USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 117:sc= 0.992 USER MOD Set 1.2: A 87 TYR OH : rot -75:sc= 1.66 USER MOD Set 2.1: A 84 SER OG : rot 18:sc= 0.0715 USER MOD Set 2.2: A 95 SER OG : rot -139:sc= -0.545 USER MOD Set 3.1: A 76 SER OG : rot -117:sc= 0.857 USER MOD Set 3.2: A 81 TYR OH : rot 180:sc= -0.243 USER MOD Set 4.1: A 64 ASN : amide:sc= -2.33 K(o=-3.1,f=-1.4) USER MOD Set 4.2: A 68 THR OG1 : rot 180:sc= -0.749 USER MOD Set 4.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 60 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.44) USER MOD Set 5.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= -0.0132 (180deg=-0.397) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -5.92! C(o=-5.9!,f=-6.5!) USER MOD Single : A 32 SER OG : rot 19:sc= -0.348 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= -0.164 (180deg=-1.76) USER MOD Single : A 69 HIS : no HD1:sc= -2.04 K(o=-2,f=-0.81) USER MOD Single : A 73 TYR OH : rot -179:sc= 0.7 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -3.05! C(o=-3!,f=-2.5!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0463) USER MOD Single : A 98 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.00156) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -18:sc= -0.45 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.795 20.337 5.041 1.00 0.00 N ATOM 83 CA VAL A 9 1.672 18.942 4.637 1.00 0.00 C ATOM 84 C VAL A 9 0.283 18.398 4.949 1.00 0.00 C ATOM 85 O VAL A 9 -0.183 18.472 6.087 1.00 0.00 O ATOM 86 CB VAL A 9 2.725 18.061 5.336 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.417 16.587 5.120 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.121 18.401 4.837 1.00 0.00 C ATOM 0 HA VAL A 9 1.837 18.909 3.560 1.00 0.00 H new ATOM 0 HB VAL A 9 2.688 18.262 6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.171 15.980 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.434 16.357 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.424 16.366 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.852 17.769 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.175 18.230 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.338 19.448 5.049 1.00 0.00 H new ATOM 98 N ASP A 10 -0.375 17.852 3.933 1.00 0.00 N ATOM 99 CA ASP A 10 -1.712 17.294 4.098 1.00 0.00 C ATOM 100 C ASP A 10 -1.721 15.802 3.783 1.00 0.00 C ATOM 101 O ASP A 10 -1.848 15.387 2.630 1.00 0.00 O ATOM 102 CB ASP A 10 -2.709 18.025 3.198 1.00 0.00 C ATOM 103 CG ASP A 10 -2.844 19.492 3.556 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.434 19.792 4.616 1.00 0.00 O ATOM 105 OD2 ASP A 10 -2.361 20.340 2.777 1.00 0.00 O ATOM 0 H ASP A 10 -0.004 17.784 2.985 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.009 17.429 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.390 17.935 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.684 17.544 3.275 1.00 0.00 H new ATOM 110 N PRO A 11 -1.583 14.974 4.828 1.00 0.00 N ATOM 111 CA PRO A 11 -1.571 13.515 4.688 1.00 0.00 C ATOM 112 C PRO A 11 -2.938 12.959 4.304 1.00 0.00 C ATOM 113 O PRO A 11 -3.104 11.749 4.141 1.00 0.00 O ATOM 114 CB PRO A 11 -1.168 13.027 6.081 1.00 0.00 C ATOM 115 CG PRO A 11 -1.591 14.118 7.002 1.00 0.00 C ATOM 116 CD PRO A 11 -1.428 15.398 6.231 1.00 0.00 C ATOM 0 HA PRO A 11 -0.898 13.188 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.660 12.087 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.094 12.851 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.625 13.982 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.980 14.126 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.179 16.135 6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.453 15.852 6.408 1.00 0.00 H new ATOM 124 N SER A 12 -3.915 13.849 4.158 1.00 0.00 N ATOM 125 CA SER A 12 -5.269 13.446 3.796 1.00 0.00 C ATOM 126 C SER A 12 -5.514 13.645 2.304 1.00 0.00 C ATOM 127 O SER A 12 -6.610 13.394 1.803 1.00 0.00 O ATOM 128 CB SER A 12 -6.294 14.245 4.604 1.00 0.00 C ATOM 129 OG SER A 12 -6.150 14.004 5.992 1.00 0.00 O ATOM 0 H SER A 12 -3.794 14.854 4.285 1.00 0.00 H new ATOM 0 HA SER A 12 -5.381 12.387 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.171 15.309 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.301 13.975 4.288 1.00 0.00 H new ATOM 0 HG SER A 12 -6.815 14.528 6.486 1.00 0.00 H new ATOM 135 N LYS A 13 -4.484 14.097 1.597 1.00 0.00 N ATOM 136 CA LYS A 13 -4.583 14.329 0.161 1.00 0.00 C ATOM 137 C LYS A 13 -3.871 13.229 -0.619 1.00 0.00 C ATOM 138 O LYS A 13 -3.945 13.176 -1.846 1.00 0.00 O ATOM 139 CB LYS A 13 -3.988 15.692 -0.199 1.00 0.00 C ATOM 140 CG LYS A 13 -4.546 16.837 0.628 1.00 0.00 C ATOM 141 CD LYS A 13 -6.034 17.028 0.384 1.00 0.00 C ATOM 142 CE LYS A 13 -6.384 16.854 -1.086 1.00 0.00 C ATOM 143 NZ LYS A 13 -7.709 17.448 -1.414 1.00 0.00 N ATOM 0 H LYS A 13 -3.570 14.310 1.996 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.638 14.317 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.907 15.653 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.174 15.893 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.372 16.641 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.015 17.757 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.597 16.310 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.334 18.022 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.614 17.321 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.390 15.793 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.911 17.309 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.447 16.985 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.696 18.466 -1.201 1.00 0.00 H new ATOM 157 N VAL A 14 -3.180 12.351 0.102 1.00 0.00 N ATOM 158 CA VAL A 14 -2.455 11.251 -0.522 1.00 0.00 C ATOM 159 C VAL A 14 -3.337 10.013 -0.648 1.00 0.00 C ATOM 160 O VAL A 14 -3.959 9.580 0.322 1.00 0.00 O ATOM 161 CB VAL A 14 -1.190 10.887 0.278 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.526 10.686 1.747 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.534 9.643 -0.303 1.00 0.00 C ATOM 0 H VAL A 14 -3.107 12.381 1.119 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.163 11.588 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.483 11.713 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.620 10.430 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.948 11.605 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.251 9.879 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.358 9.399 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.234 8.808 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.256 9.829 -1.340 1.00 0.00 H new ATOM 173 N LYS A 15 -3.386 9.449 -1.850 1.00 0.00 N ATOM 174 CA LYS A 15 -4.191 8.259 -2.104 1.00 0.00 C ATOM 175 C LYS A 15 -3.369 7.190 -2.818 1.00 0.00 C ATOM 176 O LYS A 15 -2.210 7.415 -3.168 1.00 0.00 O ATOM 177 CB LYS A 15 -5.418 8.618 -2.942 1.00 0.00 C ATOM 178 CG LYS A 15 -6.608 9.075 -2.114 1.00 0.00 C ATOM 179 CD LYS A 15 -7.407 7.895 -1.588 1.00 0.00 C ATOM 180 CE LYS A 15 -8.483 7.465 -2.574 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.606 8.441 -2.627 1.00 0.00 N ATOM 0 H LYS A 15 -2.878 9.796 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.519 7.860 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.150 9.408 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.710 7.751 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.259 9.681 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.253 9.710 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.736 7.058 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.869 8.162 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.045 7.360 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.866 6.485 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.475 7.955 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.751 8.855 -1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.378 9.196 -3.306 1.00 0.00 H new ATOM 195 N ILE A 16 -3.978 6.028 -3.032 1.00 0.00 N ATOM 196 CA ILE A 16 -3.304 4.926 -3.706 1.00 0.00 C ATOM 197 C ILE A 16 -4.281 4.121 -4.557 1.00 0.00 C ATOM 198 O ILE A 16 -5.379 3.791 -4.112 1.00 0.00 O ATOM 199 CB ILE A 16 -2.620 3.983 -2.699 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.668 3.267 -1.845 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.651 4.760 -1.820 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.074 2.440 -0.727 1.00 0.00 C ATOM 0 H ILE A 16 -4.937 5.826 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.544 5.369 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.055 3.232 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.345 4.007 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.267 2.620 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.175 4.080 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.889 5.227 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.194 5.530 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.875 1.961 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.420 1.676 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.499 3.085 -0.063 1.00 0.00 H new ATOM 214 N ALA A 17 -3.873 3.808 -5.782 1.00 0.00 N ATOM 215 CA ALA A 17 -4.710 3.039 -6.694 1.00 0.00 C ATOM 216 C ALA A 17 -3.878 2.044 -7.495 1.00 0.00 C ATOM 217 O ALA A 17 -2.962 2.429 -8.221 1.00 0.00 O ATOM 218 CB ALA A 17 -5.468 3.970 -7.627 1.00 0.00 C ATOM 0 H ALA A 17 -2.967 4.076 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.429 2.475 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.089 3.382 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.100 4.637 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.759 4.560 -8.207 1.00 0.00 H new ATOM 224 N GLY A 18 -4.205 0.762 -7.361 1.00 0.00 N ATOM 225 CA GLY A 18 -3.477 -0.269 -8.079 1.00 0.00 C ATOM 226 C GLY A 18 -4.043 -1.654 -7.836 1.00 0.00 C ATOM 227 O GLY A 18 -4.876 -1.862 -6.953 1.00 0.00 O ATOM 0 H GLY A 18 -4.961 0.419 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.503 -0.051 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.430 -0.249 -7.775 1.00 0.00 H new ATOM 231 N PRO A 19 -3.587 -2.632 -8.633 1.00 0.00 N ATOM 232 CA PRO A 19 -4.040 -4.021 -8.521 1.00 0.00 C ATOM 233 C PRO A 19 -3.539 -4.692 -7.246 1.00 0.00 C ATOM 234 O PRO A 19 -4.161 -5.624 -6.738 1.00 0.00 O ATOM 235 CB PRO A 19 -3.433 -4.693 -9.754 1.00 0.00 C ATOM 236 CG PRO A 19 -2.239 -3.866 -10.088 1.00 0.00 C ATOM 237 CD PRO A 19 -2.593 -2.455 -9.706 1.00 0.00 C ATOM 0 HA PRO A 19 -5.127 -4.093 -8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.153 -5.725 -9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.142 -4.716 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.361 -4.210 -9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.001 -3.935 -11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.721 -1.902 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.006 -1.902 -10.549 1.00 0.00 H new ATOM 245 N GLY A 20 -2.409 -4.212 -6.734 1.00 0.00 N ATOM 246 CA GLY A 20 -1.844 -4.778 -5.524 1.00 0.00 C ATOM 247 C GLY A 20 -2.735 -4.570 -4.316 1.00 0.00 C ATOM 248 O GLY A 20 -2.679 -5.336 -3.353 1.00 0.00 O ATOM 0 H GLY A 20 -1.875 -3.441 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.677 -5.845 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.870 -4.326 -5.335 1.00 0.00 H new ATOM 252 N LEU A 21 -3.559 -3.529 -4.363 1.00 0.00 N ATOM 253 CA LEU A 21 -4.466 -3.220 -3.262 1.00 0.00 C ATOM 254 C LEU A 21 -5.870 -3.745 -3.550 1.00 0.00 C ATOM 255 O LEU A 21 -6.733 -3.749 -2.673 1.00 0.00 O ATOM 256 CB LEU A 21 -4.512 -1.711 -3.022 1.00 0.00 C ATOM 257 CG LEU A 21 -3.159 -1.002 -2.937 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.282 0.441 -3.399 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.613 -1.065 -1.517 1.00 0.00 C ATOM 0 H LEU A 21 -3.618 -2.884 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.091 -3.713 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.089 -1.253 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.055 -1.527 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.460 -1.514 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.310 0.929 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.628 0.464 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.996 0.966 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.650 -0.556 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.311 -0.578 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.486 -2.107 -1.222 1.00 0.00 H new ATOM 271 N GLY A 22 -6.089 -4.188 -4.785 1.00 0.00 N ATOM 272 CA GLY A 22 -7.388 -4.710 -5.165 1.00 0.00 C ATOM 273 C GLY A 22 -7.713 -6.019 -4.473 1.00 0.00 C ATOM 274 O GLY A 22 -6.927 -6.513 -3.665 1.00 0.00 O ATOM 0 H GLY A 22 -5.390 -4.194 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.156 -3.975 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.415 -4.857 -6.245 1.00 0.00 H new ATOM 278 N SER A 23 -8.874 -6.582 -4.790 1.00 0.00 N ATOM 279 CA SER A 23 -9.303 -7.840 -4.190 1.00 0.00 C ATOM 280 C SER A 23 -8.860 -9.026 -5.040 1.00 0.00 C ATOM 281 O SER A 23 -9.012 -10.181 -4.642 1.00 0.00 O ATOM 282 CB SER A 23 -10.823 -7.857 -4.023 1.00 0.00 C ATOM 283 OG SER A 23 -11.235 -6.957 -3.008 1.00 0.00 O ATOM 0 H SER A 23 -9.535 -6.187 -5.459 1.00 0.00 H new ATOM 0 HA SER A 23 -8.836 -7.924 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.299 -7.589 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.153 -8.866 -3.775 1.00 0.00 H new ATOM 0 HG SER A 23 -12.211 -6.985 -2.922 1.00 0.00 H new ATOM 289 N GLY A 24 -8.309 -8.733 -6.214 1.00 0.00 N ATOM 290 CA GLY A 24 -7.852 -9.786 -7.102 1.00 0.00 C ATOM 291 C GLY A 24 -6.378 -10.093 -6.927 1.00 0.00 C ATOM 292 O GLY A 24 -5.636 -10.191 -7.905 1.00 0.00 O ATOM 0 H GLY A 24 -8.171 -7.786 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.433 -10.690 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.039 -9.492 -8.135 1.00 0.00 H new ATOM 296 N VAL A 25 -5.950 -10.243 -5.678 1.00 0.00 N ATOM 297 CA VAL A 25 -4.555 -10.540 -5.377 1.00 0.00 C ATOM 298 C VAL A 25 -4.350 -12.033 -5.140 1.00 0.00 C ATOM 299 O VAL A 25 -5.177 -12.691 -4.508 1.00 0.00 O ATOM 300 CB VAL A 25 -4.069 -9.764 -4.139 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.631 -10.129 -3.810 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.212 -8.265 -4.361 1.00 0.00 C ATOM 0 H VAL A 25 -6.550 -10.164 -4.857 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.972 -10.228 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.691 -10.043 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.306 -9.571 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.565 -11.198 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.990 -9.881 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.864 -7.731 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.616 -7.966 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.259 -8.022 -4.543 1.00 0.00 H new ATOM 312 N ARG A 26 -3.242 -12.560 -5.652 1.00 0.00 N ATOM 313 CA ARG A 26 -2.929 -13.975 -5.497 1.00 0.00 C ATOM 314 C ARG A 26 -1.583 -14.160 -4.802 1.00 0.00 C ATOM 315 O ARG A 26 -0.664 -13.363 -4.985 1.00 0.00 O ATOM 316 CB ARG A 26 -2.909 -14.668 -6.861 1.00 0.00 C ATOM 317 CG ARG A 26 -4.260 -14.677 -7.558 1.00 0.00 C ATOM 318 CD ARG A 26 -4.315 -15.730 -8.654 1.00 0.00 C ATOM 319 NE ARG A 26 -5.542 -15.639 -9.440 1.00 0.00 N ATOM 320 CZ ARG A 26 -6.727 -16.048 -9.002 1.00 0.00 C ATOM 321 NH1 ARG A 26 -6.844 -16.574 -7.791 1.00 0.00 N ATOM 322 NH2 ARG A 26 -7.798 -15.932 -9.777 1.00 0.00 N ATOM 0 H ARG A 26 -2.547 -12.029 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.704 -14.427 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.182 -14.169 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.569 -15.696 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.046 -14.869 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.456 -13.694 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.454 -15.614 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.243 -16.722 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.486 -15.239 -10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.023 -16.665 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.755 -16.887 -7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.711 -15.528 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.708 -16.246 -9.440 1.00 0.00 H new ATOM 336 N ALA A 27 -1.475 -15.218 -4.005 1.00 0.00 N ATOM 337 CA ALA A 27 -0.242 -15.509 -3.284 1.00 0.00 C ATOM 338 C ALA A 27 0.903 -15.796 -4.249 1.00 0.00 C ATOM 339 O ALA A 27 0.684 -16.269 -5.365 1.00 0.00 O ATOM 340 CB ALA A 27 -0.447 -16.685 -2.340 1.00 0.00 C ATOM 0 H ALA A 27 -2.227 -15.888 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 27 0.023 -14.629 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.482 -16.891 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.230 -16.443 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.740 -17.565 -2.913 1.00 0.00 H new ATOM 346 N ARG A 28 2.126 -15.508 -3.813 1.00 0.00 N ATOM 347 CA ARG A 28 3.305 -15.733 -4.639 1.00 0.00 C ATOM 348 C ARG A 28 3.159 -15.048 -5.994 1.00 0.00 C ATOM 349 O ARG A 28 3.592 -15.575 -7.018 1.00 0.00 O ATOM 350 CB ARG A 28 3.536 -17.233 -4.836 1.00 0.00 C ATOM 351 CG ARG A 28 3.713 -17.999 -3.534 1.00 0.00 C ATOM 352 CD ARG A 28 4.515 -19.273 -3.743 1.00 0.00 C ATOM 353 NE ARG A 28 4.730 -19.995 -2.492 1.00 0.00 N ATOM 354 CZ ARG A 28 5.480 -21.087 -2.393 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.085 -21.579 -3.464 1.00 0.00 N ATOM 356 NH2 ARG A 28 5.628 -21.687 -1.218 1.00 0.00 N ATOM 0 H ARG A 28 2.325 -15.118 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 28 4.165 -15.303 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.692 -17.653 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.421 -17.377 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.217 -17.366 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.735 -18.247 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.993 -19.919 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.478 -19.026 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 28 4.280 -19.641 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.976 -21.119 -4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.660 -22.418 -3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.166 -21.310 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.204 -22.525 -1.142 1.00 0.00 H new ATOM 370 N VAL A 29 2.544 -13.870 -5.992 1.00 0.00 N ATOM 371 CA VAL A 29 2.340 -13.111 -7.220 1.00 0.00 C ATOM 372 C VAL A 29 2.858 -11.685 -7.078 1.00 0.00 C ATOM 373 O VAL A 29 2.837 -11.111 -5.988 1.00 0.00 O ATOM 374 CB VAL A 29 0.851 -13.067 -7.613 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.670 -12.345 -8.939 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.277 -14.475 -7.681 1.00 0.00 C ATOM 0 H VAL A 29 2.178 -13.420 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 29 2.900 -13.622 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 29 0.307 -12.513 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.388 -12.324 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.043 -11.324 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.225 -12.869 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.776 -14.426 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.823 -15.055 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.372 -14.954 -6.707 1.00 0.00 H new ATOM 386 N LEU A 30 3.324 -11.117 -8.185 1.00 0.00 N ATOM 387 CA LEU A 30 3.849 -9.756 -8.185 1.00 0.00 C ATOM 388 C LEU A 30 2.724 -8.739 -8.019 1.00 0.00 C ATOM 389 O LEU A 30 1.896 -8.564 -8.914 1.00 0.00 O ATOM 390 CB LEU A 30 4.612 -9.481 -9.482 1.00 0.00 C ATOM 391 CG LEU A 30 5.319 -8.129 -9.572 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.685 -8.196 -8.906 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.451 -7.691 -11.023 1.00 0.00 C ATOM 0 H LEU A 30 3.349 -11.578 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 30 4.532 -9.657 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.356 -10.267 -9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.913 -9.559 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 30 4.716 -7.390 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.174 -7.225 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.565 -8.463 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.296 -8.948 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.957 -6.726 -11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.031 -8.431 -11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.460 -7.602 -11.468 1.00 0.00 H new ATOM 405 N GLN A 31 2.701 -8.070 -6.870 1.00 0.00 N ATOM 406 CA GLN A 31 1.678 -7.070 -6.589 1.00 0.00 C ATOM 407 C GLN A 31 2.296 -5.681 -6.464 1.00 0.00 C ATOM 408 O GLN A 31 3.242 -5.477 -5.704 1.00 0.00 O ATOM 409 CB GLN A 31 0.929 -7.425 -5.303 1.00 0.00 C ATOM 410 CG GLN A 31 0.423 -8.858 -5.270 1.00 0.00 C ATOM 411 CD GLN A 31 -0.622 -9.133 -6.333 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.020 -8.235 -7.077 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.074 -10.380 -6.411 1.00 0.00 N ATOM 0 H GLN A 31 3.379 -8.203 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 31 0.974 -7.062 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.589 -7.262 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.084 -6.747 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.263 -9.539 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.000 -9.067 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.717 -11.093 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.778 -10.625 -7.107 1.00 0.00 H new ATOM 422 N SER A 32 1.755 -4.729 -7.218 1.00 0.00 N ATOM 423 CA SER A 32 2.255 -3.359 -7.195 1.00 0.00 C ATOM 424 C SER A 32 1.112 -2.361 -7.359 1.00 0.00 C ATOM 425 O SER A 32 0.062 -2.687 -7.912 1.00 0.00 O ATOM 426 CB SER A 32 3.290 -3.154 -8.302 1.00 0.00 C ATOM 427 OG SER A 32 4.109 -2.029 -8.032 1.00 0.00 O ATOM 0 H SER A 32 0.971 -4.881 -7.852 1.00 0.00 H new ATOM 0 HA SER A 32 2.728 -3.186 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.910 -4.046 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.783 -3.018 -9.257 1.00 0.00 H new ATOM 0 HG SER A 32 4.050 -1.802 -7.080 1.00 0.00 H new ATOM 433 N PHE A 33 1.327 -1.142 -6.874 1.00 0.00 N ATOM 434 CA PHE A 33 0.316 -0.095 -6.966 1.00 0.00 C ATOM 435 C PHE A 33 0.967 1.279 -7.102 1.00 0.00 C ATOM 436 O PHE A 33 2.192 1.397 -7.154 1.00 0.00 O ATOM 437 CB PHE A 33 -0.591 -0.123 -5.734 1.00 0.00 C ATOM 438 CG PHE A 33 