USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 830 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 25 GLN : amide:sc= 0.392 K(o=0.18,f=-3.1!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.211 K(o=0.18,f=-4!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0552) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0408) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0342) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -116:sc= 0.096 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.343 (180deg=0.29) USER MOD Single : A 16 MET CE :methyl -129:sc= -0.254 (180deg=-1.44) USER MOD Single : A 17 TYR OH : rot 27:sc= 0.194 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0137) USER MOD Single : A 34 GLN :FLIP amide:sc= 1.63 F(o=0.42,f=1.6) USER MOD Single : A 36 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.39) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.417) USER MOD Single : A 45 TYR OH : rot 161:sc= 0.0793 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -95:sc= 1.43 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -70:sc= 0.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -122:sc= -0.0533 (180deg=-0.695) USER MOD Single : A 74 GLN : amide:sc= 0.298 X(o=0.3,f=-0.076) USER MOD Single : A 83 LYS NZ :NH3+ 151:sc= 0.277 (180deg=-0.0461) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -38.905 -32.147 13.300 1.00 0.00 N ATOM 2 CA GLY A -1 -38.182 -32.415 12.045 1.00 0.00 C ATOM 3 C GLY A -1 -36.874 -33.166 12.285 1.00 0.00 C ATOM 4 O GLY A -1 -36.551 -33.493 13.426 1.00 0.00 O ATOM 0 H1 GLY A -1 -39.813 -32.655 13.293 1.00 0.00 H new ATOM 0 H2 GLY A -1 -38.333 -32.471 14.106 1.00 0.00 H new ATOM 0 H3 GLY A -1 -39.080 -31.126 13.388 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -38.817 -32.998 11.378 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -37.971 -31.472 11.540 1.00 0.00 H new ATOM 10 N SER A 0 -36.127 -33.432 11.206 1.00 0.00 N ATOM 11 CA SER A 0 -34.848 -34.127 11.247 1.00 0.00 C ATOM 12 C SER A 0 -33.955 -33.601 10.123 1.00 0.00 C ATOM 13 O SER A 0 -34.438 -33.367 9.016 1.00 0.00 O ATOM 14 CB SER A 0 -35.067 -35.638 11.093 1.00 0.00 C ATOM 15 OG SER A 0 -35.928 -36.122 12.102 1.00 0.00 O ATOM 0 H SER A 0 -36.407 -33.161 10.263 1.00 0.00 H new ATOM 0 HA SER A 0 -34.363 -33.946 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 0 -35.492 -35.851 10.112 1.00 0.00 H new ATOM 0 HB3 SER A 0 -34.110 -36.157 11.145 1.00 0.00 H new ATOM 0 HG SER A 0 -36.057 -37.087 11.987 1.00 0.00 H new ATOM 21 N MET A 1 -32.661 -33.419 10.413 1.00 0.00 N ATOM 22 CA MET A 1 -31.661 -32.973 9.453 1.00 0.00 C ATOM 23 C MET A 1 -30.272 -33.363 9.965 1.00 0.00 C ATOM 24 O MET A 1 -29.905 -33.015 11.086 1.00 0.00 O ATOM 25 CB MET A 1 -31.794 -31.466 9.171 1.00 0.00 C ATOM 26 CG MET A 1 -31.724 -30.576 10.421 1.00 0.00 C ATOM 27 SD MET A 1 -32.035 -28.813 10.120 1.00 0.00 S ATOM 28 CE MET A 1 -33.827 -28.839 9.860 1.00 0.00 C ATOM 0 H MET A 1 -32.278 -33.583 11.344 1.00 0.00 H new ATOM 0 HA MET A 1 -31.820 -33.468 8.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 -31.004 -31.167 8.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.742 -31.286 8.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 -32.449 -30.939 11.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.738 -30.685 10.872 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.196 -27.818 9.767 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.054 -29.391 8.948 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.311 -29.324 10.708 1.00 0.00 H new ATOM 38 N LYS A 2 -29.531 -34.131 9.159 1.00 0.00 N ATOM 39 CA LYS A 2 -28.245 -34.724 9.511 1.00 0.00 C ATOM 40 C LYS A 2 -27.240 -34.428 8.397 1.00 0.00 C ATOM 41 O LYS A 2 -27.569 -34.581 7.222 1.00 0.00 O ATOM 42 CB LYS A 2 -28.432 -36.236 9.691 1.00 0.00 C ATOM 43 CG LYS A 2 -29.122 -36.550 11.028 1.00 0.00 C ATOM 44 CD LYS A 2 -29.703 -37.971 11.062 1.00 0.00 C ATOM 45 CE LYS A 2 -31.219 -37.987 10.810 1.00 0.00 C ATOM 46 NZ LYS A 2 -31.546 -37.444 9.504 1.00 0.00 N ATOM 0 H LYS A 2 -29.825 -34.363 8.210 1.00 0.00 H new ATOM 0 HA LYS A 2 -27.867 -34.303 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.027 -36.633 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -27.463 -36.733 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -28.405 -36.433 11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -29.921 -35.829 11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -29.205 -38.583 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -29.493 -38.424 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -31.591 -39.009 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -31.724 -37.408 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -32.557 -37.592 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -31.336 -36.425 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -30.979 -37.925 8.776 1.00 0.00 H new ATOM 59 N LYS A 3 -26.027 -33.997 8.768 1.00 0.00 N ATOM 60 CA LYS A 3 -24.950 -33.658 7.846 1.00 0.00 C ATOM 61 C LYS A 3 -23.612 -34.117 8.433 1.00 0.00 C ATOM 62 O LYS A 3 -23.529 -34.441 9.618 1.00 0.00 O ATOM 63 CB LYS A 3 -24.930 -32.143 7.585 1.00 0.00 C ATOM 64 CG LYS A 3 -26.238 -31.634 6.967 1.00 0.00 C ATOM 65 CD LYS A 3 -26.104 -30.155 6.583 1.00 0.00 C ATOM 66 CE LYS A 3 -27.432 -29.561 6.098 1.00 0.00 C ATOM 67 NZ LYS A 3 -27.868 -30.193 4.868 1.00 0.00 N ATOM 0 H LYS A 3 -25.767 -33.873 9.746 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.116 -34.167 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.748 -31.619 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -24.101 -31.904 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.486 -32.225 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.057 -31.760 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.747 -29.589 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.354 -30.051 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.194 -29.690 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.318 -28.489 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -28.713 -29.705 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -27.108 -30.137 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.096 -31.191 5.052 1.00 0.00 H new ATOM 80 N TRP A 4 -22.571 -34.142 7.593 1.00 0.00 N ATOM 81 CA TRP A 4 -21.216 -34.542 7.931 1.00 0.00 C ATOM 82 C TRP A 4 -20.243 -33.468 7.440 1.00 0.00 C ATOM 83 O TRP A 4 -20.644 -32.502 6.788 1.00 0.00 O ATOM 84 CB TRP A 4 -20.920 -35.900 7.278 1.00 0.00 C ATOM 85 CG TRP A 4 -20.941 -35.903 5.779 1.00 0.00 C ATOM 86 CD1 TRP A 4 -19.858 -35.786 4.979 1.00 0.00 C ATOM 87 CD2 TRP A 4 -22.090 -35.970 4.882 1.00 0.00 C ATOM 88 NE1 TRP A 4 -20.248 -35.765 3.656 1.00 0.00 N ATOM 89 CE2 TRP A 4 -21.621 -35.865 3.540 1.00 0.00 C ATOM 90 CE3 TRP A 4 -23.484 -36.100 5.065 1.00 0.00 C ATOM 91 CZ2 TRP A 4 -22.490 -35.875 2.438 1.00 0.00 C ATOM 92 CZ3 TRP A 4 -24.365 -36.103 3.967 1.00 0.00 C ATOM 93 CH2 TRP A 4 -23.872 -35.987 2.656 1.00 0.00 C ATOM 0 H TRP A 4 -22.663 -33.869 6.614 1.00 0.00 H new ATOM 0 HA TRP A 4 -21.101 -34.644 9.010 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -19.940 -36.241 7.613 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -21.650 -36.625 7.638 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -18.837 -35.719 5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -19.607 -35.686 2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -23.881 -36.199 6.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -22.100 -35.797 1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -25.428 -36.195 4.133 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -24.554 -35.984 1.819 1.00 0.00 H new ATOM 104 N SER A 5 -18.958 -33.663 7.744 1.00 0.00 N ATOM 105 CA SER A 5 -17.851 -32.819 7.314 1.00 0.00 C ATOM 106 C SER A 5 -16.859 -33.666 6.514 1.00 0.00 C ATOM 107 O SER A 5 -16.664 -34.842 6.818 1.00 0.00 O ATOM 108 CB SER A 5 -17.182 -32.190 8.540 1.00 0.00 C ATOM 109 OG SER A 5 -16.170 -31.285 8.148 1.00 0.00 O ATOM 0 H SER A 5 -18.652 -34.447 8.321 1.00 0.00 H new ATOM 0 HA SER A 5 -18.214 -32.014 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.928 -31.671 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.754 -32.972 9.168 1.00 0.00 H new ATOM 0 HG SER A 5 -15.756 -30.892 8.945 1.00 0.00 H new ATOM 115 N ASP A 6 -16.235 -33.061 5.495 1.00 0.00 N ATOM 116 CA ASP A 6 -15.238 -33.693 4.649 1.00 0.00 C ATOM 117 C ASP A 6 -14.452 -32.591 3.937 1.00 0.00 C ATOM 118 O ASP A 6 -14.725 -32.274 2.781 1.00 0.00 O ATOM 119 CB ASP A 6 -15.914 -34.662 3.664 1.00 0.00 C ATOM 120 CG ASP A 6 -14.917 -35.389 2.763 1.00 0.00 C ATOM 121 OD1 ASP A 6 -13.725 -35.421 3.062 1.00 0.00 O ATOM 122 OD2 ASP A 6 -15.448 -35.975 1.652 1.00 0.00 O ATOM 0 H ASP A 6 -16.421 -32.092 5.237 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.544 -34.289 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.492 -35.397 4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.619 -34.108 3.044 1.00 0.00 H new ATOM 128 N THR A 7 -13.496 -31.988 4.656 1.00 0.00 N ATOM 129 CA THR A 7 -12.700 -30.858 4.198 1.00 0.00 C ATOM 130 C THR A 7 -11.251 -31.027 4.662 1.00 0.00 C ATOM 131 O THR A 7 -10.991 -31.705 5.655 1.00 0.00 O ATOM 132 CB THR A 7 -13.287 -29.547 4.752 1.00 0.00 C ATOM 133 OG1 THR A 7 -13.364 -29.607 6.161 1.00 0.00 O ATOM 134 CG2 THR A 7 -14.680 -29.252 4.190 1.00 0.00 C ATOM 0 H THR A 7 -13.253 -32.288 5.600 1.00 0.00 H new ATOM 0 HA THR A 7 -12.721 -30.819 3.109 1.00 0.00 H new ATOM 0 HB THR A 7 -12.619 -28.744 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.737 -28.768 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.052 -28.318 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.624 -29.165 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.358 -30.064 4.454 1.00 0.00 H new ATOM 142 N GLU A 8 -10.316 -30.392 3.945 1.00 0.00 N ATOM 143 CA GLU A 8 -8.907 -30.341 4.313 1.00 0.00 C ATOM 144 C GLU A 8 -8.291 -29.079 3.701 1.00 0.00 C ATOM 145 O GLU A 8 -7.436 -29.153 2.819 1.00 0.00 O ATOM 146 CB GLU A 8 -8.203 -31.636 3.874 1.00 0.00 C ATOM 147 CG GLU A 8 -6.804 -31.762 4.491 1.00 0.00 C ATOM 148 CD GLU A 8 -6.126 -33.061 4.066 1.00 0.00 C ATOM 149 OE1 GLU A 8 -5.941 -33.948 4.898 1.00 0.00 O ATOM 150 OE2 GLU A 8 -5.762 -33.144 2.755 1.00 0.00 O ATOM 0 H GLU A 8 -10.526 -29.893 3.080 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.783 -30.280 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.807 -32.495 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.124 -31.656 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.192 -30.913 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.879 -31.727 5.578 1.00 0.00 H new ATOM 158 N VAL A 9 -8.748 -27.914 4.174 1.00 0.00 N ATOM 159 CA VAL A 9 -8.247 -26.609 3.761 1.00 0.00 C ATOM 160 C VAL A 9 -7.149 -26.187 4.737 1.00 0.00 C ATOM 161 O VAL A 9 -7.264 -26.419 5.940 1.00 0.00 O ATOM 162 CB VAL A 9 -9.403 -25.593 3.712 1.00 0.00 C ATOM 163 CG1 VAL A 9 -8.905 -24.196 3.314 1.00 0.00 C ATOM 164 CG2 VAL A 9 -10.463 -26.039 2.695 1.00 0.00 C ATOM 0 H VAL A 9 -9.492 -27.857 4.869 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.823 -26.655 2.758 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.835 -25.547 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.746 -23.503 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.172 -23.850 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.443 -24.242 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.274 -25.311 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.011 -26.110 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.858 -27.013 2.985 1.00 0.00 H new ATOM 174 N PHE A 10 -6.084 -25.576 4.205 1.00 0.00 N ATOM 175 CA PHE A 10 -4.929 -25.106 4.947 1.00 0.00 C ATOM 176 C PHE A 10 -4.972 -23.575 4.923 1.00 0.00 C ATOM 177 O PHE A 10 -5.775 -22.983 5.642 1.00 0.00 O ATOM 178 CB PHE A 10 -3.647 -25.758 4.380 1.00 0.00 C ATOM 179 CG PHE A 10 -3.603 -25.995 2.873 1.00 0.00 C ATOM 180 CD1 PHE A 10 -4.281 -27.103 2.325 1.00 0.00 C ATOM 181 CD2 PHE A 10 -2.833 -25.173 2.024 1.00 0.00 C ATOM 182 CE1 PHE A 10 -4.264 -27.335 0.940 1.00 0.00 C ATOM 183 CE2 PHE A 10 -2.819 -25.401 0.638 1.00 0.00 C ATOM 184 CZ PHE A 10 -3.534 -26.482 0.094 1.00 0.00 C ATOM 0 H PHE A 10 -6.009 -25.392 3.204 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.935 -25.404 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.799 -25.129 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.505 -26.717 4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.817 -27.778 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.251 -24.364 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.811 -28.168 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.258 -24.745 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.523 -26.657 -0.972 1.00 0.00 H new ATOM 194 N GLU A 11 -4.144 -22.942 4.090 1.00 0.00 N