USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot 30:sc= -0.0217 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -160:sc= 0.4 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.368 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.74 K(o=-2.7,f=-11!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.0689 K(o=0.069,f=-1.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.4!) USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00301 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= -0.0588 (180deg=-0.989) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 60:sc= -2.34 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0185) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.262) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.261 20.399 6.731 1.00 0.00 N ATOM 120 CA SER A 12 -6.587 20.105 5.341 1.00 0.00 C ATOM 121 C SER A 12 -7.307 18.765 5.224 1.00 0.00 C ATOM 122 O SER A 12 -7.183 17.888 6.079 1.00 0.00 O ATOM 123 CB SER A 12 -5.317 20.091 4.488 1.00 0.00 C ATOM 124 OG SER A 12 -4.952 21.402 4.095 1.00 0.00 O ATOM 0 HA SER A 12 -7.252 20.888 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.502 19.637 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.476 19.474 3.604 1.00 0.00 H new ATOM 0 HG SER A 12 -4.137 21.366 3.553 1.00 0.00 H new ATOM 130 N PRO A 13 -8.079 18.602 4.139 1.00 0.00 N ATOM 131 CA PRO A 13 -8.834 17.372 3.883 1.00 0.00 C ATOM 132 C PRO A 13 -7.927 16.196 3.535 1.00 0.00 C ATOM 133 O PRO A 13 -8.183 15.062 3.938 1.00 0.00 O ATOM 134 CB PRO A 13 -9.715 17.739 2.687 1.00 0.00 C ATOM 135 CG PRO A 13 -8.980 18.836 1.997 1.00 0.00 C ATOM 136 CD PRO A 13 -8.273 19.605 3.079 1.00 0.00 C ATOM 0 HA PRO A 13 -9.395 17.049 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.862 16.884 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.703 18.066 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.269 18.435 1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.666 19.479 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.323 20.009 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.869 20.448 3.428 1.00 0.00 H new ATOM 144 N ASN A 14 -6.866 16.475 2.786 1.00 0.00 N ATOM 145 CA ASN A 14 -5.920 15.440 2.384 1.00 0.00 C ATOM 146 C ASN A 14 -5.201 14.860 3.598 1.00 0.00 C ATOM 147 O ASN A 14 -5.044 13.644 3.717 1.00 0.00 O ATOM 148 CB ASN A 14 -4.900 16.008 1.395 1.00 0.00 C ATOM 149 CG ASN A 14 -4.576 17.464 1.672 1.00 0.00 C ATOM 150 OD1 ASN A 14 -4.261 17.837 2.802 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.652 18.293 0.637 1.00 0.00 N ATOM 0 H ASN A 14 -6.639 17.409 2.445 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.479 14.640 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.984 15.419 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.288 15.911 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.445 19.284 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.917 17.939 -0.282 1.00 0.00 H new ATOM 158 N LEU A 15 -4.766 15.737 4.496 1.00 0.00 N ATOM 159 CA LEU A 15 -4.064 15.312 5.702 1.00 0.00 C ATOM 160 C LEU A 15 -4.980 14.494 6.606 1.00 0.00 C ATOM 161 O LEU A 15 -4.663 13.359 6.963 1.00 0.00 O ATOM 162 CB LEU A 15 -3.532 16.529 6.461 1.00 0.00 C ATOM 163 CG LEU A 15 -2.849 16.240 7.798 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.765 15.186 7.627 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.266 17.516 8.386 1.00 0.00 C ATOM 0 H LEU A 15 -4.887 16.746 4.412 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.225 14.683 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.823 17.051 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.362 17.212 6.640 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.597 15.854 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.290 14.993 8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.210 14.265 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.018 15.544 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.784 17.291 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.531 17.932 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.064 18.241 8.546 1.00 0.00 H new ATOM 177 N GLN A 16 -6.117 15.077 6.971 1.00 0.00 N ATOM 178 CA GLN A 16 -7.080 14.401 7.832 1.00 0.00 C ATOM 179 C GLN A 16 -7.311 12.966 7.369 1.00 0.00 C ATOM 180 O GLN A 16 -7.474 12.058 8.184 1.00 0.00 O ATOM 181 CB GLN A 16 -8.405 15.164 7.849 1.00 0.00 C ATOM 182 CG GLN A 16 -9.405 14.625 8.860 1.00 0.00 C ATOM 183 CD GLN A 16 -9.192 15.190 10.250 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.510 16.350 10.517 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.651 14.373 11.146 1.00 0.00 N ATOM 0 H GLN A 16 -6.394 16.016 6.684 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.671 14.376 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.208 16.213 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.850 15.125 6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.416 