0.163 -0.111 -4.434 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.797 -1.254 -3.976 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.236 1.044 -3.672 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.492 -1.246 -2.781 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.930 1.058 -2.477 1.00 0.00 C ATOM 443 CZ PHE A 33 1.557 -0.089 -2.029 1.00 0.00 C ATOM 0 H PHE A 33 2.191 -0.855 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.286 -0.282 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.259 0.737 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.217 -1.014 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.748 -2.162 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.255 1.943 -4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.984 -2.143 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.982 1.965 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.096 -0.081 -1.093 1.00 0.00 H new ATOM 453 N THR A 34 0.138 2.317 -7.157 1.00 0.00 N ATOM 454 CA THR A 34 0.631 3.682 -7.288 1.00 0.00 C ATOM 455 C THR A 34 0.170 4.547 -6.121 1.00 0.00 C ATOM 456 O THR A 34 -1.014 4.576 -5.785 1.00 0.00 O ATOM 457 CB THR A 34 0.160 4.325 -8.607 1.00 0.00 C ATOM 458 OG1 THR A 34 0.605 3.543 -9.720 1.00 0.00 O ATOM 459 CG2 THR A 34 0.688 5.746 -8.734 1.00 0.00 C ATOM 0 H THR A 34 -0.878 2.238 -7.113 1.00 0.00 H new ATOM 0 HA THR A 34 1.720 3.627 -7.288 1.00 0.00 H new ATOM 0 HB THR A 34 -0.929 4.358 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.300 3.958 -10.554 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.343 6.180 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.322 6.346 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.778 5.732 -8.720 1.00 0.00 H new ATOM 467 N VAL A 35 1.114 5.253 -5.505 1.00 0.00 N ATOM 468 CA VAL A 35 0.804 6.121 -4.375 1.00 0.00 C ATOM 469 C VAL A 35 0.902 7.590 -4.769 1.00 0.00 C ATOM 470 O VAL A 35 1.996 8.126 -4.943 1.00 0.00 O ATOM 471 CB VAL A 35 1.747 5.855 -3.188 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.361 6.717 -1.995 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.734 4.380 -2.817 1.00 0.00 C ATOM 0 H VAL A 35 2.099 5.241 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.219 5.896 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 35 2.761 6.122 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.039 6.515 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.428 7.770 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.340 6.485 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.406 4.210 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.723 4.084 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.064 3.787 -3.670 1.00 0.00 H new ATOM 483 N ASP A 36 -0.250 8.238 -4.906 1.00 0.00 N ATOM 484 CA ASP A 36 -0.296 9.648 -5.277 1.00 0.00 C ATOM 485 C ASP A 36 -0.247 10.538 -4.039 1.00 0.00 C ATOM 486 O ASP A 36 -1.188 10.568 -3.247 1.00 0.00 O ATOM 487 CB ASP A 36 -1.561 9.945 -6.084 1.00 0.00 C ATOM 488 CG ASP A 36 -1.541 11.327 -6.705 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.163 12.288 -6.003 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.902 11.450 -7.895 1.00 0.00 O ATOM 0 H ASP A 36 -1.165 7.809 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 36 0.577 9.864 -5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.670 9.198 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.432 9.854 -5.435 1.00 0.00 H new ATOM 495 N SER A 37 0.858 11.261 -3.880 1.00 0.00 N ATOM 496 CA SER A 37 1.031 12.148 -2.735 1.00 0.00 C ATOM 497 C SER A 37 1.423 13.550 -3.190 1.00 0.00 C ATOM 498 O SER A 37 2.034 14.311 -2.439 1.00 0.00 O ATOM 499 CB SER A 37 2.096 11.591 -1.788 1.00 0.00 C ATOM 500 OG SER A 37 3.396 11.990 -2.190 1.00 0.00 O ATOM 0 H SER A 37 1.645 11.250 -4.528 1.00 0.00 H new ATOM 0 HA SER A 37 0.080 12.208 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.903 11.939 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.036 10.503 -1.768 1.00 0.00 H new ATOM 0 HG SER A 37 3.796 12.552 -1.494 1.00 0.00 H new ATOM 506 N SER A 38 1.066 13.887 -4.425 1.00 0.00 N ATOM 507 CA SER A 38 1.383 15.196 -4.983 1.00 0.00 C ATOM 508 C SER A 38 0.590 16.292 -4.280 1.00 0.00 C ATOM 509 O SER A 38 1.077 17.408 -4.095 1.00 0.00 O ATOM 510 CB SER A 38 1.088 15.219 -6.484 1.00 0.00 C ATOM 511 OG SER A 38 1.934 16.136 -7.157 1.00 0.00 O ATOM 0 H SER A 38 0.557 13.271 -5.059 1.00 0.00 H new ATOM 0 HA SER A 38 2.445 15.383 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.225 14.221 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.046 15.493 -6.649 1.00 0.00 H new ATOM 0 HG SER A 38 1.726 16.130 -8.115 1.00 0.00 H new ATOM 517 N LYS A 39 -0.638 15.968 -3.889 1.00 0.00 N ATOM 518 CA LYS A 39 -1.502 16.923 -3.204 1.00 0.00 C ATOM 519 C LYS A 39 -1.243 16.909 -1.701 1.00 0.00 C ATOM 520 O LYS A 39 -1.761 17.750 -0.966 1.00 0.00 O ATOM 521 CB LYS A 39 -2.972 16.602 -3.482 1.00 0.00 C ATOM 522 CG LYS A 39 -3.371 16.785 -4.937 1.00 0.00 C ATOM 523 CD LYS A 39 -4.852 17.090 -5.074 1.00 0.00 C ATOM 524 CE LYS A 39 -5.673 15.818 -5.225 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.722 15.037 -3.959 1.00 0.00 N ATOM 0 H LYS A 39 -1.058 15.050 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.276 17.919 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.172 15.572 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.599 17.241 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.789 17.596 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.131 15.881 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.193 17.642 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.013 17.733 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.687 16.074 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.246 15.202 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.153 14.173 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.341 15.612 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.707 14.779 -3.748 1.00 0.00 H new ATOM 539 N ALA A 40 -0.438 15.952 -1.252 1.00 0.00 N ATOM 540 CA ALA A 40 -0.108 15.834 0.163 1.00 0.00 C ATOM 541 C ALA A 40 1.030 16.775 0.542 1.00 0.00 C ATOM 542 O ALA A 40 1.055 17.321 1.644 1.00 0.00 O ATOM 543 CB ALA A 40 0.259 14.396 0.500 1.00 0.00 C ATOM 0 H ALA A 40 -0.002 15.247 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.987 16.119 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.503 14.322 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.584 13.743 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.121 14.092 -0.093 1.00 0.00 H new ATOM 549 N GLY A 41 1.971 16.960 -0.379 1.00 0.00 N ATOM 550 CA GLY A 41 3.099 17.837 -0.121 1.00 0.00 C ATOM 551 C GLY A 41 4.427 17.182 -0.447 1.00 0.00 C ATOM 552 O GLY A 41 4.531 16.416 -1.407 1.00 0.00 O ATOM 0 H GLY A 41 1.973 16.519 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.991 18.747 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.092 18.135 0.927 1.00 0.00 H new ATOM 556 N LEU A 42 5.445 17.485 0.350 1.00 0.00 N ATOM 557 CA LEU A 42 6.775 16.922 0.141 1.00 0.00 C ATOM 558 C LEU A 42 7.128 15.933 1.248 1.00 0.00 C ATOM 559 O LEU A 42 8.294 15.594 1.441 1.00 0.00 O ATOM 560 CB LEU A 42 7.819 18.038 0.087 1.00 0.00 C ATOM 561 CG LEU A 42 7.485 19.309 0.869 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.357 20.071 0.191 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.116 18.970 2.305 1.00 0.00 C ATOM 0 H LEU A 42 5.376 18.117 1.147 1.00 0.00 H new ATOM 0 HA LEU A 42 6.772 16.389 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.763 17.643 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.978 18.309 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 42 8.369 19.947 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.133 20.972 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.660 20.347 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.469 19.441 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.881 19.886 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.247 18.312 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.955 18.468 2.787 1.00 0.00 H new ATOM 575 N ALA A 43 6.110 15.471 1.968 1.00 0.00 N ATOM 576 CA ALA A 43 6.313 14.517 3.051 1.00 0.00 C ATOM 577 C ALA A 43 6.572 13.116 2.507 1.00 0.00 C ATOM 578 O ALA A 43 6.071 12.732 1.450 1.00 0.00 O ATOM 579 CB ALA A 43 5.108 14.510 3.980 1.00 0.00 C ATOM 0 H ALA A 43 5.138 15.742 1.821 1.00 0.00 H new ATOM 0 HA ALA A 43 7.192 14.827 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.273 13.793 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.969 15.505 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.217 14.227 3.419 1.00 0.00 H new ATOM 585 N PRO A 44 7.374 12.333 3.245 1.00 0.00 N ATOM 586 CA PRO A 44 7.718 10.962 2.856 1.00 0.00 C ATOM 587 C PRO A 44 6.529 10.014 2.964 1.00 0.00 C ATOM 588 O PRO A 44 5.501 10.354 3.549 1.00 0.00 O ATOM 589 CB PRO A 44 8.807 10.572 3.859 1.00 0.00 C ATOM 590 CG PRO A 44 8.550 11.431 5.049 1.00 0.00 C ATOM 591 CD PRO A 44 8.005 12.727 4.516 1.00 0.00 C ATOM 0 HA PRO A 44 8.036 10.900 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.750 9.514 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.802 10.748 3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.838 10.957 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.466 11.597 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.284 13.172 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.795 13.462 4.362 1.00 0.00 H new ATOM 599 N LEU A 45 6.676 8.822 2.397 1.00 0.00 N ATOM 600 CA LEU A 45 5.614 7.822 2.429 1.00 0.00 C ATOM 601 C LEU A 45 6.122 6.507 3.010 1.00 0.00 C ATOM 602 O LEU A 45 7.130 5.965 2.557 1.00 0.00 O ATOM 603 CB LEU A 45 5.060 7.591 1.022 1.00 0.00 C ATOM 604 CG LEU A 45 4.135 6.386 0.854 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.703 6.761 1.202 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.217 5.844 -0.565 1.00 0.00 C ATOM 0 H LEU A 45 7.521 8.524 1.909 1.00 0.00 H new ATOM 0 HA LEU A 45 4.816 8.197 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.518 8.485 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.900 7.477 0.337 1.00 0.00 H new ATOM 0 HG LEU A 45 4.461 5.603 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.058 5.891 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.657 7.101 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.366 7.560 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.552 4.986 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.917 6.620 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.241 5.536 -0.778 1.00 0.00 H new ATOM 618 N GLU A 46 5.416 5.997 4.015 1.00 0.00 N ATOM 619 CA GLU A 46 5.795 4.744 4.656 1.00 0.00 C ATOM 620 C GLU A 46 4.786 3.644 4.341 1.00 0.00 C ATOM 621 O GLU A 46 3.597 3.909 4.165 1.00 0.00 O ATOM 622 CB GLU A 46 5.905 4.933 6.171 1.00 0.00 C ATOM 623 CG GLU A 46 6.639 3.803 6.874 1.00 0.00 C ATOM 624 CD GLU A 46 8.146 3.940 6.780 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.633 4.453 5.752 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.838 3.535 7.737 1.00 0.00 O ATOM 0 H GLU A 46 4.579 6.433 4.402 1.00 0.00 H new ATOM 0 HA GLU A 46 6.767 4.444 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.420 5.872 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.903 