ATOM 195 CA GLU A 11 -4.110 -21.503 3.871 1.00 0.00 C ATOM 196 C GLU A 11 -4.215 -21.225 2.373 1.00 0.00 C ATOM 197 O GLU A 11 -3.487 -21.818 1.577 1.00 0.00 O ATOM 198 CB GLU A 11 -2.873 -20.849 4.510 1.00 0.00 C ATOM 199 CG GLU A 11 -1.507 -21.438 4.130 1.00 0.00 C ATOM 200 CD GLU A 11 -1.159 -22.734 4.861 1.00 0.00 C ATOM 201 OE1 GLU A 11 -0.600 -23.638 4.246 1.00 0.00 O ATOM 202 OE2 GLU A 11 -1.493 -22.800 6.183 1.00 0.00 O ATOM 0 H GLU A 11 -3.453 -23.441 3.530 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.965 -21.045 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.873 -19.791 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.979 -20.907 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.490 -21.624 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.734 -20.698 4.338 1.00 0.00 H new ATOM 210 N MET A 12 -5.146 -20.344 1.998 1.00 0.00 N ATOM 211 CA MET A 12 -5.409 -19.943 0.624 1.00 0.00 C ATOM 212 C MET A 12 -5.864 -18.490 0.620 1.00 0.00 C ATOM 213 O MET A 12 -6.499 -18.047 1.570 1.00 0.00 O ATOM 214 CB MET A 12 -6.537 -20.788 0.027 1.00 0.00 C ATOM 215 CG MET A 12 -6.190 -22.275 -0.093 1.00 0.00 C ATOM 216 SD MET A 12 -7.517 -23.270 -0.824 1.00 0.00 S ATOM 217 CE MET A 12 -6.906 -24.925 -0.416 1.00 0.00 C ATOM 0 H MET A 12 -5.755 -19.877 2.670 1.00 0.00 H new ATOM 0 HA MET A 12 -4.500 -20.078 0.038 1.00 0.00 H new ATOM 0 HB2 MET A 12 -7.428 -20.680 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.786 -20.401 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.290 -22.382 -0.699 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.956 -22.667 0.897 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.603 -25.673 -0.793 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.929 -25.076 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.817 -25.024 0.666 1.00 0.00 H new ATOM 227 N LEU A 13 -5.571 -17.765 -0.461 1.00 0.00 N ATOM 228 CA LEU A 13 -5.951 -16.368 -0.626 1.00 0.00 C ATOM 229 C LEU A 13 -5.660 -15.904 -2.046 1.00 0.00 C ATOM 230 O LEU A 13 -4.816 -16.488 -2.724 1.00 0.00 O ATOM 231 CB LEU A 13 -5.244 -15.480 0.405 1.00 0.00 C ATOM 232 CG LEU A 13 -3.710 -15.559 0.375 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.140 -14.345 -0.362 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.185 -15.573 1.811 1.00 0.00 C ATOM 0 H LEU A 13 -5.055 -18.141 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.024 -16.280 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.544 -14.445 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.589 -15.757 1.401 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.403 -16.467 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.052 -14.408 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.519 -14.329 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.443 -13.432 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.096 -15.629 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.496 -14.661 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.587 -16.439 2.337 1.00 0.00 H new ATOM 246 N LYS A 14 -6.375 -14.861 -2.485 1.00 0.00 N ATOM 247 CA LYS A 14 -6.313 -14.349 -3.851 1.00 0.00 C ATOM 248 C LYS A 14 -5.838 -12.898 -3.890 1.00 0.00 C ATOM 249 O LYS A 14 -5.698 -12.258 -2.852 1.00 0.00 O ATOM 250 CB LYS A 14 -7.662 -14.561 -4.544 1.00 0.00 C ATOM 251 CG LYS A 14 -8.799 -13.707 -3.973 1.00 0.00 C ATOM 252 CD LYS A 14 -8.982 -12.394 -4.739 1.00 0.00 C ATOM 253 CE LYS A 14 -10.120 -11.542 -4.172 1.00 0.00 C ATOM 254 NZ LYS A 14 -11.400 -12.212 -4.312 1.00 0.00 N ATOM 0 H LYS A 14 -7.021 -14.344 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.565 -14.912 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.552 -14.338 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.937 -15.613 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.728 -14.276 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.595 -13.488 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.053 -11.824 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.183 -12.613 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.930 -11.332 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.151 -10.582 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.165 -11.554 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.522 -12.526 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.431 -13.037 -3.679 1.00 0.00 H new ATOM 267 N ARG A 15 -5.581 -12.394 -5.101 1.00 0.00 N ATOM 268 CA ARG A 15 -4.898 -11.136 -5.352 1.00 0.00 C ATOM 269 C ARG A 15 -5.881 -10.039 -5.747 1.00 0.00 C ATOM 270 O ARG A 15 -6.384 -10.021 -6.870 1.00 0.00 O ATOM 271 CB ARG A 15 -3.853 -11.394 -6.434 1.00 0.00 C ATOM 272 CG ARG A 15 -3.186 -10.126 -6.958 1.00 0.00 C ATOM 273 CD ARG A 15 -1.896 -10.461 -7.719 1.00 0.00 C ATOM 274 NE ARG A 15 -2.129 -11.398 -8.829 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.172 -11.856 -9.655 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.102 -11.473 -9.502 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.489 -12.715 -10.631 1.00 0.00 N ATOM 0 H ARG A 15 -5.855 -12.873 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.409 -10.777 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.087 -12.059 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.326 -11.916 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.873 -9.594 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.960 -9.459 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.458 -9.542 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.171 -10.892 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.084 -11.723 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.354 -10.828 -8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.820 -11.826 -10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.455 -13.021 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.765 -13.064 -11.259 1.00 0.00 H new ATOM 291 N MET A 16 -6.118 -9.093 -4.833 1.00 0.00 N ATOM 292 CA MET A 16 -6.902 -7.909 -5.114 1.00 0.00 C ATOM 293 C MET A 16 -5.984 -6.794 -5.619 1.00 0.00 C ATOM 294 O MET A 16 -5.363 -6.075 -4.838 1.00 0.00 O ATOM 295 CB MET A 16 -7.717 -7.492 -3.890 1.00 0.00 C ATOM 296 CG MET A 16 -6.964 -7.479 -2.562 1.00 0.00 C ATOM 297 SD MET A 16 -7.726 -6.467 -1.276 1.00 0.00 S ATOM 298 CE MET A 16 -7.625 -4.808 -2.009 1.00 0.00 C ATOM 0 H MET A 16 -5.766 -9.137 -3.877 1.00 0.00 H new ATOM 0 HA MET A 16 -7.623 -8.127 -5.902 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.119 -6.495 -4.068 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.568 -8.167 -3.797 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.879 -8.503 -2.198 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.951 -7.118 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.176 -4.120 -1.292 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.012 -4.845 -2.910 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.626 -4.462 -2.265 1.00 0.00 H new ATOM 308 N TYR A 17 -5.926 -6.631 -6.942 1.00 0.00 N ATOM 309 CA TYR A 17 -5.257 -5.492 -7.547 1.00 0.00 C ATOM 310 C TYR A 17 -6.160 -4.280 -7.353 1.00 0.00 C ATOM 311 O TYR A 17 -7.363 -4.390 -7.564 1.00 0.00 O ATOM 312 CB TYR A 17 -4.972 -5.765 -9.026 1.00 0.00 C ATOM 313 CG TYR A 17 -4.057 -4.740 -9.665 1.00 0.00 C ATOM 314 CD1 TYR A 17 -2.667 -4.837 -9.467 1.00 0.00 C ATOM 315 CD2 TYR A 17 -4.579 -3.698 -10.451 1.00 0.00 C ATOM 316 CE1 TYR A 17 -1.805 -3.892 -10.045 1.00 0.00 C ATOM 317 CE2 TYR A 17 -3.709 -2.794 -11.086 1.00 0.00 C ATOM 318 CZ TYR A 17 -2.322 -2.897 -10.893 1.00 0.00 C ATOM 319 OH TYR A 17 -1.478 -2.032 -11.525 1.00 0.00 O ATOM 0 H TYR A 17 -6.338 -7.280 -7.612 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.292 -5.306 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.523 -6.753 -9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.915 -5.788 -9.571 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.263 -5.640 -8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.647 -3.592 -10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.746 -3.929 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.108 -2.019 -11.723 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.604 -2.459 -11.648 1.00 0.00 H new ATOM 329 N ALA A 18 -5.604 -3.144 -6.922 1.00 0.00 N ATOM 330 CA ALA A 18 -6.362 -1.923 -6.710 1.00 0.00 C ATOM 331 C ALA A 18 -5.582 -0.733 -7.252 1.00 0.00 C ATOM 332 O ALA A 18 -4.594 -0.297 -6.668 1.00 0.00 O ATOM 333 CB ALA A 18 -6.738 -1.766 -5.242 1.00 0.00 C ATOM 0 H ALA A 18 -4.610 -3.053 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.301 -1.976 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.305 -0.845 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.346 -2.615 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.832 -1.726 -4.637 1.00 0.00 H new ATOM 339 N ARG A 19 -6.048 -0.229 -8.394 1.00 0.00 N ATOM 340 CA ARG A 19 -5.441 0.858 -9.138 1.00 0.00 C ATOM 341 C ARG A 19 -6.048 2.174 -8.650 1.00 0.00 C ATOM 342 O ARG A 19 -7.162 2.520 -9.040 1.00 0.00 O ATOM 343 CB ARG A 19 -5.679 0.620 -10.634 1.00 0.00 C ATOM 344 CG ARG A 19 -4.890 1.587 -11.521 1.00 0.00 C ATOM 345 CD ARG A 19 -3.394 1.268 -11.514 1.00 0.00 C ATOM 346 NE ARG A 19 -2.698 2.063 -12.532 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.457 1.835 -12.993 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.794 0.717 -12.665 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.880 2.741 -13.792 1.00 0.00 N ATOM 0 H ARG A 19 -6.894 -0.586 -8.839 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.364 0.907 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.401 -0.404 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.743 0.722 -10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.268 1.536 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.046 2.609 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.975 1.478 -10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.241 0.206 -11.705 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.201 2.859 -12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.231 0.025 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.148 0.559 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.382 3.592 -14.044 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.062 2.580 -14.149 1.00 0.00 H new ATOM 363 N VAL A 20 -5.326 2.877 -7.771 1.00 0.00 N ATOM 364 CA VAL A 20 -5.813 4.043 -7.052 1.00 0.00 C ATOM 365 C VAL A 20 -5.313 5.307 -7.753 1.00 0.00 C ATOM 366 O VAL A 20 -4.111 5.551 -7.818 1.00 0.00 O ATOM 367 CB VAL A 20 -5.369 3.962 -5.582 1.00 0.00 C ATOM 368 CG1 VAL A 20 -5.851 5.185 -4.794 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.898 2.685 -4.914 1.00 0.00 C ATOM 0 H VAL A 20 -4.362 2.638 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.903 4.075 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.279 3.940 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.523 5.102 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.433 6.090 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.939 5.234 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.569 2.654 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.987 2.680 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.514 1.812 -5.442 1.00 0.00 H new ATOM 379 N TYR A 21 -6.251 6.104 -8.275 1.00 0.00 N ATOM 380 CA TYR A 21 -5.980 7.342 -9.000 1.00 0.00 C ATOM 381 C TYR A 21 -6.158 8.557 -8.088 1.00 0.00 C ATOM 382 O TYR A 21 -6.903 8.495 -7.110 1.00 0.00 O ATOM 383 CB TYR A 21 -6.934 7.451 -10.200 1.00 0.00 C ATOM 384 CG TYR A 21 -6.711 6.423 -11.293 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.222 5.117 -11.160 1.00 0.00 C ATOM 386 CD2 TYR A 21 -6.012 6.776 -12.460 1.00 0.00 C ATOM 387 CE1 TYR A 21 -6.996 4.162 -12.161 1.00 0.00 C ATOM 388 CE2 TYR A 21 -5.791 5.820 -13.466 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.260 4.506 -13.306 1.00 0.00 C ATOM 390 OH TYR A 21 -5.990 3.565 -14.258 1.00 0.00 O ATOM 0 H TYR A 21 -7.247 5.897 -8.201 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.948 7.323 -9.349 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.959 7.359 -9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.836 8.446 -10.633 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.791 4.850 -10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.644 7.784 -12.584 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.388 3.162 -12.051 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.259 6.096 -14.364 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.472 3.973 -14.983 1.00 0.00 H new ATOM 400 N GLY A 22 -5.525 9.678 -8.458 1.00 0.00 N ATOM 401 CA GLY A 22 -5.805 11.002 -7.921 1.00 0.00 C ATOM 402 C GLY A 22 -4.577 11.626 -7.274 1.00 0.00 C ATOM 403 O GLY A 22 -3.455 11.177 -7.490 1.00 0.00 O ATOM 0 H GLY A 22 -4.784 9.681 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.162 11.650 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.607 