14.861 8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.328 13.538 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.403 13.420 10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.484 14.699 12.098 1.00 0.00 H new ATOM 194 N LYS A 17 -7.325 12.769 6.055 1.00 0.00 N ATOM 195 CA LYS A 17 -7.535 11.445 5.482 1.00 0.00 C ATOM 196 C LYS A 17 -6.362 10.522 5.798 1.00 0.00 C ATOM 197 O LYS A 17 -6.549 9.335 6.061 1.00 0.00 O ATOM 198 CB LYS A 17 -7.723 11.547 3.966 1.00 0.00 C ATOM 199 CG LYS A 17 -7.857 10.200 3.278 1.00 0.00 C ATOM 200 CD LYS A 17 -8.643 10.311 1.982 1.00 0.00 C ATOM 201 CE LYS A 17 -9.286 8.985 1.605 1.00 0.00 C ATOM 202 NZ LYS A 17 -9.859 9.018 0.231 1.00 0.00 N ATOM 0 H LYS A 17 -7.193 13.510 5.367 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.436 11.023 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.612 12.142 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.875 12.081 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.866 9.797 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.354 9.497 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.414 11.074 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.980 10.636 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.543 8.190 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.072 8.746 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.563 8.259 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.316 9.938 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.099 8.880 -0.465 1.00 0.00 H new ATOM 216 N ALA A 18 -5.155 11.077 5.772 1.00 0.00 N ATOM 217 CA ALA A 18 -3.953 10.304 6.060 1.00 0.00 C ATOM 218 C ALA A 18 -3.961 9.791 7.495 1.00 0.00 C ATOM 219 O ALA A 18 -3.616 8.637 7.754 1.00 0.00 O ATOM 220 CB ALA A 18 -2.711 11.146 5.805 1.00 0.00 C ATOM 0 H ALA A 18 -4.983 12.059 5.555 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.937 9.441 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.821 10.557 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.691 11.459 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.730 12.027 6.447 1.00 0.00 H new ATOM 226 N ILE A 19 -4.356 10.654 8.425 1.00 0.00 N ATOM 227 CA ILE A 19 -4.409 10.286 9.835 1.00 0.00 C ATOM 228 C ILE A 19 -5.371 9.125 10.065 1.00 0.00 C ATOM 229 O ILE A 19 -4.984 8.079 10.586 1.00 0.00 O ATOM 230 CB ILE A 19 -4.840 11.477 10.711 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.836 12.624 10.581 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.973 11.044 12.164 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.451 13.991 10.786 1.00 0.00 C ATOM 0 H ILE A 19 -4.644 11.612 8.228 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.402 9.981 10.120 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.812 11.830 10.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.037 12.481 11.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.378 12.585 9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.278 11.896 12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.722 10.256 12.242 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.014 10.669 12.521 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.682 14.756 10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.231 14.154 10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.884 14.049 11.784 1.00 0.00 H new ATOM 245 N ASP A 20 -6.625 9.317 9.670 1.00 0.00 N ATOM 246 CA ASP A 20 -7.643 8.285 9.830 1.00 0.00 C ATOM 247 C ASP A 20 -7.151 6.947 9.286 1.00 0.00 C ATOM 248 O ASP A 20 -7.195 5.929 9.978 1.00 0.00 O ATOM 249 CB ASP A 20 -8.932 8.696 9.118 1.00 0.00 C ATOM 250 CG ASP A 20 -10.154 8.002 9.687 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.550 8.334 10.825 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.716 7.127 8.995 1.00 0.00 O ATOM 0 H ASP A 20 -6.961 10.177 9.237 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.846 8.171 10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.060 9.775 9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.847 8.464 8.056 1.00 0.00 H new ATOM 257 N LEU A 21 -6.683 6.956 8.042 1.00 0.00 N ATOM 258 CA LEU A 21 -6.183 5.744 7.404 1.00 0.00 C ATOM 259 C LEU A 21 -5.153 5.048 8.288 1.00 0.00 C ATOM 260 O LEU A 21 -5.327 3.891 8.669 1.00 0.00 O ATOM 261 CB LEU A 21 -5.565 6.077 6.045 1.00 0.00 C ATOM 262 CG LEU A 21 -6.550 6.362 4.911 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.836 7.002 3.731 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.253 5.083 4.481 1.00 0.00 C ATOM 0 H LEU A 21 -6.640 7.790 7.456 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.024 5.067 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.919 6.947 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.927 5.246 5.745 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.302 7.061 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.553 7.197 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.380 