5.021 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.345 3.781 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.336 2.851 6.438 1.00 0.00 H new ATOM 633 N VAL A 47 5.269 2.408 4.273 1.00 0.00 N ATOM 634 CA VAL A 47 4.410 1.266 3.980 1.00 0.00 C ATOM 635 C VAL A 47 4.780 0.064 4.842 1.00 0.00 C ATOM 636 O VAL A 47 5.922 -0.067 5.283 1.00 0.00 O ATOM 637 CB VAL A 47 4.495 0.866 2.496 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.491 -0.232 2.180 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.270 2.077 1.604 1.00 0.00 C ATOM 0 H VAL A 47 6.251 2.171 4.417 1.00 0.00 H new ATOM 0 HA VAL A 47 3.389 1.572 4.208 1.00 0.00 H new ATOM 0 HB VAL A 47 5.495 0.479 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.566 -0.501 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.703 -1.107 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.483 0.124 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.334 1.776 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.283 2.496 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.032 2.829 1.812 1.00 0.00 H new ATOM 649 N ARG A 48 3.808 -0.811 5.077 1.00 0.00 N ATOM 650 CA ARG A 48 4.032 -2.002 5.886 1.00 0.00 C ATOM 651 C ARG A 48 3.003 -3.082 5.561 1.00 0.00 C ATOM 652 O ARG A 48 1.817 -2.793 5.396 1.00 0.00 O ATOM 653 CB ARG A 48 3.969 -1.654 7.374 1.00 0.00 C ATOM 654 CG ARG A 48 5.311 -1.248 7.962 1.00 0.00 C ATOM 655 CD ARG A 48 5.276 -1.246 9.482 1.00 0.00 C ATOM 656 NE ARG A 48 5.544 -2.571 10.037 1.00 0.00 N ATOM 657 CZ ARG A 48 6.765 -3.073 10.185 1.00 0.00 C ATOM 658 NH1 ARG A 48 7.825 -2.363 9.823 1.00 0.00 N ATOM 659 NH2 ARG A 48 6.926 -4.285 10.698 1.00 0.00 N ATOM 0 H ARG A 48 2.858 -0.717 4.718 1.00 0.00 H new ATOM 0 HA ARG A 48 5.024 -2.387 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.258 -0.841 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.586 -2.514 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.084 -1.934 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.582 -0.255 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.013 -0.538 9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.299 -0.901 9.822 1.00 0.00 H new ATOM 0 HE ARG A 48 4.750 -3.142 10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.704 -1.430 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.762 -2.750 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.112 -4.832 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.864 -4.670 10.812 1.00 0.00 H new ATOM 673 N VAL A 49 3.465 -4.325 5.472 1.00 0.00 N ATOM 674 CA VAL A 49 2.584 -5.447 5.168 1.00 0.00 C ATOM 675 C VAL A 49 2.561 -6.453 6.314 1.00 0.00 C ATOM 676 O VAL A 49 3.580 -7.063 6.640 1.00 0.00 O ATOM 677 CB VAL A 49 3.018 -6.166 3.876 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.202 -7.433 3.673 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.882 -5.237 2.680 1.00 0.00 C ATOM 0 H VAL A 49 4.443 -4.581 5.606 1.00 0.00 H new ATOM 0 HA VAL A 49 1.584 -5.037 5.028 1.00 0.00 H new ATOM 0 HB VAL A 49 4.067 -6.448 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.521 -7.928 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.354 -8.103 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.145 -7.177 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.193 -5.760 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.843 -4.923 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.513 -4.360 2.827 1.00 0.00 H new ATOM 689 N LEU A 50 1.392 -6.622 6.921 1.00 0.00 N ATOM 690 CA LEU A 50 1.235 -7.556 8.030 1.00 0.00 C ATOM 691 C LEU A 50 0.377 -8.749 7.621 1.00 0.00 C ATOM 692 O LEU A 50 -0.761 -8.587 7.183 1.00 0.00 O ATOM 693 CB LEU A 50 0.605 -6.849 9.232 1.00 0.00 C ATOM 694 CG LEU A 50 1.579 -6.194 10.212 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.442 -7.247 10.890 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.448 -5.170 9.496 1.00 0.00 C ATOM 0 H LEU A 50 0.539 -6.125 6.664 1.00 0.00 H new ATOM 0 HA LEU A 50 2.224 -7.922 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.076 -6.083 8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.002 -7.574 9.780 1.00 0.00 H new ATOM 0 HG LEU A 50 1.001 -5.678 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.129 -6.763 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.805 -7.943 11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.011 -7.791 10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.135 -4.714 10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.017 -5.663 8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.815 -4.398 9.058 1.00 0.00 H new ATOM 708 N GLY A 51 0.931 -9.949 7.769 1.00 0.00 N ATOM 709 CA GLY A 51 0.202 -11.152 7.413 1.00 0.00 C ATOM 710 C GLY A 51 -1.091 -11.299 8.192 1.00 0.00 C ATOM 711 O GLY A 51 -1.426 -10.474 9.042 1.00 0.00 O ATOM 0 H GLY A 51 1.872 -10.109 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.020 -11.136 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.833 -12.022 7.594 1.00 0.00 H new ATOM 715 N PRO A 52 -1.842 -12.372 7.901 1.00 0.00 N ATOM 716 CA PRO A 52 -3.117 -12.649 8.569 1.00 0.00 C ATOM 717 C PRO A 52 -2.932 -13.052 10.029 1.00 0.00 C ATOM 718 O PRO A 52 -3.710 -12.653 10.895 1.00 0.00 O ATOM 719 CB PRO A 52 -3.694 -13.814 7.762 1.00 0.00 C ATOM 720 CG PRO A 52 -2.505 -14.487 7.165 1.00 0.00 C ATOM 721 CD PRO A 52 -1.504 -13.396 6.899 1.00 0.00 C ATOM 0 HA PRO A 52 -3.762 -11.771 8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.257 -14.496 8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.378 -13.461 6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.097 -15.234 7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.771 -15.006 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.481 -13.752 7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.591 -13.009 5.884 1.00 0.00 H new ATOM 729 N ARG A 53 -1.896 -13.842 10.293 1.00 0.00 N ATOM 730 CA ARG A 53 -1.610 -14.299 11.647 1.00 0.00 C ATOM 731 C ARG A 53 -0.739 -13.288 12.389 1.00 0.00 C ATOM 732 O ARG A 53 -0.803 -13.177 13.612 1.00 0.00 O ATOM 733 CB ARG A 53 -0.914 -15.660 11.614 1.00 0.00 C ATOM 734 CG ARG A 53 -1.247 -16.483 10.380 1.00 0.00 C ATOM 735 CD ARG A 53 -0.202 -16.303 9.290 1.00 0.00 C ATOM 736 NE ARG A 53 0.932 -17.207 9.464 1.00 0.00 N ATOM 737 CZ ARG A 53 2.141 -16.972 8.967 1.00 0.00 C ATOM 738 NH1 ARG A 53 2.372 -15.869 8.271 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.122 -17.844 9.168 1.00 0.00 N ATOM 0 H ARG A 53 -1.241 -14.178 9.587 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.557 -14.397 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.164 -15.509 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.195 -16.224 12.503 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.313 -17.537 10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.225 -16.190 9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.660 -16.479 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.152 -15.272 9.294 1.00 0.00 H new ATOM 0 HE ARG A 53 0.788 -18.065 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.620 -15.197 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.302 -15.691 7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.947 -18.694 9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.051 -17.664 8.786 1.00 0.00 H new ATOM 753 N GLY A 54 0.075 -12.552 11.638 1.00 0.00 N ATOM 754 CA GLY A 54 0.948 -11.563 12.241 1.00 0.00 C ATOM 755 C GLY A 54 2.351 -11.601 11.669 1.00 0.00 C ATOM 756 O GLY A 54 3.327 -11.359 12.381 1.00 0.00 O ATOM 0 H GLY A 54 0.145 -12.623 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.525 -10.570 12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.993 -11.731 13.317 1.00 0.00 H new ATOM 760 N LEU A 55 2.455 -11.906 10.380 1.00 0.00 N ATOM 761 CA LEU A 55 3.750 -11.977 9.712 1.00 0.00 C ATOM 762 C LEU A 55 4.214 -10.591 9.276 1.00 0.00 C ATOM 763 O LEU A 55 3.404 -9.682 9.093 1.00 0.00 O ATOM 764 CB LEU A 55 3.670 -12.906 8.500 1.00 0.00 C ATOM 765 CG LEU A 55 4.842 -12.833 7.521 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.079 -13.487 8.120 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.476 -13.493 6.199 1.00 0.00 C ATOM 0 H LEU A 55 1.658 -12.108 9.777 1.00 0.00 H new ATOM 0 HA LEU A 55 4.476 -12.376 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.585 -13.932 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.753 -12.682 7.955 1.00 0.00 H new ATOM 0 HG LEU A 55 5.066 -11.783 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.903 -13.426 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.354 -12.971 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.867 -14.533 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.322 -13.431 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.225 -14.539 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.618 -12.981 5.762 1.00 0.00 H new ATOM 779 N VAL A 56 5.524 -10.437 9.111 1.00 0.00 N ATOM 780 CA VAL A 56 6.097 -9.163 8.693 1.00 0.00 C ATOM 781 C VAL A 56 6.844 -9.303 7.371 1.00 0.00 C ATOM 782 O VAL A 56 7.887 -9.952 7.302 1.00 0.00 O ATOM 783 CB VAL A 56 7.061 -8.605 9.758 1.00 0.00 C ATOM 784 CG1 VAL A 56 8.238 -9.547 9.958 1.00 0.00 C ATOM 785 CG2 VAL A 56 7.539 -7.216 9.365 1.00 0.00 C ATOM 0 H VAL A 56 6.208 -11.179 9.260 1.00 0.00 H new ATOM 0 HA VAL A 56 5.266 -8.469 8.566 1.00 0.00 H new ATOM 0 HB VAL A 56 6.526 -8.526 10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.908 -9.137 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.873 -10.520 10.286 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.777 -9.660 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.219 -6.836 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.059 -7.267 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.682 -6.548 9.277 1.00 0.00 H new ATOM 795 N GLU A 57 6.301 -8.689 6.324 1.00 0.00 N ATOM 796 CA GLU A 57 6.917 -8.746 5.003 1.00 0.00 C ATOM 797 C GLU A 57 7.431 -7.372 4.583 1.00 0.00 C ATOM 798 O GLU A 57 6.826 -6.340 4.871 1.00 0.00 O ATOM 799 CB GLU A 57 5.914 -9.266 3.971 1.00 0.00 C ATOM 800 CG GLU A 57 5.313 -10.613 4.332 1.00 0.00 C ATOM 801 CD GLU A 57 6.286 -11.758 4.136 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.494 -11.560 4.391 1.00 0.00 O ATOM 803 OE2 GLU A 57 5.844 -12.853 3.731 1.00 0.00 O ATOM 0 H GLU A 57 5.438 -8.147 6.365 1.00 0.00 H new ATOM 0 HA GLU A 57 7.763 -9.431 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.111 -8.538 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.410 -9.346 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.986 -10.594 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.427 -10.786 3.722 1.00 0.00 H new ATOM 810 N PRO A 58 8.577 -7.358 3.885 1.00 0.00 N ATOM 811 CA PRO A 58 9.199 -6.119 3.410 1.00 0.00 C ATOM 812 C PRO A 58 8.397 -5.459 2.293 1.00 0.00 C ATOM 813 O PRO A 58 7.464 -6.051 1.752 1.00 0.00 O ATOM 814 CB PRO A 58 10.561 -6.583 2.888 1.00 0.00 C ATOM 815 CG PRO A 58 10.361 -8.014 2.528 1.00 0.00 C ATOM 816 CD PRO A 58 9.354 -8.551 3.507 1.00 0.00 C ATOM 0 HA PRO A 58 9.262 -5.367 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.874 -5.997 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.335 -6.470 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.000 -8.112 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.298 -8.567 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.722 -9.316 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.837 -9.007 4.371 1.00 0.00 H new ATOM 824 N VAL A 59 8.766 -4.228 1.954 1.00 0.00 N ATOM 825 CA VAL A 59 8.083 -3.488 0.901 1.00 0.00 C ATOM 826 C VAL A 59 9.066 -2.657 0.085 1.00 0.00 C ATOM 827 O VAL A 59 10.151 -2.320 0.557 1.00 0.00 O ATOM 828 CB VAL A 59 7.000 -2.558 1.480 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.843 -3.370 2.041 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.592 -1.651 2.549 1.00 0.00 C ATOM 0 H VAL A 59 9.535 -3.722 2.394 1.00 0.00 H new ATOM 0 HA VAL A 59 7.610 -4.226 0.253 1.00 0.00 H new ATOM 0 HB VAL A 59 6.617 -1.931 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.088 -2.696 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.403 -3.973 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.208 -4.024 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.813 -1.001 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.004 -2.259 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.384 -1.043 2.112 1.00 0.00 H new ATOM 840 N ASN A 60 8.679 -2.328 -1.143 1.00 0.00 N ATOM 841 CA ASN A 60 9.527 -1.537 -2.027 1.00 0.00 C ATOM 842 C ASN A 60 8.953 -0.136 -2.221 1.00 0.00 C ATOM 843 O ASN A 60 7.737 0.045 -2.287 1.00 0.00 O ATOM 844 CB ASN A 60 9.677 -2.230 -3.382 1.00 0.00 C ATOM 845 CG ASN A 60 10.712 -1.559 -4.264 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.908 -1.593 -3.973 1.00 0.00 O ATOM 847 ND2 ASN A 60 10.256 -0.944 -5.348 1.00 0.00 N ATOM 0 H ASN A 60 7.783 -2.597 -1.549 1.00 0.00 H new ATOM 0 HA ASN A 60 10.509 -1.448 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.958 -3.271 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.715 -2.233 -3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.905 -0.474 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.256 -0.941 -5.550 1.00 0.00 H new ATOM 854 N VAL A 61 9.837 0.852 -2.311 1.00 0.00 N ATOM 855 CA VAL A 61 9.419 2.237 -2.500 1.00 0.00 C ATOM 856 C VAL A 61 10.231 2.911 -3.600 1.00 0.00 C ATOM 857 O VAL A 61 11.456 3.001 -3.516 1.00 0.00 O ATOM 858 CB VAL A 61 9.564 3.049 -1.198 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.915 2.783 -0.551 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.378 4.533 -1.474 1.00 0.00 C ATOM 0 H VAL A 61 10.847 0.720 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 61 8.369 2.214 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 61 8.787 2.732 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.000 3.365 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.004 1.722 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.711 3.071 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.483 5.092 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.132 4.868 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.385 4.704 -1.890 1.00 0.00 H new ATOM 870 N VAL A 62 9.540 3.385 -4.632 1.00 0.00 N ATOM 871 CA VAL A 62 10.196 4.053 -5.749 1.00 0.00 C ATOM 872 C VAL A 62 9.438 5.312 -6.159 1.00 0.00 C ATOM 873 O VAL A 62 8.218 5.288 -6.321 1.00 0.00 O ATOM 874 CB VAL A 62 10.317 3.121 -6.969 1.00 0.00 C ATOM 875 CG1 VAL A 62 10.967 3.848 -8.136 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.103 1.869 -6.606 1.00 0.00 C ATOM 0 H VAL A 62 8.526 3.319 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 62 11.195 4.327 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 62 9.315 2.819 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.044 3.173 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.360 4.711 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.964 4.182 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.179 1.221 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.103 2.150 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.591 1.338 -5.804 1.00 0.00 H new ATOM 886 N ASP A 63 10.170 6.408 -6.322 1.00 0.00 N ATOM 887 CA ASP A 63 9.568 7.677 -6.715 1.00 0.00 C ATOM 888 C ASP A 63 9.470 7.786 -8.233 1.00 0.00 C ATOM 889 O ASP A 63 10.453 7.578 -8.945 1.00 0.00 O ATOM 890 CB ASP A 63 10.381 8.847 -6.158 1.00 0.00 C ATOM 891 CG ASP A 63 9.699 10.182 -6.374 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.493 10.289 -6.066 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.370 11.121 -6.850 1.00 0.00 O ATOM 0 H ASP A 63 11.181 6.444 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 63 8.561 7.716 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.546 8.695 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.362 8.863 -6.633 1.00 0.00 H new ATOM 898 N ASN A 64 8.278 8.111 -8.723 1.00 0.00 N ATOM 899 CA ASN A 64 8.051 8.246 -10.158 1.00 0.00 C ATOM 900 C ASN A 64 8.730 9.500 -10.700 1.00 0.00 C ATOM 901 O ASN A 64 9.336 9.478 -11.770 1.00 0.00 O ATOM 902 CB ASN A 64 6.551 8.294 -10.456 1.00 0.00 C ATOM 903 CG ASN A 64 5.881 6.947 -10.269 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.477 6.302 -11.236 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.760 6.515 -9.018 1.00 0.00 N ATOM 0 H ASN A 64 7.454 8.286 -8.148 1.00 0.00 H new ATOM 0 HA ASN A 64 8.485 7.377 -10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.077 9.026 -9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.398 8.634 -11.480 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.318 5.615 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.110 7.083 -8.246 1.00 0.00 H new ATOM 912 N GLY A 65 8.625 10.594 -9.952 1.00 0.00 N ATOM 913 CA GLY A 65 9.233 11.842 -10.373 1.00 0.00 C ATOM 914 C GLY A 65 8.206 12.882 -10.774 1.00 0.00 C ATOM 915 O GLY A 65 8.495 14.078 -10.787 1.00 0.00 O ATOM 0 H GLY A 65 8.129 10.638 -9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.846 12.235 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.900 11.652 -11.214 1.00 0.00 H new ATOM 919 N ASP A 66 7.002 12.425 -11.104 1.00 0.00 N ATOM 920 CA ASP A 66 5.928 13.324 -11.508 1.00 0.00 C ATOM 921 C ASP A 66 5.069 13.718 -10.309 1.00 0.00 C ATOM 922 O ASP A 66 4.694 14.880 -10.157 1.00 0.00 O ATOM 923 CB ASP A 66 5.059 12.666 -12.580 1.00 0.00 C ATOM 924 CG ASP A 66 4.412 13.678 -13.504 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.152 14.447 -14.153 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.165 13.701 -13.578 1.00 0.00 O ATOM 0 H ASP A 66 6.746 11.438 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 66 6.379 14.226 -11.921 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.669 11.980 -13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.283 12.070 -12.099 1.00 0.00 H new ATOM 931 N GLY A 67 4.761 12.740 -9.463 1.00 0.00 N ATOM 932 CA GLY A 67 3.947 13.004 -8.290 1.00 0.00 C ATOM 933 C GLY A 67 3.319 11.746 -7.725 1.00 0.00 C ATOM 934 O GLY A 67 2.188 11.771 -7.238 1.00 0.00 O ATOM 0 H GLY A 67 5.060 11.771 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.562 13.475 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.161 13.714 -8.549 1.00 0.00 H new ATOM 938 N THR A 68 4.054 10.640 -7.788 1.00 0.00 N ATOM 939 CA THR A 68 3.562 9.365 -7.281 1.00 0.00 C ATOM 940 C THR A 68 4.713 8.462 -6.855 1.00 0.00 C ATOM 941 O THR A 68 5.883 8.809 -7.021 1.00 0.00 O ATOM 942 CB THR A 68 2.712 8.632 -8.336 1.00 0.00 C ATOM 943 OG1 THR A 68 3.515 8.315 -9.479 1.00 0.00 O ATOM 944 CG2 THR A 68 1.527 9.483 -8.763 1.00 0.00 C ATOM 0 H THR A 68 4.993 10.602 -8.185 1.00 0.00 H new ATOM 0 HA THR A 68 2.939 9.588 -6.415 1.00 0.00 H new ATOM 0 HB THR A 68 2.336 7.711 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.967 7.848 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.942 8.944 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.902 9.697 -7.896 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.887 10.419 -9.191 1.00 0.00 H new ATOM 952 N HIS A 69 4.375 7.299 -6.306 1.00 0.00 N ATOM 953 CA HIS A 69 5.382 6.344 -5.857 1.00 0.00 C ATOM 954 C HIS A 69 4.922 4.911 -6.109 1.00 0.00 C ATOM 955 O HIS A 69 3.782 4.552 -5.813 1.00 0.00 O ATOM 956 CB HIS A 69 5.677 6.543 -4.370 1.00 0.00 C ATOM 957 CG HIS A 69 6.036 7.953 -4.015 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.317 8.343 -3.683 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.275 9.069 -3.941 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.327 9.637 -3.419 1.00 0.00 C ATOM 961 NE2 HIS A 69 6.099 10.102 -3.569 1.00 0.00 N ATOM 0 H HIS A 69 3.412 6.996 -6.162 1.00 0.00 H new ATOM 0 HA HIS A 69 6.294 6.520 -6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.804 6.242 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.495 5.884 -4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.215 9.135 -4.138 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.191 10.216 -3.130 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.811 11.071 -3.431 1.00 0.00 H new ATOM 970 N THR A 70 5.818 4.095 -6.658 1.00 0.00 N ATOM 971 CA THR A 70 5.503 2.704 -6.952 1.00 0.00 C ATOM 972 C THR A 70 5.978 1.784 -5.832 1.00 0.00 C ATOM 973 O THR A 70 7.111 1.894 -5.363 1.00 0.00 O ATOM 974 CB THR A 70 6.144 2.251 -8.277 1.00 0.00 C ATOM 975 OG1 THR A 70 5.525 2.927 -9.377 1.00 0.00 O ATOM 976 CG2 THR A 70 6.007 0.746 -8.459 1.00 0.00 C ATOM 0 H THR A 70 6.767 4.375 -6.907 1.00 0.00 H new ATOM 0 HA THR A 70 4.419 2.637 -7.039 1.00 0.00 H new ATOM 0 HB THR A 70 7.204 2.502 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.939 2.635 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.467 0.450 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.504 0.233 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.951 0.475 -8.470 1.00 0.00 H new ATOM 984 N VAL A 71 5.105 0.878 -5.406 1.00 0.00 N ATOM 985 CA VAL A 71 5.435 -0.061 -4.341 1.00 0.00 C ATOM 986 C VAL A 71 5.183 -1.500 -4.779 1.00 0.00 C ATOM 987 O VAL A 71 4.036 -1.929 -4.912 1.00 0.00 O ATOM 988 CB VAL A 71 4.620 0.226 -3.066 1.00 0.00 C ATOM 989 CG1 VAL A 71 5.003 -0.744 -1.959 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.820 1.666 -2.619 1.00 0.00 C ATOM 0 H VAL A 71 4.163 0.774 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 71 6.495 0.069 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 71 3.563 0.084 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.417 -0.526 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.803 -1.765 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.064 -0.637 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.237 1.851 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.876 1.839 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.491 2.341 -3.409 1.00 0.00 H new ATOM 1000 N THR A 72 6.262 -2.243 -5.004 1.00 0.00 N ATOM 1001 CA THR A 72 6.159 -3.633 -5.429 1.00 0.00 C ATOM 1002 C THR A 72 6.322 -4.582 -4.247 1.00 0.00 C ATOM 1003 O THR A 72 7.127 -4.337 -3.348 1.00 0.00 O ATOM 1004 CB THR A 72 7.215 -3.974 -6.496 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.525 -3.672 -6.003 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.959 -3.198 -7.779 1.00 0.00 C ATOM 0 H THR A 72 7.218 -1.904 -4.899 1.00 0.00 H new ATOM 0 HA THR A 72 5.165 -3.759 -5.859 1.00 0.00 H new ATOM 0 HB THR A 72 7.146 -5.040 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.191 -3.893 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.718 -3.456 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.973 -3.453 