10.933 -7.186 1.00 0.00 H new ATOM 407 N LEU A 23 -4.804 12.658 -6.450 1.00 0.00 N ATOM 408 CA LEU A 23 -3.747 13.392 -5.761 1.00 0.00 C ATOM 409 C LEU A 23 -3.364 12.692 -4.449 1.00 0.00 C ATOM 410 O LEU A 23 -2.981 13.339 -3.477 1.00 0.00 O ATOM 411 CB LEU A 23 -4.192 14.847 -5.564 1.00 0.00 C ATOM 412 CG LEU A 23 -3.035 15.843 -5.367 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.257 16.100 -6.666 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.608 17.174 -4.867 1.00 0.00 C ATOM 0 H LEU A 23 -5.740 13.007 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.841 13.404 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.778 15.156 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.852 14.899 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.344 15.409 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.452 16.809 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.836 15.163 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.930 16.511 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.797 17.888 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.311 17.566 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.123 17.015 -3.920 1.00 0.00 H new ATOM 426 N VAL A 24 -3.450 11.355 -4.434 1.00 0.00 N ATOM 427 CA VAL A 24 -2.944 10.512 -3.359 1.00 0.00 C ATOM 428 C VAL A 24 -1.406 10.468 -3.363 1.00 0.00 C ATOM 429 O VAL A 24 -0.797 10.145 -2.344 1.00 0.00 O ATOM 430 CB VAL A 24 -3.592 9.119 -3.440 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.124 9.189 -3.337 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.220 8.395 -4.732 1.00 0.00 C ATOM 0 H VAL A 24 -3.884 10.824 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.224 10.943 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.203 8.560 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.539 8.183 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.404 9.639 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.516 9.794 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.697 7.415 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.558 8.980 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.138 8.272 -4.782 1.00 0.00 H new ATOM 442 N GLN A 25 -0.779 10.825 -4.494 1.00 0.00 N ATOM 443 CA GLN A 25 0.656 11.034 -4.606 1.00 0.00 C ATOM 444 C GLN A 25 1.115 12.088 -3.598 1.00 0.00 C ATOM 445 O GLN A 25 0.485 13.134 -3.453 1.00 0.00 O ATOM 446 CB GLN A 25 1.019 11.456 -6.035 1.00 0.00 C ATOM 447 CG GLN A 25 1.449 10.247 -6.870 1.00 0.00 C ATOM 448 CD GLN A 25 0.345 9.222 -7.126 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.837 9.519 -6.984 1.00 0.00 O ATOM 450 NE2 GLN A 25 0.736 8.009 -7.522 1.00 0.00 N ATOM 0 H GLN A 25 -1.276 10.978 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 25 1.169 10.098 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.163 11.941 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.825 12.189 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.827 10.601 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.277 9.750 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.729 7.803 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.042 7.288 -7.719 1.00 0.00 H new ATOM 459 N GLY A 26 2.212 11.789 -2.894 1.00 0.00 N ATOM 460 CA GLY A 26 2.775 12.649 -1.865 1.00 0.00 C ATOM 461 C GLY A 26 1.968 12.635 -0.561 1.00 0.00 C ATOM 462 O GLY A 26 2.235 13.454 0.315 1.00 0.00 O ATOM 0 H GLY A 26 2.738 10.926 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.797 12.334 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.827 13.670 -2.242 1.00 0.00 H new ATOM 466 N VAL A 27 1.003 11.713 -0.423 1.00 0.00 N ATOM 467 CA VAL A 27 0.199 11.526 0.778 1.00 0.00 C ATOM 468 C VAL A 27 0.247 10.042 1.148 1.00 0.00 C ATOM 469 O VAL A 27 0.449 9.187 0.283 1.00 0.00 O ATOM 470 CB VAL A 27 -1.239 12.039 0.544 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.067 11.981 1.836 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.237 13.486 0.027 1.00 0.00 C ATOM 0 H VAL A 27 0.759 11.062 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 27 0.595 12.105 1.612 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.688 11.386 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.074 12.348 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.119 10.951 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.596 12.602 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.263 13.818 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.753 14.133 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.694 13.534 -0.917 1.00 0.00 H new ATOM 482 N GLY A 28 0.090 9.728 2.439 1.00 0.00 N ATOM 483 CA GLY A 28 0.246 8.381 2.969 1.00 0.00 C ATOM 484 C GLY A 28 -1.000 7.515 2.770 1.00 0.00 C ATOM 485 O GLY A 28 -1.403 6.804 3.688 1.00 0.00 O ATOM 0 H GLY A 28 -0.153 10.417 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.097 7.902 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.476 8.439 4.033 1.00 0.00 H new ATOM 489 N PHE A 29 -1.581 7.537 1.563 1.00 0.00 N ATOM 490 CA PHE A 29 -2.662 6.644 1.171 1.00 0.00 C ATOM 491 C PHE A 29 -2.202 5.196 1.320 1.00 0.00 C ATOM 492 O PHE A 29 -2.872 4.384 1.955 1.00 0.00 O ATOM 493 CB PHE A 29 -3.070 6.944 -0.283 1.00 0.00 C ATOM 494 CG PHE A 29 -4.070 5.958 -0.860 1.00 0.00 C ATOM 495 CD1 PHE A 29 -3.635 4.717 -1.359 1.00 0.00 C ATOM 496 CD2 PHE A 29 -5.446 6.221 -0.764 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.566 3.694 -1.603 1.00 0.00 C ATOM 498 CE2 PHE A 29 -6.382 5.209 -1.038 1.00 0.00 C ATOM 499 CZ PHE A 29 -5.939 3.931 -1.419 1.00 0.00 C ATOM 0 H PHE A 29 -1.305 8.187 0.827 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.529 6.800 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.495 7.947 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.176 6.947 -0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.586 4.551 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.787 7.205 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.226 2.723 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.439 5.413 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.651 3.133 -1.570 1.00 0.00 H new ATOM 509 N ARG A 30 -1.046 4.889 0.726 1.00 0.00 N ATOM 510 CA ARG A 30 -0.461 3.563 0.741 1.00 0.00 C ATOM 511 C ARG A 30 -0.247 3.056 2.167 1.00 0.00 C ATOM 512 O ARG A 30 -0.563 1.903 2.447 1.00 0.00 O ATOM 513 CB ARG A 30 0.828 3.565 -0.086 1.00 0.00 C ATOM 514 CG ARG A 30 1.928 4.492 0.444 1.00 0.00 C ATOM 515 CD ARG A 30 2.946 4.747 -0.671 1.00 0.00 C ATOM 516 NE ARG A 30 4.241 5.177 -0.136 1.00 0.00 N ATOM 517 CZ ARG A 30 4.594 6.433 0.177 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.693 7.426 0.175 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.871 6.682 0.490 1.00 0.00 N ATOM 0 H ARG A 30 -0.488 5.573 0.215 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.156 2.860 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.218 2.548 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.587 3.857 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.496 5.434 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.419 4.039 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.079 3.838 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.561 5.510 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 30 4.942 4.451 0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.721 7.232 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.979 8.375 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.554 5.924 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.162 7.630 0.731 1.00 0.00 H new ATOM 533 N LYS A 31 0.238 3.922 3.066 1.00 0.00 N ATOM 534 CA LYS A 31 0.451 3.611 4.471 1.00 0.00 C ATOM 535 C LYS A 31 -0.880 3.337 5.164 1.00 0.00 C ATOM 536 O LYS A 31 -0.995 2.359 5.895 1.00 0.00 O ATOM 537 CB LYS A 31 1.200 4.763 5.144 1.00 0.00 C ATOM 538 CG LYS A 31 1.612 4.425 6.583 1.00 0.00 C ATOM 539 CD LYS A 31 2.556 5.502 7.136 1.00 0.00 C ATOM 540 CE LYS A 31 2.783 5.345 8.645 1.00 0.00 C ATOM 541 NZ LYS A 31 3.491 4.112 8.938 1.00 0.00 N ATOM 0 H LYS A 31 0.497 4.878 2.823 1.00 0.00 H new ATOM 0 HA LYS A 31 1.058 2.709 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.088 5.006 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.569 5.651 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.726 4.350 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.104 3.453 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.513 5.447 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.140 6.489 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.353 6.194 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.824 5.350 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.692 4.061 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.904 3.300 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.385 4.090 8.407 1.00 0.00 H new ATOM 554 N PHE A 32 -1.891 4.181 4.937 1.00 0.00 N ATOM 555 CA PHE A 32 -3.216 3.953 5.507 1.00 0.00 C ATOM 556 C PHE A 32 -3.733 2.560 5.124 1.00 0.00 C ATOM 557 O PHE A 32 -4.247 1.827 5.967 1.00 0.00 O ATOM 558 CB PHE A 32 -4.192 5.046 5.048 1.00 0.00 C ATOM 559 CG PHE A 32 -5.591 5.027 5.659 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.872 4.326 6.853 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.636 5.704 5.000 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.170 4.321 7.389 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.933 5.710 5.546 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.200 5.022 6.741 1.00 0.00 C ATOM 0 H PHE A 32 -1.815 5.023 4.366 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.141 3.999 6.593 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.741 6.015 5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.294 4.976 3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.082 3.790 7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.441 6.221 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.376 3.778 8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.726 6.245 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.195 5.032 7.161 1.00 0.00 H new ATOM 574 N VAL A 33 -3.583 2.190 3.846 1.00 0.00 N ATOM 575 CA VAL A 33 -3.935 0.856 3.369 1.00 0.00 C ATOM 576 C VAL A 33 -3.066 -0.212 4.038 1.00 0.00 C ATOM 577 O VAL A 33 -3.563 -1.307 4.295 1.00 0.00 O ATOM 578 CB VAL A 33 -3.890 0.782 1.831 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.148 -0.640 1.314 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.963 1.688 1.215 1.00 0.00 C ATOM 0 H VAL A 33 -3.216 2.806 3.121 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.966 0.649 3.658 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.889 1.103 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.107 -0.644 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.388 -1.314 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.133 -0.973 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.915 1.622 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.948 1.368 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.790 2.719 1.524 1.00 0.00 H new ATOM 590 N GLN A 34 -1.804 0.107 4.358 1.00 0.00 N ATOM 591 CA GLN A 34 -0.949 -0.816 5.089 1.00 0.00 C ATOM 592 C GLN A 34 -1.571 -1.155 6.443 1.00 0.00 C ATOM 593 O GLN A 34 -1.774 -2.331 6.703 1.00 0.00 O ATOM 594 CB GLN A 34 0.514 -0.348 5.237 1.00 0.00 C ATOM 595 CG GLN A 34 1.350 -0.220 3.961 1.00 0.00 C ATOM 596 CD GLN A 34 0.995 -1.259 2.911 1.00 0.00 C ATOM 597 OE1 GLN A 34 0.017 -0.934 2.070 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 1.586 -2.330 2.868 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.362 0.995 4.120 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.890 -1.720 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.508 0.623 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.023 -1.044 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.210 0.776 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.406 -0.314 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.329 -2.529 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.335 -3.023 2.163 1.00 0.00 H new ATOM 607 N ILE A 35 -1.888 -0.170 7.295 1.00 0.00 N ATOM 608 CA ILE A 35 -2.339 -0.415 8.670 1.00 0.00 C ATOM 609 C ILE A 35 -3.333 -1.577 8.785 1.00 0.00 C ATOM 610 O ILE A 35 -3.065 -2.529 9.515 1.00 0.00 O ATOM 611 CB ILE A 35 -2.932 0.868 9.295 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.976 2.075 9.292 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.416 0.599 10.729 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.680 1.850 10.074 1.00 0.00 C ATOM 0 H ILE A 35 -1.839 0.819 7.049 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.451 -0.708 9.230 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.772 1.137 8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.726 2.324 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.495 2.937 