7.940 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.062 6.328 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.950 5.305 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.514 4.361 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.799 4.666 5.327 1.00 0.00 H new ATOM 276 N ALA A 22 -4.080 5.763 8.611 1.00 0.00 N ATOM 277 CA ALA A 22 -3.023 5.216 9.453 1.00 0.00 C ATOM 278 C ALA A 22 -3.590 4.672 10.760 1.00 0.00 C ATOM 279 O ALA A 22 -3.170 3.618 11.239 1.00 0.00 O ATOM 280 CB ALA A 22 -1.969 6.277 9.734 1.00 0.00 C ATOM 0 H ALA A 22 -3.920 6.722 8.302 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.556 4.390 8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.186 5.854 10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.535 6.616 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.430 7.121 10.246 1.00 0.00 H new ATOM 286 N SER A 23 -4.544 5.397 11.334 1.00 0.00 N ATOM 287 CA SER A 23 -5.165 4.989 12.588 1.00 0.00 C ATOM 288 C SER A 23 -5.895 3.659 12.426 1.00 0.00 C ATOM 289 O SER A 23 -5.768 2.761 13.259 1.00 0.00 O ATOM 290 CB SER A 23 -6.141 6.063 13.073 1.00 0.00 C ATOM 291 OG SER A 23 -6.418 5.916 14.454 1.00 0.00 O ATOM 0 H SER A 23 -4.904 6.271 10.950 1.00 0.00 H new ATOM 0 HA SER A 23 -4.376 4.863 13.330 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.721 7.051 12.887 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.069 5.999 12.504 1.00 0.00 H new ATOM 0 HG SER A 23 -7.043 6.616 14.739 1.00 0.00 H new ATOM 297 N LYS A 24 -6.661 3.540 11.347 1.00 0.00 N ATOM 298 CA LYS A 24 -7.412 2.321 11.072 1.00 0.00 C ATOM 299 C LYS A 24 -6.479 1.118 10.971 1.00 0.00 C ATOM 300 O LYS A 24 -6.729 0.074 11.572 1.00 0.00 O ATOM 301 CB LYS A 24 -8.210 2.470 9.775 1.00 0.00 C ATOM 302 CG LYS A 24 -9.486 1.646 9.747 1.00 0.00 C ATOM 303 CD LYS A 24 -10.269 1.875 8.465 1.00 0.00 C ATOM 304 CE LYS A 24 -11.126 0.668 8.113 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.270 0.507 9.053 1.00 0.00 N ATOM 0 H LYS A 24 -6.778 4.274 10.648 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.102 2.156 11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.463 3.521 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.580 2.177 8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.239 0.588 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.107 1.905 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.904 2.754 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.578 2.083 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.504 0.775 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.511 -0.232 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.829 -0.326 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.909 0.380 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.871 1.355 9.017 1.00 0.00 H new ATOM 319 N ALA A 25 -5.402 1.273 10.208 1.00 0.00 N ATOM 320 CA ALA A 25 -4.430 0.201 10.032 1.00 0.00 C ATOM 321 C ALA A 25 -4.121 -0.483 11.359 1.00 0.00 C ATOM 322 O ALA A 25 -4.326 -1.687 11.510 1.00 0.00 O ATOM 323 CB ALA A 25 -3.154 0.744 9.405 1.00 0.00 C ATOM 0 H ALA A 25 -5.181 2.130 9.702 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.863 -0.543 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.437 -0.067 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.383 1.180 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.727 1.509 10.054 1.00 0.00 H new ATOM 329 N ALA A 26 -3.625 0.292 12.318 1.00 0.00 N ATOM 330 CA ALA A 26 -3.288 -0.239 13.632 1.00 0.00 C ATOM 331 C ALA A 26 -4.435 -1.071 14.198 1.00 0.00 C ATOM 332 O ALA A 26 -4.222 -2.169 14.712 1.00 0.00 O ATOM 333 CB ALA A 26 -2.936 0.893 14.585 1.00 0.00 C ATOM 0 H ALA A 26 -3.448 1.291 12.209 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.420 -0.889 13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.686 0.481 15.563 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.081 1.445 14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.788 1.566 14.681 1.00 0.00 H new ATOM 339 N GLN A 27 -5.649 -0.541 14.100 1.00 0.00 N ATOM 340 CA GLN A 27 -6.829 -1.235 14.603 1.00 0.00 C ATOM 341 C GLN A 27 -6.930 -2.637 14.011 1.00 0.00 C ATOM 342 O GLN A 27 -7.259 -3.593 14.711 1.00 0.00 O ATOM 343 CB GLN A 27 -8.093 -0.438 14.277 1.00 0.00 C ATOM 344 CG GLN A 27 -8.067 0.988 14.802 1.00 0.00 C ATOM 345 CD GLN A 27 -8.596 1.098 16.219 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.760 1.434 16.434 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.740 0.815 17.194 1.00 0.00 N ATOM 0 H GLN A 27 -5.842 0.367 13.677 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.733 -1.324 15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.229 -0.416 13.196 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.956 -0.955 14.696 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.045 1.364 14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.662 1.624 