USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 48 MET CE :methyl -178:sc= 0 (180deg=-0.00205) USER MOD Set 1.2: A 50 MET CE :methyl -169:sc= -0.0106 (180deg=-0.185) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.0767 K(o=1.1,f=-1.1) USER MOD Set 2.2: A 76 ASN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.68) USER MOD Single : A 7 THR OG1 : rot -75:sc= 1.31 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.705 (180deg=-0.896) USER MOD Single : A 17 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00939 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 42 ASN : amide:sc= -0.227 K(o=-0.23,f=-8.1!) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 0.0351 (180deg=-0.554!) USER MOD Single : A 49 THR OG1 : rot 107:sc= 0.313 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -160:sc= 0 USER MOD Single : A 54 MET CE :methyl 174:sc= 0 (180deg=-0.0663) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 76:sc= 0.444 USER MOD Single : A 70 LYS NZ :NH3+ -105:sc= 0.863 (180deg=0.0605) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 83 THR OG1 : rot 82:sc= 0 USER MOD Single : A 89 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 93 MET CE :methyl -166:sc= -0.0319 (180deg=-0.604) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 18.132 1.317 -9.171 1.00 0.00 N ATOM 52 CA LYS A 5 17.603 2.188 -8.123 1.00 0.00 C ATOM 53 C LYS A 5 16.088 2.306 -8.255 1.00 0.00 C ATOM 54 O LYS A 5 15.590 2.993 -9.139 1.00 0.00 O ATOM 55 CB LYS A 5 18.353 3.537 -8.052 1.00 0.00 C ATOM 56 CG LYS A 5 18.808 3.824 -6.606 1.00 0.00 C ATOM 57 CD LYS A 5 17.660 4.171 -5.641 1.00 0.00 C ATOM 58 CE LYS A 5 17.147 5.608 -5.780 1.00 0.00 C ATOM 59 NZ LYS A 5 18.177 6.602 -5.405 1.00 0.00 N ATOM 0 HA LYS A 5 17.790 1.733 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.218 3.515 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.704 4.340 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.338 2.952 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.520 4.649 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.833 3.482 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.999 4.014 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.832 5.783 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.268 5.742 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.726 7.401 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.874 6.158 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.655 6.947 -6.262 1.00 0.00 H new ATOM 73 N VAL A 6 15.360 1.581 -7.409 1.00 0.00 N ATOM 74 CA VAL A 6 13.903 1.630 -7.307 1.00 0.00 C ATOM 75 C VAL A 6 13.465 2.968 -6.672 1.00 0.00 C ATOM 76 O VAL A 6 14.276 3.670 -6.064 1.00 0.00 O ATOM 77 CB VAL A 6 13.435 0.346 -6.581 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.938 0.326 -6.232 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.724 -0.870 -7.467 1.00 0.00 C ATOM 0 H VAL A 6 15.781 0.922 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 6 13.410 1.626 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 6 13.988 0.320 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.695 -0.608 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.706 1.165 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.350 0.407 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.396 -1.777 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.188 -0.768 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.795 -0.931 -7.663 1.00 0.00 H new ATOM 89 N THR A 7 12.193 3.364 -6.823 1.00 0.00 N ATOM 90 CA THR A 7 11.705 4.681 -6.403 1.00 0.00 C ATOM 91 C THR A 7 10.273 4.587 -5.885 1.00 0.00 C ATOM 92 O THR A 7 9.566 3.611 -6.154 1.00 0.00 O ATOM 93 CB THR A 7 11.722 5.635 -7.621 1.00 0.00 C ATOM 94 OG1 THR A 7 10.734 5.268 -8.569 1.00 0.00 O ATOM 95 CG2 THR A 7 13.050 5.684 -8.374 1.00 0.00 C ATOM 0 H THR A 7 11.473 2.776 -7.242 1.00 0.00 H new ATOM 0 HA THR A 7 12.350 5.053 -5.607 1.00 0.00 H new ATOM 0 HB THR A 7 11.534 6.616 -7.185 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.032 4.475 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.968 6.378 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.838 6.020 -7.700 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.292 4.690 -8.749 1.00 0.00 H new ATOM 103 N LYS A 8 9.819 5.629 -5.179 1.00 0.00 N ATOM 104 CA LYS A 8 8.461 5.696 -4.678 1.00 0.00 C ATOM 105 C LYS A 8 7.444 5.686 -5.811 1.00 0.00 C ATOM 106 O LYS A 8 6.372 5.107 -5.668 1.00 0.00 O ATOM 107 CB LYS A 8 8.306 6.919 -3.766 1.00 0.00 C ATOM 108 CG LYS A 8 8.837 8.267 -4.296 1.00 0.00 C ATOM 109 CD LYS A 8 8.198 9.443 -3.536 1.00 0.00 C ATOM 110 CE LYS A 8 9.155 10.302 -2.710 1.00 0.00 C ATOM 111 NZ LYS A 8 9.743 11.432 -3.458 1.00 0.00 N ATOM 0 H LYS A 8 10.389 6.442 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 8 8.260 4.804 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.247 7.039 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.811 6.704 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.921 8.304 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.620 8.355 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.694 10.086 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.430 9.047 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.622 10.691 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.960 9.671 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.380 11.968 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.280 11.068 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.984 12.057 -3.797 1.00 0.00 H new ATOM 125 N GLU A 9 7.810 6.275 -6.944 1.00 0.00 N ATOM 126 CA GLU A 9 7.032 6.305 -8.162 1.00 0.00 C ATOM 127 C GLU A 9 6.667 4.892 -8.596 1.00 0.00 C ATOM 128 O GLU A 9 5.500 4.615 -8.881 1.00 0.00 O ATOM 129 CB GLU A 9 7.890 6.979 -9.244 1.00 0.00 C ATOM 130 CG GLU A 9 7.331 8.319 -9.714 1.00 0.00 C ATOM 131 CD GLU A 9 8.160 9.504 -9.186 1.00 0.00 C ATOM 132 OE1 GLU A 9 9.379 9.581 -9.470 1.00 0.00 O ATOM 133 OE2 GLU A 9 7.632 10.334 -8.411 1.00 0.00 O ATOM 0 H GLU A 9 8.700 6.765 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 9 6.105 6.857 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.897 7.130 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.975 6.309 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.315 8.344 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.299 8.420 -9.378 1.00 0.00 H new ATOM 141 N ASP A 10 7.668 4.006 -8.606 1.00 0.00 N ATOM 142 CA ASP A 10 7.521 2.654 -9.109 1.00 0.00 C ATOM 143 C ASP A 10 6.622 1.914 -8.139 1.00 0.00 C ATOM 144 O ASP A 10 5.682 1.238 -8.527 1.00 0.00 O ATOM 145 CB ASP A 10 8.854 1.889 -9.125 1.00 0.00 C ATOM 146 CG ASP A 10 9.787 2.273 -10.252 1.00 0.00 C ATOM 147 OD1 ASP A 10 10.753 3.027 -9.985 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.618 1.766 -11.386 1.00 0.00 O ATOM 0 H ASP A 10 8.605 4.217 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 10 7.130 2.710 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.364 2.055 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.644 0.821 -9.192 1.00 0.00 H new ATOM 154 N VAL A 11 6.908 2.059 -6.847 1.00 0.00 N ATOM 155 CA VAL A 11 6.185 1.402 -5.764 1.00 0.00 C ATOM 156 C VAL A 11 4.693 1.759 -5.793 1.00 0.00 C ATOM 157 O VAL A 11 3.845 0.896 -5.558 1.00 0.00 O ATOM 158 CB VAL A 11 6.905 1.749 -4.445 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.099 1.427 -3.183 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.244 0.994 -4.424 1.00 0.00 C ATOM 0 H VAL A 11 7.669 2.653 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 11 6.197 0.318 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 11 7.047 2.829 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.678 1.702 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.166 1.990 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.879 0.360 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.776 1.222 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.058 -0.078 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.849 1.303 -5.276 1.00 0.00 H new ATOM 170 N LEU A 12 4.346 2.995 -6.162 1.00 0.00 N ATOM 171 CA LEU A 12 2.968 3.436 -6.273 1.00 0.00 C ATOM 172 C LEU A 12 2.328 2.737 -7.456 1.00 0.00 C ATOM 173 O LEU A 12 1.171 2.341 -7.383 1.00 0.00 O ATOM 174 CB LEU A 12 2.943 4.955 -6.493 1.00 0.00 C ATOM 175 CG LEU A 12 3.221 5.732 -5.199 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.821 7.107 -5.507 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.940 5.872 -4.364 1.00 0.00 C ATOM 0 H LEU A 12 5.027 3.719 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 12 2.419 3.195 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.686 5.224 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.970 5.247 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 12 3.949 5.169 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.009 7.639 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.758 6.982 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.123 7.680 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.159 6.426 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.186 6.408 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.564 4.882 -4.106 1.00 0.00 H new ATOM 189 N ASN A 13 3.070 2.605 -8.553 1.00 0.00 N ATOM 190 CA ASN A 13 2.609 1.958 -9.766 1.00 0.00 C ATOM 191 C ASN A 13 2.588 0.436 -9.651 1.00 0.00 C ATOM 192 O ASN A 13 1.905 -0.223 -10.428 1.00 0.00 O ATOM 193 CB ASN A 13 3.539 2.404 -10.910 1.00 0.00 C ATOM 194 CG ASN A 13 2.918 3.520 -11.744 1.00 0.00 C ATOM 195 OD1 ASN A 13 1.731 3.509 -12.041 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.650 4.576 -12.064 1.00 0.00 N ATOM 0 H ASN A 13 4.026 2.954 -8.619 1.00 0.00 H new ATOM 0 HA ASN A 13 1.578 2.255 -9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.487 2.745 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.760 1.551 -11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.223 5.364 -12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.641 4.601 -11.824 1.00 0.00 H new ATOM 203 N ALA A 14 3.323 -0.154 -8.713 1.00 0.00 N ATOM 204 CA ALA A 14 3.332 -1.587 -8.479 1.00 0.00 C ATOM 205 C ALA A 14 2.091 -1.933 -7.673 1.00 0.00 C ATOM 206 O ALA A 14 1.314 -2.809 -8.051 1.00 0.00 O ATOM 207 CB ALA A 14 4.598 -1.979 -7.720 1.00 0.00 C ATOM 0 H ALA A 14 3.939 0.363 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 14 3.325 -2.134 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.600 -3.055 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.474 -1.704 -8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.625 -1.458 -6.763 1.00 0.00 H new ATOM 213 N LEU A 15 1.890 -1.212 -6.565 1.00 0.00 N ATOM 214 CA LEU A 15 0.804 -1.460 -5.631 1.00 0.00 C ATOM 215 C LEU A 15 -0.568 -1.216 -6.259 1.00 0.00 C ATOM 216 O LEU A 15 -1.525 -1.862 -5.842 1.00 0.00 O ATOM 217 CB LEU A 15 1.009 -0.625 -4.361 1.00 0.00 C ATOM 218 CG LEU A 15 2.075 -1.230 -3.425 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.455 -0.208 -2.352 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.591 -2.510 -2.727 1.00 0.00 C ATOM 0 H LEU A 15 2.489 -0.432 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 15 0.824 -2.515 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.305 0.387 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.063 -0.545 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 15 2.933 -1.487 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.208 -0.637 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.857 0.687 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.571 0.056 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.381 -2.893 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.708 -2.286 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.340 -3.260 -3.477 1.00 0.00 H new ATOM 232 N LYS A 16 -0.640 -0.434 -7.346 1.00 0.00 N ATOM 233 CA LYS A 16 -1.771 -0.319 -8.278 1.00 0.00 C ATOM 234 C LYS A 16 -2.158 -1.647 -8.975 1.00 0.00 C ATOM 235 O LYS A 16 -2.758 -1.611 -10.051 1.00 0.00 O ATOM 236 CB LYS A 16 -1.448 0.792 -9.297 1.00 0.00 C ATOM 237 CG LYS A 16 -1.723 2.180 -8.715 1.00 0.00 C ATOM 238 CD LYS A 16 -1.313 3.289 -9.690 1.00 0.00 C ATOM 239 CE LYS A 16 -1.659 4.663 -9.115 1.00 0.00 C ATOM 240 NZ LYS A 16 -0.536 5.273 -8.378 1.00 0.00 N ATOM 0 H LYS A 16 0.136 0.171 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.657 -0.058 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.402 0.721 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.046 0.648 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.783 2.274 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.178 2.298 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.243 3.230 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.822 3.149 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.958 5.327 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.516 4.568 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.871 6.116 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.155 4.587 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.211 5.547 -9.048 1.00 0.00 H new ATOM 254 N ASN A 17 -1.797 -2.806 -8.417 1.00 0.00 N ATOM 255 CA ASN A 17 -2.176 -4.153 -8.843 1.00 0.00 C ATOM 256 C ASN A 17 -2.725 -4.974 -7.662 1.00 0.00 C ATOM 257 O ASN A 17 -3.162 -6.104 -7.868 1.00 0.00 O ATOM 258 CB ASN A 17 -0.972 -4.917 -9.440 1.00 0.00 C ATOM 259 CG ASN A 17 -0.494 -4.380 -10.781 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.764 -4.958 -11.827 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.262 -3.296 -10.780 1.00 0.00 N ATOM 0 H ASN A 17 -1.189 -2.827 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.947 -4.032 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.145 -4.880 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.244 -5.966 -9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.629 -2.930 -11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.478 -2.826 -9.901 1.00 0.00 H new ATOM 268 N VAL A 18 -2.682 -4.485 -6.418 1.00 0.00 N ATOM 269 CA VAL A 18 -3.036 -5.248 -5.232 1.00 0.00 C ATOM 270 C VAL A 18 -4.437 -4.824 -4.841 1.00 0.00 C ATOM 271 O VAL A 18 -4.604 -3.835 -4.124 1.00 0.00 O ATOM 272 CB VAL A 18 -1.979 -4.989 -4.143 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.381 -5.531 -2.771 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.666 -5.643 -4.580 1.00 0.00 C ATOM 0 H VAL A 18 -2.394 -3.529 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.042 -6.325 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.875 -3.909 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.593 -5.315 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.308 -5.056 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.530 -6.609 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.097 -5.471 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.818 -6.715 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.341 -5.210 -5.526 1.00 0.00 H new ATOM 284 N ILE A 19 -5.442 -5.538 -5.347 1.00 0.00 N ATOM 285 CA ILE A 19 -6.815 -5.318 -4.937 1.00 0.00 C ATOM 286 C ILE A 19 -7.064 -6.112 -3.660 1.00 0.00 C ATOM 287 O ILE A 19 -6.684 -7.281 -3.523 1.00 0.00 O ATOM 288 CB ILE A 19 -7.790 -5.580 -6.103 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.416 -4.575 -7.233 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.256 -5.491 -5.644 1.00 0.00 C ATOM 291 CD1 ILE A 19 -8.553 -4.013 -8.085 1.00 0.00 C ATOM 0 H ILE A 19 -5.323 -6.274 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.003 -4.274 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.696 -6.596 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.892 -3.735 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.708 -5.067 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.915 -5.681 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.440 -6.234 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.453 -4.495 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.146 -3.329 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.069 -4.831 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.256 -3.478 -7.446 1.00 0.00 H new ATOM 303 N ASP A 20 -7.680 -5.420 -2.713 1.00 0.00 N ATOM 304 CA ASP A 20 -8.223 -5.924 -1.462 1.00 0.00 C ATOM 305 C ASP A 20 -9.603 -6.473 -1.787 1.00 0.00 C ATOM 306 O ASP A 20 -10.471 -5.719 -2.234 1.00 0.00 O ATOM 307 CB ASP A 20 -8.288 -4.761 -0.475 1.00 0.00 C ATOM 308 CG ASP A 20 -8.895 -5.080 0.887 1.00 0.00 C ATOM 309 OD1 ASP A 20 -9.757 -5.984 0.973 1.00 0.00 O ATOM 310 OD2 ASP A 20 -8.500 -4.355 1.834 1.00 0.00 O ATOM 0 H ASP A 20 -7.824 -4.415 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.616 -6.710 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.277 -4.382 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.865 -3.955 -0.929 1.00 0.00 H new ATOM 316 N PHE A 21 -9.763 -7.788 -1.641 1.00 0.00 N ATOM 317 CA PHE A 21 -10.951 -8.515 -2.070 1.00 0.00 C ATOM 318 C PHE A 21 -12.198 -8.160 -1.260 1.00 0.00 C ATOM 319 O PHE A 21 -13.308 -8.425 -1.720 1.00 0.00 O ATOM 320 CB PHE A 21 -10.689 -10.027 -1.956 1.00 0.00 C ATOM 321 CG PHE A 21 -11.130 -10.815 -3.179 1.00 0.00 C ATOM 322 CD1 PHE A 21 -10.255 -10.980 -4.270 1.00 0.00 C ATOM 323 CD2 PHE A 21 -12.419 -11.383 -3.235 1.00 0.00 C ATOM 324 CE1 PHE A 21 -10.659 -11.718 -5.397 1.00 0.00 C ATOM 325 CE2 PHE A 21 -12.819 -12.127 -4.361 1.00 0.00 C ATOM 326 CZ PHE A 21 -11.937 -12.300 -5.441 1.00 0.00 C ATOM 0 H PHE A 21 -9.056 -8.386 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.146 -8.226 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.624 -10.191 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.209 -10.412 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.270 -10.538 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.103 -11.247 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.984 -11.838 -6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.805 -12.566 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.240 -12.878 -6.301 1.00 0.00 H new ATOM 336 N GLU A 22 -12.048 -7.638 -0.040 1.00 0.00 N ATOM 337 CA GLU A 22 -13.164 -7.270 0.807 1.00 0.00 C ATOM 338 C GLU A 22 -13.754 -5.954 0.298 1.00 0.00 C ATOM 339 O GLU A 22 -14.973 -5.823 0.157 1.00 0.00 O ATOM 340 CB GLU A 22 -12.607 -7.173 2.238 1.00 0.00 C ATOM 341 CG GLU A 22 -13.654 -6.802 3.284 1.00 0.00 C ATOM 342 CD GLU A 22 -14.714 -7.868 3.557 1.00 0.00 C ATOM 343 OE1 GLU A 22 -15.550 -7.634 4.459 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.723 -8.956 2.933 1.00 0.00 O ATOM 0 H GLU A 22 -11.137 -7.461 0.383 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.975 -7.998 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.160 -8.129 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.809 -6.431 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.143 -6.574 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.155 -5.889 2.963 1.00 0.00 H new ATOM 352 N LEU A 23 -12.880 -4.987 0.014 1.00 0.00 N ATOM 353 CA LEU A 23 -13.249 -3.644 -0.412 1.00 0.00 C ATOM 354 C LEU A 23 -13.645 -3.672 -1.891 1.00 0.00 C ATOM 355 O LEU A 23 -14.764 -3.307 -2.254 1.00 0.00 O ATOM 356 CB LEU A 23 -12.065 -2.696 -0.141 1.00 0.00 C ATOM 357 CG LEU A 23 -11.941 -2.161 1.299 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.024 -1.122 1.596 1.00 0.00 C ATOM 359 CD2 LEU A 23 -11.911 -3.229 2.397 1.00 0.00 C ATOM 0 H LEU A 23 -11.871 -5.124 0.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.109 -3.278 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.142 -3.218 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.145 -1.845 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.957 -1.694 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.912 -0.762 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.925 -0.286 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.007 -1.577 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.822 -2.747 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.832 -3.812 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.058 -3.889 2.239 1.00 0.00 H new ATOM 371 N GLY A 24 -12.718 -4.077 -2.759 1.00 0.00 N ATOM 372 CA GLY A 24 -12.914 -4.269 -4.189 1.00 0.00 C ATOM 373 C GLY A 24 -11.998 -3.352 -4.986 1.00 0.00 C ATOM 374 O GLY A 24 -12.131 -3.244 -6.205 1.00 0.00 O ATOM 0 H GLY A 24 -11.764 -4.290 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.715 -5.308 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.953 -4.068 -4.449 1.00 0.00 H new ATOM 378 N LEU A 25 -11.068 -2.681 -4.306 1.00 0.00 N ATOM 379 CA LEU A 25 -10.189 -1.678 -4.862 1.00 0.00 C ATOM 380 C LEU A 25 -8.732 -1.869 -4.449 1.00 0.00 C ATOM 381 O LEU A 25 -8.427 -2.587 -3.488 1.00 0.00 O ATOM 382 CB LEU A 25 -10.762 -0.262 -4.708 1.00 0.00 C ATOM 383 CG LEU A 25 -11.125 0.264 -3.315 1.00 0.00 C ATOM 384 CD1 LEU A 25 -12.554 -0.089 -2.903 1.00 0.00 C ATOM 385 CD2 LEU A 25 -10.125 -0.266 -2.315 1.00 0.00 C ATOM 0 H LEU A 25 -10.908 -2.836 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.150 -1.825 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.039 0.430 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.661 -0.206 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.083 1.353 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.755 0.309 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.256 0.344 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.672 -1.173 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.375 0.103 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.153 -1.356 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.125 0.072 -2.587 1.00 0.00 H new ATOM 397 N ASP A 26 -7.827 -1.233 -5.193 1.00 0.00 N ATOM 398 CA ASP A 26 -6.405 -1.292 -4.896 1.00 0.00 C ATOM 399 C ASP A 26 -6.061 -0.321 -3.766 1.00 0.00 C ATOM 400 O ASP A 26 -6.761 0.668 -3.551 1.00 0.00 O ATOM 401 CB ASP A 26 -5.538 -1.065 -6.147 1.00 0.00 C ATOM 402 CG ASP A 26 -4.942 0.338 -6.207 1.00 0.00 C ATOM 403 OD1 ASP A 26 -3.806 0.518 -5.730 1.00 0.00 O ATOM 404 OD2 ASP A 26 -5.625 1.248 -6.721 1.00 0.00 O ATOM 0 H ASP A 26 -8.061 -0.669 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.172 -2.301 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.732 -1.798 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.142 -1.237 -7.038 1.00 0.00 H new ATOM 410 N VAL A 27 -4.970 -0.565 -3.050 1.00 0.00 N ATOM 411 CA VAL A 27 -4.503 0.224 -1.926 1.00 0.00 C ATOM 412 C VAL A 27 -4.248 1.704 -2.223 1.00 0.00 C ATOM 413 O VAL A 27 -4.316 2.528 -1.306 1.00 0.00 O ATOM 414 CB VAL A 27 -3.221 -0.422 -1.400 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.449 -1.868 -0.965 1.00 0.00 C ATOM 416 CG2 VAL A 27 -2.064 -0.441 -2.401 1.00 0.00 C ATOM 0 H VAL A 27 -4.360 -1.358 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.307 0.224 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.947 0.212 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.513 -2.289 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.195 -1.896 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.801 -2.452 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.196 -0.917 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.360 -1.001 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.811 0.581 -2.684 1.00 0.00 H new ATOM 426 N VAL A 28 -3.936 2.067 -3.466 1.00 0.00 N ATOM 427 CA VAL A 28 -3.730 3.442 -3.899 1.00 0.00 C ATOM 428 C VAL A 28 -5.086 4.097 -4.215 1.00 0.00 C ATOM 429 O VAL A 28 -5.226 5.314 -4.078 1.00 0.00 O ATOM 430 CB VAL A 28 -2.735 3.472 -5.088 1.00 0.00 C ATOM 431 CG1 VAL A 28 -2.387 4.930 -5.411 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.409 2.753 -4.767 1.00 0.00 C ATOM 0 H VAL A 28 -3.817 1.390 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.279 4.032 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.221 2.965 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.687 