ATOM 0 H ILE A 76 -1.538 -5.781 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.099 -7.314 1.037 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.810 -4.447 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.827 -5.597 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.420 -5.856 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.587 -3.772 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.213 -4.733 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.027 -5.479 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.138 -3.837 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.189 -3.400 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.618 -3.138 2.668 1.00 0.00 H new ATOM 1262 N SER A 77 -5.308 -7.534 -0.165 1.00 0.00 N ATOM 1263 CA SER A 77 -6.604 -7.663 -0.814 1.00 0.00 C ATOM 1264 C SER A 77 -7.593 -6.714 -0.168 1.00 0.00 C ATOM 1265 O SER A 77 -7.458 -6.401 1.015 1.00 0.00 O ATOM 1266 CB SER A 77 -7.137 -9.102 -0.757 1.00 0.00 C ATOM 1267 OG SER A 77 -7.246 -9.630 -2.064 1.00 0.00 O ATOM 0 H SER A 77 -5.243 -8.041 0.718 1.00 0.00 H new ATOM 0 HA SER A 77 -6.478 -7.406 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.469 -9.723 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.110 -9.119 -0.267 1.00 0.00 H new ATOM 0 HG SER A 77 -7.581 -8.937 -2.670 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.610 -6.308 -0.931 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.745 -5.586 -0.410 1.00 0.00 C ATOM 1275 C GLU A 78 -11.037 -6.238 -0.870 1.00 0.00 C ATOM 1276 O GLU A 78 -11.063 -6.905 -1.900 1.00 0.00 O ATOM 1277 CB GLU A 78 -9.697 -4.126 -0.855 1.00 0.00 C ATOM 1278 CG GLU A 78 -8.528 -3.379 -0.198 1.00 0.00 C ATOM 1279 CD GLU A 78 -8.595 -1.869 -0.420 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.151 -1.463 -1.467 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -8.074 -1.148 0.459 1.00 0.00 O ATOM 0 H GLU A 78 -8.658 -6.479 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.708 -5.616 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.598 -4.078 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.635 -3.635 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.526 -3.585 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.588 -3.760 -0.598 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.106 -6.036 -0.101 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.412 -6.606 -0.406 1.00 0.00 C ATOM 1290 C ASP A 79 -14.027 -5.819 -1.561 1.00 0.00 C ATOM 1291 O ASP A 79 -14.073 -4.593 -1.488 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.313 -6.558 0.838 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.549 -7.445 0.703 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.184 -7.390 -0.373 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -15.850 -8.150 1.688 1.00 0.00 O ATOM 0 H ASP A 79 -12.088 -5.473 0.749 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.309 -7.651 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.739 -6.871 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.626 -5.529 1.016 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.515 -6.503 -2.600 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.114 -5.840 -3.752 1.00 0.00 C ATOM 1302 C TYR A 80 -16.413 -5.120 -3.368 1.00 0.00 C ATOM 1303 O TYR A 80 -16.859 -4.238 -4.096 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.339 -6.870 -4.872 1.00 0.00 C ATOM 1305 CG TYR A 80 -15.452 -6.314 -6.281 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -14.340 -5.673 -6.858 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -16.544 -6.669 -7.098 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -14.330 -5.362 -8.229 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -16.522 -6.380 -8.474 1.00 0.00 C ATOM 1310 CZ TYR A 80 -15.413 -5.734 -9.040 1.00 0.00 C ATOM 1311 OH TYR A 80 -15.367 -5.512 -10.384 1.00 0.00 O ATOM 0 H TYR A 80 -14.505 -7.521 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.432 -5.073 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.516 -7.585 -4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.250 -7.426 -4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.489 -5.418 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.401 -7.165 -6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.489 -4.837 -8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -17.361 -6.656 -9.096 1.00 0.00 H new ATOM 0 HH TYR A 80 -16.197 -5.830 -10.797 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.029 -5.497 -2.238 