14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.784 0.540 16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.039 0.872 18.168 1.00 0.00 H new ATOM 356 N GLU A 28 -6.644 -2.749 12.718 1.00 0.00 N ATOM 357 CA GLU A 28 -6.704 -4.035 12.032 1.00 0.00 C ATOM 358 C GLU A 28 -5.566 -4.946 12.484 1.00 0.00 C ATOM 359 O GLU A 28 -5.793 -6.087 12.886 1.00 0.00 O ATOM 360 CB GLU A 28 -6.640 -3.834 10.517 1.00 0.00 C ATOM 361 CG GLU A 28 -7.635 -2.810 9.996 1.00 0.00 C ATOM 362 CD GLU A 28 -9.029 -3.385 9.828 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.222 -4.577 10.145 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.926 -2.641 9.377 1.00 0.00 O ATOM 0 H GLU A 28 -6.369 -1.966 12.125 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.651 -4.510 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.632 -3.521 10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.823 -4.789 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.675 -1.965 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.287 -2.425 9.038 1.00 0.00 H new ATOM 371 N ASP A 29 -4.343 -4.433 12.413 1.00 0.00 N ATOM 372 CA ASP A 29 -3.168 -5.199 12.815 1.00 0.00 C ATOM 373 C ASP A 29 -3.361 -5.801 14.203 1.00 0.00 C ATOM 374 O ASP A 29 -3.121 -6.990 14.415 1.00 0.00 O ATOM 375 CB ASP A 29 -1.924 -4.311 12.798 1.00 0.00 C ATOM 376 CG ASP A 29 -0.638 -5.114 12.842 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.584 -6.106 13.599 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.313 -4.751 12.119 1.00 0.00 O ATOM 0 H ASP A 29 -4.139 -3.490 12.081 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.033 -6.012 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.933 -3.695 11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.954 -3.632 13.650 1.00 0.00 H new ATOM 383 N LYS A 30 -3.795 -4.972 15.147 1.00 0.00 N ATOM 384 CA LYS A 30 -4.020 -5.421 16.516 1.00 0.00 C ATOM 385 C LYS A 30 -5.066 -6.531 16.559 1.00 0.00 C ATOM 386 O LYS A 30 -4.898 -7.527 17.261 1.00 0.00 O ATOM 387 CB LYS A 30 -4.468 -4.249 17.391 1.00 0.00 C ATOM 388 CG LYS A 30 -4.402 -4.542 18.880 1.00 0.00 C ATOM 389 CD LYS A 30 -4.651 -3.291 19.706 1.00 0.00 C ATOM 390 CE LYS A 30 -6.131 -2.943 19.757 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.439 -1.989 20.859 1.00 0.00 N ATOM 0 H LYS A 30 -3.998 -3.985 14.989 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.080 -5.816 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.843 -3.383 17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.491 -3.980 17.127 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.141 -5.301 19.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.424 -4.954 19.128 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.276 -3.442 20.718 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.094 -2.456 19.281 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.435 -2.508 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.714 -3.854 19.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.457 -1.777 20.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.173 -2.414 21.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.902 -1.110 20.717 1.00 0.00 H new ATOM 405 N ALA A 31 -6.144 -6.352 15.803 1.00 0.00 N ATOM 406 CA ALA A 31 -7.215 -7.340 15.753 1.00 0.00 C ATOM 407 C ALA A 31 -6.722 -8.653 15.155 1.00 0.00 C ATOM 408 O ALA A 31 -7.190 -9.729 15.525 1.00 0.00 O ATOM 409 CB ALA A 31 -8.392 -6.802 14.954 1.00 0.00 C ATOM 0 H ALA A 31 -6.299 -5.532 15.217 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.543 -7.537 16.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.184 -7.550 14.925 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.767 -5.894 15.426 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.069 -6.576 13.938 1.00 0.00 H new ATOM 415 N GLY A 32 -5.775 -8.557 14.226 1.00 0.00 N ATOM 416 CA GLY A 32 -5.236 -9.745 13.591 1.00 0.00 C ATOM 417 C GLY A 32 -5.312 -9.679 12.079 1.00 0.00 C ATOM 418 O GLY A 32 -5.067 -10.672 11.394 1.00 0.00 O ATOM 0 H GLY A 32 -5.372 -7.678 13.902 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.197 -9.876 13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.783 -10.620 13.941 1.00 0.00 H new ATOM 422 N ASN A 33 -5.654 -8.506 11.555 1.00 0.00 N ATOM 423 CA ASN A 33 -5.764 -8.315 10.114 1.00 0.00 C ATOM 424 C ASN A 33 -4.500 -7.669 9.553 1.00 0.00 C ATOM 425 O ASN A 33 -4.188 -6.519 9.864 1.00 0.00 O ATOM 426 CB ASN A 33 -6.982 -7.450 9.784 1.00 0.00 C ATOM 427 CG ASN A 33 -8.246 -8.271 9.616 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.195 -9.434 9.215 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.388 -7.667 9.922 1.00 0.00 N ATOM 0 H ASN A 33 -5.860 -7.674 12.107 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.887 -9.294 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.130 -6.718 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.790 -6.892 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.271 -8.169 9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.382 -6.701 10.251 1.00 0.00 H new ATOM 436 N TYR A 34 -3.778 -8.416 8.726 1.00 0.00 N ATOM 437 CA TYR A 34 -2.548 -7.917 8.123 1.00 0.00 C ATOM 438 C TYR A 34 -2.807 -7.385 6.717 1.00 0.00 C ATOM 439 O TYR A 34 -2.249 -6.364 6.316 1.00 0.00 O ATOM 440 CB TYR A 34 -1.493 -9.024 8.075 1.00 0.00 C ATOM 441 CG TYR A 34 -0.794 -9.252 9.395 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.508 -9.276 10.587 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.582 -9.441 9.452 1.00 0.00 C ATOM 444 CE1 TYR A 34 -0.873 -9.483 11.796 1.00 0.00 C ATOM 445 CE2 TYR A 34 1.225 -9.651 10.657 1.00 0.00 C ATOM 446 CZ TYR A 34 0.493 -9.670 11.826 1.00 0.00 C ATOM 447 OH TYR A 34 1.130 -9.877 13.028 1.00 0.00 O ATOM 0 H TYR A 34 -4.023 -9.369 8.458 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.178 -7.098 8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.968 -9.953 7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.750 -8.773 7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.578 -9.130 10.568 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.158 -9.423 8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.443 -9.498 12.713 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.294 -9.799 10.683 1.00 0.00 H new ATOM 0 HH TYR A 34 2.091 -9.992 12.873 1.00 0.00 H new ATOM 457 N GLU A 35 -3.658 -8.085 5.973 1.00 0.00 N ATOM 458 CA GLU A 35 -3.991 -7.683 4.612 1.00 0.00 C ATOM 459 C GLU A 35 -4.621 -6.293 4.593 1.00 0.00 C ATOM 460 O GLU A 35 -4.219 -5.430 3.814 1.00 0.00 O ATOM 461 CB GLU A 35 -4.947 -8.696 3.977 1.00 0.00 C ATOM 462 CG GLU A 35 -4.995 -8.620 2.460 1.00 0.00 C ATOM 463 CD GLU A 35 -5.806 -9.744 1.845 1.00 0.00 C ATOM 464 OE1 GLU A 35 -5.551 -10.917 2.187 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.697 -9.449 1.021 1.00 0.00 O ATOM 0 H GLU A 35 -4.129 -8.933 6.290 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.067 -7.652 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.646 -9.701 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.950 -8.534 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.423 -7.663 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.979 -8.652 2.066 1.00 0.00 H new ATOM 472 N GLU A 36 -5.609 -6.086 5.457 1.00 0.00 N ATOM 473 CA GLU A 36 -6.295 -4.802 5.539 1.00 0.00 C ATOM 474 C GLU A 36 -5.378 -3.732 6.127 1.00 0.00 C ATOM 475 O GLU A 36 -5.370 -2.589 5.673 1.00 0.00 O ATOM 476 CB GLU A 36 -7.561 -4.927 6.389 1.00 0.00 C ATOM 477 CG GLU A 36 -8.655 -3.948 5.999 1.00 0.00 C ATOM 478 CD GLU A 36 -9.498 -4.446 4.841 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.484 -5.171 5.093 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.172 -4.112 3.683 1.00 0.00 O ATOM 0 H GLU A 36 -5.952 -6.790 6.110 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.573 -4.503 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.947 -5.943 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.302 -4.771 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.298 -3.766 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.204 -2.993 5.731 1.00 0.00 H new ATOM 487 N ALA A 37 -4.609 -4.113 7.142 1.00 0.00 N ATOM 488 CA ALA A 37 -3.688 -3.189 7.791 1.00 0.00 C ATOM 489 C ALA A 37 -2.620 -2.702 6.817 1.00 0.00 C ATOM 490 O ALA A 37 -2.248 -1.528 6.824 1.00 0.00 O ATOM 491 CB ALA A 37 -3.041 -3.850 8.999 1.00 0.00 C ATOM 0 H ALA A 37 -4.606 -5.055 7.532 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.258 -2.323 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.355 -3.148 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.813 -4.142 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.490 -4.734 8.678 1.00 0.00 H new ATOM 497 N LEU A 38 -2.130 -3.611 5.981 1.00 0.00 N ATOM 498 CA LEU A 38 -1.104 -3.274 5.001 1.00 0.00 C ATOM 499 C LEU A 38 -1.540 -2.094 4.140 1.00 0.00 C ATOM 500 O LEU A 38 -0.997 -0.995 4.256 1.00 0.00 O ATOM 501 CB LEU A 38 -0.802 -4.484 4.114 1.00 0.00 C ATOM 502 CG LEU A 38 0.078 -4.217 2.892 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.509 -3.927 3.318 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.033 -5.398 1.934 1.00 0.00 C ATOM 0 H LEU A 38 -2.427 -4.587 5.962 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.200 -2.991 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.319 -5.246 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.748 -4.903 3.771 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.309 -3.340 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.120 -3.739 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.526 -3.049 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.908 -4.784 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.665 -5.190 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.395 -6.292 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.993 -5.559 1.603 1.00 0.00 H new ATOM 516 