4.961 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.295 5.470 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.931 5.397 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.749 2.804 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.929 3.237 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.610 1.710 -4.525 1.00 0.00 H new ATOM 442 N SER A 29 -6.116 3.327 -4.568 1.00 0.00 N ATOM 443 CA SER A 29 -7.497 3.823 -4.564 1.00 0.00 C ATOM 444 C SER A 29 -8.063 3.908 -3.148 1.00 0.00 C ATOM 445 O SER A 29 -8.829 4.825 -2.854 1.00 0.00 O ATOM 446 CB SER A 29 -8.418 2.955 -5.420 1.00 0.00 C ATOM 447 OG SER A 29 -8.310 3.301 -6.790 1.00 0.00 O ATOM 0 H SER A 29 -6.022 2.355 -4.861 1.00 0.00 H new ATOM 0 HA SER A 29 -7.459 4.824 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.163 1.904 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.450 3.077 -5.090 1.00 0.00 H new ATOM 0 HG SER A 29 -8.907 2.732 -7.319 1.00 0.00 H new ATOM 453 N LEU A 30 -7.700 2.971 -2.267 1.00 0.00 N ATOM 454 CA LEU A 30 -8.084 3.025 -0.862 1.00 0.00 C ATOM 455 C LEU A 30 -7.414 4.236 -0.210 1.00 0.00 C ATOM 456 O LEU A 30 -8.028 4.943 0.580 1.00 0.00 O ATOM 457 CB LEU A 30 -7.743 1.693 -0.161 1.00 0.00 C ATOM 458 CG LEU A 30 -8.675 1.376 1.022 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.722 -0.130 1.288 1.00 0.00 C ATOM 460 CD2 LEU A 30 -8.279 2.043 2.337 1.00 0.00 C ATOM 0 H LEU A 30 -7.134 2.158 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.162 3.152 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.800 0.882 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.714 1.730 0.195 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.642 1.772 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.387 -0.330 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.092 -0.645 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.720 -0.489 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.990 1.765 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.280 1.716 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.284 3.126 2.212 1.00 0.00 H new ATOM 472 N GLY A 31 -6.157 4.486 -0.578 1.00 0.00 N ATOM 473 CA GLY A 31 -5.317 5.546 -0.070 1.00 0.00 C ATOM 474 C GLY A 31 -4.761 5.166 1.294 1.00 0.00 C ATOM 475 O GLY A 31 -4.952 5.891 2.269 1.00 0.00 O ATOM 0 H GLY A 31 -5.681 3.917 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.499 5.736 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.891 6.470 0.007 1.00 0.00 H new ATOM 479 N LEU A 32 -4.104 4.008 1.388 1.00 0.00 N ATOM 480 CA LEU A 32 -3.532 3.512 2.640 1.00 0.00 C ATOM 481 C LEU A 32 -2.197 4.189 2.947 1.00 0.00 C ATOM 482 O LEU A 32 -2.040 4.779 4.012 1.00 0.00 O ATOM 483 CB LEU A 32 -3.368 1.987 2.562 1.00 0.00 C ATOM 484 CG LEU A 32 -4.718 1.276 2.738 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.651 -0.140 2.169 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.145 1.242 4.213 1.00 0.00 C ATOM 0 H LEU A 32 -3.954 3.386 0.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.213 3.756 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.932 1.714 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.674 1.653 3.333 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.469 1.842 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.615 -0.631 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.409 -0.094 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.881 -0.706 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.104 0.732 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.395 0.709 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.240 2.261 4.588 1.00 0.00 H new ATOM 498 N VAL A 33 -1.242 4.075 2.024 1.00 0.00 N ATOM 499 CA VAL A 33 0.162 4.441 2.179 1.00 0.00 C ATOM 500 C VAL A 33 0.355 5.825 2.816 1.00 0.00 C ATOM 501 O VAL A 33 -0.228 6.824 2.375 1.00 0.00 O ATOM 502 CB VAL A 33 0.852 4.303 0.806 1.00 0.00 C ATOM 503 CG1 VAL A 33 0.240 5.133 -0.336 1.00 0.00 C ATOM 504 CG2 VAL A 33 2.355 4.564 0.888 1.00 0.00 C ATOM 0 H VAL A 33 -1.441 3.703 1.095 1.00 0.00 H new ATOM 0 HA VAL A 33 0.635 3.759 2.886 1.00 0.00 H new ATOM 0 HB VAL A 33 0.671 3.261 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.803 4.960 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.798 4.836 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.281 6.191 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.798 4.455 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.529 5.576 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.812 3.847 1.570 1.00 0.00 H new ATOM 514 N TYR A 34 1.197 5.893 3.846 1.00 0.00 N ATOM 515 CA TYR A 34 1.647 7.139 4.441 1.00 0.00 C ATOM 516 C TYR A 34 2.927 7.600 3.743 1.00 0.00 C ATOM 517 O TYR A 34 2.966 8.696 3.170 1.00 0.00 O ATOM 518 CB TYR A 34 1.869 6.957 5.949 1.00 0.00 C ATOM 519 CG TYR A 34 0.612 6.986 6.792 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.120 8.184 6.901 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.206 5.847 7.515 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.247 8.256 7.736 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.916 5.918 8.362 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.640 7.125 8.485 1.00 0.00 C ATOM 525 OH TYR A 34 -2.684 7.207 9.354 1.00 0.00 O ATOM 0 H TYR A 34 1.590 5.065 4.295 1.00 0.00 H new ATOM 0 HA TYR A 34 0.884 7.906 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.376 6.006 6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.540 7.741 6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.187 9.053 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.754 4.921 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.812 9.174 7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.225 5.046 8.920 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.820 6.337 9.785 1.00 0.00 H new ATOM 535 N ASP A 35 3.985 6.786 3.761 1.00 0.00 N ATOM 536 CA ASP A 35 5.319 7.186 3.306 1.00 0.00 C ATOM 537 C ASP A 35 6.000 6.036 2.579 1.00 0.00 C ATOM 538 O ASP A 35 5.652 4.886 2.828 1.00 0.00 O ATOM 539 CB ASP A 35 6.196 7.593 4.496 1.00 0.00 C ATOM 540 CG ASP A 35 7.113 8.765 4.131 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.284 9.690 4.956 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.587 8.832 2.972 1.00 0.00 O ATOM 0 H ASP A 35 3.940 5.823 4.094 1.00 0.00 H new ATOM 0 HA ASP A 35 5.198 8.033 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.564 7.871 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.798 6.742 4.816 1.00 0.00 H new ATOM 548 N ILE A 36 6.969 6.338 1.714 1.00 0.00 N ATOM 549 CA ILE A 36 7.660 5.423 0.828 1.00 0.00 C ATOM 550 C ILE A 36 9.093 5.957 0.740 1.00 0.00 C ATOM 551 O ILE A 36 9.363 6.906 -0.005 1.00 0.00 O ATOM 552 CB ILE A 36 6.969 5.395 -0.562 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.423 5.360 -0.578 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.518 4.175 -1.304 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.836 5.708 -1.944 1.00 0.00 C ATOM 0 H ILE A 36 7.309 7.294 1.613 1.00 0.00 H new ATOM 0 HA ILE A 36 7.646 4.396 1.192 1.00 0.00 H new ATOM 0 HB ILE A 36 7.202 6.348 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.084 4.367 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.041 6.060 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.060 4.113 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.599 4.270 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.288 3.272 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.748 5.667 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.148 6.713 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.192 4.993 -2.686 1.00 0.00 H new ATOM 567 N GLN A 37 10.011 5.393 1.524 1.00 0.00 N ATOM 568 CA GLN A 37 11.374 5.875 1.663 1.00 0.00 C ATOM 569 C GLN A 37 12.341 4.808 1.193 1.00 0.00 C ATOM 570 O GLN A 37 12.620 3.827 1.888 1.00 0.00 O ATOM 571 CB GLN A 37 11.633 6.210 3.122 1.00 0.00 C ATOM 572 CG GLN A 37 10.772 7.394 3.566 1.00 0.00 C ATOM 573 CD GLN A 37 10.386 7.276 5.034 1.00 0.00 C ATOM 574 OE1 GLN A 37 9.306 6.829 5.403 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.295 7.637 5.911 1.00 0.00 N ATOM 0 H GLN A 37 9.817 4.568 2.092 1.00 0.00 H new ATOM 0 HA GLN A 37 11.516 6.769 1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.415 5.342 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.687 6.447 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.317 8.324 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.872 7.442 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.191 8.008 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.105 7.546 6.909 1.00 0.00 H new ATOM 584 N ILE A 38 12.876 5.017 0.003 1.00 0.00 N ATOM 585 CA ILE A 38 13.621 3.983 -0.696 1.00 0.00 C ATOM 586 C ILE A 38 15.062 4.449 -0.750 1.00 0.00 C ATOM 587 O ILE A 38 15.371 5.446 -1.408 1.00 0.00 O ATOM 588 CB ILE A 38 12.960 3.706 -2.051 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.527 3.180 -1.795 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.778 2.685 -2.864 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.609 3.465 -2.959 1.00 0.00 C ATOM 0 H ILE A 38 12.808 5.900 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 38 13.613 3.017 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 38 12.919 4.626 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.561 2.106 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.125 3.643 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.288 2.506 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.780 3.077 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.845 1.749 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.613 3.080 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.554 4.541 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.996 2.980 -3.855 1.00 0.00 H new ATOM 603 N ASP A 39 15.916 3.781 0.026 1.00 0.00 N ATOM 604 CA ASP A 39 17.328 4.125 0.101 1.00 0.00 C ATOM 605 C ASP A 39 18.094 3.492 -1.064 1.00 0.00 C ATOM 606 O ASP A 39 17.526 2.706 -1.824 1.00 0.00 O ATOM 607 CB ASP A 39 17.906 3.727 1.462 1.00 0.00 C ATOM 608 CG ASP A 39 19.033 4.688 1.804 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.215 4.348 1.597 1.00 0.00 O ATOM 610 OD2 ASP A 39 18.744 5.867 2.099 1.00 0.00 O ATOM 0 H ASP A 39 15.647 2.993 0.615 1.00 0.00 H new ATOM 0 HA ASP A 39 17.438 5.206 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.131 3.763 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.277 2.703 1.432 1.00 0.00 H new ATOM 616 N ASP A 40 19.383 3.804 -1.232 1.00 0.00 N ATOM 617 CA ASP A 40 20.133 3.421 -2.440 1.00 0.00 C ATOM 618 C ASP A 40 20.524 1.949 -2.447 1.00 0.00 C ATOM 619 O ASP A 40 20.921 1.417 -3.486 1.00 0.00 O ATOM 620 CB ASP A 40 21.377 4.284 -2.649 1.00 0.00 C ATOM 621 CG ASP A 40 21.063 5.749 -2.905 1.00 0.00 C ATOM 622 OD1 ASP A 40 19.975 6.080 -3.442 1.00 0.00 O ATOM 623 OD2 ASP A 40 21.904 6.594 -2.541 1.00 0.00 O ATOM 0 H ASP A 40 19.933 4.322 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 40 19.447 3.594 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 40 22.016 4.206 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.945 3.890 -3.491 1.00 0.00 H new ATOM 629 N GLN A 41 20.371 1.271 -1.310 1.00 0.00 N ATOM 630 CA GLN A 41 20.415 -0.183 -1.228 1.00 0.00 C ATOM 631 C GLN A 41 19.125 -0.822 -1.777 1.00 0.00 C ATOM 632 O GLN A 41 19.011 -2.045 -1.767 1.00 0.00 O ATOM 633 CB GLN A 41 20.626 -0.609 0.225 1.00 0.00 C ATOM 634 CG GLN A 41 21.916 -0.122 0.896 1.00 0.00 C ATOM 635 CD GLN A 41 23.139 -0.148 -0.014 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.749 -1.187 -0.262 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.515 1.008 -0.519 1.00 0.00 N ATOM 0 H GLN A 41 20.211 1.725 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 41 21.247 -0.530 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 41 19.780 -0.253 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.608 -1.698 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 41 21.765 0.896 1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.114 -0.741 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 41 22.992 1.855 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 24.329 1.056 -1.131 1.00 0.00 H new ATOM 646 N ASN A 42 18.142 -0.028 -2.221 1.00 0.00 N ATOM 647 CA ASN A 42 16.796 -0.435 -2.626 1.00 0.00 C ATOM 648 C ASN A 42 16.102 -1.245 -1.544 1.00 0.00 C ATOM 649 O ASN A 42 15.313 -2.149 -1.831 1.00 0.00 O ATOM 650 CB ASN A 42 16.811 -1.172 -3.963 1.00 0.00 C ATOM 651 CG ASN A 42 17.342 -0.336 -5.072 1.00 0.00 C ATOM 652 OD1 ASN A 42 17.015 0.836 -5.203 1.00 0.00 O ATOM 653 ND2 ASN A 42 18.073 -0.962 -5.951 1.00 0.00 N ATOM 0 H ASN A 42 18.277 0.979 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 42 16.213 0.475 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.417 -2.073 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.799 -1.493 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.395 -0.474 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.323 -1.940 -5.803 1.00 0.00 H new ATOM 660 N ASN A 43 16.400 -0.917 -0.288 1.00 0.00 N ATOM 661 CA ASN A 43 15.609 -1.345 0.845 1.00 0.00 C ATOM 662 C ASN A 43 14.396 -0.446 0.761 1.00 0.00 C ATOM 663 O ASN A 43 14.470 0.740 1.090 1.00 0.00 O ATOM 664 CB ASN A 43 16.381 -1.210 2.163 1.00 0.00 C ATOM 665 CG ASN A 43 17.700 -1.970 2.088 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.800 -3.012 1.447 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.766 -1.413 2.630 1.00 0.00 N ATOM 0 H ASN A 43 17.204 -0.343 -0.035 1.00 0.00 H new ATOM 0 HA ASN A 43 15.341 -2.401 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.572 -0.158 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.778 -1.595 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.682 -1.848 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.675 -0.547 3.161 1.00 0.00 H new ATOM 674 N VAL A 44 13.343 -0.958 0.140 1.00 0.00 N ATOM 675 CA VAL A 44 12.125 -0.218 -0.087 1.00 0.00 C ATOM 676 C VAL A 44 11.401 -0.214 1.254 1.00 0.00 C ATOM 677 O VAL A 44 11.009 -1.283 1.730 1.00 0.00 O ATOM 678 CB VAL A 44 11.368 -0.889 -1.257 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.902 -0.441 -1.382 1.00 0.00 C ATOM 680 CG2 VAL A 44 12.072 -0.624 -2.601 1.00 0.00 C ATOM 0 H VAL A 44 13.317 -1.911 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 44 12.257 0.819 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 44 11.376 -1.954 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.436 -0.953 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.367 -0.688 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.863 0.636 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.517 -1.108 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.114 0.450 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.085 -1.026 -2.567 1.00 0.00 H new ATOM 690 N LYS A 45 11.267 0.950 1.900 1.00 0.00 N ATOM 691 CA LYS A 45 10.601 1.075 3.175 1.00 0.00 C ATOM 692 C LYS A 45 9.322 1.795 2.880 1.00 0.00 C ATOM 693 O LYS A 45 9.315 2.737 2.083 1.00 0.00 O ATOM 694 CB LYS A 45 11.482 1.849 4.161 1.00 0.00 C ATOM 695 CG LYS A 45 11.018 1.701 5.616 1.00 0.00 C ATOM 696 CD LYS A 45 11.864 2.567 6.569 1.00 0.00 C ATOM 697 CE LYS A 45 11.051 3.688 7.230 1.00 0.00 C ATOM 698 NZ LYS A 45 10.697 3.364 8.630 1.00 0.00 N ATOM 0 H LYS A 45 11.626 1.833 1.538 1.00 0.00 H new ATOM 0 HA LYS A 45 10.406 0.110 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.510 1.498 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.482 2.905 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.970 1.988 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.086 0.655 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.296 1.932 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.695 3.004 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.625 4.614 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.140 3.862 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.749 3.735 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.702 2.332 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.391 3.797 9.273 1.00 0.00 H new ATOM 712 N VAL A 46 8.253 1.297 3.467 1.00 0.00 N ATOM 713 CA VAL A 46 6.938 1.844 3.249 1.00 0.00 C ATOM 714 C VAL A 46 6.217 1.842 4.576 1.00 0.00 C ATOM 715 O VAL A 46 6.030 0.795 5.198 1.00 0.00 O ATOM 716 CB VAL A 46 6.164 1.097 2.144 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.168 2.106 1.570 1.00 0.00 C ATOM 718 CG2 VAL A 46 7.038 0.574 0.992 1.00 0.00 C ATOM 0 H VAL A 46 8.276 0.503 4.107 1.00 0.00 H new ATOM 0 HA VAL A 46 7.017 2.866 2.879 1.00 0.00 H new ATOM 0 HB VAL A 46 5.704 0.216 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.587 1.633 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.497 2.445 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.709 2.960 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.410 0.063 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.545 1.411 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.779 -0.123 1.385 1.00 0.00 H new ATOM 728 N LEU A 47 5.832 3.034 5.022 1.00 0.00 N ATOM 729 CA LEU A 47 4.867 3.172 6.095 1.00 0.00 C ATOM 730 C LEU A 47 3.518 2.975 5.433 1.00 0.00 C ATOM 731 O LEU A 47 2.978 3.899 4.820 1.00 0.00 O ATOM 732 CB LEU A 47 4.975 4.531 6.810 1.00 0.00 C ATOM 733 CG LEU A 47 5.674 4.385 8.163 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.172 4.106 8.011 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.449 5.633 9.018 1.00 0.00 C ATOM 0 H LEU A 47 6.178 3.919 4.651 1.00 0.00 H new ATOM 0 HA LEU A 47 5.038 2.442 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.528 5.232 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.979 4.950 6.955 1.00 0.00 H new ATOM 0 HG LEU A 47 5.232 3.524 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.626 4.010 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.315 3.180 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.643 4.929 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.953 5.513 9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.853 6.505 8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.381 5.772 9.184 1.00 0.00 H new ATOM 747 N MET A 48 3.012 1.753 5.506 1.00 0.00 N ATOM 748 CA MET A 48 1.669 1.378 5.108 1.00 0.00 C ATOM 749 C MET A 48 0.858 1.193 6.403 1.00 0.00 C ATOM 750 O MET A 48 1.333 1.467 7.512 1.00 0.00 O ATOM 751 CB MET A 48 1.789 0.151 4.183 1.00 0.00 C ATOM 752 CG MET A 48 0.468 -0.415 3.648 1.00 0.00 C ATOM 753 SD MET A 48 0.620 -1.746 2.430 1.00 0.00 S ATOM 754 CE MET A 48 -1.083 -2.358 2.491 1.00 0.00 C ATOM 0 H MET A 48 3.552 0.963 5.860 1.00 0.00 H new ATOM 0 HA MET A 48 1.129 2.123 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.417 0.420 3.334 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.308 -0.640 4.725 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.116 -0.784 4.491 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.100 0.400 3.199 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.186 -3.215 1.826 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.325 -2.658 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.765 -1.569 2.173 1.00 0.00 H new ATOM 764 N THR A 49 -0.407 0.828 6.263 1.00 0.00 N ATOM 765 CA THR A 49 -1.362 0.581 7.318 1.00 0.00 C ATOM 766 C THR A 49 -2.478 -0.280 6.694 1.00 0.00 C ATOM 767 O THR A 49 -2.389 -0.669 5.525 1.00 0.00 O ATOM 768 CB THR A 49 -1.814 1.933 7.907 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.738 1.690 8.933 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.434 2.896 6.884 1.00 0.00 C ATOM 0 H THR A 49 -0.817 0.688 5.340 1.00 0.00 H new ATOM 0 HA THR A 49 -0.961 0.029 8.168 1.00 0.00 H new ATOM 0 HB THR A 49 -0.915 2.427 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.315 1.857 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.723 3.821 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.705 3.117 6.104 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.314 2.434 6.437 1.00 0.00 H new ATOM 778 N MET A 50 -3.529 -0.575 7.453 1.00 0.00 N ATOM 779 CA MET A 50 -4.762 -1.189 6.988 1.00 0.00 C ATOM 780 C MET A 50 -5.923 -0.388 7.571 1.00 0.00 C ATOM 781 O MET A 50 -5.761 0.295 8.584 1.00 0.00 O ATOM 782 CB MET A 50 -4.812 -2.660 7.434 1.00 0.00 C ATOM 783 CG MET A 50 -4.200 -3.617 6.418 1.00 0.00 C ATOM 784 SD MET A 50 -5.067 -3.636 4.836 1.00 0.00 S ATOM 785 CE MET A 50 -3.990 -4.823 4.005 1.00 0.00 C ATOM 0 H MET A 50 -3.542 -0.382 8.455 1.00 0.00 H new ATOM 0 HA MET A 50 -4.822 -1.179 5.900 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.286 -2.763 8.383 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.849 -2.944 7.612 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.159 -3.339 6.250 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.198 -4.624 6.835 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.224 -4.843 2.940 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.950 -4.529 4.143 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.146 -5.815 4.429 1.00 0.00 H new ATOM 795 N THR A 51 -7.106 -0.488 6.963 1.00 0.00 N ATOM 796 CA THR A 51 -8.296 0.196 7.462 1.00 0.00 C ATOM 797 C THR A 51 -8.560 -0.256 8.909 1.00 0.00 C ATOM 798 O THR A 51 -8.675 0.576 9.812 1.00 0.00 O ATOM 799 CB THR A 51 -9.492 -0.106 6.542 1.00 0.00 C ATOM 800 OG1 THR A 51 -9.165 0.043 5.165 1.00 0.00 O ATOM 801 CG2 THR A 51 -10.712 0.751 6.873 1.00 0.00 C ATOM 0 H THR A 51 -7.264 -1.040 6.120 1.00 0.00 H new ATOM 0 HA THR A 51 -8.145 1.276 7.461 1.00 0.00 H new ATOM 0 HB THR A 51 -9.744 -1.150 6.727 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.952 -0.160 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.528 0.499 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.022 0.561 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.458 1.805 6.759 1.00 0.00 H new ATOM 809 N THR A 52 -8.624 -1.568 9.150 1.00 0.00 N ATOM 810 CA THR A 52 -8.966 -2.144 10.439 1.00 0.00 C ATOM 811 C THR A 52 -8.118 -3.402 10.687 1.00 0.00 C ATOM 812 O THR A 52 -7.764 -4.104 9.733 1.00 0.00 O ATOM 813 CB THR A 52 -10.474 -2.476 10.469 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.712 -3.656 9.720 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.407 -1.378 9.937 1.00 0.00 C ATOM 0 H THR A 52 -8.434 -2.269 8.434 1.00 0.00 H new ATOM 0 HA THR A 52 -8.753 -1.428 11.233 1.00 0.00 H new ATOM 0 HB THR A 52 -10.712 -2.591 11.526 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.658 -3.698 9.468 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.441 -1.715 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.281 -0.474 10.532 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.162 -1.165 8.897 1.00 0.00 H new ATOM 823 N PRO A 53 -7.838 -3.771 11.949 1.00 0.00 N ATOM 824 CA PRO A 53 -7.212 -5.054 12.258 1.00 0.00 C ATOM 825 C PRO A 53 -8.185 -6.235 12.069 1.00 0.00 C ATOM 826 O PRO A 53 -7.776 -7.398 12.146 1.00 0.00 O ATOM 827 CB PRO A 53 -6.713 -4.914 13.699 1.00 0.00 C ATOM 828 CG PRO A 53 -7.609 -3.850 14.326 1.00 0.00 C ATOM 829 CD PRO A 53 -8.075 -2.988 13.155 1.00 0.00 C ATOM 0 HA PRO A 53 -6.391 -5.282 11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.788 -5.859 14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.665 -4.614 13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.454 -4.301 14.845 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.064 -3.257 15.060 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.131 -2.737 13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.525 -2.047 13.122 1.00 0.00 H new ATOM 837 N MET A 54 -9.469 -5.967 11.811 1.00 0.00 N ATOM 838 CA MET A 54 -10.532 -6.950 11.607 1.00 0.00 C ATOM 839 C MET A 54 -10.803 -7.199 10.116 1.00 0.00 C ATOM 840 O MET A 54 -11.874 -7.703 9.779 1.00 0.00 O ATOM 841 CB MET A 54 -11.798 -6.536 12.384 1.00 0.00 C ATOM 842 CG MET A 54 -12.371 -5.192 11.925 1.00 0.00 C ATOM 843 SD MET A 54 -13.933 -4.717 12.695 1.00 0.00 S ATOM 844 CE MET A 54 -14.374 -3.296 11.674 1.00 0.00 C ATOM 0 H MET A 54 -9.810 -5.009 11.735 1.00 0.00 H new ATOM 0 HA MET A 54 -10.200 -7.907 12.009 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.558 -7.308 12.266 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.563 -6.480 13.447 1.00 0.00 H new ATOM 0 HG2 MET A 54 -11.634 -4.414 12.126 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.513 -5.226 10.845 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.369 -2.946 11.948 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.651 -2.496 11.833 1.00 0.00 H new ATOM 0 HE3 MET A 54 -14.368 -3.587 10.624 1.00 0.00 H new ATOM 854 N CYS A 55 -9.879 -6.857 9.205 1.00 0.00 N ATOM 855 CA CYS A 55 -9.978 -7.343 7.829 1.00 0.00 C ATOM 856 C CYS A 55 -10.060 -8.880 7.864 1.00 0.00 C ATOM 857 O CYS A 55 -9.429 -9.492 8.729 1.00 0.00 O ATOM 858 CB CYS A 55 -8.767 -6.881 7.004 1.00 0.00 C ATOM 859 SG CYS A 55 -9.274 -5.961 5.518 1.00 0.00 S ATOM 0 H CYS A 55 -9.074 -6.260 9.394 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.871 -6.936 7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.126 -6.251 7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.175 -7.748 6.711 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.218 -5.590 4.856 1.00 0.00 H new ATOM 865 N PRO A 56 -10.767 -9.515 6.915 1.00 0.00 N ATOM 866 CA PRO A 56 -11.191 -10.904 7.026 1.00 0.00 C ATOM 867 C PRO A 56 -9.989 -11.833 6.890 1.00 0.00 C ATOM 868 O PRO A 56 -9.678 -12.620 7.776 1.00 0.00 O ATOM 869 CB PRO A 56 -12.212 -11.100 5.899 1.00 0.00 C ATOM 870 CG PRO A 56 -11.835 -10.054 4.847 1.00 0.00 C ATOM 871 CD PRO A 56 -11.120 -8.950 5.624 1.00 0.00 C ATOM 0 HA PRO A 56 -11.635 -11.137 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.161 -12.109 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.231 -10.952 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.187 -10.480 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.719 -9.669 4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.230 -8.615 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.766 -8.080 5.745 1.00 0.00 H new ATOM 879 N LEU A 57 -9.272 -11.687 5.782 1.00 0.00 N ATOM 880 CA LEU A 57 -8.079 -12.425 5.419 1.00 0.00 C ATOM 881 C LEU A 57 -6.969 -11.389 5.306 1.00 0.00 C ATOM 882 O LEU A 57 -6.374 -11.219 4.244 1.00 0.00 O ATOM 883 CB LEU A 57 -8.306 -13.291 4.152 1.00 0.00 C ATOM 884 CG LEU A 57 -9.406 -12.840 3.166 1.00 0.00 C ATOM 885 CD1 LEU A 57 -9.013 -11.590 2.374 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.742 -13.979 2.212 1.00 0.00 C ATOM 0 H LEU A 57 -9.530 -11.004 5.070 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.797 -13.164 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.364 -13.340 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.540 -14.305 4.476 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.283 -12.578 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.823 -11.319 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.825 -10.767 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.111 -11.794 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.518 -13.656 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.850 -14.260 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.099 -14.837 2.781 1.00 0.00 H new ATOM 898 N ALA A 58 -6.727 -10.655 6.403 1.00 0.00 N ATOM 899 CA ALA A 58 -5.745 -9.579 6.416 1.00 0.00 C ATOM 900 C ALA A 58 -4.399 -10.125 5.930 1.00 0.00 C ATOM 901 O ALA A 58 -3.799 -9.541 5.041 1.00 0.00 O ATOM 902 CB ALA A 58 -5.609 -8.947 7.807 1.00 0.00 C ATOM 0 H ALA A 58 -7.205 -10.794 7.293 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.084 -8.790 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.867 -8.149 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.570 -8.536 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.293 -9.706 8.522 1.00 0.00 H new ATOM 908 N GLY A 59 -3.972 -11.282 6.451 1.00 0.00 N ATOM 909 CA GLY A 59 -2.742 -11.961 6.059 1.00 0.00 C ATOM 910 C GLY A 59 -2.597 -12.171 4.560 1.00 0.00 C ATOM 911 O GLY A 59 -1.494 -12.052 4.036 1.00 0.00 O ATOM 0 H GLY A 59 -4.490 -11.780 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.891 -11.382 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.701 -12.930 6.556 1.00 0.00 H new ATOM 915 N MET A 60 -3.678 -12.512 3.868 1.00 0.00 N ATOM 916 CA MET A 60 -3.673 -12.760 2.433 1.00 0.00 C ATOM 917 C MET A 60 -3.429 -11.456 1.673 1.00 0.00 C ATOM 918 O MET A 60 -2.607 -11.418 0.754 1.00 0.00 O ATOM 919 CB MET A 60 -5.009 -13.410 2.066 1.00 0.00 C ATOM 920 CG MET A 60 -4.922 -14.256 0.800 1.00 0.00 C ATOM 921 SD MET A 60 -6.511 -14.938 0.276 1.00 0.00 S ATOM 922 CE MET A 60 -6.072 -15.573 -1.363 1.00 0.00 C ATOM 0 H MET A 60 -4.597 -12.625 4.296 1.00 0.00 H new ATOM 0 HA MET A 60 -2.864 -13.435 2.153 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.344 -14.035 2.894 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.761 -12.633 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.514 -13.647 -0.007 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.222 -15.075 0.967 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.949 -16.028 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.718 -14.753 -1.988 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.284 -16.320 -1.265 1.00 0.00 H new ATOM 932 N ILE A 61 -4.107 -10.382 2.084 1.00 0.00 N ATOM 933 CA ILE A 61 -3.962 -9.062 1.484 1.00 0.00 C ATOM 934 C ILE A 61 -2.550 -8.522 1.790 1.00 0.00 C ATOM 935 O ILE A 61 -1.906 -7.957 0.911 1.00 0.00 O ATOM 936 CB ILE A 61 -5.086 -8.103 1.967 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.522 -8.689 1.901 1.00 0.00 C ATOM 938 CG2 ILE A 61 -5.054 -6.840 1.090 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.528 -7.926 2.774 1.00 0.00 C ATOM 0 H ILE A 61 -4.778 -10.409 2.851 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.071 -9.134 0.402 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.880 -7.906 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.865 -8.676 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.496 -9.732 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.836 -6.153 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.083 -6.355 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.221 -7.116 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.512 -8.386 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.206 -7.961 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.581 -6.888 2.445 1.00 0.00 H new ATOM 951 N LEU A 62 -2.045 -8.710 3.017 1.00 0.00 N ATOM 952 CA LEU A 62 -0.716 -8.263 3.442 1.00 0.00 C ATOM 953 C LEU A 62 0.385 -9.010 2.683 1.00 0.00 C ATOM 954 O LEU A 62 1.409 -8.402 2.358 1.00 0.00 O ATOM 955 CB LEU A 62 -0.531 -8.457 4.961 1.00 0.00 C ATOM 956 CG LEU A 62 -1.407 -7.545 5.847 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.369 -8.028 7.302 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.986 -6.075 5.805 1.00 0.00 C ATOM 0 H LEU A 62 -2.562 -9.187 3.756 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.637 -7.201 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.749 -9.496 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.516 -8.283 5.209 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.417 -7.609 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.990 -7.377 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.747 -9.049 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.342 -8.001 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.642 -5.490 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.042 -5.981 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.058 -5.705 4.782 1.00 0.00 H new ATOM 970 N SER A 63 0.182 -10.296 2.376 1.00 0.00 N ATOM 971 CA SER A 63 1.038 -11.026 1.453 1.00 0.00 C ATOM 972 C SER A 63 0.993 -10.370 0.079 1.00 0.00 C ATOM 973 O SER A 63 2.054 -10.105 -0.474 1.00 0.00 O ATOM 974 CB SER A 63 0.627 -12.498 1.344 1.00 0.00 C ATOM 975 OG SER A 63 0.855 -13.156 2.569 1.00 0.00 O ATOM 0 H SER A 63 -0.580 -10.853 2.763 1.00 0.00 H new ATOM 0 HA SER A 63 2.056 -10.993 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.426 -12.571 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.194 -12.984 0.550 1.00 0.00 H new ATOM 0 HG SER A 63 0.156 -12.907 3.209 1.00 0.00 H new ATOM 981 N ASP A 64 -0.194 -10.092 -0.470 1.00 0.00 N ATOM 982 CA ASP A 64 -0.313 -9.598 -1.846 1.00 0.00 C ATOM 983 C ASP A 64 0.336 -8.224 -2.003 1.00 0.00 C ATOM 984 O ASP A 64 1.018 -7.957 -2.992 1.00 0.00 O ATOM 985 CB ASP A 64 -1.775 -9.557 -2.312 1.00 0.00 C ATOM 986 CG ASP A 64 -1.852 -9.519 -3.843 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.207 -10.378 -4.488 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.635 -8.717 -4.404 1.00 0.00 O ATOM 0 H ASP A 64 -1.084 -10.200 0.016 1.00 0.00 H new ATOM 0 HA ASP A 64 0.221 -10.303 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.307 -10.432 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.271 -8.680 -1.896 1.00 0.00 H new ATOM 994 N ALA A 65 0.214 -7.376 -0.976 1.00 0.00 N ATOM 995 CA ALA A 65 0.910 -6.103 -0.892 1.00 0.00 C ATOM 996 C ALA A 65 2.420 -6.304 -1.028 1.00 0.00 C ATOM 997 O ALA A 65 3.077 -5.584 -1.778 1.00 0.00 O ATOM 998 CB ALA A 65 0.543 -5.397 0.416 1.00 0.00 C ATOM 0 H ALA A 65 -0.383 -7.565 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 65 0.596 -5.465 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.067 -4.443 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.532 -5.222 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.832 -6.022 1.261 1.00 0.00 H new ATOM 1004 N GLU A 66 3.005 -7.258 -0.307 1.00 0.00 N ATOM 1005 CA GLU A 66 4.405 -7.616 -0.417 1.00 0.00 C ATOM 1006 C GLU A 66 4.729 -8.207 -1.802 1.00 0.00 C ATOM 1007 O GLU A 66 5.804 -7.947 -2.340 1.00 0.00 O ATOM 1008 CB GLU A 66 4.701 -8.608 0.711 1.00 0.00 C ATOM 1009 CG GLU A 66 6.179 -8.612 1.067 1.00 0.00 C ATOM 1010 CD GLU A 66 6.518 -9.765 2.006 1.00 0.00 C ATOM 1011 OE1 GLU A 66 7.468 -10.515 1.688 1.00 0.00 O ATOM 1012 OE2 GLU A 66 5.793 -9.959 3.010 1.00 0.00 O ATOM 0 H GLU A 66 2.501 -7.813 0.385 1.00 0.00 H new ATOM 0 HA GLU A 66 5.037 -6.734 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.113 -8.348 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.395 -9.609 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.774 -8.693 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.445 -7.666 1.538 1.00 0.00 H new ATOM 1020 N GLU A 67 3.828 -8.985 -2.400 1.00 0.00 N ATOM 1021 CA GLU A 67 4.018 -9.666 -3.685 1.00 0.00 C ATOM 1022 C GLU A 67 4.065 -8.686 -4.863 1.00 0.00 C ATOM 1023 O GLU A 67 4.653 -9.004 -5.898 1.00 0.00 O ATOM 1024 CB GLU A 67 2.944 -10.747 -3.877 1.00 0.00 C ATOM 1025 CG GLU A 67 3.085 -11.892 -2.851 1.00 0.00 C ATOM 1026 CD GLU A 67 3.974 -13.045 -3.315 1.00 0.00 C ATOM 1027 OE1 GLU A 67 3.672 -13.663 -4.356 1.00 0.00 O ATOM 1028 OE2 GLU A 67 4.941 -13.393 -2.597 1.00 0.00 O ATOM 0 H GLU A 67 2.912 -9.167 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 67 4.992 -10.154 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.956 -10.297 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.015 -11.154 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.490 -11.486 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.094 -12.283 -2.621 1.00 0.00 H new ATOM 1036 N ALA A 68 3.534 -7.471 -4.698 1.00 0.00 N ATOM 1037 CA ALA A 68 3.717 -6.396 -5.667 1.00 0.00 C ATOM 1038 C ALA A 68 5.138 -5.868 -5.581 1.00 0.00 C ATOM 1039 O ALA A 68 5.786 -5.589 -6.582 1.00 0.00 O ATOM 1040 CB ALA A 68 2.767 -5.235 -5.373 1.00 0.00 C ATOM 0 H ALA A 68 2.968 -7.209 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 68 3.512 -6.798 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.920 -4.444 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.736 -5.586 