9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.830 1.515 11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.185 -0.174 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.577 0.265 11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.063 2.747 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.917 1.632 11.115 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.136 1.010 9.642 1.00 0.00 H new ATOM 626 N HIS A 36 -4.465 -1.517 8.078 1.00 0.00 N ATOM 627 CA HIS A 36 -5.480 -2.558 8.175 1.00 0.00 C ATOM 628 C HIS A 36 -4.970 -3.859 7.560 1.00 0.00 C ATOM 629 O HIS A 36 -5.079 -4.908 8.190 1.00 0.00 O ATOM 630 CB HIS A 36 -6.798 -2.100 7.547 1.00 0.00 C ATOM 631 CG HIS A 36 -7.626 -1.257 8.484 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.985 -1.515 8.671 1.00 0.00 N ATOM 633 CD2 HIS A 36 -7.261 -0.202 9.284 1.00 0.00 C ATOM 634 CE1 HIS A 36 -9.386 -0.606 9.565 1.00 0.00 C ATOM 635 NE2 HIS A 36 -8.392 0.203 9.963 1.00 0.00 N ATOM 0 H HIS A 36 -4.697 -0.759 7.436 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.683 -2.751 9.228 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.586 -1.530 6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.375 -2.974 7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.274 0.229 9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.400 -0.531 9.928 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.459 0.967 10.635 1.00 0.00 H new ATOM 643 N ALA A 37 -4.401 -3.784 6.352 1.00 0.00 N ATOM 644 CA ALA A 37 -3.797 -4.916 5.665 1.00 0.00 C ATOM 645 C ALA A 37 -2.864 -5.708 6.591 1.00 0.00 C ATOM 646 O ALA A 37 -3.142 -6.858 6.919 1.00 0.00 O ATOM 647 CB ALA A 37 -3.054 -4.394 4.433 1.00 0.00 C ATOM 0 H ALA A 37 -4.350 -2.915 5.820 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.578 -5.610 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.594 -5.229 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.757 -3.889 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.281 -3.692 4.745 1.00 0.00 H new ATOM 653 N ILE A 38 -1.772 -5.066 7.016 1.00 0.00 N ATOM 654 CA ILE A 38 -0.768 -5.558 7.951 1.00 0.00 C ATOM 655 C ILE A 38 -1.413 -6.151 9.206 1.00 0.00 C ATOM 656 O ILE A 38 -1.071 -7.267 9.594 1.00 0.00 O ATOM 657 CB ILE A 38 0.209 -4.400 8.269 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.359 -4.343 7.242 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.817 -4.460 9.677 1.00 0.00 C ATOM 660 CD1 ILE A 38 0.903 -4.258 5.779 1.00 0.00 C ATOM 0 H ILE A 38 -1.555 -4.124 6.690 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.206 -6.377 7.501 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.403 -3.500 8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.985 -3.479 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.982 -5.229 7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.489 -3.614 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.020 -4.419 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.374 -5.390 9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.776 -4.222 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.303 -5.134 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.306 -3.357 5.636 1.00 0.00 H new ATOM 672 N ARG A 39 -2.342 -5.416 9.835 1.00 0.00 N ATOM 673 CA ARG A 39 -3.018 -5.864 11.038 1.00 0.00 C ATOM 674 C ARG A 39 -3.813 -7.153 10.802 1.00 0.00 C ATOM 675 O ARG A 39 -3.852 -8.010 11.684 1.00 0.00 O ATOM 676 CB ARG A 39 -3.859 -4.705 11.587 1.00 0.00 C ATOM 677 CG ARG A 39 -4.388 -4.960 12.996 1.00 0.00 C ATOM 678 CD ARG A 39 -5.811 -5.530 13.009 1.00 0.00 C ATOM 679 NE ARG A 39 -6.205 -5.984 14.351 1.00 0.00 N ATOM 680 CZ ARG A 39 -6.631 -5.202 15.358 1.00 0.00 C ATOM 681 NH1 ARG A 39 -6.718 -3.871 15.211 1.00 0.00 N ATOM 682 NH2 ARG A 39 -6.972 -5.760 16.527 1.00 0.00 N ATOM 0 H ARG A 39 -2.639 -4.494 9.515 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.286 -6.136 11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.256 -3.797 11.591 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.700 -4.526 10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.721 -5.653 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.372 -4.027 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.511 -4.769 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.875 -6.364 12.310 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.150 -6.986 14.535 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.459 -3.438 14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.043 -3.293 15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.907 -6.771 16.648 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.296 -5.174 17.296 1.00 0.00 H new ATOM 696 N LEU A 40 -4.412 -7.309 9.617 1.00 0.00 N ATOM 697 CA LEU A 40 -5.203 -8.477 9.247 1.00 0.00 C ATOM 698 C LEU A 40 -4.431 -9.444 8.335 1.00 0.00 C ATOM 699 O LEU A 40 -5.051 -10.239 7.631 1.00 0.00 O ATOM 700 CB LEU A 40 -6.510 -8.000 8.609 1.00 0.00 C ATOM 701 CG LEU A 40 -7.324 -7.108 9.563 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.505 -6.546 8.780 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.855 -7.875 10.781 1.00 0.00 C ATOM 0 H LEU A 40 -4.357 -6.610 8.876 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.430 -9.051 10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.288 -7.447 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.109 -8.864 8.320 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.669 -6.322 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.103 -5.908 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.137 -5.961 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.121 -7.366 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.421 -7.197 11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.503 -8.685 10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.018 -8.289 11.344 1.00 0.00 H new ATOM 715 N GLY A 41 -3.091 -9.411 8.372 1.00 0.00 N ATOM 716 CA GLY A 41 -2.223 -10.356 7.679 1.00 0.00 C ATOM 717 C GLY A 41 -2.490 -10.432 6.175 1.00 0.00 C ATOM 718 O GLY A 41 -2.911 -11.473 5.674 1.00 0.00 O ATOM 0 H GLY A 41 -2.575 -8.707 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.184 -10.071 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.354 -11.346 8.115 1.00 0.00 H new ATOM 722 N ILE A 42 -2.219 -9.333 5.462 1.00 0.00 N ATOM 723 CA ILE A 42 -2.337 -9.225 4.013 1.00 0.00 C ATOM 724 C ILE A 42 -0.942 -8.976 3.443 1.00 0.00 C ATOM 725 O ILE A 42 -0.154 -8.219 4.010 1.00 0.00 O ATOM 726 CB ILE A 42 -3.319 -8.093 3.667 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.750 -8.394 4.137 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.322 -7.652 2.197 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.452 -9.519 3.376 1.00 0.00 C ATOM 0 H ILE A 42 -1.901 -8.467 5.898 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.732 -10.141 3.574 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.930 -7.244 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.723 -8.652 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.346 -7.486 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.048 -6.851 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.330 -7.294 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.591 -8.498 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.456 -9.659 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.517 -9.258 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.884 -10.443 3.487 1.00 0.00 H new ATOM 741 N LYS A 43 -0.653 -9.631 2.316 1.00 0.00 N ATOM 742 CA LYS A 43 0.593 -9.502 1.567 1.00 0.00 C ATOM 743 C LYS A 43 0.326 -8.592 0.369 1.00 0.00 C ATOM 744 O LYS A 43 -0.830 -8.342 0.040 1.00 0.00 O ATOM 745 CB LYS A 43 1.065 -10.873 1.080 1.00 0.00 C ATOM 746 CG LYS A 43 1.093 -11.912 2.209 1.00 0.00 C ATOM 747 CD LYS A 43 1.571 -13.269 1.682 1.00 0.00 C ATOM 748 CE LYS A 43 1.582 -14.336 2.785 1.00 0.00 C ATOM 749 NZ LYS A 43 0.236 -14.641 3.233 1.00 0.00 N ATOM 0 H LYS A 43 -1.305 -10.288 1.887 1.00 0.00 H new ATOM 0 HA LYS A 43 1.371 -9.081 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.406 -11.221 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.062 -10.780 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.754 -11.572 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.098 -12.014 2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.921 -13.593 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.573 -13.165 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.058 -15.243 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.178 -13.986 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.132 -14.367 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.450 -14.114 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.060 -15.661 3.134 1.00 0.00 H new ATOM 762 N GLY A 44 1.376 -8.121 -0.309 1.00 0.00 N ATOM 763 CA GLY A 44 1.202 -7.353 -1.529 1.00 0.00 C ATOM 764 C GLY A 44 2.379 -6.428 -1.803 1.00 0.00 C ATOM 765 O GLY A 44 3.516 -6.750 -1.464 1.00 0.00 O ATOM 0 H GLY A 44 2.347 -8.261 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.076 -8.035 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.288 -6.763 -1.457 1.00 0.00 H new ATOM 769 N TYR A 45 2.085 -5.267 -2.400 1.00 0.00 N ATOM 770 CA TYR A 45 2.996 -4.136 -2.501 1.00 0.00 C ATOM 771 C TYR A 45 2.216 -2.901 -2.961 1.00 0.00 C ATOM 772 O TYR A 45 1.227 -3.035 -3.681 1.00 0.00 O ATOM 773 CB TYR A 45 4.164 -4.435 -3.446 1.00 0.00 C ATOM 774 CG TYR A 45 5.399 -3.612 -3.157 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.478 -2.286 -3.611 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.412 -4.130 -2.328 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.503 -1.447 -3.153 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.497 -3.316 -1.958 1.00 0.00 C ATOM 779 CZ TYR A 45 7.516 -1.960 -2.323 1.00 0.00 C ATOM 780 OH TYR A 45 8.514 -1.149 -1.868 1.00 0.00 O ATOM 0 H TYR A 45 1.180 -5.090 -2.836 1.00 0.00 H new ATOM 0 HA TYR A 45 3.428 -3.944 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.417 -5.493 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.847 -4.252 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.748 -1.912 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.356 -5.150 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.515 -0.405 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.317 -3.734 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 45 8.945 -1.564 -1.092 1.00 0.00 H new ATOM 790 N ALA A 46 2.638 -1.708 -2.524 1.00 0.00 N ATOM 791 CA ALA A 46 1.974 -0.449 -2.834 1.00 0.00 C ATOM 792 C ALA A 46 2.912 0.413 -3.669 1.00 0.00 C ATOM 793 O ALA A 46 3.606 1.284 -3.146 1.00 0.00 O ATOM 794 CB ALA A 46 1.535 0.242 -1.542 1.00 0.00 C ATOM 0 H ALA A 46 3.464 -1.595 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 46 1.072 -0.625 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.039 1.183 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.844 -0.404 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.408 0.441 -0.921 1.00 0.00 H new ATOM 800 N LYS A 47 2.950 0.135 -4.972 1.00 0.00 N ATOM 801 CA LYS A 47 3.904 0.716 -5.897 1.00 0.00 C ATOM 802 C LYS A 47 3.337 2.040 -6.402 1.00 0.00 C ATOM 803 O LYS A 47 2.708 2.120 -7.456 1.00 0.00 O ATOM 804 CB LYS A 47 4.215 -0.314 -6.990 1.00 0.00 C ATOM 805 CG LYS A 47 4.894 0.254 -8.244 1.00 0.00 C ATOM 806 CD LYS A 47 5.793 -0.782 -8.929 1.00 0.00 C ATOM 807 CE LYS A 47 5.002 -1.981 -9.468 1.00 0.00 C ATOM 808 NZ LYS A 47 5.911 -2.947 -10.054 1.00 0.00 N ATOM 0 H LYS A 47 2.302 -0.515 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 47 4.859 0.953 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.856 -1.087 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.285 -0.798 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.133 0.594 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.488 1.126 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.330 -0.306 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.542 -1.134 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.434 -2.445 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.281 -1.647 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.370 -3.757 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.434 -2.502 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.582 -3.276 -9.331 1.00 0.00 H new ATOM 821 N ASN A 48 3.571 3.085 -5.606 1.00 0.00 N ATOM 822 CA ASN A 48 3.231 4.453 -5.935 1.00 0.00 C ATOM 823 C ASN A 48 4.215 4.994 -6.969 1.00 0.00 C ATOM 824 O ASN A 48 5.208 5.628 -6.623 1.00 0.00 O ATOM 825 CB ASN A 48 3.185 5.296 -4.650 1.00 0.00 C ATOM 826 CG ASN A 48 2.606 6.692 -4.885 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.103 7.450 -5.715 1.00 0.00 O ATOM 828 ND2 ASN A 48 1.542 7.040 -4.158 1.00 0.00 N ATOM 0 H ASN A 48 4.014 2.991 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 48 2.239 4.502 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.585 