N GLN A 39 -2.525 -2.328 3.278 1.00 0.00 N ATOM 517 CA GLN A 39 -3.034 -1.283 2.398 1.00 0.00 C ATOM 518 C GLN A 39 -3.174 0.038 3.147 1.00 0.00 C ATOM 519 O GLN A 39 -2.628 1.061 2.730 1.00 0.00 O ATOM 520 CB GLN A 39 -4.385 -1.695 1.811 1.00 0.00 C ATOM 521 CG GLN A 39 -5.335 -2.298 2.834 1.00 0.00 C ATOM 522 CD GLN A 39 -6.390 -3.183 2.200 1.00 0.00 C ATOM 523 OE1 GLN A 39 -6.363 -4.405 2.350 1.00 0.00 O ATOM 524 NE2 GLN A 39 -7.327 -2.570 1.486 1.00 0.00 N ATOM 0 H GLN A 39 -2.986 -3.232 3.171 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.319 -1.146 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.857 -0.822 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.219 -2.417 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.763 -2.881 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.824 -1.496 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.311 -1.555 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.063 -3.114 1.036 1.00 0.00 H new ATOM 533 N LEU A 40 -3.908 0.011 4.254 1.00 0.00 N ATOM 534 CA LEU A 40 -4.119 1.207 5.062 1.00 0.00 C ATOM 535 C LEU A 40 -2.791 1.871 5.410 1.00 0.00 C ATOM 536 O LEU A 40 -2.664 3.094 5.356 1.00 0.00 O ATOM 537 CB LEU A 40 -4.878 0.854 6.342 1.00 0.00 C ATOM 538 CG LEU A 40 -6.343 0.452 6.166 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.974 0.133 7.512 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.117 1.556 5.460 1.00 0.00 C ATOM 0 H LEU A 40 -4.367 -0.826 4.613 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.712 1.910 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.355 0.036 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.836 1.712 7.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.383 -0.445 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.016 -0.151 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.435 -0.691 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.923 1.012 8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.158 1.253 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.069 2.470 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.679 1.737 4.478 1.00 0.00 H new ATOM 552 N TYR A 41 -1.804 1.056 5.767 1.00 0.00 N ATOM 553 CA TYR A 41 -0.485 1.564 6.124 1.00 0.00 C ATOM 554 C TYR A 41 0.165 2.273 4.940 1.00 0.00 C ATOM 555 O TYR A 41 0.881 3.259 5.110 1.00 0.00 O ATOM 556 CB TYR A 41 0.411 0.422 6.604 1.00 0.00 C ATOM 557 CG TYR A 41 0.215 0.070 8.062 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.174 1.060 9.036 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.072 -1.252 8.465 1.00 0.00 C ATOM 560 CE1 TYR A 41 -0.005 0.743 10.369 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.108 -1.578 9.795 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.145 -0.577 10.743 1.00 0.00 C ATOM 563 OH TYR A 41 -0.323 -0.898 12.070 1.00 0.00 O ATOM 0 H TYR A 41 -1.893 0.041 5.817 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.608 2.285 6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.216 -0.462 5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.453 0.697 6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.284 2.095 8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.102 -2.038 7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.035 1.525 11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.219 -2.611 10.091 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.406 -1.870 12.163 1.00 0.00 H new ATOM 573 N GLN A 42 -0.091 1.762 3.740 1.00 0.00 N ATOM 574 CA GLN A 42 0.469 2.345 2.526 1.00 0.00 C ATOM 575 C GLN A 42 -0.245 3.644 2.167 1.00 0.00 C ATOM 576 O GLN A 42 0.392 4.674 1.945 1.00 0.00 O ATOM 577 CB GLN A 42 0.368 1.355 1.365 1.00 0.00 C ATOM 578 CG GLN A 42 1.029 0.015 1.648 1.00 0.00 C ATOM 579 CD GLN A 42 1.310 -0.775 0.386 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.323 -0.562 -0.282 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.413 -1.695 0.050 1.00 0.00 N ATOM 0 H GLN A 42 -0.682 0.946 3.582 1.00 0.00 H new ATOM 0 HA GLN A 42 1.520 2.569 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.683 1.190 1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.826 1.797 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.964 0.181 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.386 -0.572 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.412 -1.839 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.549 -2.258 -0.790 1.00 0.00 H new ATOM 590 N HIS A 43 -1.572 3.588 2.110 1.00 0.00 N ATOM 591 CA HIS A 43 -2.373 4.760 1.778 1.00 0.00 C ATOM 592 C HIS A 43 -1.961 5.959 2.627 1.00 0.00 C ATOM 593 O HIS A 43 -1.589 7.007 2.100 1.00 0.00 O ATOM 594 CB HIS A 43 -3.859 4.463 1.981 1.00 0.00 C ATOM 595 CG HIS A 43 -4.520 3.866 0.777 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.824 4.593 -0.354 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.935 2.601 0.532 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.398 