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.002 -2.129 -7.572 1.00 0.00 H new ATOM 1014 N TYR A 73 5.554 -5.666 -4.255 1.00 0.00 N ATOM 1015 CA TYR A 73 5.612 -6.651 -3.182 1.00 0.00 C ATOM 1016 C TYR A 73 5.044 -7.991 -3.641 1.00 0.00 C ATOM 1017 O TYR A 73 4.437 -8.089 -4.708 1.00 0.00 O ATOM 1018 CB TYR A 73 4.843 -6.150 -1.959 1.00 0.00 C ATOM 1019 CG TYR A 73 3.355 -6.408 -2.032 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.811 -7.596 -1.557 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.492 -5.464 -2.574 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.453 -7.836 -1.623 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.131 -5.695 -2.643 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.617 -6.883 -2.166 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.737 -7.118 -2.232 1.00 0.00 O ATOM 0 H TYR A 73 4.884 -5.885 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 73 6.658 -6.794 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.243 -6.631 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.013 -5.079 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.462 -8.344 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.892 -4.533 -2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.047 -8.765 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.474 -4.950 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.181 -6.354 -2.655 1.00 0.00 H new ATOM 1035 N THR A 74 5.245 -9.022 -2.826 1.00 0.00 N ATOM 1036 CA THR A 74 4.754 -10.356 -3.147 1.00 0.00 C ATOM 1037 C THR A 74 4.317 -11.098 -1.889 1.00 0.00 C ATOM 1038 O THR A 74 5.125 -11.428 -1.020 1.00 0.00 O ATOM 1039 CB THR A 74 5.827 -11.189 -3.873 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.261 -10.505 -5.054 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.284 -12.561 -4.248 1.00 0.00 C ATOM 0 H THR A 74 5.744 -8.958 -1.939 1.00 0.00 H new ATOM 0 HA THR A 74 3.896 -10.227 -3.807 1.00 0.00 H new ATOM 0 HB THR A 74 6.672 -11.321 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.944 -11.040 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.059 -13.132 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.979 -13.091 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.424 -12.444 -4.908 1.00 0.00 H new ATOM 1049 N PRO A 75 3.007 -11.368 -1.786 1.00 0.00 N ATOM 1050 CA PRO A 75 2.433 -12.076 -0.638 1.00 0.00 C ATOM 1051 C PRO A 75 2.839 -13.545 -0.600 1.00 0.00 C ATOM 1052 O PRO A 75 2.234 -14.384 -1.267 1.00 0.00 O ATOM 1053 CB PRO A 75 0.924 -11.944 -0.858 1.00 0.00 C ATOM 1054 CG PRO A 75 0.770 -11.765 -2.329 1.00 0.00 C ATOM 1055 CD PRO A 75 1.986 -11.004 -2.782 1.00 0.00 C ATOM 0 HA PRO A 75 2.778 -11.662 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.394 -12.830 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.517 -11.094 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.701 -12.728 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.143 -11.217 -2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.287 -11.291 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.805 -9.929 -2.797 1.00 0.00 H new ATOM 1063 N SER A 76 3.867 -13.850 0.186 1.00 0.00 N ATOM 1064 CA SER A 76 4.357 -15.218 0.308 1.00 0.00 C ATOM 1065 C SER A 76 3.205 -16.216 0.234 1.00 0.00 C ATOM 1066 O SER A 76 3.270 -17.201 -0.500 1.00 0.00 O ATOM 1067 CB SER A 76 5.115 -15.395 1.625 1.00 0.00 C ATOM 1068 OG SER A 76 4.309 -15.028 2.731 1.00 0.00 O ATOM 0 H SER A 76 4.377 -13.168 0.748 1.00 0.00 H new ATOM 0 HA SER A 76 5.036 -15.410 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.431 -16.433 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.019 -14.787 1.612 1.00 0.00 H new ATOM 0 HG SER A 76 4.717 -14.268 3.195 1.00 0.00 H new ATOM 1074 N GLN A 77 2.151 -15.951 1.000 1.00 0.00 N ATOM 1075 CA GLN A 77 0.984 -16.826 1.022 1.00 0.00 C ATOM 1076 C GLN A 77 -0.303 -16.020 0.879 1.00 0.00 C ATOM 1077 O GLN A 77 -0.267 -14.806 0.683 1.00 0.00 O ATOM 1078 CB GLN A 77 0.952 -17.636 2.319 1.00 0.00 C ATOM 1079 CG GLN A 77 1.065 -16.781 3.572 1.00 0.00 C ATOM 1080 CD GLN A 77 1.639 -17.545 4.750 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.267 -18.591 4.579 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.426 -17.026 5.953 1.00 0.00 N ATOM 0 H GLN A 77 2.081 -15.139 1.613 1.00 0.00 H new ATOM 0 HA GLN A 77 1.058 -17.510 0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.023 -18.205 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.768 -18.358 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.696 -15.917 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.079 -16.399 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.900 -16.157 6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.788 -17.496 6.783 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.438 -16.705 0.978 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.736 -16.052 0.858 1.00 0.00 C ATOM 1093 C GLU A 78 -3.364 -15.834 2.232 1.00 0.00 C ATOM 1094 O GLU A 78 -2.875 -16.345 3.238 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.673 -16.888 -0.017 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.087 -18.203 0.619 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.206 -18.038 1.629 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.243 -17.439 1.273 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.046 -18.508 2.774 1.00 0.00 O ATOM 0 H GLU A 78 -1.485 -17.711 1.141 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.584 -15.080 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.566 -16.304 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.182 -17.093 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.406 -18.894 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.224 -18.652 1.110 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.452 -15.070 2.264 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.129 -14.796 3.518 1.00 0.00 C ATOM 1108 C GLY A 79 -5.404 -13.319 3.719 1.00 0.00 C ATOM 1109 O GLY A 79 -5.017 -12.479 2.907 1.00 0.00 O ATOM 0 H GLY A 79 -4.876 -14.636 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.070 -15.345 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.520 -15.165 4.344 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.087 -12.985 4.824 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.429 -11.599 5.154 1.00 0.00 C ATOM 1115 C PRO A 80 -5.205 -10.777 5.544 1.00 0.00 C ATOM 1116 O PRO A 80 -4.858 -10.685 6.722 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.380 -11.742 6.345 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.015 -13.046 6.967 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.579 -13.936 5.836 1.00 0.00 C ATOM 0 HA PRO A 80 -6.865 -11.073 4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.258 -10.919 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.421 -11.735 6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.214 -12.920 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.864 -13.477 7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.799 -14.630 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.405 -14.536 5.455 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.555 -10.183 4.550 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.369 -9.370 4.790 1.00 0.00 C ATOM 1129 C TYR A 81 -3.753 -7.938 5.148 1.00 0.00 C ATOM 1130 O TYR A 81 -4.924 -7.566 5.095 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.464 -9.374 3.556 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.440 -10.485 3.561 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.828 -11.816 3.656 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.081 -10.205 3.470 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.895 -12.835 3.661 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.859 -11.217 3.472 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.447 -12.530 3.569 1.00 0.00 C ATOM 1138 OH TYR A 81 1.380 -13.541 3.573 1.00 0.00 O ATOM 0 H TYR A 81 -4.829 -10.249 3.570 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.827 -9.803 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.082 -9.465 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.948 -8.416 3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.878 -12.058 3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.245 -9.178 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.214 -13.864 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.910 -10.982 3.398 1.00 0.00 H new ATOM 0 HH TYR A 81 2.279 -13.157 3.500 1.00 0.00 H new ATOM 1148 N MET A 82 -2.756 -7.140 5.515 1.00 0.00 N ATOM 1149 CA MET A 82 -2.987 -5.747 5.880 1.00 0.00 C ATOM 1150 C MET A 82 -1.805 -4.874 5.472 1.00 0.00 C ATOM 1151 O MET A 82 -0.688 -5.057 5.958 1.00 0.00 O ATOM 1152 CB MET A 82 -3.230 -5.626 7.386 1.00 0.00 C ATOM 1153 CG MET A 82 -3.634 -4.229 7.827 1.00 0.00 C ATOM 1154 SD MET A 82 -4.511 -4.225 9.403 1.00 0.00 S ATOM 1155 CE MET A 82 -3.149 -4.026 10.548 1.00 0.00 C ATOM 0 H MET A 82 -1.781 -7.434 5.568 1.00 0.00 H new ATOM 0 HA MET A 82 -3.872 -5.400 5.347 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.010 -6.330 7.677 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.323 -5.917 7.916 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.743 -3.606 7.910 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.267 -3.780 7.062 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.532 -4.005 11.568 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.456 -4.860 10.437 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.629 -3.092 10.336 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.058 -3.923 4.577 1.00 0.00 N ATOM 1166 CA VAL A 83 -1.014 -3.021 4.105 1.00 0.00 C ATOM 1167 C VAL A 83 -1.200 -1.620 4.676 1.00 0.00 C ATOM 1168 O VAL A 83 -2.019 -0.842 4.186 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.998 -2.939 2.568 1.00 0.00 C ATOM 1170 CG1 VAL A 83 -0.056 -1.839 2.102 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.602 -4.281 1.967 1.00 0.00 C ATOM 0 H VAL A 83 -2.976 -3.758 4.165 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.063 -3.427 4.450 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.003 -2.694 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.058 -1.796 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.388 -0.882 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.953 -2.050 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.596 -4.205 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.393 -4.557 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.319 -5.043 2.273 1.00 0.00 H new ATOM 1181 N SER A 84 -0.433 -1.303 5.714 1.00 0.00 N ATOM 1182 CA SER A 84 -0.515 0.005 6.355 1.00 0.00 C ATOM 1183 C SER A 84 0.349 1.024 5.619 1.00 0.00 C ATOM 1184 O SER A 84 1.385 0.682 5.049 1.00 0.00 O ATOM 1185 CB SER A 84 -0.078 -0.091 7.817 1.00 0.00 C ATOM 1186 OG SER A 84 -0.431 1.080 8.533 1.00 0.00 O ATOM 0 H SER A 84 0.252 -1.934 6.129 1.00 0.00 H new ATOM 0 HA SER A 84 -1.552 0.338 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.543 -0.960 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.000 -0.241 7.868 1.00 0.00 H new ATOM 0 HG SER A 84 -1.118 1.572 8.037 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.084 2.281 5.637 1.00 0.00 N ATOM 1193 CA VAL A 85 0.650 3.352 4.973 1.00 0.00 C ATOM 