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.294 -4.930 -1.808 1.00 0.00 C ATOM 1323 C LYS A 81 -18.109 -3.481 -1.361 1.00 0.00 C ATOM 1324 O LYS A 81 -18.723 -2.586 -1.935 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.908 -5.801 -0.700 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.358 -5.427 -0.360 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.299 -5.713 -1.537 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.763 -5.571 -1.102 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.682 -5.811 -2.230 1.00 0.00 N ATOM 0 H LYS A 81 -16.656 -6.204 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 81 -18.989 -4.920 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.873 -6.846 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.298 -5.714 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.685 -5.989 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.411 -4.370 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.088 -5.024 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.122 -6.720 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.976 -6.277 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.930 -4.572 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.665 -5.708 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.493 -5.121 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.538 -6.773 -2.597 1.00 0.00 H new ATOM 1343 N THR A 82 -17.321 -3.248 -0.302 1.00 0.00 N ATOM 1344 CA THR A 82 -17.068 -1.909 0.201 1.00 0.00 C ATOM 1345 C THR A 82 -15.588 -1.569 -0.014 1.00 0.00 C ATOM 1346 O THR A 82 -15.219 -1.074 -1.075 1.00 0.00 O ATOM 1347 CB THR A 82 -17.556 -1.866 1.654 1.00 0.00 C ATOM 1348 OG1 THR A 82 -18.950 -2.093 1.679 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.297 -0.517 2.306 1.00 0.00 C ATOM 0 H THR A 82 -16.848 -3.985 0.221 1.00 0.00 H new ATOM 0 HA THR A 82 -17.615 -1.131 -0.332 1.00 0.00 H new ATOM 0 HB THR A 82 -17.009 -2.632 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.269 -2.069 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.659 -0.534 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.227 -0.310 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.819 0.262 1.750 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.744 -1.840 0.984 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.301 -1.656 0.940 1.00 0.00 C ATOM 1359 C ARG A 83 -12.711 -2.264 2.215 1.00 0.00 C ATOM 1360 O ARG A 83 -11.955 -1.621 2.939 1.00 0.00 O ATOM 1361 CB ARG A 83 -12.904 -0.175 0.775 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.505 0.741 1.858 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.495 1.757 2.420 1.00 0.00 C ATOM 1364 NE ARG A 83 -12.945 3.143 2.238 1.00 0.00 N ATOM 1365 CZ ARG A 83 -12.872 3.826 1.087 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.411 3.234 -0.019 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.266 5.103 1.053 1.00 0.00 N ATOM 0 H ARG A 83 -15.066 -2.208 1.879 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.897 -2.162 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.817 -0.092 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.227 0.173 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.356 1.278 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.886 0.127 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.339 1.563 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.533 1.621 1.927 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.342 3.621 3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.113 2.259 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.357 3.757 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.619 5.551 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.214 5.630 0.181 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.088 -3.514 2.505 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.441 -4.283 3.558 1.00 0.00 C ATOM 1383 C GLY A 84 -10.960 -4.430 3.225 1.00 0.00 C ATOM 1384 O GLY A 84 -10.578 -4.125 2.100 1.00 0.00 O ATOM 0 H GLY A 84 -13.838 -4.009 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.563 -3.783 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.906 -5.265 3.648 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.132 -4.898 4.162 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.689 -5.004 3.969 1.00 0.00 C ATOM 1390 C ARG A 85 -8.218 -6.331 4.546 1.00 0.00 C ATOM 1391 O ARG A 85 -8.318 -6.521 5.757 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.993 -3.807 4.644 1.00 0.00 C