USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 ASN : amide:sc= -8.67! C(o=-8.7!,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 13 ASN : amide:sc= -4.69 K(o=-4.7,f=-5.4!) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= -3.4! (180deg=-3.44!) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.0108 (180deg=-0.17) USER MOD Single : A 22 ASN : amide:sc= -6.13! C(o=-6.1!,f=-5.1!) USER MOD Single : A 25 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 62:sc= 0.718 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.139 (180deg=-0.761) USER MOD Single : A 33 MET CE :methyl 161:sc= -0.0695 (180deg=-0.742) USER MOD Single : A 41 GLN : amide:sc= -4.44 K(o=-4.4,f=-5.9!) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= -1.57 (180deg=-1.74) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.029) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= -0.141 (180deg=-2.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -35:sc= 0.046 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.194 (180deg=-0.784) USER MOD Single : A 63 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5.4!) USER MOD Single : A 71 GLN : amide:sc= -9.97! C(o=-10!,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.47! K(o=-3.5!,f=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 93 GLN : amide:sc= -5.65! K(o=-5.7!,f=-0.77) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 75:sc= 0.841 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 142:sc= -0.097! USER MOD Single : A 102 ASN : amide:sc= -2.93! C(o=-2.9!,f=-2.1!) USER MOD Single : A 103 GLN : amide:sc= -11.7! C(o=-12!,f=-4.9!) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= -0.823! (180deg=-1.92!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 11.979 5.175 10.921 1.00 0.00 N ATOM 14 CA ASP A 2 10.713 4.394 11.036 1.00 0.00 C ATOM 15 C ASP A 2 9.893 4.580 9.766 1.00 0.00 C ATOM 16 O ASP A 2 8.987 3.824 9.476 1.00 0.00 O ATOM 17 CB ASP A 2 9.899 4.943 12.208 1.00 0.00 C ATOM 18 CG ASP A 2 10.415 4.359 13.526 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.261 3.165 13.721 1.00 0.00 O ATOM 20 OD2 ASP A 2 10.954 5.116 14.315 1.00 0.00 O ATOM 0 HA ASP A 2 10.946 3.340 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.968 6.031 12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.846 4.693 12.078 1.00 0.00 H new ATOM 25 N LEU A 3 10.201 5.591 9.017 1.00 0.00 N ATOM 26 CA LEU A 3 9.442 5.856 7.767 1.00 0.00 C ATOM 27 C LEU A 3 10.101 5.099 6.623 1.00 0.00 C ATOM 28 O LEU A 3 9.462 4.385 5.880 1.00 0.00 O ATOM 29 CB LEU A 3 9.460 7.357 7.457 1.00 0.00 C ATOM 30 CG LEU A 3 8.986 8.158 8.676 1.00 0.00 C ATOM 31 CD1 LEU A 3 8.909 9.642 8.304 1.00 0.00 C ATOM 32 CD2 LEU A 3 7.601 7.666 9.121 1.00 0.00 C ATOM 0 H LEU A 3 10.951 6.253 9.215 1.00 0.00 H new ATOM 0 HA LEU A 3 8.410 5.528 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.468 7.666 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.816 7.567 6.603 1.00 0.00 H new ATOM 0 HG LEU A 3 9.691 8.020 9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.572 10.216 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.895 9.992 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.205 9.775 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.272 8.240 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.889 7.798 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.658 6.610 9.386 1.00 0.00 H new ATOM 44 N GLU A 4 11.388 5.242 6.492 1.00 0.00 N ATOM 45 CA GLU A 4 12.111 4.525 5.417 1.00 0.00 C ATOM 46 C GLU A 4 12.007 3.043 5.715 1.00 0.00 C ATOM 47 O GLU A 4 12.118 2.197 4.849 1.00 0.00 O ATOM 48 CB GLU A 4 13.580 4.951 5.416 1.00 0.00 C ATOM 49 CG GLU A 4 13.677 6.467 5.609 1.00 0.00 C ATOM 50 CD GLU A 4 12.816 7.177 4.562 1.00 0.00 C ATOM 51 OE1 GLU A 4 12.912 6.815 3.400 1.00 0.00 O ATOM 52 OE2 GLU A 4 12.076 8.071 4.938 1.00 0.00 O ATOM 0 H GLU A 4 11.971 5.829 7.089 1.00 0.00 H new ATOM 0 HA GLU A 4 11.684 4.753 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.118 4.438 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.052 4.663 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.345 6.738 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.715 6.789 5.520 1.00 0.00 H new ATOM 59 N ASP A 5 11.796 2.731 6.957 1.00 0.00 N ATOM 60 CA ASP A 5 11.684 1.312 7.348 1.00 0.00 C ATOM 61 C ASP A 5 10.325 0.774 6.887 1.00 0.00 C ATOM 62 O ASP A 5 10.237 -0.246 6.233 1.00 0.00 O ATOM 63 CB ASP A 5 11.806 1.237 8.871 1.00 0.00 C ATOM 64 CG ASP A 5 11.225 -0.079 9.404 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.886 -1.095 9.262 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.132 -0.045 9.945 1.00 0.00 O ATOM 0 H ASP A 5 11.696 3.402 7.719 1.00 0.00 H new ATOM 0 HA ASP A 5 12.468 0.711 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.854 1.320 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.283 2.079 9.323 1.00 0.00 H new ATOM 71 N ASN A 6 9.264 1.456 7.230 1.00 0.00 N ATOM 72 CA ASN A 6 7.919 0.988 6.821 1.00 0.00 C ATOM 73 C ASN A 6 7.933 0.781 5.299 1.00 0.00 C ATOM 74 O ASN A 6 7.331 -0.133 4.778 1.00 0.00 O ATOM 75 CB ASN A 6 6.871 2.043 7.254 1.00 0.00 C ATOM 76 CG ASN A 6 5.729 2.138 6.239 1.00 0.00 C ATOM 77 OD1 ASN A 6 4.590 1.856 6.550 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.007 2.523 5.030 1.00 0.00 N ATOM 0 H ASN A 6 9.277 2.317 7.776 1.00 0.00 H new ATOM 0 HA ASN A 6 7.656 0.044 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.470 1.781 8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.352 3.016 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.265 2.590 4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.967 2.758 4.778 1.00 0.00 H new ATOM 85 N TRP A 7 8.614 1.638 4.585 1.00 0.00 N ATOM 86 CA TRP A 7 8.661 1.496 3.101 1.00 0.00 C ATOM 87 C TRP A 7 9.117 0.080 2.763 1.00 0.00 C ATOM 88 O TRP A 7 8.482 -0.625 2.007 1.00 0.00 O ATOM 89 CB TRP A 7 9.680 2.486 2.506 1.00 0.00 C ATOM 90 CG TRP A 7 9.141 3.886 2.418 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.300 4.483 3.299 1.00 0.00 C ATOM 92 CD2 TRP A 7 9.434 4.884 1.399 1.00 0.00 C ATOM 93 NE1 TRP A 7 8.059 5.783 2.878 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.736 6.073 1.710 1.00 0.00 C ATOM 95 CE3 TRP A 7 10.232 4.866 0.241 1.00 0.00 C ATOM 96 CZ2 TRP A 7 8.830 7.206 0.899 1.00 0.00 C ATOM 97 CZ3 TRP A 7 10.328 6.003 -0.576 1.00 0.00 C ATOM 98 CH2 TRP A 7 9.629 7.170 -0.247 1.00 0.00 C ATOM 0 H TRP A 7 9.138 2.427 4.964 1.00 0.00 H new ATOM 0 HA TRP A 7 7.672 1.698 2.689 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.582 2.486 3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.970 2.149 1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 7 7.886 4.022 4.183 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.456 6.443 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.775 3.970 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 8.289 8.104 1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 10.944 5.977 -1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 7 9.707 8.043 -0.879 1.00 0.00 H new ATOM 109 N GLU A 8 10.219 -0.339 3.312 1.00 0.00 N ATOM 110 CA GLU A 8 10.715 -1.691 3.017 1.00 0.00 C ATOM 111 C GLU A 8 9.633 -2.710 3.366 1.00 0.00 C ATOM 112 O GLU A 8 9.553 -3.766 2.773 1.00 0.00 O ATOM 113 CB GLU A 8 11.957 -1.954 3.863 1.00 0.00 C ATOM 114 CG GLU A 8 12.642 -3.217 3.366 1.00 0.00 C ATOM 115 CD GLU A 8 13.685 -3.673 4.387 1.00 0.00 C ATOM 116 OE1 GLU A 8 14.242 -2.819 5.057 1.00 0.00 O ATOM 117 OE2 GLU A 8 13.909 -4.868 4.482 1.00 0.00 O ATOM 0 H GLU A 8 10.795 0.206 3.954 1.00 0.00 H new ATOM 0 HA GLU A 8 10.964 -1.777 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.640 -1.107 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.681 -2.064 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.905 -4.004 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.119 -3.029 2.404 1.00 0.00 H new ATOM 124 N THR A 9 8.799 -2.411 4.327 1.00 0.00 N ATOM 125 CA THR A 9 7.738 -3.382 4.701 1.00 0.00 C ATOM 126 C THR A 9 6.697 -3.482 3.584 1.00 0.00 C ATOM 127 O THR A 9 6.535 -4.523 2.980 1.00 0.00 O ATOM 128 CB THR A 9 7.065 -2.967 6.012 1.00 0.00 C ATOM 129 OG1 THR A 9 8.050 -2.833 7.026 1.00 0.00 O ATOM 130 CG2 THR A 9 6.052 -4.039 6.418 1.00 0.00 C ATOM 0 H THR A 9 8.808 -1.543 4.863 1.00 0.00 H new ATOM 0 HA THR A 9 8.200 -4.359 4.844 1.00 0.00 H new ATOM 0 HB THR A 9 6.553 -2.014 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.621 -2.566 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.569 -3.749 7.351 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.299 -4.142 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.565 -4.991 6.556 1.00 0.00 H new ATOM 138 N LEU A 10 5.988 -2.423 3.290 1.00 0.00 N ATOM 139 CA LEU A 10 4.979 -2.527 2.200 1.00 0.00 C ATOM 140 C LEU A 10 5.708 -2.930 0.917 1.00 0.00 C ATOM 141 O LEU A 10 5.171 -3.611 0.065 1.00 0.00 O ATOM 142 CB LEU A 10 4.223 -1.198 2.015 1.00 0.00 C ATOM 143 CG LEU A 10 5.199 -0.039 1.692 1.00 0.00 C ATOM 144 CD1 LEU A 10 5.298 0.189 0.175 1.00 0.00 C ATOM 145 CD2 LEU A 10 4.705 1.258 2.349 1.00 0.00 C ATOM 0 H LEU A 10 6.061 -1.513 3.745 1.00 0.00 H new ATOM 0 HA LEU A 10 4.233 -3.280 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.495 -1.299 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.665 -0.965 2.922 1.00 0.00 H new ATOM 0 HG LEU A 10 6.181 -0.310 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.989 1.008 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.661 -0.719 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.314 0.440 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.396 2.069 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.715 1.505 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.654 1.122 3.429 1.00 0.00 H new ATOM 157 N ASN A 11 6.945 -2.532 0.778 1.00 0.00 N ATOM 158 CA ASN A 11 7.711 -2.931 -0.436 1.00 0.00 C ATOM 159 C ASN A 11 8.025 -4.433 -0.356 1.00 0.00 C ATOM 160 O ASN A 11 7.664 -5.210 -1.222 1.00 0.00 O ATOM 161 CB ASN A 11 9.011 -2.128 -0.524 1.00 0.00 C ATOM 162 CG ASN A 11 9.564 -2.206 -1.950 1.00 0.00 C ATOM 163 OD1 ASN A 11 10.628 -2.747 -2.173 1.00 0.00 O ATOM 164 ND2 ASN A 11 8.881 -1.681 -2.933 1.00 0.00 N ATOM 0 H ASN A 11 7.453 -1.953 1.447 1.00 0.00 H new ATOM 0 HA ASN A 11 7.117 -2.727 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.828 -1.089 -0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.742 -2.521 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.242 -1.726 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.987 -1.226 -2.747 1.00 0.00 H new ATOM 171 N ASP A 12 8.705 -4.839 0.688 1.00 0.00 N ATOM 172 CA ASP A 12 9.064 -6.280 0.852 1.00 0.00 C ATOM 173 C ASP A 12 7.795 -7.132 0.881 1.00 0.00 C ATOM 174 O ASP A 12 7.845 -8.343 0.789 1.00 0.00 O ATOM 175 CB ASP A 12 9.831 -6.466 2.164 1.00 0.00 C ATOM 176 CG ASP A 12 10.102 -7.955 2.389 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.667 -8.575 1.504 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.742 -8.449 3.445 1.00 0.00 O ATOM 0 H ASP A 12 9.029 -4.229 1.438 1.00 0.00 H new ATOM 0 HA ASP A 12 9.687 -6.593 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.771 -5.915 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.254 -6.061 2.995 1.00 0.00 H new ATOM 183 N ASN A 13 6.658 -6.510 0.995 1.00 0.00 N ATOM 184 CA ASN A 13 5.389 -7.276 1.019 1.00 0.00 C ATOM 185 C ASN A 13 5.107 -7.751 -0.412 1.00 0.00 C ATOM 186 O ASN A 13 4.871 -8.912 -0.661 1.00 0.00 O ATOM 187 CB ASN A 13 4.252 -6.326 1.460 1.00 0.00 C ATOM 188 CG ASN A 13 3.754 -6.615 2.883 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.677 -7.754 3.301 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.409 -5.601 3.649 1.00 0.00 N ATOM 0 H ASN A 13 6.555 -5.498 1.073 1.00 0.00 H new ATOM 0 HA ASN A 13 5.454 -8.122 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.604 -5.296 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.419 -6.416 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.075 -5.769 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.476 -4.647 3.293 1.00 0.00 H new ATOM 197 N LEU A 14 5.111 -6.824 -1.336 1.00 0.00 N ATOM 198 CA LEU A 14 4.811 -7.139 -2.764 1.00 0.00 C ATOM 199 C LEU A 14 5.740 -8.218 -3.311 1.00 0.00 C ATOM 200 O LEU A 14 5.333 -9.054 -4.099 1.00 0.00 O ATOM 201 CB LEU A 14 4.999 -5.862 -3.584 1.00 0.00 C ATOM 202 CG LEU A 14 3.855 -4.875 -3.279 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.336 -3.436 -3.481 1.00 0.00 C ATOM 204 CD2 LEU A 14 2.675 -5.147 -4.215 1.00 0.00 C ATOM 0 H LEU A 14 5.314 -5.841 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 14 3.788 -7.510 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.960 -5.405 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.013 -6.100 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 14 3.541 -5.009 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.521 -2.746 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.171 -3.234 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.659 -3.302 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.868 -4.447 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.994 -5.021 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.321 -6.167 -4.067 1.00 0.00 H new ATOM 216 N LYS A 15 6.978 -8.217 -2.926 1.00 0.00 N ATOM 217 CA LYS A 15 7.889 -9.255 -3.468 1.00 0.00 C ATOM 218 C LYS A 15 7.462 -10.614 -2.924 1.00 0.00 C ATOM 219 O LYS A 15 7.455 -11.591 -3.636 1.00 0.00 O ATOM 220 CB LYS A 15 9.337 -8.951 -3.054 1.00 0.00 C ATOM 221 CG LYS A 15 10.257 -10.179 -3.314 1.00 0.00 C ATOM 222 CD LYS A 15 10.586 -10.888 -1.985 1.00 0.00 C ATOM 223 CE LYS A 15 10.969 -12.339 -2.257 1.00 0.00 C ATOM 224 NZ LYS A 15 11.817 -12.409 -3.481 1.00 0.00 N ATOM 0 H LYS A 15 7.395 -7.556 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 15 7.836 -9.262 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.706 -8.090 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.369 -8.684 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.764 -10.874 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.178 -9.857 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.404 -10.374 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.725 -10.848 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.509 -12.750 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.072 -12.944 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.050 -13.402 -3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.299 -12.002 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.694 -11.872 -3.327 1.00 0.00 H new ATOM 238 N VAL A 16 7.102 -10.692 -1.677 1.00 0.00 N ATOM 239 CA VAL A 16 6.687 -12.010 -1.123 1.00 0.00 C ATOM 240 C VAL A 16 5.471 -12.533 -1.900 1.00 0.00 C ATOM 241 O VAL A 16 5.223 -13.719 -1.938 1.00 0.00 O ATOM 242 CB VAL A 16 6.345 -11.873 0.365 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.726 -13.179 0.869 1.00 0.00 C ATOM 244 CG2 VAL A 16 7.626 -11.592 1.161 1.00 0.00 C ATOM 0 H VAL A 16 7.076 -9.911 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 16 7.509 -12.718 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 16 5.639 -11.053 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.483 -13.082 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.817 -13.392 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.436 -13.994 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.383 -11.495 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.327 -12.415 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.079 -10.666 0.806 1.00 0.00 H new ATOM 254 N ILE A 17 4.712 -11.666 -2.517 1.00 0.00 N ATOM 255 CA ILE A 17 3.521 -12.142 -3.288 1.00 0.00 C ATOM 256 C ILE A 17 3.977 -12.883 -4.548 1.00 0.00 C ATOM 257 O ILE A 17 3.853 -14.092 -4.660 1.00 0.00 O ATOM 258 CB ILE A 17 2.656 -10.948 -3.689 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.457 -10.062 -2.470 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.301 -11.438 -4.195 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.486 -8.926 -2.801 1.00 0.00 C ATOM 0 H ILE A 17 4.861 -10.657 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 17 2.941 -12.819 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 17 3.146 -10.385 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.069 -10.653 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.414 -9.651 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.688 -10.583 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.448 -12.084 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.799 -11.998 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.349 -8.296 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.891 -8.327 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.525 -9.344 -3.100 1.00 0.00 H new ATOM 273 N GLU A 18 4.505 -12.168 -5.503 1.00 0.00 N ATOM 274 CA GLU A 18 4.963 -12.831 -6.758 1.00 0.00 C ATOM 275 C GLU A 18 5.811 -14.045 -6.394 1.00 0.00 C ATOM 276 O GLU A 18 5.915 -14.993 -7.148 1.00 0.00 O ATOM 277 CB GLU A 18 5.780 -11.832 -7.594 1.00 0.00 C ATOM 278 CG GLU A 18 5.219 -10.413 -7.382 1.00 0.00 C ATOM 279 CD GLU A 18 5.448 -9.559 -8.635 1.00 0.00 C ATOM 280 OE1 GLU A 18 4.581 -9.561 -9.495 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.484 -8.922 -8.713 1.00 0.00 O ATOM 0 H GLU A 18 4.639 -11.157 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 18 4.106 -13.158 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.829 -11.868 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.734 -12.100 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.153 -10.465 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.702 -9.948 -6.523 1.00 0.00 H new ATOM 288 N LYS A 19 6.404 -14.021 -5.229 1.00 0.00 N ATOM 289 CA LYS A 19 7.243 -15.177 -4.780 1.00 0.00 C ATOM 290 C LYS A 19 6.458 -16.005 -3.749 1.00 0.00 C ATOM 291 O LYS A 19 6.931 -17.019 -3.274 1.00 0.00 O ATOM 292 CB LYS A 19 8.564 -14.650 -4.163 1.00 0.00 C ATOM 293 CG LYS A 19 9.728 -14.878 -5.141 1.00 0.00 C ATOM 294 CD LYS A 19 9.515 -14.059 -6.447 1.00 0.00 C ATOM 295 CE LYS A 19 10.535 -12.918 -6.536 1.00 0.00 C ATOM 296 NZ LYS A 19 11.894 -13.486 -6.757 1.00 0.00 N ATOM 0 H LYS A 19 6.344 -13.249 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 19 7.485 -15.813 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.471 -13.588 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.764 -15.160 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.667 -14.586 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.807 -15.939 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.615 -14.712 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.504 -13.653 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.273 -12.244 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.520 -12.329 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.504 -12.767 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.302 -13.776 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.827 -14.313 -7.385 1.00 0.00 H new ATOM 310 N ALA A 20 5.260 -15.602 -3.411 1.00 0.00 N ATOM 311 CA ALA A 20 4.469 -16.398 -2.431 1.00 0.00 C ATOM 312 C ALA A 20 4.325 -17.805 -2.988 1.00 0.00 C ATOM 313 O ALA A 20 4.380 -18.782 -2.271 1.00 0.00 O ATOM 314 CB ALA A 20 3.076 -15.781 -2.240 1.00 0.00 C ATOM 0 H ALA A 20 4.801 -14.764 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 20 4.974 -16.409 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.511 -16.374 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.178 -14.761 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.549 -15.769 -3.194 1.00 0.00 H new ATOM 320 N ASP A 21 4.146 -17.894 -4.274 1.00 0.00 N ATOM 321 CA ASP A 21 4.003 -19.216 -4.948 1.00 0.00 C ATOM 322 C ASP A 21 2.823 -20.012 -4.369 1.00 0.00 C ATOM 323 O ASP A 21 2.441 -21.029 -4.911 1.00 0.00 O ATOM 324 CB ASP A 21 5.303 -20.017 -4.800 1.00 0.00 C ATOM 325 CG ASP A 21 6.371 -19.438 -5.729 1.00 0.00 C ATOM 326 OD1 ASP A 21 6.252 -18.277 -6.086 1.00 0.00 O ATOM 327 OD2 ASP A 21 7.291 -20.163 -6.068 1.00 0.00 O ATOM 0 H ASP A 21 4.091 -17.091 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 21 3.803 -19.041 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.648 -19.982 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.126 -21.065 -5.042 1.00 0.00 H new ATOM 332 N ASN A 22 2.218 -19.560 -3.292 1.00 0.00 N ATOM 333 CA ASN A 22 1.042 -20.309 -2.729 1.00 0.00 C ATOM 334 C ASN A 22 0.055 -19.325 -2.103 1.00 0.00 C ATOM 335 O ASN A 22 0.435 -18.339 -1.516 1.00 0.00 O ATOM 336 CB ASN A 22 1.472 -21.321 -1.656 1.00 0.00 C ATOM 337 CG ASN A 22 2.814 -21.912 -2.026 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.955 -23.111 -2.172 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.808 -21.111 -2.182 1.00 0.00 N ATOM 0 H ASN A 22 2.482 -18.716 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 22 0.576 -20.851 -3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.534 -20.832 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.727 -22.112 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.726 -21.480 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.678 -20.107 -2.057 1.00 0.00 H new ATOM 346 N ALA A 23 -1.208 -19.608 -2.223 1.00 0.00 N ATOM 347 CA ALA A 23 -2.250 -18.710 -1.647 1.00 0.00 C ATOM 348 C ALA A 23 -2.039 -18.518 -0.146 1.00 0.00 C ATOM 349 O ALA A 23 -2.506 -17.557 0.423 1.00 0.00 O ATOM 350 CB ALA A 23 -3.627 -19.327 -1.893 1.00 0.00 C ATOM 0 H ALA A 23 -1.571 -20.433 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.179 -17.735 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.396 -18.678 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.789 -19.439 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.678 -20.305 -1.414 1.00 0.00 H new ATOM 356 N ALA A 24 -1.355 -19.418 0.502 1.00 0.00 N ATOM 357 CA ALA A 24 -1.145 -19.274 1.973 1.00 0.00 C ATOM 358 C ALA A 24 -0.278 -18.045 2.270 1.00 0.00 C ATOM 359 O ALA A 24 -0.651 -17.184 3.042 1.00 0.00 O ATOM 360 CB ALA A 24 -0.443 -20.526 2.506 1.00 0.00 C ATOM 0 H ALA A 24 -0.933 -20.245 0.081 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.113 -19.151 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.287 -20.426 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.061 -21.402 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.520 -20.643 2.009 1.00 0.00 H new ATOM 366 N GLN A 25 0.881 -17.965 1.680 1.00 0.00 N ATOM 367 CA GLN A 25 1.782 -16.811 1.939 1.00 0.00 C ATOM 368 C GLN A 25 1.178 -15.516 1.375 1.00 0.00 C ATOM 369 O GLN A 25 1.586 -14.429 1.734 1.00 0.00 O ATOM 370 CB GLN A 25 3.143 -17.080 1.281 1.00 0.00 C ATOM 371 CG GLN A 25 3.462 -18.584 1.323 1.00 0.00 C ATOM 372 CD GLN A 25 4.968 -18.797 1.146 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.640 -19.260 2.047 1.00 0.00 O ATOM 374 NE2 GLN A 25 5.528 -18.479 0.011 1.00 0.00 N ATOM 0 H GLN A 25 1.245 -18.656 1.024 1.00 0.00 H new ATOM 0 HA GLN A 25 1.907 -16.691 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.132 -16.731 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.923 -16.520 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.134 -19.009 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.916 -19.104 0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.964 -18.091 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.530 -18.619 -0.120 1.00 0.00 H new ATOM 383 N VAL A 26 0.211 -15.615 0.506 1.00 0.00 N ATOM 384 CA VAL A 26 -0.401 -14.366 -0.054 1.00 0.00 C ATOM 385 C VAL A 26 -1.221 -13.699 1.043 1.00 0.00 C ATOM 386 O VAL A 26 -1.088 -12.515 1.283 1.00 0.00 O ATOM 387 CB VAL A 26 -1.315 -14.671 -1.254 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.874 -13.360 -1.842 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.520 -15.391 -2.350 1.00 0.00 C ATOM 0 H VAL A 26 -0.181 -16.491 0.160 1.00 0.00 H new ATOM 0 HA VAL A 26 0.398 -13.711 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.133 -15.303 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.519 -13.588 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.449 -12.835 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.049 -12.729 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.175 -15.603 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.303 -14.757 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.122 -16.326 -1.956 1.00 0.00 H new ATOM 399 N LYS A 27 -2.060 -14.431 1.736 1.00 0.00 N ATOM 400 CA LYS A 27 -2.841 -13.779 2.818 1.00 0.00 C ATOM 401 C LYS A 27 -1.839 -13.128 3.749 1.00 0.00 C ATOM 402 O LYS A 27 -1.922 -11.967 4.090 1.00 0.00 O ATOM 403 CB LYS A 27 -3.607 -14.816 3.645 1.00 0.00 C ATOM 404 CG LYS A 27 -4.681 -15.554 2.801 1.00 0.00 C ATOM 405 CD LYS A 27 -4.386 -17.064 2.782 1.00 0.00 C ATOM 406 CE LYS A 27 -4.628 -17.677 4.166 1.00 0.00 C ATOM 407 NZ LYS A 27 -4.872 -19.141 4.020 1.00 0.00 N ATOM 0 H LYS A 27 -2.231 -15.427 1.600 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.547 -13.074 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.906 -15.543 