4.779 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.192 5.388 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.117 7.959 -4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.154 6.387 -3.477 1.00 0.00 H new ATOM 835 N LEU A 49 3.902 4.768 -8.249 1.00 0.00 N ATOM 836 CA LEU A 49 4.503 5.476 -9.357 1.00 0.00 C ATOM 837 C LEU A 49 4.012 6.919 -9.238 1.00 0.00 C ATOM 838 O LEU A 49 2.799 7.119 -9.185 1.00 0.00 O ATOM 839 CB LEU A 49 4.062 4.883 -10.707 1.00 0.00 C ATOM 840 CG LEU A 49 3.793 3.368 -10.713 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.282 3.117 -10.591 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.306 2.733 -12.011 1.00 0.00 C ATOM 0 H LEU A 49 3.212 4.075 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 49 5.590 5.403 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.156 5.396 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.832 5.100 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 49 4.317 2.918 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.090 2.044 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.916 3.548 -9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.767 3.581 -11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.106 1.662 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.798 3.185 -12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.379 2.901 -12.099 1.00 0.00 H new ATOM 854 N PRO A 50 4.895 7.924 -9.148 1.00 0.00 N ATOM 855 CA PRO A 50 4.497 9.295 -8.885 1.00 0.00 C ATOM 856 C PRO A 50 3.950 9.973 -10.150 1.00 0.00 C ATOM 857 O PRO A 50 4.565 10.887 -10.694 1.00 0.00 O ATOM 858 CB PRO A 50 5.747 9.961 -8.310 1.00 0.00 C ATOM 859 CG PRO A 50 6.887 9.212 -9.002 1.00 0.00 C ATOM 860 CD PRO A 50 6.340 7.785 -9.095 1.00 0.00 C ATOM 0 HA PRO A 50 3.670 9.371 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.773 11.028 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.796 9.858 -7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.107 9.627 -9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.810 9.256 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.718 7.277 -9.982 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.645 7.191 -8.234 1.00 0.00 H new ATOM 868 N ASP A 51 2.769 9.526 -10.596 1.00 0.00 N ATOM 869 CA ASP A 51 2.021 10.096 -11.707 1.00 0.00 C ATOM 870 C ASP A 51 0.552 9.676 -11.572 1.00 0.00 C ATOM 871 O ASP A 51 -0.024 9.081 -12.482 1.00 0.00 O ATOM 872 CB ASP A 51 2.643 9.651 -13.042 1.00 0.00 C ATOM 873 CG ASP A 51 1.923 10.238 -14.258 1.00 0.00 C ATOM 874 OD1 ASP A 51 1.499 11.391 -14.218 1.00 0.00 O ATOM 875 OD2 ASP A 51 1.793 9.406 -15.330 1.00 0.00 O ATOM 0 H ASP A 51 2.297 8.727 -10.172 1.00 0.00 H new ATOM 0 HA ASP A 51 2.066 11.185 -11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.691 9.950 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.621 8.563 -13.103 1.00 0.00 H new ATOM 881 N GLY A 52 -0.058 9.987 -10.421 1.00 0.00 N ATOM 882 CA GLY A 52 -1.481 9.799 -10.181 1.00 0.00 C ATOM 883 C GLY A 52 -1.854 8.361 -9.810 1.00 0.00 C ATOM 884 O GLY A 52 -2.513 8.132 -8.798 1.00 0.00 O ATOM 0 H GLY A 52 0.438 10.382 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.797 10.466 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.033 10.090 -11.074 1.00 0.00 H new ATOM 888 N SER A 53 -1.490 7.396 -10.661 1.00 0.00 N ATOM 889 CA SER A 53 -2.079 6.064 -10.663 1.00 0.00 C ATOM 890 C SER A 53 -1.272 5.064 -9.833 1.00 0.00 C ATOM 891 O SER A 53 -0.732 4.098 -10.372 1.00 0.00 O ATOM 892 CB SER A 53 -2.212 5.593 -12.110 1.00 0.00 C ATOM 893 OG SER A 53 -2.781 6.600 -12.916 1.00 0.00 O ATOM 0 H SER A 53 -0.771 7.525 -11.373 1.00 0.00 H new ATOM 0 HA SER A 53 -3.061 6.119 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.231 5.320 -12.500 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.831 4.697 -12.150 1.00 0.00 H new ATOM 0 HG SER A 53 -3.748 6.457 -12.984 1.00 0.00 H new ATOM 899 N VAL A 54 -1.227 5.273 -8.516 1.00 0.00 N ATOM 900 CA VAL A 54 -0.576 4.355 -7.586 1.00 0.00 C ATOM 901 C VAL A 54 -1.284 3.003 -7.594 1.00 0.00 C ATOM 902 O VAL A 54 -2.460 2.908 -7.244 1.00 0.00 O ATOM 903 CB VAL A 54 -0.446 4.945 -6.167 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.648 5.759 -5.695 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.164 3.856 -5.117 1.00 0.00 C ATOM 0 H VAL A 54 -1.643 6.088 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 54 0.447 4.200 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 54 0.399 5.628 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.462 6.131 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.805 6.600 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.536 5.127 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.080 4.314 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.981 3.134 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.768 3.347 -5.362 1.00 0.00 H new ATOM 915 N GLU A 55 -0.549 1.954 -7.987 1.00 0.00 N ATOM 916 CA GLU A 55 -1.065 0.600 -7.991 1.00 0.00 C ATOM 917 C GLU A 55 -0.757 -0.079 -6.663 1.00 0.00 C ATOM 918 O GLU A 55 0.402 -0.220 -6.274 1.00 0.00 O ATOM 919 CB GLU A 55 -0.550 -0.189 -9.197 1.00 0.00 C ATOM 920 CG GLU A 55 0.932 -0.581 -9.170 1.00 0.00 C ATOM 921 CD GLU A 55 1.388 -1.129 -10.518 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.710 -0.352 -11.415 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.379 -2.488 -10.643 1.00 0.00 O ATOM 0 H GLU A 55 0.416 2.031 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.149 0.633 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.143 -1.099 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.731 0.402 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.535 0.288 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.097 -1.331 -8.396 1.00 0.00 H new ATOM 931 N VAL A 56 -1.819 -0.512 -5.986 1.00 0.00 N ATOM 932 CA VAL A 56 -1.752 -1.446 -4.882 1.00 0.00 C ATOM 933 C VAL A 56 -2.027 -2.834 -5.455 1.00 0.00 C ATOM 934 O VAL A 56 -2.778 -2.974 -6.417 1.00 0.00 O ATOM 935 CB VAL A 56 -2.767 -1.047 -3.799 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.789 -2.066 -2.655 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.423 0.329 -3.213 1.00 0.00 C ATOM 0 H VAL A 56 -2.770 -0.211 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.773 -1.441 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.747 -1.015 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.517 -1.756 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.066 -3.045 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.800 -2.123 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.154 0.592 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.428 0.297 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.442 1.077 -4.006 1.00 0.00 H new ATOM 947 N VAL A 57 -1.403 -3.857 -4.868 1.00 0.00 N ATOM 948 CA VAL A 57 -1.621 -5.246 -5.233 1.00 0.00 C ATOM 949 C VAL A 57 -1.647 -6.081 -3.954 1.00 0.00 C ATOM 950 O VAL A 57 -0.775 -6.907 -3.704 1.00 0.00 O ATOM 951 CB VAL A 57 -0.623 -5.663 -6.330 1.00 0.00 C ATOM 952 CG1 VAL A 57 0.845 -5.397 -5.980 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.835 -7.108 -6.797 1.00 0.00 C ATOM 0 H VAL A 57 -0.724 -3.736 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.591 -5.419 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.850 -5.006 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.480 -5.719 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.990 -4.331 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.111 -5.951 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.106 -7.351 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.708 -7.786 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.842 -7.216 -7.201 1.00 0.00 H new ATOM 963 N ALA A 58 -2.686 -5.837 -3.145 1.00 0.00 N ATOM 964 CA ALA A 58 -2.968 -6.543 -1.903 1.00 0.00 C ATOM 965 C ALA A 58 -3.448 -7.961 -2.197 1.00 0.00 C ATOM 966 O ALA A 58 -3.921 -8.234 -3.300 1.00 0.00 O ATOM 967 CB ALA A 58 -4.042 -5.775 -1.127 1.00 0.00 C ATOM 0 H ALA A 58 -3.375 -5.114 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.058 -6.606 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.260 -6.296 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.682 -4.770 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.949 -5.711 -1.728 1.00 0.00 H new ATOM 973 N GLU A 59 -3.307 -8.863 -1.217 1.00 0.00 N ATOM 974 CA GLU A 59 -3.647 -10.264 -1.399 1.00 0.00 C ATOM 975 C GLU A 59 -4.351 -10.791 -0.149 1.00 0.00 C ATOM 976 O GLU A 59 -3.731 -10.814 0.913 1.00 0.00 O ATOM 977 CB GLU A 59 -2.367 -11.079 -1.650 1.00 0.00 C ATOM 978 CG GLU A 59 -1.545 -10.576 -2.844 1.00 0.00 C ATOM 979 CD GLU A 59 -0.416 -11.545 -3.184 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.405 -11.845 -2.321 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.410 -12.037 -4.456 1.00 0.00 O ATOM 0 H GLU A 59 -2.956 -8.636 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.313 -10.362 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.746 -11.051 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.637 -12.122 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.195 -10.453 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.129 -9.595 -2.615 1.00 0.00 H new ATOM 989 N GLY A 60 -5.620 -11.211 -0.253 1.00 0.00 N ATOM 990 CA GLY A 60 -6.433 -11.530 0.912 1.00 0.00 C ATOM 991 C GLY A 60 -7.372 -12.716 0.724 1.00 0.00 C ATOM 992 O GLY A 60 -7.685 -13.119 -0.397 1.00 0.00 O ATOM 0 H GLY A 60 -6.102 -11.336 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.773 -11.736 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.024 -10.654 1.177 1.00 0.00 H new ATOM 996 N TYR A 61 -7.791 -13.272 1.868 1.00 0.00 N ATOM 997 CA TYR A 61 -8.651 -14.434 1.993 1.00 0.00 C ATOM 998 C TYR A 61 -10.091 -14.048 1.630 1.00 0.00 C ATOM 999 O TYR A 61 -10.472 -14.113 0.462 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.554 -14.967 3.438 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.455 -15.966 3.751 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.151 -15.510 4.016 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.795 -17.303 4.039 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.217 -16.361 4.634 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.859 -18.156 4.651 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.581 -17.673 4.977 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.695 -18.471 5.639 1.00 0.00 O ATOM 0 H TYR A 61 -7.519 -12.895 2.776 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.336 -15.222 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.429 -14.112 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.509 -15.429 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.866 -14.504 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.778 -17.674 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.219 -16.005 4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.122 -19.180 4.870 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.102 -19.347 5.802 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.895 -13.688 2.640 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.340 -13.537 2.552 1.00 0.00 C ATOM 1019 C GLU A 62 -12.784 -12.558 3.634 1.00 0.00 C ATOM 1020 O GLU A 62 -13.069 -11.402 3.338 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.027 -14.890 2.759 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.827 -15.871 1.597 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.670 -17.136 1.745 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.257 -17.365 2.802 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -13.709 -17.948 0.651 1.00 0.00 O ATOM 0 H GLU A 62 -10.535 -13.488 3.573 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.616 -13.161 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.647 -15.344 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.095 -14.726 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.083 -15.376 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.774 -16.146 1.535 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.827 -12.999 4.897 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.063 -12.106 6.015 1.00 0.00 C ATOM 1035 C GLU A 63 -12.034 -10.970 5.994 1.00 0.00 C ATOM 1036 O GLU A 63 -12.405 -9.798 6.022 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.113 -12.922 7.317 1.00 0.00 C ATOM 1038 CG GLU A 63 -11.849 -13.713 7.701 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.757 -12.881 8.374 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -9.583 -13.209 8.220 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -11.162 -11.804 9.107 1.00 0.00 O ATOM 0 H GLU A 63 -12.700 -13.976 5.161 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.033 -11.615 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.346 -12.240 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.942 -13.626 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.134 -14.524 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.436 -14.171 6.802 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.748 -11.316 5.843 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.676 -10.341 5.704 1.00 0.00 C ATOM 1051 C ALA A 64 -9.799 -9.543 4.405 1.00 0.00 C ATOM 1052 O ALA A 64 -9.383 -8.385 4.369 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.316 -11.037 5.791 1.00 0.00 C ATOM 0 H ALA A 64 -10.429 -12.284 5.815 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.761 -9.630 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.522 -10.298 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.223 -11.535 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.233 -11.775 4.993 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.384 -10.140 3.356 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.638 -9.424 2.113 1.00 0.00 C ATOM 1061 C LEU A 65 -11.618 -8.282 2.393 1.00 0.00 C ATOM 1062 O LEU A 65 -11.238 -7.117 2.321 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.119 -10.379 1.016 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.234 -9.694 -0.345 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.867 -9.363 -0.956 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.979 -10.635 -1.283 1.00 0.00 C ATOM 0 H LEU A 65 -10.687 -11.114 3.351 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.714 -8.987 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.427 -11.218 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.089 -10.790 1.296 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.764 -8.751 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.008 -8.878 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.323 -8.694 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.297 -10.282 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.075 -10.170 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.425 -11.569 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.971 -10.841 -0.880 1.00 0.00 H new ATOM 1078 N SER A 66 -12.858 -8.632 2.752 1.00 0.00 N ATOM 1079 CA SER A 66 -13.936 -7.720 3.112 1.00 0.00 C ATOM 1080 C SER A 66 -13.482 -6.614 4.057 1.00 0.00 C ATOM 1081 O SER A 66 -13.831 -5.461 3.835 1.00 0.00 O ATOM 1082 CB SER A 66 -15.089 -8.511 3.731 1.00 0.00 C ATOM 1083 OG SER A 66 -16.200 -7.667 3.965 1.00 0.00 O ATOM 0 H SER A 66 -13.146 -9.609 2.800 1.00 0.00 H new ATOM 0 HA SER A 66 -14.269 -7.229 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.377 -9.325 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.765 -8.964 4.668 1.00 0.00 H new ATOM 0 HG SER A 66 -15.995 -7.052 4.700 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.728 -6.947 5.110 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.306 -5.967 6.103 1.00 0.00 C ATOM 1091 C LYS A 67 -11.391 -4.895 5.496 1.00 0.00 C ATOM 1092 O LYS A 67 -11.585 -3.713 5.773 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.673 -6.654 7.323 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.679 -6.838 8.469 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.821 -7.804 8.131 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.861 -7.825 9.254 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.911 -8.771 8.931 1.00 0.00 N ATOM 0 H LYS A 67 -12.398 -7.895 5.293 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.197 -5.445 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.279 -7.626 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.828 -6.062 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.152 -7.205 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.100 -5.868 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.294 -7.503 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.423 -8.807 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.387 -8.101 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.284 -6.830 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.615 -8.782 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.370 -8.489 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.501 -9.721 8.823 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.419 -5.287 4.664 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.508 -4.367 3.990 1.00 0.00 C ATOM 1112 C LEU A 68 -10.189 -3.681 2.792 1.00 0.00 C ATOM 1113 O LEU A 68 -9.811 -2.572 2.421 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.245 -5.166 3.642 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.044 -4.444 3.012 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.104 -4.465 1.488 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.794 -3.019 3.504 1.00 0.00 C ATOM 0 H LEU A 68 -10.244 -6.267 4.440 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.221 -3.534 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.896 -5.642 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.540 -5.964 2.961 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.191 -5.027 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.237 -3.944 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.104 -5.497 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.015 -3.969 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.924 -2.605 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.667 -2.402 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.613 -3.032 4.579 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.237 -4.285 2.218 1.00 0.00 N ATOM 1130 CA LEU A 69 -12.054 -3.651 1.197 1.00 0.00 C ATOM 1131 C LEU A 69 -12.897 -2.525 1.796 1.00 0.00 C ATOM 1132 O LEU A 69 -12.747 -1.372 1.398 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.929 -4.701 0.492 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.421 -5.103 -0.898 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.597 -3.960 -1.904 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.967 -5.577 -0.890 1.00 0.00 C ATOM 0 H LEU A 69 -11.536 -5.231 2.455 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.399 -3.202 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.986 -5.591 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.943 -4.311 0.399 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.033 -5.950 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.228 -4.274 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.653 -3.703 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.035 -3.089 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.667 -5.847 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.325 -4.776 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.871 -6.446 -0.239 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.784 -2.852 2.740 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.738 -1.915 3.317 1.00 0.00 C ATOM 1150 C GLU A 70 -14.020 -0.746 4.002 1.00 0.00 C ATOM 1151 O GLU A 70 -14.460 0.393 3.884 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.709 -2.669 4.239 1.00 0.00 C ATOM 1153 CG GLU A 70 -15.099 -3.063 5.590 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.997 -4.030 6.357 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -16.514 -3.666 7.411 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.163 -5.266 5.807 1.00 0.00 O ATOM 0 H GLU A 70 -13.856 -3.793 3.128 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.336 -1.463 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.586 -2.046 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.054 -3.569 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.124 -3.523 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.934 -2.168 6.189 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.879 -1.030 4.649 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.878 -0.068 5.103 1.00 0.00 C ATOM 1166 C ARG A 71 -11.705 1.088 4.113 1.00 0.00 C ATOM 1167 O ARG A 71 -11.728 2.246 4.520 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.570 -0.843 5.333 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.243 -0.127 5.058 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.915 1.056 5.973 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.761 1.775 5.422 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.829 2.600 4.364 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -9.000 3.091 3.946 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.715 2.930 3.706 1.00 0.00 N ATOM 0 H ARG A 71 -12.622 -1.990 4.879 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.198 0.402 6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.559 -1.176 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.600 -1.738 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.437 -0.856 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.252 0.228 4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.774 1.723 6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.694 0.704 6.981 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.854 1.641 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.861 2.840 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.033 3.716 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.815 2.556 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.764 3.556 2.902 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.525 0.784 2.823 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.326 1.789 1.785 1.00 0.00 C ATOM 1190 C ILE A 72 -12.642 2.517 1.500 1.00 0.00 C ATOM 1191 O ILE A 72 -12.734 3.720 1.732 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.673 1.178 0.532 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.284 0.608 0.877 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.519 2.243 -0.567 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.853 -0.437 -0.157 1.00 0.00 C ATOM 0 H ILE A 72 -11.514 -0.174 2.472 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.621 2.541 2.140 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.317 0.376 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.553 1.416 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.307 0.157 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.056 1.795 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.500 2.635 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.891 3.056 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.869 -0.826 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.574 -1.254 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.808 0.024 -1.144 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.636 1.791 0.980 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.891 2.359 0.498 1.00 0.00 C ATOM 1209 C LYS A 73 -15.558 3.234 1.566 1.00 0.00 C ATOM 1210 O LYS A 73 -15.909 4.380 1.294 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.845 1.246 0.018 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.517 0.713 -1.391 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.486 -0.430 -1.406 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.605 -0.428 -2.663 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.768 0.754 -2.702 1.00 0.00 N ATOM 0 H LYS A 73 -13.587 0.777 0.882 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.661 3.001 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.810 0.419 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.866 1.627 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.437 0.364 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.141 1.535 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.851 -0.350 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.009 -1.384 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.981 -1.322 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.233 -0.464 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.956 1.284 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.979 1.356 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.767 0.472 -2.677 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.725 2.690 2.778 1.00 0.00 N ATOM 1229 CA GLN A 74 -16.376 3.366 3.893 1.00 0.00 C ATOM 1230 C GLN A 74 -15.453 4.396 4.559 1.00 0.00 C ATOM 1231 O GLN A 74 -15.942 5.411 5.053 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.875 2.313 4.896 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.669 2.894 6.074 1.00 0.00 C ATOM 1234 CD GLN A 74 -18.897 3.688 5.629 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -19.949 3.113 5.365 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -18.767 5.013 5.554 1.00 0.00 N ATOM 0 H GLN A 74 -15.403 1.750 3.009 1.00 0.00 H new ATOM 0 HA GLN A 74 -17.229 3.929 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.502 1.594 4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.018 1.764 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.985 2.082 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.017 3.541 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.875 5.452 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.560 5.588 5.269 1.00 0.00 H new ATOM 1245 