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.966 -4.846 -4.374 1.00 0.00 H new ATOM 1046 N ILE A 69 5.610 -5.672 -4.359 1.00 0.00 N ATOM 1047 CA ILE A 69 6.858 -4.984 -4.121 1.00 0.00 C ATOM 1048 C ILE A 69 8.017 -5.846 -4.633 1.00 0.00 C ATOM 1049 O ILE A 69 8.875 -5.336 -5.351 1.00 0.00 O ATOM 1050 CB ILE A 69 6.887 -4.549 -2.646 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.753 -3.542 -2.345 1.00 0.00 C ATOM 1052 CG2 ILE A 69 8.227 -3.944 -2.249 1.00 0.00 C ATOM 1053 CD1 ILE A 69 5.707 -2.286 -3.215 1.00 0.00 C ATOM 0 H ILE A 69 5.137 -5.986 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 69 6.967 -4.058 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 69 6.737 -5.451 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.800 -4.061 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.839 -3.232 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.198 -3.653 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.017 -4.680 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.426 -3.066 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.869 -1.660 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.637 -1.729 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.582 -2.571 -4.260 1.00 0.00 H new ATOM 1065 N LYS A 70 7.997 -7.161 -4.401 1.00 0.00 N ATOM 1066 CA LYS A 70 9.038 -8.063 -4.891 1.00 0.00 C ATOM 1067 C LYS A 70 9.056 -8.229 -6.409 1.00 0.00 C ATOM 1068 O LYS A 70 10.015 -8.828 -6.903 1.00 0.00 O ATOM 1069 CB LYS A 70 9.035 -9.393 -4.130 1.00 0.00 C ATOM 1070 CG LYS A 70 7.747 -10.202 -4.294 1.00 0.00 C ATOM 1071 CD LYS A 70 7.710 -11.352 -3.277 1.00 0.00 C ATOM 1072 CE LYS A 70 6.849 -11.037 -2.044 1.00 0.00 C ATOM 1073 NZ LYS A 70 7.215 -11.865 -0.878 1.00 0.00 N ATOM 0 H LYS A 70 7.261 -7.627 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 70 9.988 -7.576 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.876 -9.996 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.194 -9.194 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.882 -9.554 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.686 -10.600 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.324 -12.248 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.727 -11.578 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.958 -9.983 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.799 -11.199 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.495 -12.602 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.139 -12.312 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.269 -11.266 -0.030 1.00 0.00 H new ATOM 1087 N LYS A 71 8.098 -7.680 -7.172 1.00 0.00 N ATOM 1088 CA LYS A 71 8.162 -7.713 -8.636 1.00 0.00 C ATOM 1089 C LYS A 71 8.816 -6.461 -9.220 1.00 0.00 C ATOM 1090 O LYS A 71 8.927 -6.345 -10.442 1.00 0.00 O ATOM 1091 CB LYS A 71 6.819 -8.100 -9.260 1.00 0.00 C ATOM 1092 CG LYS A 71 5.803 -6.960 -9.233 1.00 0.00 C ATOM 1093 CD LYS A 71 4.957 -6.914 -10.497 1.00 0.00 C ATOM 1094 CE LYS A 71 3.772 -7.879 -10.348 1.00 0.00 C ATOM 1095 NZ LYS A 71 2.792 -7.730 -11.438 1.00 0.00 N ATOM 0 H LYS A 71 7.274 -7.210 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 71 8.837 -8.519 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.980 -8.413 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.410 -8.958 -8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.152 -7.076 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.327 -6.012 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.596 -5.900 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.560 -7.190 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.141 -8.905 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.279 -7.702 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.010 -8.401 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.419 -6.759 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.254 -7.925 -12.349 1.00 0.00 H new ATOM 1109 N ILE A 72 9.262 -5.510 -8.393 1.00 0.00 N ATOM 1110 CA ILE A 72 9.893 -4.270 -8.838 1.00 0.00 C ATOM 1111 C ILE A 72 11.405 -4.496 -9.071 1.00 0.00 C ATOM 1112 O ILE A 72 12.176 -3.541 -9.090 1.00 0.00 O ATOM 1113 CB ILE A 72 9.544 -3.091 -7.890 1.00 0.00 C ATOM 1114 CG1 ILE A 72 8.047 -3.088 -7.492 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.809 -1.730 -8.572 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.732 -2.079 -6.383 1.00 0.00 C ATOM 0 H ILE A 72 9.192 -5.585 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 72 9.487 -3.972 -9.805 1.00 0.00 H new ATOM 0 HB ILE A 72 10.174 -3.227 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.443 -2.858 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.761 -4.086 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.556 -0.923 -7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.862 -1.658 -8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.196 -1.648 -9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.669 -2.120 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.313 -2.323 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.989 -1.075 -6.721 1.00 0.00 H new ATOM 1128 N GLU A 73 11.843 -5.745 -9.263 1.00 0.00 N ATOM 1129 CA GLU A 73 13.105 -6.160 -9.895 1.00 0.00 C ATOM 1130 C GLU A 73 14.335 -5.305 -9.542 1.00 0.00 C ATOM 1131 O GLU A 73 15.142 -4.916 -10.391 1.00 0.00 O ATOM 1132 CB GLU A 73 12.869 -6.339 -11.406 1.00 0.00 C ATOM 1133 CG GLU A 73 12.541 -5.034 -12.139 1.00 0.00 C ATOM 1134 CD GLU A 73 12.092 -5.287 -13.575 1.00 0.00 C ATOM 1135 OE1 GLU A 73 10.894 -5.576 -13.792 1.00 0.00 O ATOM 1136 OE2 GLU A 73 12.920 -5.171 -14.512 1.00 0.00 O ATOM 0 H GLU A 73 11.290 -6.548 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 73 13.387 -7.121 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.759 -6.782 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.052 -7.044 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.756 -4.503 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.419 -4.388 -12.141 1.00 0.00 H new ATOM 1144 N GLY A 74 14.488 -4.990 -8.263 1.00 0.00 N ATOM 1145 CA GLY A 74 15.423 -3.971 -7.807 1.00 0.00 C ATOM 1146 C GLY A 74 15.385 -3.822 -6.294 1.00 0.00 C ATOM 1147 O GLY A 74 16.403 -3.562 -5.661 1.00 0.00 O ATOM 0 H GLY A 74 13.965 -5.436 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.433 -4.233 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.180 -3.017 -8.275 1.00 0.00 H new ATOM 1151 N VAL A 75 14.196 -4.004 -5.737 1.00 0.00 N ATOM 1152 CA VAL A 75 13.731 -4.054 -4.354 1.00 0.00 C ATOM 1153 C VAL A 75 14.411 -5.090 -3.437 1.00 0.00 C ATOM 1154 O VAL A 75 13.831 -6.095 -3.024 1.00 0.00 O ATOM 1155 CB VAL A 75 12.217 -4.158 -4.407 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.861 -5.478 -5.091 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.628 -3.978 -3.011 1.00 0.00 C ATOM 0 H VAL A 75 13.398 -4.144 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 75 14.039 -3.137 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 75 11.771 -3.359 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.777 -5.580 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.275 -5.489 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.276 -6.308 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.542 -4.055 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.016 -4.753 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.905 -2.998 -2.623 1.00 0.00 H new ATOM 1167 N ASN A 76 15.699 -4.898 -3.243 1.00 0.00 N ATOM 1168 CA ASN A 76 16.594 -5.736 -2.462 1.00 0.00 C ATOM 1169 C ASN A 76 15.938 -6.306 -1.200 1.00 0.00 C ATOM 1170 O ASN A 76 15.790 -7.519 -1.081 1.00 0.00 O ATOM 1171 CB ASN A 76 17.745 -4.839 -2.059 1.00 0.00 C ATOM 1172 CG ASN A 76 18.728 -5.585 -1.166 1.00 0.00 C ATOM 1173 OD1 ASN A 76 19.357 -6.541 -1.607 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.891 -5.202 0.087 1.00 0.00 N ATOM 0 H ASN A 76 16.184 -4.100 -3.653 1.00 0.00 H new ATOM 0 HA ASN A 76 16.900 -6.596 -3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 76 18.259 -4.477 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.363 -3.964 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.542 -5.702 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.366 -4.406 0.450 1.00 0.00 H new ATOM 1181 N ASN A 77 15.535 -5.427 -0.274 1.00 0.00 N ATOM 1182 CA ASN A 77 14.831 -5.787 0.953 1.00 0.00 C ATOM 1183 C ASN A 77 13.519 -5.009 1.056 1.00 0.00 C ATOM 1184 O ASN A 77 13.329 -4.001 0.362 1.00 0.00 O ATOM 1185 CB ASN A 77 15.686 -5.423 2.160 1.00 0.00 C ATOM 1186 CG ASN A 77 15.134 -6.034 3.436 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.896 -7.234 3.486 1.00 0.00 O ATOM 1188 ND2 ASN A 77 14.900 -5.225 4.448 1.00 0.00 N ATOM 0 H ASN A 77 15.695 -4.424 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 77 14.631 -6.858 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.707 -5.769 2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.729 -4.339 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.506 -5.592 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.113 -4.231 4.366 1.00 0.00 H new ATOM 1195 N VAL A 78 12.633 -5.452 1.948 1.00 0.00 N ATOM 1196 CA VAL A 78 11.221 -5.144 1.889 1.00 0.00 C ATOM 1197 C VAL A 78 10.786 -4.726 3.289 1.00 0.00 C ATOM 1198 O VAL A 78 10.402 -5.554 4.111 1.00 0.00 O ATOM 1199 CB VAL A 78 10.477 -6.372 1.310 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.998 -6.062 1.114 1.00 0.00 C ATOM 1201 CG2 VAL A 78 11.154 -6.833 0.005 1.00 0.00 C ATOM 0 H VAL A 78 12.889 -6.042 2.739 1.00 0.00 H new ATOM 0 HA VAL A 78 10.982 -4.313 1.225 1.00 0.00 H new ATOM 0 HB VAL A 78 10.537 -7.196 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.494 -6.938 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.551 -5.799 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.890 -5.226 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.623 -7.697 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.129 -6.023 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.190 -7.105 0.209 1.00 0.00 H new ATOM 1211 N GLU A 79 10.870 -3.433 3.590 1.00 0.00 N ATOM 1212 CA GLU A 79 10.650 -2.896 4.919 1.00 0.00 C ATOM 1213 C GLU A 79 9.229 -2.329 4.960 1.00 0.00 C ATOM 1214 O GLU A 79 9.014 -1.121 5.045 1.00 0.00 O ATOM 1215 CB GLU A 79 11.749 -1.862 5.216 1.00 0.00 C ATOM 1216 CG GLU A 79 13.166 -2.435 5.241 1.00 0.00 C ATOM 1217 CD GLU A 79 13.424 -3.118 6.574 1.00 0.00 C ATOM 1218 OE1 GLU A 79 13.664 -2.393 7.567 1.00 0.00 O ATOM 1219 OE2 GLU A 79 13.282 -4.360 6.651 1.00 0.00 O ATOM 0 H GLU A 79 11.098 -2.719 2.898 1.00 0.00 H new ATOM 0 HA GLU A 79 10.720 -3.652 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.702 -1.074 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.542 -1.396 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.294 -3.148 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.893 -1.638 5.084 1.00 0.00 H new ATOM 1227 N VAL A 80 8.229 -3.198 4.803 1.00 0.00 N ATOM 1228 CA VAL A 80 6.831 -2.779 4.917 1.00 0.00 C ATOM 1229 C VAL A 80 6.514 -2.699 6.411 1.00 0.00 C ATOM 1230 O VAL A 80 6.495 -3.725 7.101 1.00 0.00 O ATOM 1231 CB VAL A 80 5.870 -3.737 4.178 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.423 -3.231 4.252 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.216 -3.888 2.692 1.00 0.00 C ATOM 0 H VAL A 80 8.359 -4.189 4.598 1.00 0.00 H new ATOM 0 HA VAL A 80 6.688 -1.810 4.439 1.00 0.00 H new ATOM 0 HB VAL A 80 5.978 -4.699 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.768 -3.924 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.114 -3.163 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.358 -2.246 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.509 -4.572 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.159 -2.915 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.226 -4.285 2.592 1.00 0.00 H new ATOM 1243 N GLU A 81 6.260 -1.504 6.923 1.00 0.00 N ATOM 1244 CA GLU A 