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.086 -14.323 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.671 -15.373 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.688 -15.163 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.021 -17.555 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.353 -17.235 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.766 -17.503 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.484 -17.200 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.037 -19.561 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.707 -19.296 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.043 -19.589 3.581 1.00 0.00 H new ATOM 421 N ASP A 28 -0.883 -13.907 4.149 1.00 0.00 N ATOM 422 CA ASP A 28 0.171 -13.416 5.064 1.00 0.00 C ATOM 423 C ASP A 28 0.827 -12.173 4.471 1.00 0.00 C ATOM 424 O ASP A 28 1.151 -11.235 5.171 1.00 0.00 O ATOM 425 CB ASP A 28 1.224 -14.516 5.215 1.00 0.00 C ATOM 426 CG ASP A 28 0.545 -15.818 5.644 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.673 -15.829 5.724 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.253 -16.780 5.886 1.00 0.00 O ATOM 0 H ASP A 28 -0.786 -14.884 3.874 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.262 -13.165 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.751 -14.662 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.969 -14.222 5.954 1.00 0.00 H new ATOM 433 N ALA A 29 1.042 -12.165 3.187 1.00 0.00 N ATOM 434 CA ALA A 29 1.693 -10.988 2.557 1.00 0.00 C ATOM 435 C ALA A 29 0.755 -9.776 2.599 1.00 0.00 C ATOM 436 O ALA A 29 1.068 -8.763 3.192 1.00 0.00 O ATOM 437 CB ALA A 29 2.044 -11.311 1.104 1.00 0.00 C ATOM 0 H ALA A 29 0.795 -12.921 2.548 1.00 0.00 H new ATOM 0 HA ALA A 29 2.602 -10.752 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.521 -10.446 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.726 -12.160 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.134 -11.557 0.556 1.00 0.00 H new ATOM 443 N LEU A 30 -0.383 -9.861 1.961 1.00 0.00 N ATOM 444 CA LEU A 30 -1.321 -8.700 1.954 1.00 0.00 C ATOM 445 C LEU A 30 -1.800 -8.387 3.378 1.00 0.00 C ATOM 446 O LEU A 30 -2.175 -7.271 3.678 1.00 0.00 O ATOM 447 CB LEU A 30 -2.532 -9.008 1.069 1.00 0.00 C ATOM 448 CG LEU A 30 -2.084 -9.321 -0.366 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.320 -9.645 -1.220 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.348 -8.109 -0.967 1.00 0.00 C ATOM 0 H LEU A 30 -0.703 -10.681 1.446 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.791 -7.834 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.082 -9.856 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.213 -8.157 1.066 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.407 -10.175 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.009 -9.868 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.836 -10.509 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.993 -8.788 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.035 -8.342 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.016 -7.248 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.472 -7.878 -0.361 1.00 0.00 H new ATOM 462 N THR A 31 -1.788 -9.349 4.259 1.00 0.00 N ATOM 463 CA THR A 31 -2.242 -9.079 5.658 1.00 0.00 C ATOM 464 C THR A 31 -1.341 -8.011 6.267 1.00 0.00 C ATOM 465 O THR A 31 -1.789 -7.075 6.900 1.00 0.00 O ATOM 466 CB THR A 31 -2.107 -10.357 6.489 1.00 0.00 C ATOM 467 OG1 THR A 31 -3.039 -11.325 6.027 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.386 -10.051 7.964 1.00 0.00 C ATOM 0 H THR A 31 -1.486 -10.306 4.075 1.00 0.00 H new ATOM 0 HA THR A 31 -3.280 -8.746 5.651 1.00 0.00 H new ATOM 0 HB THR A 31 -1.093 -10.744 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.842 -11.549 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.288 -10.965 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.671 -9.311 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.398 -9.659 8.069 1.00 0.00 H new ATOM 476 N LYS A 32 -0.067 -8.167 6.083 1.00 0.00 N ATOM 477 CA LYS A 32 0.906 -7.202 6.644 1.00 0.00 C ATOM 478 C LYS A 32 0.822 -5.883 5.871 1.00 0.00 C ATOM 479 O LYS A 32 1.072 -4.822 6.405 1.00 0.00 O ATOM 480 CB LYS A 32 2.297 -7.824 6.502 1.00 0.00 C ATOM 481 CG LYS A 32 2.552 -8.826 7.649 1.00 0.00 C ATOM 482 CD LYS A 32 3.257 -8.128 8.819 1.00 0.00 C ATOM 483 CE LYS A 32 3.538 -9.146 9.925 1.00 0.00 C ATOM 484 NZ LYS A 32 2.265 -9.820 10.313 1.00 0.00 N ATOM 0 H LYS A 32 0.349 -8.936 5.558 1.00 0.00 H new ATOM 0 HA LYS A 32 0.695 -6.991 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.380 -8.331 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.056 -7.042 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.607 -9.251 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.163 -9.654 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.190 -7.678 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.634 -7.320 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.262 -9.884 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.977 -8.648 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.370 -10.244 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.494 -9.122 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.042 -10.565 9.622 1.00 0.00 H new ATOM 498 N MET A 33 0.454 -5.939 4.622 1.00 0.00 N ATOM 499 CA MET A 33 0.331 -4.681 3.830 1.00 0.00 C ATOM 500 C MET A 33 -0.778 -3.837 4.423 1.00 0.00 C ATOM 501 O MET A 33 -0.558 -2.774 4.970 1.00 0.00 O ATOM 502 CB MET A 33 -0.066 -5.006 2.395 1.00 0.00 C ATOM 503 CG MET A 33 1.111 -5.635 1.669 1.00 0.00 C ATOM 504 SD MET A 33 0.755 -5.726 -0.103 1.00 0.00 S ATOM 505 CE MET A 33 1.336 -4.066 -0.539 1.00 0.00 C ATOM 0 H MET A 33 0.234 -6.797 4.116 1.00 0.00 H new ATOM 0 HA MET A 33 1.286 -4.157 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.917 -5.688 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.381 -4.098 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.012 -5.046 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.303 -6.633 2.063 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.527 -4.017 -1.611 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.575 -3.332 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.256 -3.848 0.004 1.00 0.00 H new ATOM 515 N ARG A 34 -1.982 -4.315 4.300 1.00 0.00 N ATOM 516 CA ARG A 34 -3.140 -3.557 4.834 1.00 0.00 C ATOM 517 C ARG A 34 -2.826 -3.133 6.263 1.00 0.00 C ATOM 518 O ARG A 34 -3.367 -2.177 6.762 1.00 0.00 O ATOM 519 CB ARG A 34 -4.401 -4.437 4.802 1.00 0.00 C ATOM 520 CG ARG A 34 -5.664 -3.555 4.927 1.00 0.00 C ATOM 521 CD ARG A 34 -6.919 -4.298 4.424 1.00 0.00 C ATOM 522 NE ARG A 34 -7.854 -3.305 3.819 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.750 -2.696 4.556 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.822 -2.938 5.837 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.570 -1.836 4.011 1.00 0.00 N ATOM 0 H ARG A 34 -2.213 -5.201 3.851 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.323 -2.674 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.435 -5.005 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.370 -5.160 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.805 -3.263 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.528 -2.638 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.641 -5.053 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.404 -4.820 5.248 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.795 -3.098 2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.179 -3.603 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.521 -2.462 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.512 -1.639 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.267 -1.362 4.585 1.00 0.00 H new ATOM 539 N ALA A 35 -1.935 -3.837 6.907 1.00 0.00 N ATOM 540 CA ALA A 35 -1.546 -3.479 8.296 1.00 0.00 C ATOM 541 C ALA A 35 -0.587 -2.286 8.254 1.00 0.00 C ATOM 542 O ALA A 35 -0.839 -1.252 8.838 1.00 0.00 O ATOM 543 CB ALA A 35 -0.852 -4.673 8.958 1.00 0.00 C ATOM 0 H ALA A 35 -1.457 -4.652 6.524 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.434 -3.217 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.567 -4.409 9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.533 -5.523 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.039 -4.937 8.389 1.00 0.00 H new ATOM 549 N ALA A 36 0.524 -2.419 7.574 1.00 0.00 N ATOM 550 CA ALA A 36 1.489 -1.285 7.510 1.00 0.00 C ATOM 551 C ALA A 36 0.892 -0.127 6.707 1.00 0.00 C ATOM 552 O ALA A 36 1.213 1.022 6.932 1.00 0.00 O ATOM 553 CB ALA A 36 2.790 -1.751 6.856 1.00 0.00 C ATOM 0 H ALA A 36 0.801 -3.258 7.065 1.00 0.00 H new ATOM 0 HA ALA A 36 1.697 -0.941 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.493 -0.919 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.223 -2.561 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.583 -2.106 5.846 1.00 0.00 H new ATOM 559 N ALA A 37 0.024 -0.412 5.774 1.00 0.00 N ATOM 560 CA ALA A 37 -0.583 0.689 4.973 1.00 0.00 C ATOM 561 C ALA A 37 -1.280 1.658 5.926 1.00 0.00 C ATOM 562 O ALA A 37 -0.959 2.830 5.984 1.00 0.00 O ATOM 563 CB ALA A 37 -1.605 0.109 3.993 1.00 0.00 C ATOM 0 H ALA A 37 -0.289 -1.352 5.533 1.00 0.00 H new ATOM 0 HA ALA A 37 0.191 1.211 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.047 0.916 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.109 -0.594 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.388 -0.409 4.548 1.00 0.00 H new ATOM 569 N LEU A 38 -2.224 1.174 6.682 1.00 0.00 N ATOM 570 CA LEU A 38 -2.936 2.066 7.643 1.00 0.00 C ATOM 571 C LEU A 38 -1.935 2.605 8.668 1.00 0.00 C ATOM 572 O LEU A 38 -2.184 3.602 9.317 1.00 0.00 O ATOM 573 CB LEU A 38 -4.082 1.316 8.367 1.00 0.00 C ATOM 574 CG LEU A 38 -3.683 -0.144 8.734 1.00 0.00 C ATOM 575 CD1 LEU A 38 -3.181 -0.237 10.174 1.00 0.00 C ATOM 576 CD2 LEU A 38 -4.895 -1.073 8.573 1.00 0.00 C ATOM 0 H LEU A 38 -2.534 0.202 6.678 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.379 2.891 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.353 1.857 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.965 1.301 7.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.881 -0.448 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.911 -1.269 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.307 0.402 10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.967 0.089 10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.609 -2.093 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.697 -0.743 9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.241 -1.044 7.540 1.00 0.00 H new ATOM 588 N ASP A 39 -0.792 1.982 8.809 1.00 0.00 N ATOM 589 CA ASP A 39 0.211 2.507 9.780 1.00 0.00 C ATOM 590 C ASP A 39 1.017 3.608 9.088 1.00 0.00 C ATOM 591 O ASP A 39 1.343 4.620 9.676 1.00 0.00 O ATOM 592 CB ASP A 39 1.149 1.377 10.219 1.00 0.00 C ATOM 593 CG ASP A 39 1.883 1.785 11.499 1.00 0.00 C ATOM 594 OD1 ASP A 39 1.292 1.667 12.560 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.023 2.209 11.397 1.00 0.00 O ATOM 0 H ASP A 39 -0.514 1.143 8.300 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.292 2.906 10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.579 0.464 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.868 1.160 9.429 1.00 0.00 H new ATOM 600 N ALA A 40 1.334 3.415 7.834 1.00 0.00 N ATOM 601 CA ALA A 40 2.113 4.444 7.087 1.00 0.00 C ATOM 602 C ALA A 40 1.321 5.752 7.033 1.00 0.00 C ATOM 603 O ALA A 40 1.876 6.809 6.810 1.00 0.00 O ATOM 604 CB ALA A 40 2.384 3.954 5.661 1.00 0.00 C ATOM 0 H ALA A 40 1.086 2.586 7.294 1.00 0.00 H new ATOM 0 HA ALA A 40 3.061 4.614 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.953 4.709 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.955 3.026 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.437 3.778 5.151 1.00 0.00 H new ATOM 610 N GLN A 41 0.030 5.694 7.244 1.00 0.00 N ATOM 611 CA GLN A 41 -0.794 6.940 7.216 1.00 0.00 C ATOM 612 C GLN A 41 -0.079 8.005 8.037 1.00 0.00 C ATOM 613 O GLN A 41 0.250 9.072 7.558 1.00 0.00 O ATOM 614 CB GLN A 41 -2.163 6.646 7.842 1.00 0.00 C ATOM 615 CG GLN A 41 -3.065 7.894 7.773 1.00 0.00 C ATOM 616 CD GLN A 41 -2.870 8.767 9.017 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.425 8.485 10.056 1.00 0.00 O ATOM 618 NE2 GLN A 41 -2.136 9.840 8.937 1.00 0.00 N ATOM 0 H GLN A 41 -0.489 4.837 7.435 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.930 7.286 6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.639 5.816 