ATOM 1393 CG ARG A 85 -7.045 -3.097 3.670 1.00 0.00 C ATOM 1394 CD ARG A 85 -6.828 -1.628 4.035 1.00 0.00 C ATOM 1395 NE ARG A 85 -6.356 -1.464 5.414 1.00 0.00 N ATOM 1396 CZ ARG A 85 -6.307 -0.284 6.046 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -6.613 0.843 5.393 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -5.961 -0.241 7.336 1.00 0.00 N ATOM 0 H ARG A 85 -10.448 -5.215 5.079 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.435 -4.979 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.743 -3.103 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.434 -4.151 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.084 -3.612 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.450 -3.162 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.103 -1.188 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.762 -1.081 3.905 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.048 -2.295 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.885 0.805 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.575 1.740 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.736 -1.103 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.921 0.654 7.824 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.753 -7.254 3.694 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.339 -8.585 4.111 1.00 0.00 C ATOM 1414 C LYS A 86 -5.842 -8.804 3.934 1.00 0.00 C ATOM 1415 O LYS A 86 -5.217 -8.312 2.989 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.138 -9.686 3.396 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.643 -9.677 3.699 1.00 0.00 C ATOM 1418 CD LYS A 86 -10.010 -9.475 5.181 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.315 -10.415 6.176 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.912 -11.762 6.151 1.00 0.00 N ATOM 0 H LYS A 86 -7.656 -7.090 2.692 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.558 -8.652 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.996 -9.581 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.729 -10.656 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.111 -8.885 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.072 -10.620 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.775 -8.447 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.088 -9.596 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.254 -10.481 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.389 -10.001 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.420 -12.373 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.919 -11.700 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.819 -12.165 5.197 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.288 -9.553 4.889 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.872 -9.798 5.034 1.00 0.00 C ATOM 1436 C LEU A 87 -3.439 -10.863 4.023 1.00 0.00 C ATOM 1437 O LEU A 87 -3.588 -12.057 4.268 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.644 -10.240 6.494 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.286 -9.818 7.060 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.272 -10.082 8.569 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.109 -10.530 6.382 1.00 0.00 C ATOM 0 H LEU A 87 -5.845 -10.019 5.605 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.272 -8.911 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.434 -9.822 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.731 -11.325 6.554 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.157 -8.755 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.308 -9.784 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.065 -9.506 9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.434 -11.144 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.173 -10.190 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.206 -11.607 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.110 -10.300 5.316 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.858 -10.420 2.906 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.176 -11.267 1.927 1.00 0.00 C ATOM 1455 C LEU A 88 -0.742 -10.765 1.672 1.00 0.00 C ATOM 1456 O LEU A 88 -0.019 -11.302 0.839 1.00 0.00 O ATOM 1457 CB LEU A 88 -3.026 -11.347 0.646 1.00 0.00 C ATOM 1458 CG LEU A 88 -4.147 -12.397 0.718 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -5.162 -12.183 -0.418 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -3.584 -13.821 0.610 1.00 0.00 C ATOM 0 H LEU A 88 -2.849 -9.432 2.651 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.072 -12.279 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.467 -10.369 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.376 -11.578 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.639 -12.278 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.948 -12.935 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.602 -11.190 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.656 -12.272 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.401 -14.540 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.063 -13.935 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.888 -14.000 1.429 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.319 -9.744 2.424 1.00 0.00 N ATOM 1473 CA ARG A 89 1.013 -9.170 2.398 1.00 0.00 C ATOM 1474 C ARG A 89 2.072 -10.105 2.992 1.00 0.00 C ATOM 1475 O ARG A 89 1.754 -11.146 3.563 1.00 0.00 O ATOM 1476 CB ARG A 89 1.033 -7.774 3.064 1.00 0.00 C ATOM 1477 CG ARG A 89 -0.097 -7.513 4.053 1.00 0.00 C ATOM 1478 CD ARG A 89 0.097 -6.119 4.639 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.997 -5.769 5.558 1.00 0.00 N ATOM 1480 CZ ARG A 89 -1.142 -6.304 6.782 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.187 -7.090 7.292 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.243 -6.063 7.496 1.00 0.00 N ATOM 0 H ARG A 89 -0.931 -9.280 3.095 1.00 0.00 H new ATOM 0 HA ARG A 89 1.282 -9.040 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.984 -7.649 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.993 -7.015 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.063 -7.585 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.091 -8.263 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.048 -6.074 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.146 -5.387 3.833 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.684 -5.082 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.656 -7.285 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.301 -7.494 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.980 -5.470 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.348 -6.472 8.425 1.00 0.00 H new ATOM 1496 N PHE A 90 3.338 -9.676 2.909 1.00 0.00 N ATOM 1497 CA PHE A 90 4.482 -10.304 3.538 1.00 0.00 C ATOM 1498 C PHE A 90 4.785 -11.681 2.939 1.00 0.00 C ATOM 1499 O PHE A 90 4.708 -12.699 3.621 1.00 0.00 O ATOM 1500 CB PHE A 90 4.275 -10.302 5.058 1.00 0.00 C ATOM 1501 CG PHE A 90 5.455 -9.765 5.833 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.551 -10.589 6.144 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.434 -8.431 6.272 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.587 -10.097 6.959 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.432 -7.963 7.140 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.508 -8.800 7.497 1.00 0.00 C ATOM 0 H PHE A 90 3.592 -8.845 2.376 1.00 0.00 H new ATOM 0 HA PHE A 90 5.384 -9.728 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.395 -9.705 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.068 -11.320 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.597 -11.597 5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.650 -7.766 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.445 -10.717 7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.375 -6.960 7.535 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.267 -8.448 8.179 1.00 0.00 H new ATOM 1516 N ASN A 91 5.163 -11.701 1.657 1.00 0.00 N ATOM 1517 CA ASN A 91 5.471 -12.916 0.919 1.00 0.00 C ATOM 1518 C ASN A 91 6.847 -12.822 0.269 1.00 0.00 C ATOM 1519 O ASN A 91 7.355 -11.728 0.003 1.00 0.00 O ATOM 1520 CB ASN A 91 4.413 -13.141 -0.166 1.00 0.00 C ATOM 1521 CG ASN A 91 4.253 -14.600 -0.582 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.803 -15.505 0.036 1.00 0.00 O ATOM 1523 ND2 ASN A 91 3.495 -14.838 -1.649 1.00 0.00 N ATOM 0 H ASN A 91 5.263 -10.854 1.098 1.00 0.00 H new ATOM 0 HA ASN A 91 5.471 -13.752 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.454 -12.769 0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.676 -12.550 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.358 -15.795 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.051 -14.063 -2.142 1.00 0.00 H new ATOM 1530 N GLY A 92 7.422 -13.991 -0.009 1.00 0.00 N ATOM 1531 CA GLY A 92 8.717 -14.143 -0.648 1.00 0.00 C ATOM 1532 C GLY A 92 9.727 -14.529 0.431 1.00 0.00 C ATOM 1533 O GLY A 92 9.602 -15.623 0.978 1.00 0.00 O ATOM 0 H GLY A 92 6.981 -14.883 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.673 -14.909 