81 5.810 -1.268 8.286 1.00 0.00 C ATOM 1245 C GLU A 81 4.297 -1.059 8.245 1.00 0.00 C ATOM 1246 O GLU A 81 3.786 -0.306 7.415 1.00 0.00 O ATOM 1247 CB GLU A 81 6.564 -0.063 8.861 1.00 0.00 C ATOM 1248 CG GLU A 81 8.005 -0.468 9.226 1.00 0.00 C ATOM 1249 CD GLU A 81 9.018 0.676 9.142 1.00 0.00 C ATOM 1250 OE1 GLU A 81 10.023 0.581 8.402 1.00 0.00 O ATOM 1251 OE2 GLU A 81 8.879 1.679 9.869 1.00 0.00 O ATOM 0 H GLU A 81 6.365 -0.645 6.384 1.00 0.00 H new ATOM 0 HA GLU A 81 6.020 -2.114 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.579 0.748 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.048 0.311 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.012 -0.871 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.324 -1.271 8.561 1.00 0.00 H new ATOM 1259 N LEU A 82 3.579 -1.762 9.119 1.00 0.00 N ATOM 1260 CA LEU A 82 2.119 -1.797 9.196 1.00 0.00 C ATOM 1261 C LEU A 82 1.720 -0.932 10.384 1.00 0.00 C ATOM 1262 O LEU A 82 1.736 -1.386 11.535 1.00 0.00 O ATOM 1263 CB LEU A 82 1.631 -3.253 9.323 1.00 0.00 C ATOM 1264 CG LEU A 82 0.113 -3.432 9.496 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.719 -3.008 8.286 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.155 -4.915 9.762 1.00 0.00 C ATOM 0 H LEU A 82 4.020 -2.350 9.826 1.00 0.00 H new ATOM 0 HA LEU A 82 1.651 -1.404 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.945 -3.801 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.132 -3.713 10.175 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.188 -2.784 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.776 -3.169 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.547 -1.952 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.428 -3.600 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.226 -5.074 9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.202 -5.506 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.368 -5.222 10.668 1.00 0.00 H new ATOM 1278 N THR A 83 1.464 0.344 10.130 1.00 0.00 N ATOM 1279 CA THR A 83 1.412 1.374 11.152 1.00 0.00 C ATOM 1280 C THR A 83 -0.037 1.579 11.582 1.00 0.00 C ATOM 1281 O THR A 83 -0.757 2.395 11.014 1.00 0.00 O ATOM 1282 CB THR A 83 2.048 2.642 10.575 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.305 2.344 9.990 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.257 3.690 11.661 1.00 0.00 C ATOM 0 H THR A 83 1.284 0.696 9.190 1.00 0.00 H new ATOM 0 HA THR A 83 1.970 1.091 12.045 1.00 0.00 H new ATOM 0 HB THR A 83 1.368 3.034 9.818 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.170 1.991 9.086 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.710 4.580 11.225 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.296 3.951 12.104 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.915 3.289 12.432 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.473 0.821 12.584 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.887 0.718 12.925 1.00 0.00 C ATOM 1294 C PHE A 84 -2.340 1.782 13.918 1.00 0.00 C ATOM 1295 O PHE A 84 -3.537 2.016 14.085 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.169 -0.673 13.513 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.072 -1.496 12.629 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.386 -1.065 12.375 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.579 -2.652 12.000 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -5.197 -1.775 11.478 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.392 -3.365 11.111 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.707 -2.939 10.866 1.00 0.00 C ATOM 0 H PHE A 84 0.140 0.264 13.179 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.449 0.875 12.005 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.227 -1.201 13.658 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.628 -0.563 14.496 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.771 -0.186 12.871 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.573 -2.990 12.202 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.196 -1.427 11.259 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.007 -4.243 10.613 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.343 -3.509 10.205 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.379 2.394 14.600 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.584 3.338 15.678 1.00 0.00 C ATOM 1314 C ASP A 85 -2.401 4.529 15.157 1.00 0.00 C ATOM 1315 O ASP A 85 -3.472 4.774 15.711 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.208 3.805 16.176 1.00 0.00 C ATOM 1317 CG ASP A 85 0.274 3.193 17.494 1.00 0.00 C ATOM 1318 OD1 ASP A 85 1.373 3.610 17.921 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -0.309 2.211 18.015 1.00 0.00 O ATOM 0 H ASP A 85 -0.391 2.234 14.403 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.131 2.876 16.500 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.530 3.583 15.405 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.234 4.889 16.290 1.00 0.00 H new ATOM 1325 N PRO A 86 -1.988 5.245 14.088 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.682 6.449 13.677 1.00 0.00 C ATOM 1327 C PRO A 86 -4.019 6.121 12.995 1.00 0.00 C ATOM 1328 O PRO A 86 -4.131 5.094 12.327 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.730 7.185 12.733 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.911 6.056 12.118 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.783 5.087 13.288 1.00 0.00 C ATOM 0 HA PRO A 86 -2.937 7.071 14.535 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.272 7.750 11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.100 7.895 13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.416 5.602 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.061 6.402 11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.685 4.061 12.933 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.106 5.307 13.878 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.038 6.981 13.110 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.354 6.766 12.519 1.00 0.00 C ATOM 1341 C PRO A 87 -6.365 7.126 11.022 1.00 0.00 C ATOM 1342 O PRO A 87 -6.467 8.306 10.680 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.293 7.638 13.359 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.395 8.785 13.834 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.017 8.150 13.967 1.00 0.00 C ATOM 0 HA PRO A 87 -6.664 5.721 12.540 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.133 8.005 12.769 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.711 7.083 14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.387 9.607 13.118 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.739 9.193 14.784 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.235 8.845 13.662 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.812 7.873 15.001 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.299 6.105 10.151 1.00 0.00 N ATOM 1354 CA TRP A 88 -5.983 6.142 8.712 1.00 0.00 C ATOM 1355 C TRP A 88 -6.510 7.406 8.003 1.00 0.00 C ATOM 1356 O TRP A 88 -5.760 8.384 7.947 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.316 4.774 8.073 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.661 4.740 6.621 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.840 4.956 5.568 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.981 4.514 6.061 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.596 4.993 4.412 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.933 4.768 4.665 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.222 4.165 6.624 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.088 4.743 3.874 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.390 4.147 5.840 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.317 4.423 4.462 1.00 0.00 C ATOM 0 H TRP A 88 -6.481 5.151 10.462 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.910 6.267 8.568 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.460 4.117 8.228 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.152 4.343 8.624 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.768 5.079 5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.212 5.166 3.483 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.279 3.908 7.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.031 4.969 2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.343 3.921 6.296 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.211 4.388 3.857 1.00 0.00 H new ATOM 1377 N THR A 89 -7.741 7.414 7.464 1.00 0.00 N ATOM 1378 CA THR A 89 -8.686 8.521 7.197 1.00 0.00 C ATOM 1379 C THR A 89 -9.670 8.061 6.098 1.00 0.00 C ATOM 1380 O THR A 89 -9.237 7.929 4.957 1.00 0.00 O ATOM 1381 CB THR A 89 -8.035 9.877 6.823 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.278 10.417 7.887 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.077 10.952 6.509 1.00 0.00 C ATOM 0 H THR A 89 -8.153 6.530 7.165 1.00 0.00 H new ATOM 0 HA THR A 89 -9.199 8.729 8.136 1.00 0.00 H new ATOM 0 HB THR A 89 -7.414 9.646 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.383 10.019 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.573 11.884 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.691 10.629 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.711 11.111 7.382 1.00 0.00 H new ATOM 1391 N PRO A 90 -10.978 7.861 6.339 1.00 0.00 N ATOM 1392 CA PRO A 90 -11.881 7.329 5.313 1.00 0.00 C ATOM 1393 C PRO A 90 -12.087 8.201 4.070 1.00 0.00 C ATOM 1394 O PRO A 90 -12.433 7.665 3.017 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.189 6.972 6.018 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.140 7.778 7.309 1.00 0.00 C ATOM 1397 CD PRO A 90 -11.654 7.959 7.614 1.00 0.00 C ATOM 0 HA PRO A 90 -11.409 6.450 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.055 7.239 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.257 5.902 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.638 8.741 7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.647 7.254 8.119 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.466 8.924 8.084 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.300 7.194 8.305 1.00 0.00 H new ATOM 1405 N GLU A 91 -11.826 9.511 4.127 1.00 0.00 N ATOM 1406 CA GLU A 91 -11.933 10.367 2.934 1.00 0.00 C ATOM 1407 C GLU A 91 -10.813 10.094 1.915 1.00 0.00 C ATOM 1408 O GLU A 91 -10.858 10.615 0.803 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.027 11.863 3.289 1.00 0.00 C ATOM 1410 CG GLU A 91 -10.733 12.487 3.831 1.00 0.00 C ATOM 1411 CD GLU A 91 -10.445 13.878 3.253 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -10.448 14.862 4.031 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -10.146 13.997 2.041 1.00 0.00 O ATOM 0 H GLU A 91 -11.542 10.001 4.975 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.873 10.097 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.332 12.413 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.814 11.996 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.799 12.558 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.896 11.826 3.605 1.00 0.00 H new ATOM 1421 N ARG A 92 -9.814 9.275 2.275 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.766 8.815 1.369 1.00 0.00 C ATOM 1423 C ARG A 92 -9.370 8.138 0.147 1.00 0.00 C ATOM 1424 O ARG A 92 -8.927 8.416 -0.967 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.865 7.817 2.105 1.00 0.00 C ATOM 1426 CG ARG A 92 -6.918 8.451 3.131 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.577 8.869 2.502 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.330 10.304 2.658 1.00 0.00 N ATOM 1429 CZ ARG A 92 -5.047 10.946 3.793 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -4.746 10.290 4.907 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -5.082 12.269 3.778 1.00 0.00 N ATOM 0 H ARG A 92 -9.715 8.910 3.222 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.185 9.676 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.494 7.086 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.272 