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.037 6.338 8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.831 8.470 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.109 7.591 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.670 10.075 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.027 10.445 9.751 1.00 0.00 H new ATOM 627 N LYS A 42 0.184 7.698 9.268 1.00 0.00 N ATOM 628 CA LYS A 42 0.906 8.652 10.143 1.00 0.00 C ATOM 629 C LYS A 42 2.313 8.869 9.551 1.00 0.00 C ATOM 630 O LYS A 42 3.295 8.357 10.051 1.00 0.00 O ATOM 631 CB LYS A 42 1.015 8.080 11.581 1.00 0.00 C ATOM 632 CG LYS A 42 -0.145 7.119 11.910 1.00 0.00 C ATOM 633 CD LYS A 42 -1.498 7.862 11.924 1.00 0.00 C ATOM 634 CE LYS A 42 -1.849 8.317 13.350 1.00 0.00 C ATOM 635 NZ LYS A 42 -0.652 8.928 13.996 1.00 0.00 N ATOM 0 H LYS A 42 -0.073 6.816 9.712 1.00 0.00 H new ATOM 0 HA LYS A 42 0.368 9.598 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.964 7.554 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.020 8.901 12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.176 6.316 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.028 6.655 12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.452 8.726 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.282 7.209 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.665 9.039 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.196 7.467 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.913 9.295 14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.092 8.208 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.299 9.708 13.405 1.00 0.00 H new ATOM 649 N ALA A 43 2.424 9.609 8.482 1.00 0.00 N ATOM 650 CA ALA A 43 3.773 9.821 7.878 1.00 0.00 C ATOM 651 C ALA A 43 3.761 11.053 6.973 1.00 0.00 C ATOM 652 O ALA A 43 2.759 11.391 6.376 1.00 0.00 O ATOM 653 CB ALA A 43 4.158 8.592 7.053 1.00 0.00 C ATOM 0 H ALA A 43 1.650 10.072 8.004 1.00 0.00 H new ATOM 0 HA ALA A 43 4.498 9.975 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.143 8.744 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.182 7.714 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.424 8.441 6.261 1.00 0.00 H new ATOM 659 N THR A 44 4.880 11.717 6.865 1.00 0.00 N ATOM 660 CA THR A 44 4.964 12.931 5.999 1.00 0.00 C ATOM 661 C THR A 44 6.422 13.121 5.562 1.00 0.00 C ATOM 662 O THR A 44 7.113 13.993 6.052 1.00 0.00 O ATOM 663 CB THR A 44 4.502 14.170 6.794 1.00 0.00 C ATOM 664 OG1 THR A 44 4.888 14.022 8.152 1.00 0.00 O ATOM 665 CG2 THR A 44 2.978 14.323 6.715 1.00 0.00 C ATOM 0 H THR A 44 5.747 11.470 7.343 1.00 0.00 H new ATOM 0 HA THR A 44 4.323 12.808 5.126 1.00 0.00 H new ATOM 0 HB THR A 44 4.966 15.058 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.599 14.807 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.671 15.202 7.282 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.677 14.439 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.501 13.437 7.134 1.00 0.00 H new ATOM 673 N PRO A 45 6.885 12.309 4.650 1.00 0.00 N ATOM 674 CA PRO A 45 8.287 12.386 4.143 1.00 0.00 C ATOM 675 C PRO A 45 8.756 13.814 3.783 1.00 0.00 C ATOM 676 O PRO A 45 9.897 14.154 4.028 1.00 0.00 O ATOM 677 CB PRO A 45 8.288 11.475 2.905 1.00 0.00 C ATOM 678 CG PRO A 45 7.164 10.505 3.127 1.00 0.00 C ATOM 679 CD PRO A 45 6.126 11.213 4.013 1.00 0.00 C ATOM 0 HA PRO A 45 8.990 12.076 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.136 12.051 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.241 10.956 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.720 10.206 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.528 9.598 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.293 11.595 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.706 10.534 4.756 1.00 0.00 H new ATOM 687 N PRO A 46 7.918 14.648 3.203 1.00 0.00 N ATOM 688 CA PRO A 46 8.306 16.023 2.817 1.00 0.00 C ATOM 689 C PRO A 46 7.893 17.057 3.870 1.00 0.00 C ATOM 690 O PRO A 46 8.623 17.335 4.801 1.00 0.00 O ATOM 691 CB PRO A 46 7.529 16.223 1.510 1.00 0.00 C ATOM 692 CG PRO A 46 6.295 15.358 1.635 1.00 0.00 C ATOM 693 CD PRO A 46 6.518 14.412 2.835 1.00 0.00 C ATOM 0 HA PRO A 46 9.384 16.152 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.261 17.270 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.128 15.929 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.409 15.973 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.131 14.787 0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.842 14.643 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.345 13.371 2.563 1.00 0.00 H new ATOM 701 N LYS A 47 6.729 17.631 3.728 1.00 0.00 N ATOM 702 CA LYS A 47 6.275 18.647 4.719 1.00 0.00 C ATOM 703 C LYS A 47 4.845 19.085 4.392 1.00 0.00 C ATOM 704 O LYS A 47 4.619 19.884 3.505 1.00 0.00 O ATOM 705 CB LYS A 47 7.208 19.871 4.672 1.00 0.00 C ATOM 706 CG LYS A 47 7.694 20.106 3.235 1.00 0.00 C ATOM 707 CD LYS A 47 8.194 21.548 3.088 1.00 0.00 C ATOM 708 CE LYS A 47 8.937 21.708 1.761 1.00 0.00 C ATOM 709 NZ LYS A 47 7.965 21.632 0.634 1.00 0.00 N ATOM 0 H LYS A 47 6.074 17.440 2.970 1.00 0.00 H new ATOM 0 HA LYS A 47 6.301 18.209 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.682 20.754 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.061 19.714 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.494 19.407 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.883 19.919 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.353 22.240 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.855 21.799 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.462 22.663 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.691 20.928 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.457 21.825 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.545 20.681 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.214 22.337 0.775 1.00 0.00 H new ATOM 723 N LEU A 48 3.877 18.590 5.116 1.00 0.00 N ATOM 724 CA LEU A 48 2.473 19.008 4.855 1.00 0.00 C ATOM 725 C LEU A 48 2.254 20.355 5.555 1.00 0.00 C ATOM 726 O LEU A 48 3.169 20.918 6.123 1.00 0.00 O ATOM 727 CB LEU A 48 1.504 17.929 5.408 1.00 0.00 C ATOM 728 CG LEU A 48 0.618 17.360 4.289 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.056 16.077 4.777 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.457 18.385 3.917 1.00 0.00 C ATOM 0 H LEU A 48 3.999 17.917 5.873 1.00 0.00 H new ATOM 0 HA LEU A 48 2.282 19.114 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.076 17.124 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.878 18.363 6.188 1.00 0.00 H new ATOM 0 HG LEU A 48 1.233 17.142 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.685 15.672 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.706 15.345 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.670 16.298 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.085 17.981 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.071 18.602 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.019 19.303 3.572 1.00 0.00 H new ATOM 742 N GLU A 49 1.069 20.893 5.506 1.00 0.00 N ATOM 743 CA GLU A 49 0.837 22.213 6.156 1.00 0.00 C ATOM 744 C GLU A 49 1.897 23.191 5.648 1.00 0.00 C ATOM 745 O GLU A 49 2.204 24.185 6.277 1.00 0.00 O ATOM 746 CB GLU A 49 0.945 22.076 7.679 1.00 0.00 C ATOM 747 CG GLU A 49 0.248 20.793 8.132 1.00 0.00 C ATOM 748 CD GLU A 49 0.066 20.818 9.651 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.563 21.743 10.271 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.564 19.911 10.167 1.00 0.00 O ATOM 0 H GLU A 49 0.256 20.481 5.048 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.161 22.578 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.993 22.057 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.490 22.939 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.721 20.700 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.838 19.924 7.840 1.00 0.00 H new ATOM 757 N ASP A 50 2.457 22.902 4.506 1.00 0.00 N ATOM 758 CA ASP A 50 3.508 23.790 3.923 1.00 0.00 C ATOM 759 C ASP A 50 3.374 23.779 2.403 1.00 0.00 C ATOM 760 O ASP A 50 3.202 24.808 1.780 1.00 0.00 O ATOM 761 CB ASP A 50 4.898 23.282 4.329 1.00 0.00 C ATOM 762 CG ASP A 50 5.186 23.683 5.778 1.00 0.00 C ATOM 763 OD1 ASP A 50 4.905 24.819 6.124 1.00 0.00 O ATOM 764 OD2 ASP A 50 5.680 22.847 6.517 1.00 0.00 O ATOM 0 H ASP A 50 2.231 22.081 3.945 1.00 0.00 H new ATOM 0 HA ASP A 50 3.383 24.807 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.945 22.198 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.657 23.700 3.667 1.00 0.00 H new ATOM 769 N LYS A 51 3.439 22.629 1.800 1.00 0.00 N ATOM 770 CA LYS A 51 3.299 22.568 0.324 1.00 0.00 C ATOM 771 C LYS A 51 1.862 22.943 -0.051 1.00 0.00 C ATOM 772 O LYS A 51 1.131 23.493 0.749 1.00 0.00 O ATOM 773 CB LYS A 51 3.656 21.151 -0.160 1.00 0.00 C ATOM 774 CG LYS A 51 2.545 20.143 0.184 1.00 0.00 C ATOM 775 CD LYS A 51 2.825 18.814 -0.526 1.00 0.00 C ATOM 776 CE LYS A 51 4.068 18.147 0.068 1.00 0.00 C ATOM 777 NZ LYS A 51 4.081 16.707 -0.316 1.00 0.00 N ATOM 0 H LYS A 51 3.582 21.732 2.264 1.00 0.00 H new ATOM 0 HA LYS A 51 3.977 23.272 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.817 21.163 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.592 20.833 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.499 19.989 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.575 20.535 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.965 18.152 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.971 18.987 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.969 18.641 -0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.065 18.246 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.057 16.410 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.700 16.136 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.495 16.568 -1.164 1.00 0.00 H new ATOM 791 N SER A 52 1.442 22.644 -1.251 1.00 0.00 N ATOM 792 CA SER A 52 0.049 22.977 -1.648 1.00 0.00 C ATOM 793 C SER A 52 -0.913 21.955 -1.006 1.00 0.00 C ATOM 794 O SER A 52 -0.832 20.778 -1.296 1.00 0.00 O ATOM 795 CB SER A 52 -0.074 22.899 -3.171 1.00 0.00 C ATOM 796 OG SER A 52 -1.278 23.535 -3.578 1.00 0.00 O ATOM 0 H SER A 52 2.003 22.185 -1.969 1.00 0.00 H new ATOM 0 HA SER A 52 -0.202 23.983 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.783 23.381 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.072 21.858 -3.495 1.00 0.00 H new ATOM 0 HG SER A 52 -1.359 23.488 -4.554 1.00 0.00 H new ATOM 802 N PRO A 53 -1.815 22.376 -0.141 1.00 0.00 N ATOM 803 CA PRO A 53 -2.777 21.446 0.528 1.00 0.00 C ATOM 804 C PRO A 53 -3.989 21.163 -0.357 1.00 0.00 C ATOM 805 O PRO A 53 -4.809 20.318 -0.058 1.00 0.00 O ATOM 806 CB PRO A 53 -3.201 22.241 1.757 1.00 0.00 C ATOM 807 CG PRO A 53 -3.241 23.642 1.256 1.00 0.00 C ATOM 808 CD PRO A 53 -2.044 23.769 0.308 1.00 0.00 C ATOM 0 HA PRO A 53 -2.341 20.472 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.173 21.918 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.491 22.126 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.177 23.847 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.169 24.355 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.263 24.431 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.170 24.177 0.816 1.00 0.00 H new ATOM 816 N ASP A 54 -4.109 21.898 -1.429 1.00 0.00 N ATOM 817 CA ASP A 54 -5.259 21.740 -2.364 1.00 0.00 C ATOM 818 C ASP A 54 -6.585 22.080 -1.655 1.00 0.00 C ATOM 819 O ASP A 54 -7.529 22.470 -2.308 1.00 0.00 O ATOM 820 CB ASP A 54 -5.279 20.318 -2.959 1.00 0.00 C ATOM 821 CG ASP A 54 -6.616 20.063 -3.663 1.00 0.00 C ATOM 822 OD1 ASP A 54 -7.148 21.000 -4.237 1.00 0.00 O ATOM 823 OD2 ASP A 54 -7.082 18.937 -3.618 1.00 0.00 O ATOM 0 H ASP A 54 -3.441 22.619 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.139 22.442 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.458 20.199 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.128 19.582 -2.169 1.00 0.00 H new ATOM 828 N SER A 55 -6.640 21.967 -0.333 1.00 0.00 N ATOM 829 CA SER A 55 -7.876 22.321 0.477 1.00 0.00 C ATOM 830 C SER A 55 -8.727 21.118 0.959 1.00 0.00 C ATOM 831 O SER A 55 -9.399 21.268 1.952 1.00 0.00 O ATOM 832 CB SER A 55 -8.787 23.303 -0.270 1.00 0.00 C ATOM 833 OG SER A 55 -9.631 23.953 0.671 1.00 0.00 O ATOM 0 H SER A 55 -5.859 21.635 0.233 1.00 0.00 H new ATOM 0 HA SER A 55 -7.461 22.786 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.188 24.037 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.386 