N GLY A 75 -14.138 4.135 4.592 1.00 0.00 N ATOM 1246 CA GLY A 75 -13.145 4.987 5.234 1.00 0.00 C ATOM 1247 C GLY A 75 -12.247 5.654 4.188 1.00 0.00 C ATOM 1248 O GLY A 75 -11.179 5.119 3.890 1.00 0.00 O ATOM 0 H GLY A 75 -13.733 3.304 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.645 5.750 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.537 4.394 5.918 1.00 0.00 H new ATOM 1252 N PRO A 76 -12.644 6.808 3.621 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.895 7.469 2.560 1.00 0.00 C ATOM 1254 C PRO A 76 -10.564 8.028 3.082 1.00 0.00 C ATOM 1255 O PRO A 76 -10.428 8.282 4.279 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.811 8.585 2.049 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.647 8.929 3.279 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.847 7.563 3.932 1.00 0.00 C ATOM 0 HA PRO A 76 -11.629 6.775 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.242 9.444 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.433 8.249 1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.130 9.624 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.596 9.393 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.984 7.658 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.735 7.066 3.541 1.00 0.00 H new ATOM 1266 N PRO A 77 -9.573 8.217 2.196 1.00 0.00 N ATOM 1267 CA PRO A 77 -8.240 8.678 2.552 1.00 0.00 C ATOM 1268 C PRO A 77 -8.201 10.193 2.756 1.00 0.00 C ATOM 1269 O PRO A 77 -9.166 10.896 2.462 1.00 0.00 O ATOM 1270 CB PRO A 77 -7.367 8.272 1.364 1.00 0.00 C ATOM 1271 CG PRO A 77 -8.329 8.429 0.186 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.641 7.916 0.775 1.00 0.00 C ATOM 0 HA PRO A 77 -7.901 8.245 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.492 8.915 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.002 7.249 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.407 9.466 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.014 7.844 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.497 8.405 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.755 6.845 0.606 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.054 10.691 3.235 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.816 12.105 3.478 1.00 0.00 C ATOM 1282 C ALA A 78 -6.230 12.807 2.244 1.00 0.00 C ATOM 1283 O ALA A 78 -5.523 13.804 2.386 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.907 12.247 4.703 1.00 0.00 C ATOM 0 H ALA A 78 -6.253 10.103 3.467 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.766 12.600 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.720 13.303 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.392 11.799 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.961 11.740 4.515 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.527 12.301 1.037 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.126 12.885 -0.230 1.00 0.00 C ATOM 1292 C ALA A 79 -7.311 12.873 -1.193 1.00 0.00 C ATOM 1293 O ALA A 79 -8.283 12.148 -0.984 1.00 0.00 O ATOM 1294 CB ALA A 79 -4.984 12.062 -0.809 1.00 0.00 C ATOM 0 H ALA A 79 -7.071 11.446 0.924 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.799 13.914 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.673 12.491 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.143 12.069 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.317 11.036 -0.964 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.202 13.661 -2.269 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.200 13.716 -3.325 1.00 0.00 C ATOM 1302 C GLU A 80 -8.041 12.478 -4.212 1.00 0.00 C ATOM 1303 O GLU A 80 -7.435 12.542 -5.280 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.068 15.046 -4.094 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.353 15.458 -4.829 1.00 0.00 C ATOM 1306 CD GLU A 80 -9.857 14.392 -5.794 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -9.333 14.272 -6.900 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.877 13.619 -5.329 1.00 0.00 O ATOM 0 H GLU A 80 -6.408 14.282 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.211 13.697 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.790 15.835 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.257 14.960 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.131 15.673 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.170 16.381 -5.380 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.609 11.350 -3.768 1.00 0.00 N ATOM 1317 CA VAL A 81 -8.723 10.151 -4.581 1.00 0.00 C ATOM 1318 C VAL A 81 -9.697 10.439 -5.723 1.00 0.00 C ATOM 1319 O VAL A 81 -10.835 10.850 -5.503 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.102 8.938 -3.712 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.558 8.951 -3.232 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -8.807 7.621 -4.440 1.00 0.00 C ATOM 0 H VAL A 81 -9.001 11.251 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.766 9.883 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.476 9.014 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.749 8.065 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.736 9.845 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.225 8.952 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.085 6.782 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.383 7.580 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.743 7.564 -4.672 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.213 10.267 -6.951 1.00 0.00 N ATOM 1333 CA GLU A 82 -9.974 10.488 -8.164 1.00 0.00 C ATOM 1334 C GLU A 82 -10.961 9.332 -8.298 1.00 0.00 C ATOM 1335 O GLU A 82 -12.169 9.548 -8.350 1.00 0.00 O ATOM 1336 CB GLU A 82 -8.981 10.581 -9.328 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.649 10.701 -10.702 1.00 0.00 C ATOM 1338 CD GLU A 82 -8.607 10.579 -11.811 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -8.586 9.569 -12.511 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -7.740 11.623 -11.935 1.00 0.00 O ATOM 0 H GLU A 82 -8.256 9.962 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.548 11.415 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.333 11.444 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.343 9.697 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.404 9.923 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.164 11.659 -10.781 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.427 8.107 -8.313 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.193 6.872 -8.377 1.00 0.00 C ATOM 1350 C LYS A 83 -10.258 5.701 -8.082 1.00 0.00 C ATOM 1351 O LYS A 83 -9.108 5.728 -8.503 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.853 6.717 -9.761 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.839 6.629 -10.911 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.565 6.686 -12.259 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.589 6.604 -13.439 1.00 0.00 C ATOM 1356 NZ LYS A 83 -9.973 5.292 -13.506 1.00 0.00 N ATOM 0 H LYS A 83 -9.420 7.950 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.991 6.893 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.472 5.820 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.518 7.563 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.124 7.449 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.270 5.702 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.279 5.865 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.137 7.612 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.118 6.811 -14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.819 7.368 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.732 5.072 -14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.108 5.285 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.637 4.578 -13.144 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.731 4.675 -7.372 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.019 3.409 -7.264 1.00 0.00 C ATOM 1371 C VAL A 84 -10.700 2.383 -8.170 1.00 0.00 C ATOM 1372 O VAL A 84 -11.735 1.821 -7.818 1.00 0.00 O ATOM 1373 CB VAL A 84 -9.857 2.969 -5.801 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.116 3.137 -4.948 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.321 1.532 -5.745 1.00 0.00 C ATOM 0 H VAL A 84 -11.613 4.702 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.994 3.518 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.131 3.646 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.913 2.803 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.408 4.187 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.925 2.541 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.208 1.226 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.020 0.863 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.353 1.485 -6.244 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.119 2.157 -9.353 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.657 1.255 -10.357 1.00 0.00 C ATOM 1387 C ASP A 85 -10.025 -0.120 -10.148 1.00 0.00 C ATOM 1388 O ASP A 85 -9.118 -0.508 -10.884 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.369 1.836 -11.747 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.872 0.930 -12.867 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.043 0.558 -12.865 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.954 0.587 -13.814 1.00 0.00 O ATOM 0 H ASP A 85 -9.248 2.606 -9.637 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.738 1.144 -10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.841 2.815 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.296 1.988 -11.860 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.473 -0.836 -9.110 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.831 -2.074 -8.695 1.00 0.00 C ATOM 1400 C TYR A 86 -10.218 -3.256 -9.584 1.00 0.00 C ATOM 1401 O TYR A 86 -11.227 -3.216 -10.285 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.089 -2.356 -7.206 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.510 -2.738 -6.844 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.446 -1.737 -6.530 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.873 -4.094 -6.733 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.742 -2.086 -6.117 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.166 -4.443 -6.306 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.100 -3.439 -5.993 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.351 -3.773 -5.565 1.00 0.00 O ATOM 0 H TYR A 86 -11.280 -0.572 -8.545 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.756 -1.942 -8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.424 -3.159 -6.887 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.814 -1.469 -6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.167 -0.696 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.158 -4.866 -6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.464 -1.314 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.443 -5.483 -6.218 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.437 -4.749 -5.536 1.00 0.00 H new ATOM 1419 N SER A 87 -9.390 -4.306 -9.541 1.00 0.00 N ATOM 1420 CA SER A 87 -9.535 -5.532 -10.305 1.00 0.00 C ATOM 1421 C SER A 87 -9.277 -6.737 -9.396 1.00 0.00 C ATOM 1422 O SER A 87 -8.141 -6.999 -9.003 1.00 0.00 O ATOM 1423 CB SER A 87 -8.577 -5.522 -11.501 1.00 0.00 C ATOM 1424 OG SER A 87 -8.784 -4.368 -12.289 1.00 0.00 O ATOM 0 H SER A 87 -8.565 -4.316 -8.942 1.00 0.00 H new ATOM 0 HA SER A 87 -10.552 -5.605 -10.691 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.546 -5.549 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.731 -6.416 -12.106 1.00 0.00 H new ATOM 0 HG SER A 87 -8.164 -4.375 -13.048 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.342 -7.482 -9.088 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.265 -8.770 -8.414 1.00 0.00 C ATOM 1432 C PHE A 88 -9.610 -9.774 -9.372 1.00 0.00 C ATOM 1433 O PHE A 88 -10.127 -10.007 -10.465 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.677 -9.175 -7.935 1.00 0.00 C ATOM 1435 CG PHE A 88 -12.090 -10.625 -8.128 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.285 -11.663 -7.625 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -13.303 -10.939 -8.770 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.672 -13.005 -7.786 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -13.698 -12.280 -8.922 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.882 -13.314 -8.432 1.00 0.00 C ATOM 0 H PHE A 88 -11.297 -7.197 -9.306 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.643 -8.734 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.753 -8.941 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.402 -8.546 -8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.364 -11.428 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.933 -10.147 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.040 -13.798 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.629 -12.516 -9.416 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.184 -14.344 -8.551 1.00 0.00 H new ATOM 1450 N SER A 89 -8.464 -10.340 -8.965 1.00 0.00 N ATOM 1451 CA SER A 89 -7.694 -11.309 -9.737 1.00 0.00 C ATOM 1452 C SER A 89 -7.265 -12.482 -8.849 1.00 0.00 C ATOM 1453 O SER A 89 -7.539 -12.493 -7.651 1.00 0.00 O ATOM 1454 CB SER A 89 -6.460 -10.625 -10.341 1.00 0.00 C ATOM 1455 OG SER A 89 -6.790 -9.370 -10.902 1.00 0.00 O ATOM 0 H SER A 89 -8.041 -10.125 -8.062 1.00 0.00 H new ATOM 0 HA SER A 89 -8.319 -11.696 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.701 -10.493 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.026 -11.266 -11.109 1.00 0.00 H new ATOM 0 HG SER A 89 -5.984 -8.957 -11.277 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.557 -13.454 -9.436 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.925 -14.552 -8.718 1.00 0.00 C ATOM 1463 C GLU A 90 -4.419 -14.325 -8.637 1.00 0.00 C ATOM 1464 O GLU A 90 -3.787 -13.944 -9.620 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.219 -15.888 -9.409 1.00 0.00 C ATOM 1466 CG GLU A 90 -7.686 -16.302 -9.262 1.00 0.00 C ATOM 1467 CD GLU A 90 -8.106 -16.473 -7.803 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -9.043 -15.808 -7.363 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -7.381 -17.363 -7.070 1.00 0.00 O ATOM 0 H GLU A 90 -6.408 -13.494 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.335 -14.587 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.969 -15.811 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.580 -16.663 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.320 -15.551 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.850 -17.238 -9.795 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.867 -14.568 -7.446 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.456 -14.525 -7.111 1.00 0.00 C ATOM 1479 C TYR A 91 -1.599 -15.368 -8.054 1.00 0.00 C ATOM 1480 O TYR A 91 -1.973 -16.488 -8.402 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.317 -14.984 -5.652 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.527 -16.472 -5.413 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.807 -17.048 -5.532 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.430 -17.292 -5.085 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.997 -18.416 -5.291 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.618 -18.664 -4.845 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.904 -19.227 -4.943 1.00 0.00 C ATOM 1488 OH TYR A 91 -3.096 -20.556 -4.700 1.00 0.00 O ATOM 0 H TYR A 91 -4.440 -14.816 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.085 -13.507 -7.229 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.323 -14.713 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.034 -14.431 -5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.648 -16.431 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.440 -16.865 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.984 -18.847 -5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.775 -19.287 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.239 -20.974 -4.473 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.431 -14.836 -8.433 1.00 0.00 N ATOM 1499 CA LYS A 92 0.617 -15.617 -9.074 1.00 0.00 C ATOM 1500 C LYS A 92 1.354 -16.394 -7.984 1.00 0.00 C ATOM 1501 O LYS A 92 1.557 -17.601 -8.104 1.00 0.00 O ATOM 1502 CB LYS A 92 1.577 -14.701 -9.848 1.00 0.00 C ATOM 1503 CG LYS A 92 2.705 -15.473 -10.553 1.00 0.00 C ATOM 1504 CD LYS A 92 2.164 -16.435 -11.621 1.00 0.00 C ATOM 1505 CE LYS A 92 3.299 -17.090 -12.416 1.00 0.00 C ATOM 1506 NZ LYS A 92 2.740 -18.031 -13.371 1.00 0.00 N ATOM 0 H LYS A 92 -0.192 -13.853 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 92 0.187 -16.311 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.013 -14.135 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.014 -13.977 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.393 -14.766 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.276 -16.035 -9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.560 -17.207 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.508 -15.892 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.879 -16.328 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.982 -17.604 -11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.509 -18.476 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.204 -18.764 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.105 -17.528 -14.023 1.00 0.00 H new ATOM 1519 N GLY A 93 1.734 -15.680 -6.921 1.00 0.00 N ATOM 1520 CA GLY A 93 2.384 -16.222 -5.747 1.00 0.00 C ATOM 1521 C GLY A 93 2.022 -15.378 -4.526 1.00 0.00 C ATOM 1522 O GLY A 93 1.299 -14.387 -4.634 1.00 0.00 O ATOM 0 H GLY A 93 1.587 -14.672 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.075 -17.256 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.465 -16.231 -5.888 1.00 0.00 H new ATOM 1526 N GLU A 94 2.551 -15.778 -3.366 1.00 0.00 N ATOM 1527 CA GLU A 94 2.467 -15.038 -2.122 1.00 0.00 C ATOM 1528 C GLU A 94 3.586 -14.000 -2.117 1.00 0.00 C ATOM 1529 O GLU A 94 4.768 -14.340 -2.117 1.00 0.00 O ATOM 1530 CB GLU A 94 2.500 -15.982 -0.911 1.00 0.00 C ATOM 1531 CG GLU A 94 3.719 -16.907 -0.821 1.00 0.00 C ATOM 1532 CD GLU A 94 3.624 -17.817 0.400 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.335 -19.002 0.250 1.00 0.00 O ATOM 1534 OE2 GLU A 94 3.878 -17.228 1.603 1.00 0.00 O ATOM 0 H GLU A 94 3.064 -16.655 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 94 1.513 -14.516 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.456 -15.380 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.601 -16.598 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.789 -17.512 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.630 -16.311 -0.765 1.00 0.00 H new ATOM 1542 N PHE A 95 3.206 -12.724 -2.177 1.00 0.00 N ATOM 1543 CA PHE A 95 4.146 -11.624 -2.278 1.00 0.00 C ATOM 1544 C PHE A 95 4.890 -11.497 -0.948 1.00 0.00 C ATOM 1545 O PHE A 95 4.288 -11.640 0.114 1.00 0.00 O ATOM 1546 CB PHE A 95 3.407 -10.329 -2.636 1.00 0.00 C ATOM 1547 CG PHE A 95 2.931 -10.163 -4.076 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.616 -11.267 -4.899 1.00 0.00 C ATOM 1549 CD2 PHE A 95 2.807 -8.863 -4.604 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.112 -11.070 -6.196 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.337 -8.671 -5.913 1.00 0.00 C ATOM 1552 CZ PHE A 95 1.964 -9.769 -6.701 1.00 0.00 C ATOM 0 H PHE A 95 2.230 -12.430 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 95 4.869 -11.814 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.538 -10.247 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.063 -9.491 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.764 -12.271 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.075 -8.010 -3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.839 -11.920 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.262 -7.672 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.564 -9.614 -7.692 1.00 0.00 H new ATOM 1562 N GLU A 96 6.205 -11.270 -1.006 1.00 0.00 N ATOM 1563 CA GLU A 96 7.060 -11.204 0.160 1.00 0.00 C ATOM 1564 C GLU A 96 6.728 -9.960 0.990 1.00 0.00 C ATOM 1565 O GLU A 96 7.299 -8.896 0.761 1.00 0.00 O ATOM 1566 CB GLU A 96 8.526 -11.218 -0.297 1.00 0.00 C ATOM 1567 CG GLU A 96 8.852 -12.436 -1.174 1.00 0.00 C ATOM 1568 CD GLU A 96 8.694 -13.751 -0.420 1.00 0.00 C ATOM 1569 OE1 GLU A 96 7.691 -14.437 -0.606 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.707 -14.079 0.431 1.00 0.00 O ATOM 0 H GLU A 96 6.704 -11.126 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 96 6.892 -12.069 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.740 -10.305 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.177 -11.218 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.198 -12.439 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.874 -12.352 -1.543 1.00 0.00 H new ATOM 1578 N ASP A 97 5.797 -10.108 1.945 1.00 0.00 N ATOM 1579 CA ASP A 97 5.310 -9.046 2.816 1.00 0.00 C ATOM 1580 C ASP A 97 4.467 -8.059 2.005 1.00 0.00 C ATOM 1581 O ASP A 97 4.042 -8.375 0.895 1.00 0.00 O ATOM 1582 CB ASP A 97 6.458 -8.379 3.597 1.00 0.00 C ATOM 1583 CG ASP A 97 7.354 -9.403 4.292 1.00 0.00 C ATOM 1584 OD1 ASP A 97 7.003 -9.877 5.369 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.513 -9.724 3.647 1.00 0.00 O ATOM 0 H ASP A 97 5.351 -11.006 2.133 1.00 0.00 H new ATOM 0 HA ASP A 97 4.660 -9.475 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.058 -7.777 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.042 -7.699 4.340 1.00 0.00 H new ATOM 1591 N PHE A 98 4.207 -6.877 2.574 1.00 0.00 N ATOM 1592 CA PHE A 98 3.434 -5.820 1.938 1.00 0.00 C ATOM 1593 C PHE A 98 4.063 -4.472 2.284 1.00 0.00 C ATOM 1594 O PHE A 98 3.815 -3.939 3.364 1.00 0.00 O ATOM 1595 CB PHE A 98 1.976 -5.926 2.405 1.00 0.00 C ATOM 1596 CG PHE A 98 0.920 -5.107 1.678 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.230 -4.252 0.603 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.417 -5.235 2.090 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.207 -3.570 -0.078 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.439 -4.548 1.413 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.128 -3.716 0.331 1.00 0.00 C ATOM 0 H PHE A 98 4.537 -6.630 3.507 1.00 0.00 H new ATOM 0 HA PHE A 98 3.442 -5.918 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.683 -6.974 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.944 -5.648 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.258 -4.120 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.661 -5.865 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.448 -2.933 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.466 -4.662 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.914 -3.187 -0.188 1.00 0.00 H new ATOM 1611 N GLU A 99 4.904 -3.942 1.384 1.00 0.00 N ATOM 1612 CA GLU A 99 5.642 -2.702 1.604 1.00 0.00 C ATOM 1613 C GLU A 99 5.293 -1.689 0.511 1.00 0.00 C ATOM 1614 O GLU A 99 4.728 -2.050 -0.518 1.00 0.00 O ATOM 1615 CB GLU A 99 7.139 -3.029 1.660 1.00 0.00 C ATOM 1616 CG GLU A 99 8.027 -1.790 1.817 1.00 0.00 C ATOM 1617 CD GLU A 99 9.498 -2.184 1.799 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.120 -2.114 0.740 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.021 -2.614 2.982 1.00 0.00 O ATOM 0 H GLU A 99 5.089 -4.370 0.477 1.00 0.00 H new ATOM 0 HA GLU A 99 5.364 -2.243 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.324 -3.708 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.422 -3.557 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.823 -1.085 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.792 -1.282 2.752 1.00 0.00 H new ATOM 1627 N THR A 100 5.608 -0.414 0.756 1.00 0.00 N ATOM 1628 CA THR A 100 5.215 0.711 -0.072 1.00 0.00 C ATOM 1629 C THR A 100 6.420 1.346 -0.776 1.00 0.00 C ATOM 1630 O THR A 100 7.512 1.380 -0.209 1.00 0.00 O ATOM 1631 CB THR A 100 4.462 1.727 0.814 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.322 2.717 1.340 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.736 1.070 1.996 1.00 0.00 C ATOM 0 H THR A 100 6.163 -0.136 1.566 1.00 0.00 H new ATOM 0 HA THR A 100 4.554 0.366 -0.868 1.00 0.00 H new ATOM 0 HB THR A 100 3.729 2.180 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.805 3.340 1.893 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.226 1.836 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.006 0.353 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.460 0.554 2.627 1.00 0.00 H new ATOM 1641 N TYR A 101 6.207 1.900 -1.980 1.00 0.00 N ATOM 1642 CA TYR A 101 7.076 2.957 -2.506 1.00 0.00 C ATOM 1643 C TYR A 101 6.734 4.266 -1.782 1.00 0.00 C ATOM 1644 O TYR A 101 6.020 5.095 -2.387 1.00 0.00 O ATOM 1645 CB TYR A 101 6.906 3.128 -4.027 1.00 0.00 C ATOM 1646 CG TYR A 101 7.513 2.100 -4.966 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.343 1.063 -4.499 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.351 2.279 -6.354 1.00 0.00 C ATOM 1649 CE1 TYR A 101 9.001 0.214 -5.405 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.062 1.473 -7.259 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.872 0.428 -6.788 1.00 0.00 C ATOM 1652 OH TYR A 101 9.524 -0.381 -7.672 1.00 0.00 O ATOM 1653 OXT TYR A 101 7.165 4.419 -0.617 1.00 0.00 O ATOM 0 H TYR A 101 5.444 1.633 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 101 8.116 2.684 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.837 3.169 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.320 4.100 -4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.475 0.919 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.678 3.038 -6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.606 -0.603 -5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.985 1.658 -8.320 1.00 0.00 H new ATOM 0 HH TYR A 101 9.324 -0.094 -8.587 1.00 0.00 H new TER 1663 TYR A 101