3.803 -1.243 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.478 2.588 -0.730 1.00 0.00 N ATOM 0 H HIS A 43 -2.115 2.743 2.289 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.199 5.003 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.973 3.781 2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.373 5.387 2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.854 1.759 1.203 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.743 4.100 -2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.878 1.773 -1.195 1.00 0.00 H new ATOM 608 N ALA A 44 -2.031 5.796 3.944 1.00 0.00 N ATOM 609 CA ALA A 44 -1.664 6.864 4.866 1.00 0.00 C ATOM 610 C ALA A 44 -0.447 7.632 4.361 1.00 0.00 C ATOM 611 O ALA A 44 -0.484 8.855 4.225 1.00 0.00 O ATOM 612 CB ALA A 44 -1.394 6.296 6.251 1.00 0.00 C ATOM 0 H ALA A 44 -2.338 4.935 4.396 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.500 7.560 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.121 7.105 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.290 5.799 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.577 5.577 6.196 1.00 0.00 H new ATOM 618 N VAL A 45 0.632 6.906 4.084 1.00 0.00 N ATOM 619 CA VAL A 45 1.860 7.518 3.593 1.00 0.00 C ATOM 620 C VAL A 45 1.617 8.270 2.289 1.00 0.00 C ATOM 621 O VAL A 45 1.921 9.458 2.181 1.00 0.00 O ATOM 622 CB VAL A 45 2.962 6.465 3.368 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.198 7.108 2.759 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.303 5.764 4.674 1.00 0.00 C ATOM 0 H VAL A 45 0.680 5.893 4.192 1.00 0.00 H new ATOM 0 HA VAL A 45 2.190 8.221 4.358 1.00 0.00 H new ATOM 0 HB VAL A 45 2.589 5.717 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.966 6.349 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.939 7.559 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.577 7.878 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.083 5.024 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.657 6.497 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.414 5.268 5.064 1.00 0.00 H new ATOM 634 N GLN A 46 1.066 7.570 1.303 1.00 0.00 N ATOM 635 CA GLN A 46 0.782 8.172 0.006 1.00 0.00 C ATOM 636 C GLN A 46 0.128 9.539 0.172 1.00 0.00 C ATOM 637 O GLN A 46 0.513 10.507 -0.486 1.00 0.00 O ATOM 638 CB GLN A 46 -0.125 7.256 -0.817 1.00 0.00 C ATOM 639 CG GLN A 46 0.623 6.148 -1.540 1.00 0.00 C ATOM 640 CD GLN A 46 1.172 6.593 -2.881 1.00 0.00 C ATOM 641 OE1 GLN A 46 2.352 6.924 -3.003 1.00 0.00 O ATOM 642 NE2 GLN A 46 0.318 6.603 -3.897 1.00 0.00 N ATOM 0 H GLN A 46 0.808 6.586 1.377 1.00 0.00 H new ATOM 0 HA GLN A 46 1.727 8.304 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.870 6.810 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.665 7.856 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.444 5.800 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.046 5.300 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.651 6.321 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.631 6.893 -4.824 1.00 0.00 H new ATOM 651 N TYR A 47 -0.862 9.613 1.054 1.00 0.00 N ATOM 652 CA TYR A 47 -1.572 10.861 1.304 1.00 0.00 C ATOM 653 C TYR A 47 -0.680 11.857 2.039 1.00 0.00 C ATOM 654 O TYR A 47 -0.580 13.022 1.653 1.00 0.00 O ATOM 655 CB TYR A 47 -2.840 10.598 2.119 1.00 0.00 C ATOM 656 CG TYR A 47 -3.984 10.049 1.297 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.769 10.889 0.517 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.281 8.692 1.302 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.817 10.392 -0.235 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.325 8.186 0.552 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.090 9.041 -0.215 1.00 0.00 C ATOM 662 OH TYR A 47 -7.132 8.541 -0.962 1.00 0.00 O ATOM 0 H TYR A 47 -1.191 8.823 1.608 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.850 11.290 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.608 9.895 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.157 11.527 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.557 11.948 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.685 8.021 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.419 11.059 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.541 7.128 0.566 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.188 7.571 -0.837 1.00 0.00 H new ATOM 672 N PHE A 48 -0.032 11.390 3.101 1.00 0.00 N ATOM 673 CA PHE A 48 0.852 12.238 3.892 1.00 0.00 C ATOM 674 C PHE A 48 1.850 12.967 2.997 1.00 0.00 C ATOM 675 O PHE A 48 2.026 14.182 3.105 1.00 0.00 O ATOM 676 CB PHE A 48 1.600 11.401 4.932 1.00 0.00 C ATOM 677 CG PHE A 48 0.813 11.164 6.189 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.295 12.228 6.909 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.592 9.876 6.650 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.430 12.013 8.066 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.132 9.655 7.806 