22.773 -1.011 1.00 0.00 H new ATOM 0 HG SER A 55 -9.863 23.328 1.389 1.00 0.00 H new ATOM 839 N PRO A 56 -8.736 19.963 0.308 1.00 0.00 N ATOM 840 CA PRO A 56 -9.545 18.773 0.769 1.00 0.00 C ATOM 841 C PRO A 56 -9.440 18.460 2.271 1.00 0.00 C ATOM 842 O PRO A 56 -9.423 17.309 2.654 1.00 0.00 O ATOM 843 CB PRO A 56 -8.937 17.612 -0.023 1.00 0.00 C ATOM 844 CG PRO A 56 -8.488 18.229 -1.299 1.00 0.00 C ATOM 845 CD PRO A 56 -8.024 19.650 -0.943 1.00 0.00 C ATOM 0 HA PRO A 56 -10.607 18.958 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.104 17.158 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.670 16.824 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.677 17.654 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.299 18.254 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.943 19.693 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.275 20.360 -1.732 1.00 0.00 H new ATOM 853 N GLU A 57 -9.362 19.443 3.127 1.00 0.00 N ATOM 854 CA GLU A 57 -9.241 19.144 4.580 1.00 0.00 C ATOM 855 C GLU A 57 -8.107 18.138 4.740 1.00 0.00 C ATOM 856 O GLU A 57 -8.052 17.376 5.683 1.00 0.00 O ATOM 857 CB GLU A 57 -10.558 18.545 5.092 1.00 0.00 C ATOM 858 CG GLU A 57 -10.624 18.659 6.618 1.00 0.00 C ATOM 859 CD GLU A 57 -11.929 18.037 7.117 1.00 0.00 C ATOM 860 OE1 GLU A 57 -12.940 18.720 7.080 1.00 0.00 O ATOM 861 OE2 GLU A 57 -11.897 16.888 7.526 1.00 0.00 O ATOM 0 H GLU A 57 -9.377 20.433 2.884 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.033 20.048 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.403 19.066 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.633 17.499 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.771 18.152 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.569 19.705 6.918 1.00 0.00 H new ATOM 868 N MET A 58 -7.221 18.118 3.780 1.00 0.00 N ATOM 869 CA MET A 58 -6.099 17.160 3.807 1.00 0.00 C ATOM 870 C MET A 58 -6.674 15.752 3.655 1.00 0.00 C ATOM 871 O MET A 58 -5.957 14.780 3.553 1.00 0.00 O ATOM 872 CB MET A 58 -5.328 17.296 5.124 1.00 0.00 C ATOM 873 CG MET A 58 -5.234 18.780 5.560 1.00 0.00 C ATOM 874 SD MET A 58 -6.392 19.106 6.917 1.00 0.00 S ATOM 875 CE MET A 58 -5.774 20.751 7.355 1.00 0.00 C ATOM 0 H MET A 58 -7.235 18.738 2.970 1.00 0.00 H new ATOM 0 HA MET A 58 -5.403 17.361 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.824 16.715 5.902 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.326 16.883 5.008 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.217 19.010 5.877 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.460 19.430 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.356 21.149 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.726 20.680 7.647 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.868 21.415 6.496 1.00 0.00 H new ATOM 885 N LYS A 59 -7.975 15.657 3.616 1.00 0.00 N ATOM 886 CA LYS A 59 -8.649 14.341 3.460 1.00 0.00 C ATOM 887 C LYS A 59 -8.082 13.624 2.244 1.00 0.00 C ATOM 888 O LYS A 59 -7.830 12.438 2.258 1.00 0.00 O ATOM 889 CB LYS A 59 -10.135 14.594 3.212 1.00 0.00 C ATOM 890 CG LYS A 59 -10.947 13.268 3.261 1.00 0.00 C ATOM 891 CD LYS A 59 -11.294 12.794 1.842 1.00 0.00 C ATOM 892 CE LYS A 59 -11.900 11.389 1.909 1.00 0.00 C ATOM 893 NZ LYS A 59 -12.740 11.267 3.134 1.00 0.00 N ATOM 0 H LYS A 59 -8.609 16.453 3.687 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.496 13.736 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.519 15.286 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.268 15.070 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.369 12.500 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.862 13.416 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.999 13.484 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.399 12.787 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.503 11.199 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.108 10.640 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.358 10.435 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.126 11.159 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.323 12.122 3.242 1.00 0.00 H new ATOM 907 N ASP A 60 -7.888 14.341 1.185 1.00 0.00 N ATOM 908 CA ASP A 60 -7.348 13.716 -0.040 1.00 0.00 C ATOM 909 C ASP A 60 -6.026 13.022 0.310 1.00 0.00 C ATOM 910 O ASP A 60 -5.553 12.158 -0.402 1.00 0.00 O ATOM 911 CB ASP A 60 -7.144 14.817 -1.080 1.00 0.00 C ATOM 912 CG ASP A 60 -6.296 14.292 -2.242 1.00 0.00 C ATOM 913 OD1 ASP A 60 -6.499 13.154 -2.632 1.00 0.00 O ATOM 914 OD2 ASP A 60 -5.457 15.037 -2.721 1.00 0.00 O ATOM 0 H ASP A 60 -8.081 15.340 1.114 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.029 12.969 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.109 15.161 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.654 15.676 -0.621 1.00 0.00 H new ATOM 919 N PHE A 61 -5.448 13.385 1.423 1.00 0.00 N ATOM 920 CA PHE A 61 -4.174 12.749 1.867 1.00 0.00 C ATOM 921 C PHE A 61 -4.466 11.348 2.409 1.00 0.00 C ATOM 922 O PHE A 61 -4.026 10.344 1.877 1.00 0.00 O ATOM 923 CB PHE A 61 -3.555 13.597 2.985 1.00 0.00 C ATOM 924 CG PHE A 61 -2.103 13.229 3.167 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.146 13.763 2.307 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.715 12.362 4.196 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.208 13.438 2.470 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.363 12.032 4.361 1.00 0.00 C ATOM 929 CZ PHE A 61 0.598 12.570 3.497 1.00 0.00 C ATOM 0 H PHE A 61 -5.808 14.104 2.051 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.486 12.681 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.643 14.656 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.099 13.439 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.448 14.429 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.457 11.948 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.949 13.856 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.063 11.363 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.640 12.316 3.623 1.00 0.00 H new ATOM 939 N ARG A 62 -5.212 11.284 3.478 1.00 0.00 N ATOM 940 CA ARG A 62 -5.546 9.965 4.086 1.00 0.00 C ATOM 941 C ARG A 62 -6.363 9.148 3.081 1.00 0.00 C ATOM 942 O ARG A 62 -6.274 7.945 3.039 1.00 0.00 O ATOM 943 CB ARG A 62 -6.340 10.166 5.399 1.00 0.00 C ATOM 944 CG ARG A 62 -7.046 11.534 5.405 1.00 0.00 C ATOM 945 CD ARG A 62 -6.183 12.648 6.063 1.00 0.00 C ATOM 946 NE ARG A 62 -4.742 12.227 6.209 1.00 0.00 N ATOM 947 CZ ARG A 62 -4.023 12.644 7.226 1.00 0.00 C ATOM 948 NH1 ARG A 62 -4.531 13.457 8.115 1.00 0.00 N ATOM 949 NH2 ARG A 62 -2.786 12.246 7.349 1.00 0.00 N ATOM 0 H ARG A 62 -5.606 12.093 3.959 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.629 9.428 4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.077 9.371 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.665 10.096 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.284 11.821 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.992 11.448 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.238 13.554 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.591 12.893 7.044 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.322 11.613 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.496 13.775 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.962 13.774 8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.382 11.614 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.223 12.567 8.137 1.00 0.00 H new ATOM 963 N HIS A 63 -7.147 9.795 2.268 1.00 0.00 N ATOM 964 CA HIS A 63 -7.957 9.044 1.261 1.00 0.00 C ATOM 965 C HIS A 63 -7.014 8.182 0.441 1.00 0.00 C ATOM 966 O HIS A 63 -7.313 7.057 0.123 1.00 0.00 O ATOM 967 CB HIS A 63 -8.700 10.038 0.343 1.00 0.00 C ATOM 968 CG HIS A 63 -9.952 9.395 -0.183 1.00 0.00 C ATOM 969 ND1 HIS A 63 -10.751 8.604 0.620 1.00 0.00 N ATOM 970 CD2 HIS A 63 -10.550 9.404 -1.418 1.00 0.00 C ATOM 971 CE1 HIS A 63 -11.774 8.171 -0.126 1.00 0.00 C ATOM 972 NE2 HIS A 63 -11.705 8.629 -1.380 1.00 0.00 N ATOM 0 H HIS A 63 -7.265 10.808 2.254 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.696 8.417 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.948 10.944 0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.056 10.336 -0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.181 9.931 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.561 7.529 0.241 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.357 8.449 -2.143 1.00 0.00 H new ATOM 980 N GLY A 64 -5.864 8.675 0.116 1.00 0.00 N ATOM 981 CA GLY A 64 -4.934 7.834 -0.664 1.00 0.00 C ATOM 982 C GLY A 64 -4.518 6.650 0.208 1.00 0.00 C ATOM 983 O GLY A 64 -4.345 5.547 -0.271 1.00 0.00 O ATOM 0 H GLY A 64 -5.530 9.610 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.413 7.483 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.059 8.411 -0.964 1.00 0.00 H new ATOM 987 N PHE A 65 -4.390 6.861 1.494 1.00 0.00 N ATOM 988 CA PHE A 65 -4.025 5.728 2.397 1.00 0.00 C ATOM 989 C PHE A 65 -5.296 4.951 2.739 1.00 0.00 C ATOM 990 O PHE A 65 -5.281 3.746 2.889 1.00 0.00 O ATOM 991 CB PHE A 65 -3.367 6.263 3.667 1.00 0.00 C ATOM 992 CG PHE A 65 -1.992 6.778 3.312 1.00 0.00 C ATOM 993 CD1 PHE A 65 -0.967 5.881 2.990 1.00 0.00 C ATOM 994 CD2 PHE A 65 -1.748 8.152 3.291 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.302 6.364 2.647 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.483 8.634 2.948 1.00 0.00 C ATOM 997 CZ PHE A 65 0.542 7.743 2.626 1.00 0.00 C ATOM 0 H PHE A 65 -4.521 7.762 1.955 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.315 5.067 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.971 7.061 4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.295 5.476 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.154 4.818 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.539 8.844 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.094 5.673 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.298 9.698 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.520 8.117 2.361 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.409 5.626 2.829 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.680 4.915 3.113 1.00 0.00 C ATOM 1009 C ASP A 66 -8.043 4.151 1.839 1.00 0.00 C ATOM 1010 O ASP A 66 -8.409 2.994 1.858 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.787 5.926 3.458 1.00 0.00 C ATOM 1012 CG ASP A 66 -9.876 5.243 4.293 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -9.982 4.030 4.214 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.584 5.945 4.996 1.00 0.00 O ATOM 0 H ASP A 66 -6.490 6.637 2.718 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.574 4.240 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.365 6.765 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.219 6.332 2.543 1.00 0.00 H new ATOM 1019 N ILE A 67 -7.925 4.804 0.720 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.236 4.128 -0.564 1.00 0.00 C ATOM 1021 C ILE A 67 -7.259 2.966 -0.768 1.00 0.00 C ATOM 1022 O ILE A 67 -7.611 1.929 -1.292 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.099 5.130 -1.725 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.200 6.216 -1.623 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.210 4.388 -3.064 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.518 5.732 -2.256 1.00 0.00 C ATOM 0 H ILE A 67 -7.627 5.776 0.640 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.258 3.749 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.124 5.615 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.368 6.471 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.866 7.125 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.113 5.100 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.417 3.643 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.179 3.893 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.272 6.514 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.353 5.502 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.863 4.837 -1.738 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.034 3.137 -0.353 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.024 2.050 -0.516 1.00 0.00 C ATOM 1040 C LEU A 68 -5.565 0.776 0.109 1.00 0.00 C ATOM 1041 O LEU A 68 -5.729 -0.241 -0.535 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.748 2.444 0.235 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.758 1.267 0.315 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.627 0.568 -1.042 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.387 