1194 C VAL A 85 0.591 4.642 5.784 1.00 0.00 C ATOM 1195 O VAL A 85 -0.451 4.997 6.333 1.00 0.00 O ATOM 1196 CB VAL A 85 0.096 3.622 3.562 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.820 4.794 2.918 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.210 2.374 2.699 1.00 0.00 C ATOM 0 H VAL A 85 -0.939 2.582 6.104 1.00 0.00 H new ATOM 0 HA VAL A 85 1.686 3.022 4.892 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.959 3.882 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.414 4.969 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.682 5.687 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.883 4.567 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.186 2.582 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.257 2.081 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.359 1.564 3.154 1.00 0.00 H new ATOM 1208 N LYS A 86 1.719 5.341 5.855 1.00 0.00 N ATOM 1209 CA LYS A 86 1.799 6.593 6.598 1.00 0.00 C ATOM 1210 C LYS A 86 2.347 7.712 5.719 1.00 0.00 C ATOM 1211 O LYS A 86 2.838 7.466 4.617 1.00 0.00 O ATOM 1212 CB LYS A 86 2.683 6.422 7.835 1.00 0.00 C ATOM 1213 CG LYS A 86 2.271 7.300 9.003 1.00 0.00 C ATOM 1214 CD LYS A 86 2.877 6.813 10.309 1.00 0.00 C ATOM 1215 CE LYS A 86 2.252 7.508 11.508 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.208 7.621 12.644 1.00 0.00 N ATOM 0 H LYS A 86 2.591 5.061 5.406 1.00 0.00 H new ATOM 0 HA LYS A 86 0.792 6.863 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.656 5.378 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.715 6.648 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.585 8.327 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.184 7.309 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.736 5.736 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.952 6.994 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.915 8.503 11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.370 6.954 11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.689 7.555 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.904 6.851 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.700 8.536 12.594 1.00 0.00 H new ATOM 1230 N TYR A 87 2.260 8.943 6.213 1.00 0.00 N ATOM 1231 CA TYR A 87 2.747 10.100 5.472 1.00 0.00 C ATOM 1232 C TYR A 87 3.072 11.254 6.416 1.00 0.00 C ATOM 1233 O TYR A 87 2.175 11.923 6.928 1.00 0.00 O ATOM 1234 CB TYR A 87 1.708 10.547 4.442 1.00 0.00 C ATOM 1235 CG TYR A 87 2.297 11.324 3.286 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.941 10.671 2.243 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.209 12.709 3.239 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.482 11.377 1.184 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.744 13.423 2.184 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.380 12.752 1.159 1.00 0.00 C ATOM 1241 OH TYR A 87 3.916 13.460 0.108 1.00 0.00 O ATOM 0 H TYR A 87 1.857 9.164 7.123 1.00 0.00 H new ATOM 0 HA TYR A 87 3.661 9.809 4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.193 9.669 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.958 11.163 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.021 9.594 2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.714 13.237 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.981 10.855 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.665 14.500 2.161 1.00 0.00 H new ATOM 0 HH TYR A 87 4.892 13.485 0.194 1.00 0.00 H new ATOM 1251 N ALA A 88 4.362 11.481 6.640 1.00 0.00 N ATOM 1252 CA ALA A 88 4.807 12.556 7.519 1.00 0.00 C ATOM 1253 C ALA A 88 4.408 12.282 8.965 1.00 0.00 C ATOM 1254 O ALA A 88 3.966 13.183 9.678 1.00 0.00 O ATOM 1255 CB ALA A 88 4.238 13.888 7.055 1.00 0.00 C ATOM 0 H ALA A 88 5.117 10.935 6.225 1.00 0.00 H new ATOM 0 HA ALA A 88 5.895 12.604 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.579 14.681 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.578 14.095 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.149 13.844 7.071 1.00 0.00 H new ATOM 1261 N ASP A 89 4.566 11.034 9.392 1.00 0.00 N ATOM 1262 CA ASP A 89 4.221 10.642 10.753 1.00 0.00 C ATOM 1263 C ASP A 89 2.724 10.800 11.002 1.00 0.00 C ATOM 1264 O ASP A 89 2.301 11.116 12.115 1.00 0.00 O ATOM 1265 CB ASP A 89 5.010 11.478 11.763 1.00 0.00 C ATOM 1266 CG ASP A 89 6.338 10.845 12.128 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.329 9.708 12.644 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.385 11.486 11.899 1.00 0.00 O ATOM 0 H ASP A 89 4.931 10.276 8.815 1.00 0.00 H new ATOM 0 HA ASP A 89 4.483 9.591 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.186 12.471 11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.413 11.610 12.666 1.00 0.00 H new ATOM 1273 N GLU A 90 1.929 10.580 9.961 1.00 0.00 N ATOM 1274 CA GLU A 90 0.480 10.699 10.067 1.00 0.00 C ATOM 1275 C GLU A 90 -0.218 9.638 9.221 1.00 0.00 C ATOM 1276 O GLU A 90 -0.268 9.741 7.996 1.00 0.00 O ATOM 1277 CB GLU A 90 0.028 12.094 9.630 1.00 0.00 C ATOM 1278 CG GLU A 90 0.569 13.212 10.504 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.351 13.546 11.661 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -0.687 12.627 12.437 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.736 14.726 11.792 1.00 0.00 O ATOM 0 H GLU A 90 2.264 10.318 9.034 1.00 0.00 H new ATOM 0 HA GLU A 90 0.204 10.545 11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.345 12.263 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.061 12.133 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.546 12.924 10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.719 14.104 9.895 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.754 8.619 9.885 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.447 7.538 9.194 1.00 0.00 C ATOM 1290 C GLU A 91 -2.555 8.086 8.300 1.00 0.00 C ATOM 1291 O GLU A 91 -3.576 8.573 8.786 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.034 6.551 10.204 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.121 5.374 10.506 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.477 4.677 11.805 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.685 4.537 12.090 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.549 4.272 12.535 1.00 0.00 O ATOM 0 H GLU A 91 -0.722 8.519 10.900 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.722 7.018 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.250 7.080 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.983 6.175 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.176 4.657 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.090 5.723 10.556 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.345 8.005 6.990 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.327 8.493 6.028 1.00 0.00 C ATOM 1305 C ILE A 92 -4.727 7.998 6.373 1.00 0.00 C ATOM 1306 O ILE A 92 -4.907 6.949 6.991 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.977 8.051 4.594 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.930 6.524 4.505 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.647 8.653 4.164 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.784 6.006 3.092 1.00 0.00 C ATOM 0 H ILE A 92 -1.505 7.607 6.571 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.306 9.582 6.080 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.753 8.412 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.097 6.159 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.841 6.114 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.413 8.332 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.713 9.741 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.861 8.319 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.758 4.916 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.630 6.341 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.859 6.386 2.659 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.744 8.771 5.963 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.148 8.430 6.215 1.00 0.00 C ATOM 1324 C PRO A 93 -7.607 7.225 5.403 1.00 0.00 C ATOM 1325 O PRO A 93 -8.778 6.849 5.441 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.902 9.689 5.777 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.007 10.338 4.778 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.602 10.035 5.221 1.00 0.00 C ATOM 0 HA PRO A 93 -7.320 8.153 7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.869 9.439 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.096 10.349 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.193 9.949 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.180 11.413 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.927 9.929 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.199 10.828 5.851 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.677 6.623 4.669 1.00 0.00 N ATOM 1337 CA ARG A 94 -6.987 5.459 3.847 1.00 0.00 C ATOM 1338 C ARG A 94 -6.280 4.215 4.377 1.00 0.00 C ATOM 1339 O ARG A 94 -6.475 3.112 3.864 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.578 5.711 2.395 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.409 6.782 1.706 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.674 6.199 1.095 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.644 7.235 0.752 1.00 0.00 N ATOM 1344 CZ ARG A 94 -10.386 7.874 1.650 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.269 7.583 2.940 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.247 8.805 1.261 1.00 0.00 N ATOM 0 H ARG A 94 -5.703 6.922 4.627 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.063 5.291 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.528 6.004 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.664 4.780 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.675 7.557 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.815 7.260 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.417 5.633 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.126 5.498 1.797 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.758 7.482 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.608 6.868 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.840 8.075 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.340 9.032 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.816 9.294 1.952 1.00 0.00 H new ATOM 1360 N SER A 95 -5.459 4.400 5.406 1.00 0.00 N ATOM 1361 CA SER A 95 -4.720 3.294 6.002 1.00 0.00 C ATOM 1362 C SER A 95 -5.227 2.999 7.411 1.00 0.00 C ATOM 1363 O SER A 95 -5.766 3.866 8.099 1.00 0.00 O ATOM 1364 CB SER A 95 -3.225 3.613 6.042 1.00 0.00 C ATOM 1365 OG SER A 95 -2.608 3.030 7.176 1.00 0.00 O ATOM 0 H SER A 95 -5.289 5.305 5.844 1.00 0.00 H new ATOM 0 HA SER A 95 -4.878 2.410 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.747 3.244 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.081 4.693 6.061 1.00 0.00 H new ATOM 0 HG SER A 95 -1.967 3.663 7.561 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.049 1.745 7.853 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.409 0.704 7.044 1.00 0.00 C ATOM 1373 C PRO A 96 -5.275 0.271 5.865 1.00 0.00 C ATOM 1374 O PRO A 96 -6.379 0.781 5.674 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.231 -0.453 8.030 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.290 -0.243 9.056 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.460 1.247 