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.014 -13.214 -1.135 1.00 0.00 H new ATOM 1537 N PRO A 93 10.685 -13.663 0.799 1.00 0.00 N ATOM 1538 CA PRO A 93 10.981 -12.371 0.191 1.00 0.00 C ATOM 1539 C PRO A 93 11.536 -12.558 -1.224 1.00 0.00 C ATOM 1540 O PRO A 93 11.808 -13.683 -1.640 1.00 0.00 O ATOM 1541 CB PRO A 93 12.009 -11.721 1.122 1.00 0.00 C ATOM 1542 CG PRO A 93 12.732 -12.914 1.749 1.00 0.00 C ATOM 1543 CD PRO A 93 11.635 -13.972 1.853 1.00 0.00 C ATOM 0 HA PRO A 93 10.094 -11.747 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.697 -11.079 0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.529 -11.101 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.561 -13.254 1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.146 -12.666 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.045 -14.974 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.156 -13.944 2.832 1.00 0.00 H new ATOM 1551 N VAL A 94 11.678 -11.459 -1.968 1.00 0.00 N ATOM 1552 CA VAL A 94 12.218 -11.447 -3.322 1.00 0.00 C ATOM 1553 C VAL A 94 13.423 -10.491 -3.369 1.00 0.00 C ATOM 1554 O VAL A 94 13.543 -9.611 -2.513 1.00 0.00 O ATOM 1555 CB VAL A 94 11.104 -11.099 -4.336 1.00 0.00 C ATOM 1556 CG1 VAL A 94 9.919 -12.066 -4.218 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.576 -9.666 -4.221 1.00 0.00 C ATOM 0 H VAL A 94 11.413 -10.532 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 94 12.581 -12.434 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 94 11.583 -11.196 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.153 -11.794 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.259 -13.083 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.502 -12.009 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.798 -9.504 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.162 -9.510 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.392 -8.963 -4.389 1.00 0.00 H new ATOM 1567 N PRO A 95 14.352 -10.666 -4.323 1.00 0.00 N ATOM 1568 CA PRO A 95 15.492 -9.772 -4.477 1.00 0.00 C ATOM 1569 C PRO A 95 15.048 -8.429 -5.079 1.00 0.00 C ATOM 1570 O PRO A 95 13.940 -8.326 -5.606 1.00 0.00 O ATOM 1571 CB PRO A 95 16.462 -10.524 -5.397 1.00 0.00 C ATOM 1572 CG PRO A 95 15.538 -11.384 -6.256 1.00 0.00 C ATOM 1573 CD PRO A 95 14.416 -11.755 -5.287 1.00 0.00 C ATOM 0 HA PRO A 95 15.963 -9.525 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.053 -9.839 -6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.165 -11.133 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.161 -10.834 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.049 -12.267 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.467 -11.870 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.624 -12.704 -4.793 1.00 0.00 H new ATOM 1581 N PRO A 96 15.895 -7.389 -5.006 1.00 0.00 N ATOM 1582 CA PRO A 96 15.606 -6.092 -5.600 1.00 0.00 C ATOM 1583 C PRO A 96 15.557 -6.162 -7.131 1.00 0.00 C ATOM 1584 O PRO A 96 16.136 -7.073 -7.722 1.00 0.00 O ATOM 1585 CB PRO A 96 16.717 -5.157 -5.105 1.00 0.00 C ATOM 1586 CG PRO A 96 17.880 -6.106 -4.813 1.00 0.00 C ATOM 1587 CD PRO A 96 17.177 -7.369 -4.320 1.00 0.00 C ATOM 0 HA PRO A 96 14.621 -5.730 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.983 -4.416 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.413 -4.609 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.477 -6.298 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.554 -5.699 -4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.761 -8.260 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.044 -7.348 -3.238 1.00 0.00 H new ATOM 1595 N PRO A 97 14.869 -5.204 -7.777 1.00 0.00 N ATOM 1596 CA PRO A 97 14.734 -5.140 -9.224 1.00 0.00 C ATOM 1597 C PRO A 97 16.011 -4.562 -9.851 1.00 0.00 C ATOM 1598 O PRO A 97 16.001 -3.357 -10.191 1.00 0.00 O ATOM 1599 CB PRO A 97 13.496 -4.262 -9.453 1.00 0.00 C ATOM 1600 CG PRO A 97 13.544 -3.282 -8.279 1.00 0.00 C ATOM 1601 CD PRO A 97 14.086 -4.151 -7.143 1.00 0.00 C ATOM 1602 OXT PRO A 97 16.985 -5.333 -9.984 1.00 0.00 O ATOM 0 HA PRO A 97 14.607 -6.115 -9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.540 -3.745 -10.412 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.578 -4.850 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.195 -2.433 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.558 -2.879 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.702 -3.563 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.272 -4.572 -6.553 1.00 0.00 H new TER 1610 PRO A 97