1.797 0.750 1.00 0.00 C ATOM 0 H LEU A 68 -5.687 3.986 0.094 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.815 1.897 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.274 3.287 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.004 2.776 1.241 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.131 0.543 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.922 -0.259 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.600 0.186 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.265 1.279 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.679 0.970 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.032 2.527 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.474 2.271 1.728 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.811 0.831 1.378 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.309 -0.360 2.097 1.00 0.00 C ATOM 1059 C VAL A 69 -7.616 -0.857 1.473 1.00 0.00 C ATOM 1060 O VAL A 69 -8.074 -1.945 1.760 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.541 -0.011 3.565 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -5.209 0.323 4.236 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -7.488 1.180 3.704 1.00 0.00 C ATOM 0 H VAL A 69 -5.687 1.662 1.956 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.564 -1.152 2.022 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.995 -0.875 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.381 0.571 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.543 -0.538 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.751 1.174 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.635 1.406 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.058 2.047 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.448 0.937 3.248 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.228 -0.070 0.636 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.516 -0.503 0.016 1.00 0.00 C ATOM 1075 C GLY A 70 -9.274 -1.496 -1.128 1.00 0.00 C ATOM 1076 O GLY A 70 -9.822 -2.577 -1.133 1.00 0.00 O ATOM 0 H GLY A 70 -7.896 0.852 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.150 -0.964 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.052 0.368 -0.362 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.472 -1.158 -2.104 1.00 0.00 N ATOM 1081 CA GLN A 71 -8.249 -2.129 -3.209 1.00 0.00 C ATOM 1082 C GLN A 71 -7.495 -3.323 -2.638 1.00 0.00 C ATOM 1083 O GLN A 71 -7.656 -4.443 -3.078 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.493 -1.449 -4.371 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.980 -1.424 -4.130 1.00 0.00 C ATOM 1086 CD GLN A 71 -5.376 -2.806 -4.389 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -4.227 -3.031 -4.090 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -6.112 -3.752 -4.914 1.00 0.00 N ATOM 0 H GLN A 71 -7.973 -0.272 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.195 -2.479 -3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.704 -1.978 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.858 -0.429 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.513 -0.688 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.774 -1.116 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.082 -3.563 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.716 -4.679 -5.071 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.709 -3.100 -1.625 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.992 -4.233 -0.990 1.00 0.00 C ATOM 1099 C ILE A 72 -7.026 -5.076 -0.235 1.00 0.00 C ATOM 1100 O ILE A 72 -6.886 -6.277 -0.108 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.916 -3.693 -0.024 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.656 -3.333 -0.816 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.554 -4.752 1.030 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.683 -2.571 0.082 1.00 0.00 C ATOM 0 H ILE A 72 -6.533 -2.184 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.491 -4.845 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.313 -2.811 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.182 -4.238 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.920 -2.725 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.794 -4.352 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.443 -5.014 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.168 -5.642 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.788 -2.317 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.158 -1.657 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.409 -3.195 0.933 1.00 0.00 H new ATOM 1116 N ASP A 73 -8.065 -4.457 0.273 1.00 0.00 N ATOM 1117 CA ASP A 73 -9.090 -5.246 1.020 1.00 0.00 C ATOM 1118 C ASP A 73 -9.658 -6.335 0.105 1.00 0.00 C ATOM 1119 O ASP A 73 -9.688 -7.502 0.449 1.00 0.00 O ATOM 1120 CB ASP A 73 -10.224 -4.330 1.492 1.00 0.00 C ATOM 1121 CG ASP A 73 -11.292 -5.167 2.199 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -11.176 -5.348 3.400 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -12.208 -5.611 1.528 1.00 0.00 O ATOM 0 H ASP A 73 -8.245 -3.455 0.204 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.621 -5.704 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.834 -3.570 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.661 -3.806 0.642 1.00 0.00 H new ATOM 1128 N ASP A 74 -10.107 -5.959 -1.061 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.674 -6.964 -2.003 1.00 0.00 C ATOM 1130 C ASP A 74 -9.578 -7.943 -2.424 1.00 0.00 C ATOM 1131 O ASP A 74 -9.836 -9.099 -2.670 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.217 -6.244 -3.239 1.00 0.00 C ATOM 1133 CG ASP A 74 -12.226 -5.177 -2.805 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -11.799 -4.074 -2.505 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -13.406 -5.481 -2.781 1.00 0.00 O ATOM 0 H ASP A 74 -10.105 -4.998 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.480 -7.512 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.399 -5.783 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.693 -6.959 -3.910 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.355 -7.503 -2.505 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.272 -8.438 -2.898 1.00 0.00 C ATOM 1142 C ALA A 75 -6.997 -9.375 -1.727 1.00 0.00 C ATOM 1143 O ALA A 75 -6.633 -10.519 -1.908 1.00 0.00 O ATOM 1144 CB ALA A 75 -6.006 -7.658 -3.255 1.00 0.00 C ATOM 0 H ALA A 75 -8.062 -6.544 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.576 -9.013 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.218 -8.355 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.216 -6.985 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.681 -7.078 -2.392 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.201 -8.911 -0.521 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.987 -9.787 0.646 1.00 0.00 C ATOM 1152 C LEU A 76 -7.867 -11.020 0.426 1.00 0.00 C ATOM 1153 O LEU A 76 -7.531 -12.130 0.787 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.426 -9.012 1.918 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.423 -9.227 3.085 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.375 -8.092 3.113 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.179 -9.252 4.425 1.00 0.00 C ATOM 0 H LEU A 76 -7.506 -7.962 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.946 -10.086 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.500 -7.949 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.419 -9.343 2.223 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.914 -10.178 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.680 -8.258 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.826 -8.081 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.879 -7.135 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.471 -9.403 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.699 -8.305 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.904 -10.066 4.419 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.996 -10.800 -0.190 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.940 -11.892 -0.486 1.00 0.00 C ATOM 1171 C LYS A 77 -9.354 -12.829 -1.543 1.00 0.00 C ATOM 1172 O LYS A 77 -9.404 -14.035 -1.415 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.222 -11.270 -1.039 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.336 -12.315 -1.024 1.00 0.00 C ATOM 1175 CD LYS A 77 -12.992 -12.376 0.377 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.397 -13.820 0.706 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.328 -13.825 1.870 1.00 0.00 N ATOM 0 H LYS A 77 -9.303 -9.880 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.137 -12.462 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.509 -10.407 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.057 -10.912 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.087 -12.068 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.932 -13.292 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.296 -12.004 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.868 -11.728 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.877 -14.280 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.512 -14.414 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.601 -14.804 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.855 -13.402 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.178 -13.272 1.637 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.817 -12.279 -2.595 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.252 -13.137 -3.668 1.00 0.00 C ATOM 1193 C LEU A 78 -7.176 -14.027 -3.053 1.00 0.00 C ATOM 1194 O LEU A 78 -7.000 -15.168 -3.436 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.668 -12.234 -4.777 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.723 -12.029 -5.875 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.969 -11.368 -5.270 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.147 -11.136 -6.985 1.00 0.00 C ATOM 0 H LEU A 78 -8.746 -11.274 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.020 -13.769 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.370 -11.272 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.772 -12.690 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.997 -12.995 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.718 -11.222 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.378 -12.009 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.698 -10.403 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.897 -10.992 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.869 -10.169 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.266 -11.612 -7.415 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.482 -13.528 -2.077 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.448 -14.352 -1.407 1.00 0.00 C ATOM 1212 C ALA A 79 -6.129 -15.536 -0.718 1.00 0.00 C ATOM 1213 O ALA A 79 -5.724 -16.673 -0.858 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.732 -13.500 -0.355 1.00 0.00 C ATOM 0 H ALA A 79 -6.586 -12.581 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.726 -14.714 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.970 -14.100 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.262 -12.644 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.454 -13.149 0.382 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.151 -15.263 0.049 1.00 0.00 N ATOM 1221 CA ASN A 80 -7.859 -16.350 0.783 1.00 0.00 C ATOM 1222 C ASN A 80 -8.731 -17.193 -0.164 1.00 0.00 C ATOM 1223 O ASN A 80 -9.196 -18.253 0.206 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.728 -15.729 1.893 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.789 -16.695 3.073 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -9.847 -17.149 3.460 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.675 -17.025 3.662 1.00 0.00 N ATOM 0 H ASN A 80 -7.527 -14.327 0.199 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.114 -17.014 1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.309 -14.774 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.732 -15.528 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.688 -17.668 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.790 -16.640 3.332 1.00 0.00 H new ATOM 1234 N GLU A 81 -8.977 -16.741 -1.369 1.00 0.00 N ATOM 1235 CA GLU A 81 -9.842 -17.538 -2.299 1.00 0.00 C ATOM 1236 C GLU A 81 -8.976 -18.448 -3.174 1.00 0.00 C ATOM 1237 O GLU A 81 -9.476 -19.322 -3.854 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.646 -16.585 -3.191 1.00 0.00 C ATOM 