9.176 1.00 0.00 C ATOM 0 HA PRO A 96 -3.476 1.050 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.346 -1.417 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.238 -0.442 8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.223 -0.720 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.000 -0.681 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.491 1.517 9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.839 1.660 9.971 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.768 -0.672 5.079 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.495 -1.173 3.919 1.00 0.00 C ATOM 1387 C PHE A 97 -5.739 -2.675 4.036 1.00 0.00 C ATOM 1388 O PHE A 97 -4.796 -3.465 4.104 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.721 -0.870 2.635 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.698 0.589 2.279 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.689 1.138 1.482 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.684 1.412 2.742 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.671 2.480 1.153 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.660 2.755 2.417 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.655 3.289 1.621 1.00 0.00 C ATOM 0 H PHE A 97 -3.856 -1.105 5.224 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.460 -0.668 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.696 -1.225 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.165 -1.430 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.486 0.509 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.903 0.999 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.450 2.895 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.865 3.386 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.638 4.338 1.365 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.009 -3.062 4.061 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.380 -4.468 4.170 1.00 0.00 C ATOM 1407 C LYS A 98 -7.322 -5.153 2.808 1.00 0.00 C ATOM 1408 O LYS A 98 -8.196 -4.954 1.964 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.785 -4.604 4.761 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.883 -4.140 6.204 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.270 -3.608 6.525 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.220 -4.729 6.916 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.922 -5.300 5.732 1.00 0.00 N ATOM 0 H LYS A 98 -7.800 -2.421 4.007 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.666 -4.955 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.483 -4.027 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.096 -5.647 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.647 -4.969 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.142 -3.362 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.204 -2.885 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.667 -3.078 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.663 -5.517 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.955 -4.351 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.932 -5.416 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.814 -4.658 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.510 -6.226 5.497 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.287 -5.962 2.600 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.118 -6.678 1.341 1.00 0.00 C ATOM 1429 C VAL A 99 -6.193 -8.187 1.553 1.00 0.00 C ATOM 1430 O VAL A 99 -5.256 -8.801 2.062 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.773 -6.331 0.674 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.595 -7.122 -0.613 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.682 -4.835 0.408 1.00 0.00 C ATOM 0 H VAL A 99 -5.554 -6.138 3.287 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.931 -6.364 0.687 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.967 -6.606 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.640 -6.864 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.614 -8.189 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.404 -6.881 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.726 -4.607 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.494 -4.533 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.761 -4.292 1.350 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.314 -8.779 1.157 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.513 -10.217 1.301 1.00 0.00 C ATOM 1445 C LYS A 100 -6.857 -10.973 0.151 1.00 0.00 C ATOM 1446 O LYS A 100 -7.391 -11.024 -0.957 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.007 -10.543 1.354 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.301 -12.016 1.575 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.729 -12.364 1.193 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.075 -13.796 1.573 1.00 0.00 C ATOM 1451 NZ LYS A 100 -10.392 -14.783 0.690 1.00 0.00 N ATOM 0 H LYS A 100 -8.100 -8.285 0.733 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.046 -10.533 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.468 -9.965 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.473 -10.224 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.609 -12.618 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.132 -12.268 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.417 -11.679 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.863 -12.229 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.789 -13.976 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.154 -13.938 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.653 -15.747 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.684 -14.627 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.362 -14.664 0.769 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.697 -11.564 0.423 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.970 -12.321 -0.589 1.00 0.00 C ATOM 1467 C VAL A 101 -5.693 -13.620 -0.928 1.00 0.00 C ATOM 1468 O VAL A 101 -6.391 -14.192 -0.091 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.539 -12.649 -0.124 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.756 -13.323 -1.240 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.832 -11.389 0.352 1.00 0.00 C ATOM 0 H VAL A 101 -5.241 -11.533 1.335 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.920 -11.693 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.597 -13.343 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.747 -13.547 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.255 -14.249 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.704 -12.657 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.822 -11.639 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.782 -10.669 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.384 -10.955 1.185 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.521 -14.080 -2.163 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.157 -15.313 -2.615 1.00 0.00 C ATOM 1483 C LEU A 102 -5.112 -16.350 -3.014 1.00 0.00 C ATOM 1484 O LEU A 102 -3.991 -16.020 -3.402 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.087 -15.029 -3.795 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.370 -14.263 -3.469 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.981 -13.681 -4.735 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.367 -15.169 -2.761 1.00 0.00 C ATOM 0 H LEU A 102 -4.947 -13.618 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.743 -15.714 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.530 -14.464 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.361 -15.979 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.119 -13.440 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.893 -13.140 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.271 -12.998 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.218 -14.488 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.274 -14.607 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.613 -16.013 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.929 -15.537 -1.833 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.487 -17.634 -2.922 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.597 -18.746 -3.272 1.00 0.00 C ATOM 1502 C PRO A 103 -4.337 -18.829 -4.772 1.00 0.00 C ATOM 1503 O PRO A 103 -5.267 -18.944 -5.570 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.366 -19.980 -2.794 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.797 -19.565 -2.811 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.808 -18.101 -2.467 1.00 0.00 C ATOM 0 HA PRO A 103 -3.612 -18.638 -2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.193 -20.833 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.052 -20.279 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.242 -19.739 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.379 -20.140 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.617 -17.575 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.945 -17.940 -1.398 1.00 0.00 H new ATOM 1514 N THR A 104 -3.063 -18.770 -5.151 1.00 0.00 N ATOM 1515 CA THR A 104 -2.680 -18.837 -6.555 1.00 0.00 C ATOM 1516 C THR A 104 -3.607 -19.762 -7.335 1.00 0.00 C ATOM 1517 O THR A 104 -3.902 -19.520 -8.505 1.00 0.00 O ATOM 1518 CB THR A 104 -1.229 -19.326 -6.719 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.323 -18.372 -6.154 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.894 -19.545 -8.186 1.00 0.00 C ATOM 0 H THR A 104 -2.280 -18.676 -4.504 1.00 0.00 H new ATOM 0 HA THR A 104 -2.762 -17.826 -6.953 1.00 0.00 H new ATOM 0 HB THR A 104 -1.128 -20.276 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.777 -17.510 -6.053 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.136 -19.890 -8.276 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.566 -20.294 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.012 -18.608 -8.730 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.065 -20.822 -6.678 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.958 -21.786 -7.311 1.00 0.00 C ATOM 1530 C TYR A 105 -6.412 -21.499 -6.950 1.00 0.00 C ATOM 1531 O TYR A 105 -6.789 -21.517 -5.778 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.589 -23.209 -6.890 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.315 -23.717 -7.528 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.071 -23.372 -7.016 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.357 -24.544 -8.644 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.906 -23.832 -7.596 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.197 -25.012 -9.230 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.974 -24.653 -8.703 1.00 0.00 C ATOM 1539 OH TYR A 105 0.184 -25.115 -9.284 1.00 0.00 O ATOM 0 H TYR A 105 -3.833 -21.036 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.844 -21.693 -8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.481 -23.242 -5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.408 -23.880 -7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.014 -22.732 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.313 -24.826 -9.060 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.053 -23.551 -7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.247 -25.655 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.039 -25.681 -10.052 1.00 0.00 H new