7.272 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.397 9.324 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.734 7.743 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.766 8.308 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.576 8.613 1.443 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.379 10.871 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.727 9.270 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.534 10.806 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.320 12.763 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.872 12.794 4.627 1.00 0.00 H new ATOM 1445 N MET A 93 -10.387 7.294 0.344 1.00 0.00 N ATOM 1446 CA MET A 93 -10.977 6.516 -0.731 1.00 0.00 C ATOM 1447 C MET A 93 -11.527 7.409 -1.833 1.00 0.00 C ATOM 1448 O MET A 93 -11.972 8.545 -1.600 1.00 0.00 O ATOM 1449 CB MET A 93 -12.093 5.612 -0.204 1.00 0.00 C ATOM 1450 CG MET A 93 -11.526 4.463 0.626 1.00 0.00 C ATOM 1451 SD MET A 93 -12.673 3.091 0.917 1.00 0.00 S ATOM 1452 CE MET A 93 -14.158 4.008 1.400 1.00 0.00 C ATOM 0 H MET A 93 -10.819 7.136 1.255 1.00 0.00 H new ATOM 0 HA MET A 93 -10.182 5.899 -1.149 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.783 6.198 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.666 5.212 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.639 4.075 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.201 4.856 1.589 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.878 3.324 1.849 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.890 4.779 2.122 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.601 4.473 0.519 1.00 0.00 H new ATOM 1462 N SER A 94 -11.541 6.858 -3.046 1.00 0.00 N ATOM 1463 CA SER A 94 -12.005 7.547 -4.233 1.00 0.00 C ATOM 1464 C SER A 94 -13.414 8.113 -4.033 1.00 0.00 C ATOM 1465 O SER A 94 -14.240 7.521 -3.343 1.00 0.00 O ATOM 1466 CB SER A 94 -12.011 6.592 -5.426 1.00 0.00 C ATOM 1467 OG SER A 94 -10.960 5.635 -5.360 1.00 0.00 O ATOM 0 H SER A 94 -11.224 5.905 -3.226 1.00 0.00 H new ATOM 0 HA SER A 94 -11.322 8.374 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.969 6.073 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.919 7.166 -6.348 1.00 0.00 H new ATOM 0 HG SER A 94 -11.005 5.046 -6.142 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.739 9.235 -4.689 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.034 9.878 -4.546 1.00 0.00 C ATOM 1475 C PRO A 95 -16.129 9.221 -5.401 1.00 0.00 C ATOM 1476 O PRO A 95 -17.243 9.726 -5.482 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.754 11.289 -5.015 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.753 11.113 -6.149 1.00 0.00 C ATOM 1479 CD PRO A 95 -12.873 10.009 -5.571 1.00 0.00 C ATOM 0 HA PRO A 95 -15.418 9.812 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.663 11.782 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.343 11.902 -4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.231 10.816 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.193 12.026 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.460 9.383 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.029 10.428 -5.022 1.00 0.00 H new ATOM 1487 N GLU A 96 -15.835 8.117 -6.078 1.00 0.00 N ATOM 1488 CA GLU A 96 -16.848 7.193 -6.585 1.00 0.00 C ATOM 1489 C GLU A 96 -17.300 6.243 -5.469 1.00 0.00 C ATOM 1490 O GLU A 96 -18.454 5.823 -5.424 1.00 0.00 O ATOM 1491 CB GLU A 96 -16.254 6.420 -7.776 1.00 0.00 C ATOM 1492 CG GLU A 96 -17.313 5.681 -8.611 1.00 0.00 C ATOM 1493 CD GLU A 96 -17.526 4.197 -8.289 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -18.532 3.638 -8.789 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -16.660 3.551 -7.659 1.00 0.00 O ATOM 0 H GLU A 96 -14.879 7.834 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.727 7.742 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.715 7.116 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.526 5.699 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.265 6.197 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.038 5.766 -9.662 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.392 5.918 -4.542 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.605 4.868 -3.561 1.00 0.00 C ATOM 1505 C LEU A 97 -17.393 5.338 -2.363 1.00 0.00 C ATOM 1506 O LEU A 97 -18.078 4.525 -1.756 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.277 4.339 -3.031 1.00 0.00 C ATOM 1508 CG LEU A 97 -14.468 3.575 -4.078 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.130 3.267 -3.426 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.157 2.271 -4.488 1.00 0.00 C ATOM 0 H LEU A 97 -15.488 6.382 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.163 4.093 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.683 5.175 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.468 3.684 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.362 4.169 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.501 2.718 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.637 4.199 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.291 2.663 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.550 1.758 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.275 1.631 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.137 2.494 -4.909 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.296 6.613 -1.985 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.135 7.118 -0.911 1.00 0.00 C ATOM 1524 C ARG A 98 -19.609 7.052 -1.344 1.00 0.00 C ATOM 1525 O ARG A 98 -20.452 6.718 -0.518 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.629 8.499 -0.453 1.00 0.00 C ATOM 1527 CG ARG A 98 -16.256 8.387 0.231 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.110 9.168 -0.420 1.00 0.00 C ATOM 1529 NE ARG A 98 -14.895 10.483 0.217 1.00 0.00 N ATOM 1530 CZ ARG A 98 -14.104 11.459 -0.245 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -13.396 11.285 -1.356 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -14.012 12.613 0.403 1.00 0.00 N ATOM 0 H ARG A 98 -16.660 7.296 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.070 6.494 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.558 9.167 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.347 8.942 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.358 8.725 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.976 7.334 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.193 8.582 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.326 9.311 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.394 10.664 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.453 10.402 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.796 12.034 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.546 12.761 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.407 13.352 0.045 1.00 0.00 H new ATOM 1546 N GLU A 99 -19.912 7.241 -2.630 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.231 7.012 -3.210 1.00 0.00 C ATOM 1548 C GLU A 99 -21.553 5.525 -3.362 1.00 0.00 C ATOM 1549 O GLU A 99 -22.711 5.150 -3.184 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.340 7.715 -4.573 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.904 9.132 -4.409 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.126 9.865 -5.732 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -22.859 10.880 -5.719 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -21.549 9.497 -6.786 1.00 0.00 O ATOM 0 H GLU A 99 -19.227 7.566 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.962 7.433 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.358 7.761 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.984 7.137 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.851 9.076 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.221 9.715 -3.791 1.00 0.00 H new ATOM 1562 N LYS A 100 -20.577 4.662 -3.672 1.00 0.00 N ATOM 1563 CA LYS A 100 -20.787 3.210 -3.690 1.00 0.00 C ATOM 1564 C LYS A 100 -21.220 2.739 -2.301 1.00 0.00 C ATOM 1565 O LYS A 100 -22.336 2.238 -2.150 1.00 0.00 O ATOM 1566 CB LYS A 100 -19.522 2.478 -4.174 1.00 0.00 C ATOM 1567 CG LYS A 100 -19.748 0.957 -4.269 1.00 0.00 C ATOM 1568 CD LYS A 100 -18.429 0.176 -4.265 1.00 0.00 C ATOM 1569 CE LYS A 100 -17.936 -0.220 -5.655 1.00 0.00 C ATOM 1570 NZ LYS A 100 -18.237 -1.638 -5.939 1.00 0.00 N ATOM 0 H LYS A 100 -19.628 4.948 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 100 -21.581 2.970 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.228 2.864 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -18.699 2.682 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -20.365 0.630 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -20.301 0.729 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.663 0.779 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.554 -0.725 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.408 0.413 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -16.861 -0.051 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.892 -1.883 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.766 -2.241 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.265 -1.790 -5.894 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.294 2.843 -1.348 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.370 2.296 -0.007 1.00 0.00 C ATOM 1586 C PHE A 101 -21.315 3.101 0.899 1.00 0.00 C ATOM 1587 O PHE A 101 -22.054 3.986 0.455 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.943 2.268 0.564 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.885 1.518 -0.229 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -18.166 0.285 -0.843 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -16.570 2.012 -0.250 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.123 -0.477 -1.396 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -15.526 1.254 -0.809 1.00 0.00 C ATOM 1594 CZ PHE A 101 -15.803 -0.004 -1.368 1.00 0.00 C ATOM 0 H PHE A 101 -19.420 3.343 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.787 1.290 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.608 3.298 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.988 1.831 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -19.183 -0.076 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -16.359 2.985 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.340 -1.435 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.516 1.637 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.003 -0.605 -1.775 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.275 2.797 2.197 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.060 3.430 3.239 1.00 0.00 C ATOM 1606 C GLY A 102 -21.131 3.814 4.375 1.00 0.00 C ATOM 1607 O GLY A 102 -21.260 3.274 5.471 1.00 0.00 O ATOM 0 H GLY A 102 -20.662 2.067 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.566 4.313 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.834 2.751 3.596 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.158 4.681 4.088 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.102 5.098 5.001 1.00 0.00 C ATOM 1613 C VAL A 103 -19.745 5.728 6.229 1.00 0.00 C ATOM 1614 O VAL A 103 -19.714 5.100 7.309 1.00 0.00 O ATOM 1615 CB VAL A 103 -18.129 6.031 4.245 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.981 6.516 5.137 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.508 5.332 3.019 1.00 0.00 C ATOM 0 H VAL A 103 -20.085 5.128 3.174 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.507 4.257 5.357 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.730 6.883 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.324 7.168 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.387 7.067 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.414 5.658 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.830 6.019 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.956 4.450 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.299 5.032 2.332 1.00 0.00 H new