1239 CG GLU A 81 -11.844 -16.040 -2.411 1.00 0.00 C ATOM 1240 CD GLU A 81 -12.623 -15.054 -3.285 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -12.050 -14.561 -4.243 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.778 -14.811 -2.981 1.00 0.00 O ATOM 0 H GLU A 81 -8.621 -15.863 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.523 -18.154 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.013 -15.763 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.988 -17.108 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.493 -16.860 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.503 -15.545 -1.502 1.00 0.00 H new ATOM 1249 N GLY A 82 -7.683 -18.265 -3.155 1.00 0.00 N ATOM 1250 CA GLY A 82 -6.791 -19.139 -3.978 1.00 0.00 C ATOM 1251 C GLY A 82 -6.477 -18.466 -5.315 1.00 0.00 C ATOM 1252 O GLY A 82 -5.997 -19.097 -6.236 1.00 0.00 O ATOM 0 H GLY A 82 -7.205 -17.550 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.866 -19.338 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.273 -20.101 -4.152 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.726 -17.186 -5.427 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.422 -16.468 -6.705 1.00 0.00 C ATOM 1258 C LYS A 83 -5.051 -15.797 -6.566 1.00 0.00 C ATOM 1259 O LYS A 83 -4.937 -14.603 -6.370 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.499 -15.415 -7.007 1.00 0.00 C ATOM 1261 CG LYS A 83 -8.875 -15.920 -6.592 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.165 -17.257 -7.289 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.636 -17.668 -7.092 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.080 -18.479 -8.262 1.00 0.00 N ATOM 0 H LYS A 83 -7.127 -16.606 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.411 -17.179 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.270 -14.491 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.498 -15.181 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.916 -16.046 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.637 -15.187 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.946 -17.173 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.510 -18.031 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.745 -18.244 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.263 -16.782 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.073 -18.759 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.989 -17.914 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.488 -19.330 -8.339 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.017 -16.578 -6.650 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.630 -16.042 -6.512 1.00 0.00 C ATOM 1280 C VAL A 84 -2.256 -15.267 -7.762 1.00 0.00 C ATOM 1281 O VAL A 84 -1.971 -14.092 -7.696 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.650 -17.205 -6.299 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.260 -16.651 -5.969 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.150 -18.083 -5.143 1.00 0.00 C ATOM 0 H VAL A 84 -4.070 -17.584 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.581 -15.373 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.588 -17.804 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.435 -17.477 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.089 -16.030 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.314 -16.051 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.457 -18.910 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.212 -17.486 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.137 -18.477 -5.386 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.271 -15.896 -8.905 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.923 -15.163 -10.154 1.00 0.00 C ATOM 1296 C LYS A 85 -2.713 -13.850 -10.184 1.00 0.00 C ATOM 1297 O LYS A 85 -2.223 -12.825 -10.615 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.286 -16.021 -11.380 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.360 -17.266 -11.475 1.00 0.00 C ATOM 1300 CD LYS A 85 -2.056 -18.504 -10.878 1.00 0.00 C ATOM 1301 CE LYS A 85 -1.035 -19.622 -10.638 1.00 0.00 C ATOM 1302 NZ LYS A 85 -0.655 -20.239 -11.940 1.00 0.00 N ATOM 0 H LYS A 85 -2.508 -16.881 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.854 -14.954 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.326 -16.340 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.195 -15.424 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.100 -17.455 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.428 -17.074 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.543 -18.239 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.836 -18.853 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.151 -19.221 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.457 -20.378 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.038 -20.997 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.501 -20.636 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.236 -19.515 -12.558 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.924 -13.874 -9.697 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.747 -12.638 -9.655 1.00 0.00 C ATOM 1318 C GLU A 86 -4.180 -11.714 -8.586 1.00 0.00 C ATOM 1319 O GLU A 86 -3.981 -10.536 -8.808 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.195 -12.976 -9.296 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.768 -13.987 -10.304 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.052 -15.339 -10.191 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -5.487 -15.607 -9.144 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -6.082 -16.082 -11.157 1.00 0.00 O ATOM 0 H GLU A 86 -4.380 -14.707 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.725 -12.158 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.241 -13.390 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.799 -12.069 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.835 -14.120 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.661 -13.598 -11.316 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.919 -12.242 -7.416 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.368 -11.380 -6.336 1.00 0.00 C ATOM 1333 C ALA A 87 -2.003 -10.869 -6.784 1.00 0.00 C ATOM 1334 O ALA A 87 -1.667 -9.711 -6.634 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.219 -12.195 -5.048 1.00 0.00 C ATOM 0 H ALA A 87 -4.063 -13.221 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.039 -10.543 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.815 -11.559 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.194 -12.576 -4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.542 -13.031 -5.223 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.233 -11.739 -7.359 1.00 0.00 N ATOM 1342 CA GLN A 88 0.108 -11.372 -7.870 1.00 0.00 C ATOM 1343 C GLN A 88 -0.071 -10.288 -8.944 1.00 0.00 C ATOM 1344 O GLN A 88 0.406 -9.179 -8.810 1.00 0.00 O ATOM 1345 CB GLN A 88 0.728 -12.671 -8.434 1.00 0.00 C ATOM 1346 CG GLN A 88 1.556 -12.424 -9.695 1.00 0.00 C ATOM 1347 CD GLN A 88 2.548 -13.579 -9.881 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.621 -13.395 -10.422 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.226 -14.775 -9.448 1.00 0.00 N ATOM 0 H GLN A 88 -1.485 -12.717 -7.500 1.00 0.00 H new ATOM 0 HA GLN A 88 0.769 -10.965 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.359 -13.129 -7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.067 -13.382 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.903 -12.346 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.092 -11.478 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.325 -14.928 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.876 -15.552 -9.565 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.763 -10.600 -10.001 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.980 -9.589 -11.077 1.00 0.00 C ATOM 1360 C ALA A 89 -1.462 -8.280 -10.444 1.00 0.00 C ATOM 1361 O ALA A 89 -1.069 -7.200 -10.848 1.00 0.00 O ATOM 1362 CB ALA A 89 -2.039 -10.104 -12.056 1.00 0.00 C ATOM 0 H ALA A 89 -1.189 -11.511 -10.169 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.047 -9.416 -11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.198 -9.366 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.699 -11.040 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.975 -10.274 -11.524 1.00 0.00 H new ATOM 1368 N ALA A 90 -2.280 -8.359 -9.430 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.738 -7.109 -8.765 1.00 0.00 C ATOM 1370 C ALA A 90 -1.503 -6.437 -8.175 1.00 0.00 C ATOM 1371 O ALA A 90 -1.367 -5.236 -8.188 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.728 -7.446 -7.648 1.00 0.00 C ATOM 0 H ALA A 90 -2.647 -9.226 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.238 -6.451 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.059 -6.526 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.589 -7.965 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.242 -8.087 -6.912 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.583 -7.222 -7.680 1.00 0.00 N ATOM 1379 CA ALA A 91 0.672 -6.650 -7.105 1.00 0.00 C ATOM 1380 C ALA A 91 1.213 -5.589 -8.069 1.00 0.00 C ATOM 1381 O ALA A 91 1.548 -4.491 -7.670 1.00 0.00 O ATOM 1382 CB ALA A 91 1.711 -7.764 -6.926 1.00 0.00 C ATOM 0 H ALA A 91 -0.646 -8.240 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 91 0.466 -6.199 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.625 -7.345 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.317 -8.524 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.930 -8.216 -7.893 1.00 0.00 H new ATOM 1388 N GLU A 92 1.275 -5.895 -9.339 1.00 0.00 N ATOM 1389 CA GLU A 92 1.764 -4.885 -10.314 1.00 0.00 C ATOM 1390 C GLU A 92 0.804 -3.693 -10.299 1.00 0.00 C ATOM 1391 O GLU A 92 1.191 -2.570 -10.557 1.00 0.00 O ATOM 1392 CB GLU A 92 1.821 -5.496 -11.721 1.00 0.00 C ATOM 1393 CG GLU A 92 2.881 -6.617 -11.771 1.00 0.00 C ATOM 1394 CD GLU A 92 2.251 -7.964 -11.408 1.00 0.00 C ATOM 1395 OE1 GLU A 92 1.950 -8.158 -10.243 1.00 0.00 O ATOM 1396 OE2 GLU A 92 2.089 -8.779 -12.301 1.00 0.00 O ATOM 0 H GLU A 92 1.009 -6.795 -9.738 1.00 0.00 H new ATOM 0 HA GLU A 92 2.767 -4.559 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.844 -5.897 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.062 -4.724 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.317 -6.669 -12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.693 -6.390 -11.080 1.00 0.00 H new ATOM 1403 N GLN A 93 -0.440 -3.920 -9.957 1.00 0.00 N ATOM 1404 CA GLN A 93 -1.401 -2.793 -9.881 1.00 0.00 C ATOM 1405 C GLN A 93 -1.032 -2.000 -8.640 1.00 0.00 C ATOM 1406 O GLN A 93 -1.024 -0.784 -8.633 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.838 -3.344 -9.740 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.901 -2.262 -10.070 1.00 0.00 C ATOM 1409 CD GLN A 93 -4.458 -1.619 -8.783 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -5.649 -1.408 -8.670 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -3.649 -1.297 -7.806 1.00 0.00 N ATOM 0 H GLN A 93 -0.825 -4.837 -9.729 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.360 -2.173 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.968 -4.197 -10.406 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.991 -3.707 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.457 -1.493 -10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.716 -2.710 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.648 -1.471 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.020 -0.872 -6.956 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.712 -2.695 -7.583 1.00 0.00 N ATOM 1421 CA LEU A 94 -0.327 -2.006 -6.330 1.00 0.00 C ATOM 1422 C LEU A 94 0.952 -1.219 -6.608 1.00 0.00 C ATOM 1423 O LEU A 94 1.094 -0.081 -6.217 1.00 0.00 O ATOM 1424 CB LEU A 94 -0.073 -3.045 -5.227 1.00 0.00 C ATOM 1425 CG LEU A 94 -1.399 -3.482 -4.586 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -2.193 -4.349 -5.565 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -1.113 -4.297 -3.321 1.00 0.00 C ATOM 0 H LEU A 94 -0.702 -3.714 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.121 -1.337 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.439 -3.912 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.584 -2.624 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.978 -2.594 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.131 -4.654 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.403 -3.778 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.611 -5.234 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.054 -4.607 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.528 -5.179 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.553 -3.686 -2.613 1.00 0.00 H new ATOM 1439 N LYS A 95 1.878 -1.816 -7.305 1.00 0.00 N ATOM 1440 CA LYS A 95 3.139 -1.099 -7.636 1.00 0.00 C ATOM 1441 C LYS A 95 2.791 0.199 -8.369 1.00 0.00 C ATOM 1442 O LYS A 95 3.370 1.242 -8.126 1.00 0.00 O ATOM 1443 CB LYS A 95 4.007 -1.994 -8.532 1.00 0.00 C ATOM 1444 CG LYS A 95 4.481 -3.246 -7.746 1.00 0.00 C ATOM 1445 CD LYS A 95 5.932 -3.604 -8.117 1.00 0.00 C ATOM 1446 CE LYS A 95 6.903 -2.503 -7.644 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.181 -3.134 -7.211 1.00 0.00 N ATOM 0 H LYS A 95 1.815 -2.770 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 95 3.691 -0.864 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.439 -2.301 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.870 -1.433 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.410 -3.057 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.826 -4.089 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.205 -4.556 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.016 -3.731 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.088 -1.793 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.463 -1.942 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.841 -2.397 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.995 -3.795 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.601 -3.651 -8.010 1.00 0.00 H new ATOM 1461 N THR A 96 1.835 0.148 -9.258 1.00 0.00 N ATOM 1462 CA THR A 96 1.440 1.380 -9.995 1.00 0.00 C ATOM 1463 C THR A 96 0.795 2.357 -9.014 1.00 0.00 C ATOM 1464 O THR A 96 0.916 3.560 -9.148 1.00 0.00 O ATOM 1465 CB THR A 96 0.441 1.024 -11.097 1.00 0.00 C ATOM 1466 OG1 THR A 96 0.927 -0.092 -11.831 1.00 0.00 O ATOM 1467 CG2 THR A 96 0.268 2.219 -12.036 1.00 0.00 C ATOM 0 H THR A 96 1.312 -0.693 -9.504 1.00 0.00 H new ATOM 0 HA THR A 96 2.320 1.837 -10.448 1.00 0.00 H new ATOM 0 HB THR A 96 -0.521 0.774 -10.650 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.813 -0.908 -11.300 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.444 1.965 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.104 3.074 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.229 2.471 -12.485 1.00 0.00 H new ATOM 1475 N THR A 97 0.128 1.852 -8.011 1.00 0.00 N ATOM 1476 CA THR A 97 -0.493 2.766 -7.020 1.00 0.00 C ATOM 1477 C THR A 97 0.643 3.570 -6.375 1.00 0.00 C ATOM 1478 O THR A 97 0.543 4.766 -6.180 1.00 0.00 O ATOM 1479 CB THR A 97 -1.274 1.943 -5.973 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.663 2.039 -6.252 1.00 0.00 O ATOM 1481 CG2 THR A 97 -1.015 2.441 -4.543 1.00 0.00 C ATOM 0 H THR A 97 -0.011 0.856 -7.839 1.00 0.00 H new ATOM 0 HA THR A 97 -1.204 3.446 -7.489 1.00 0.00 H new ATOM 0 HB THR A 97 -0.934 0.909 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.166 1.517 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.584 1.835 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.048 2.360 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.325 3.482 -4.459 1.00 0.00 H new ATOM 1489 N ILE A 98 1.729 2.913 -6.056 1.00 0.00 N ATOM 1490 CA ILE A 98 2.875 3.631 -5.440 1.00 0.00 C ATOM 1491 C ILE A 98 3.241 4.802 -6.341 1.00 0.00 C ATOM 1492 O ILE A 98 3.670 5.844 -5.888 1.00 0.00 O ATOM 1493 CB ILE A 98 4.081 2.698 -5.326 1.00 0.00 C ATOM 1494 CG1 ILE A 98 3.673 1.418 -4.596 1.00 0.00 C ATOM 1495 CG2 ILE A 98 5.198 3.389 -4.540 1.00 0.00 C ATOM 1496 CD1 ILE A 98 4.864 0.461 -4.542 1.00 0.00 C ATOM 0 H ILE A 98 1.867 1.912 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 98 2.599 3.977 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 98 4.437 2.453 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.336 1.654 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.836 0.945 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.055 2.720 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.496 4.301 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.840 3.638 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.574 -0.452 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.180 0.216 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.688 0.936 -4.010 1.00 0.00 H new ATOM 1508 N ARG A 99 3.073 4.644 -7.622 1.00 0.00 N ATOM 1509 CA ARG A 99 3.408 5.762 -8.534 1.00 0.00 C ATOM 1510 C ARG A 99 2.564 6.977 -8.140 1.00 0.00 C ATOM 1511 O ARG A 99 3.053 8.086 -8.039 1.00 0.00 O ATOM 1512 CB ARG A 99 3.100 5.371 -9.984 1.00 0.00 C ATOM 1513 CG ARG A 99 3.799 6.351 -10.948 1.00 0.00 C ATOM 1514 CD ARG A 99 5.224 5.871 -11.252 1.00 0.00 C ATOM 1515 NE ARG A 99 6.036 7.018 -11.746 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.158 6.798 -12.375 1.00 0.00 C ATOM 1517 NH1 ARG A 99 7.571 5.575 -12.564 1.00 0.00 N ATOM 1518 NH2 ARG A 99 7.868 7.802 -12.812 1.00 0.00 N ATOM 0 H ARG A 99 2.722 3.798 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 99 4.470 5.997 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.439 4.353 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.023 5.385 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.229 6.430 -11.874 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.830 7.347 -10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.677 5.450 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.201 5.078 -12.000 1.00 0.00 H new ATOM 0 HE ARG A 99 5.715 7.974 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.017 4.791 -12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.448 5.403 -13.056 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.546 8.758 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.745 7.631 -13.304 1.00 0.00 H new ATOM 1532 N ALA A 100 1.294 6.767 -7.907 1.00 0.00 N ATOM 1533 CA ALA A 100 0.408 7.898 -7.507 1.00 0.00 C ATOM 1534 C ALA A 100 0.860 8.434 -6.146 1.00 0.00 C ATOM 1535 O ALA A 100 0.640 9.577 -5.806 1.00 0.00 O ATOM 1536 CB ALA A 100 -1.035 7.402 -7.409 1.00 0.00 C ATOM 0 H ALA A 100 0.833 5.860 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 100 0.467 8.693 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.684 8.227 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.353 7.015 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.097 6.609 -6.663 1.00 0.00 H new ATOM 1542 N TYR A 101 1.502 7.625 -5.362 1.00 0.00 N ATOM 1543 CA TYR A 101 1.970 8.114 -4.041 1.00 0.00 C ATOM 1544 C TYR A 101 3.183 9.017 -4.273 1.00 0.00 C ATOM 1545 O TYR A 101 3.425 9.949 -3.539 1.00 0.00 O ATOM 1546 CB TYR A 101 2.348 6.912 -3.161 1.00 0.00 C ATOM 1547 CG TYR A 101 3.315 7.318 -2.075 1.00 0.00 C ATOM 1548 CD1 TYR A 101 2.842 7.806 -0.854 1.00 0.00 C ATOM 1549 CD2 TYR A 101 4.691 7.200 -2.297 1.00 0.00 C ATOM 1550 CE1 TYR A 101 3.747 8.178 0.144 1.00 0.00 C ATOM 1551 CE2 TYR A 101 5.594 7.572 -1.299 1.00 0.00 C ATOM 1552 CZ TYR A 101 5.121 8.061 -0.078 1.00 0.00 C ATOM 1553 OH TYR A 101 6.007 8.425 0.907 1.00 0.00 O ATOM 0 H TYR A 101 1.723 6.652 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 101 1.187 8.678 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.449 6.488 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.795 6.132 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.780 7.895 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.055 6.821 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.383 8.556 1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.657 7.482 -1.470 1.00 0.00 H new ATOM 0 HH TYR A 101 6.762 7.800 0.915 1.00 0.00 H new ATOM 1563 N ASN A 102 3.959 8.737 -5.277 1.00 0.00 N ATOM 1564 CA ASN A 102 5.159 9.581 -5.521 1.00 0.00 C ATOM 1565 C ASN A 102 4.750 11.007 -5.904 1.00 0.00 C ATOM 1566 O ASN A 102 5.354 11.955 -5.441 1.00 0.00 O ATOM 1567 CB ASN A 102 6.064 8.930 -6.581 1.00 0.00 C ATOM 1568 CG ASN A 102 6.833 9.976 -7.412 1.00 0.00 C ATOM 1569 OD1 ASN A 102 7.135 9.744 -8.565 1.00 0.00 O ATOM 1570 ND2 ASN A 102 7.164 11.121 -6.873 1.00 0.00 N ATOM 0 H ASN A 102 3.819 7.969 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 102 5.736 9.652 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.774 8.265 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.458 8.315 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.674 11.814 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.913 11.321 -5.905 1.00 0.00 H new ATOM 1577 N GLN A 103 3.743 11.204 -6.714 1.00 0.00 N ATOM 1578 CA GLN A 103 3.389 12.613 -7.027 1.00 0.00 C ATOM 1579 C GLN A 103 2.926 13.218 -5.711 1.00 0.00 C ATOM 1580 O GLN A 103 2.998 14.410 -5.490 1.00 0.00 O ATOM 1581 CB GLN A 103 2.297 12.692 -8.113 1.00 0.00 C ATOM 1582 CG GLN A 103 0.926 12.316 -7.541 1.00 0.00 C ATOM 1583 CD GLN A 103 0.314 13.510 -6.807 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -0.144 14.452 -7.422 1.00 0.00 O ATOM 1585 NE2 GLN A 103 0.287 13.502 -5.504 1.00 0.00 N ATOM 0 H GLN A 103 3.173 10.482 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 103 4.239 13.160 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.260 13.701 -8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.548 12.022 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.264 11.996 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.028 11.473 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.672 12.709 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.120 14.288 -4.997 1.00 0.00 H new ATOM 1594 N LYS A 104 2.511 12.368 -4.807 1.00 0.00 N ATOM 1595 CA LYS A 104 2.105 12.841 -3.455 1.00 0.00 C ATOM 1596 C LYS A 104 3.386 13.017 -2.621 1.00 0.00 C ATOM 1597 O LYS A 104 3.471 13.893 -1.784 1.00 0.00 O ATOM 1598 CB LYS A 104 1.125 11.814 -2.819 1.00 0.00 C ATOM 1599 CG LYS A 104 1.625 11.305 -1.462 1.00 0.00 C ATOM 1600 CD LYS A 104 0.593 10.364 -0.846 1.00 0.00 C ATOM 1601 CE LYS A 104 -0.722 11.106 -0.536 1.00 0.00 C ATOM 1602 NZ LYS A 104 -0.437 12.520 -0.161 1.00 0.00 N ATOM 0 H LYS A 104 2.437 11.361 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 104 1.580 13.795 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.146 12.277 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.994 10.970 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.575 10.785 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.807 12.146 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.395 9.539 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.994 9.930 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.378 11.078 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.248 10.605 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.240 12.906 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.421 12.557 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.293 13.085 -1.022 1.00 0.00 H new ATOM 1616 N TYR A 105 4.388 12.193 -2.848 1.00 0.00 N ATOM 1617 CA TYR A 105 5.656 12.326 -2.070 1.00 0.00 C ATOM 1618 C TYR A 105 6.599 13.269 -2.829 1.00 0.00 C ATOM 1619 O TYR A 105 7.727 13.488 -2.434 1.00 0.00 O ATOM 1620 CB TYR A 105 6.269 10.913 -1.815 1.00 0.00 C ATOM 1621 CG TYR A 105 7.726 10.834 -2.237 1.00 0.00 C ATOM 1622 CD1 TYR A 105 8.058 11.018 -3.576 1.00 0.00 C ATOM 1623 CD2 TYR A 105 8.728 10.565 -1.296 1.00 0.00 C ATOM 1624 CE1 TYR A 105 9.393 10.941 -3.988 1.00 0.00 C ATOM 1625 CE2 TYR A 105 10.066 10.488 -1.703 1.00 0.00 C ATOM 1626 CZ TYR A 105 10.398 10.676 -3.050 1.00 0.00 C ATOM 1627 OH TYR A 105 11.716 10.599 -3.455 1.00 0.00 O ATOM 0 H TYR A 105 4.378 11.440 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 105 5.474 12.763 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.186 10.669 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.694 10.165 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.282 11.221 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.469 10.417 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.648 11.086 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.841 10.284 -0.979 1.00 0.00 H new ATOM 0 HH TYR A 105 12.286 10.410 -2.680 1.00 0.00 H new ATOM 1637 N GLY A 106 6.141 13.828 -3.917 1.00 0.00 N ATOM 1638 CA GLY A 106 7.002 14.756 -4.705 1.00 0.00 C ATOM 1639 C GLY A 106 6.120 15.708 -5.516 1.00 0.00 C ATOM 1640 O GLY A 106 6.267 15.732 -6.727 1.00 0.00 O ATOM 1641 OXT GLY A 106 5.314 16.396 -4.912 1.00 0.00 O ATOM 0 H GLY A 106 5.205 13.681 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.649 15.324 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.651 14.188 -5.372 1.00 0.00 H new