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.643 10.725 8.516 1.00 0.00 C ATOM 0 H PHE A 48 -0.103 10.428 3.434 1.00 0.00 H new ATOM 0 HA PHE A 48 0.240 12.980 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.864 10.440 4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.534 11.902 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.460 13.237 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.990 9.036 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.829 12.851 8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.299 8.646 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.208 10.554 9.421 1.00 0.00 H new ATOM 692 N LEU A 49 2.500 12.219 2.113 1.00 0.00 N ATOM 693 CA LEU A 49 3.481 12.793 1.198 1.00 0.00 C ATOM 694 C LEU A 49 2.843 13.863 0.318 1.00 0.00 C ATOM 695 O LEU A 49 3.238 15.029 0.356 1.00 0.00 O ATOM 696 CB LEU A 49 4.096 11.697 0.325 1.00 0.00 C ATOM 697 CG LEU A 49 5.143 10.810 0.999 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.444 9.592 0.140 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.414 11.600 1.274 1.00 0.00 C ATOM 0 H LEU A 49 2.366 11.213 2.010 1.00 0.00 H new ATOM 0 HA LEU A 49 4.267 13.259 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.292 11.060 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.554 12.168 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 49 4.741 10.466 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.191 8.973 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.531 9.014 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.826 9.915 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.148 10.953 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.820 11.975 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.186 12.439 1.931 1.00 0.00 H new ATOM 711 N HIS A 50 1.854 13.459 -0.473 1.00 0.00 N ATOM 712 CA HIS A 50 1.159 14.384 -1.362 1.00 0.00 C ATOM 713 C HIS A 50 0.972 15.742 -0.693 1.00 0.00 C ATOM 714 O HIS A 50 1.028 16.782 -1.349 1.00 0.00 O ATOM 715 CB HIS A 50 -0.199 13.811 -1.768 1.00 0.00 C ATOM 716 CG HIS A 50 -0.839 14.540 -2.908 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.535 14.288 -4.229 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.775 15.519 -2.920 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.254 15.080 -5.004 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.015 15.837 -4.234 1.00 0.00 N ATOM 0 H HIS A 50 1.516 12.498 -0.517 1.00 0.00 H new ATOM 0 HA HIS A 50 1.769 14.519 -2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.075 12.763 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.868 13.839 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.245 15.966 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.225 15.104 -6.083 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.674 16.543 -4.562 1.00 0.00 H new ATOM 729 N VAL A 51 0.749 15.726 0.618 1.00 0.00 N ATOM 730 CA VAL A 51 0.554 16.956 1.376 1.00 0.00 C ATOM 731 C VAL A 51 1.868 17.710 1.547 1.00 0.00 C ATOM 732 O VAL A 51 1.968 18.889 1.206 1.00 0.00 O ATOM 733 CB VAL A 51 -0.045 16.670 2.765 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.205 17.961 3.554 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.378 15.949 2.632 1.00 0.00 C ATOM 0 H VAL A 51 0.699 14.874 1.177 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.143 17.571 0.807 1.00 0.00 H new ATOM 0 HB VAL A 51 0.641 16.021 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.630 17.739 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.769 18.434 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.869 18.637 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.787 15.755 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.073 16.571 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.230 15.004 2.109 1.00 0.00 H new ATOM 745 N VAL A 52 2.874 17.022 2.076 1.00 0.00 N ATOM 746 CA VAL A 52 4.184 17.627 2.291 1.00 0.00 C ATOM 747 C VAL A 52 4.819 18.046 0.970 1.00 0.00 C ATOM 748 O VAL A 52 5.823 18.758 0.950 1.00 0.00 O ATOM 749 CB VAL A 52 5.135 16.660 3.021 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.550 17.217 3.043 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.638 16.390 4.434 1.00 0.00 C ATOM 0 H VAL A 52 2.808 16.046 2.364 1.00 0.00 H new ATOM 0 HA VAL A 52 4.028 18.509 2.912 1.00 0.00 H new ATOM 0 HB VAL A 52 5.151 15.715 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.207 16.520 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.903 17.355 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.556 18.176 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.322 15.705 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.592 17.327 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.644 15.944 4.391 1.00 0.00 H new ATOM 761 N LYS A 53 4.227 17.600 -0.133 1.00 0.00 N ATOM 762 CA LYS A 53 4.733 17.930 -1.460 1.00 0.00 C ATOM 763 C LYS A 53 4.240 19.304 -1.904 1.00 0.00 C ATOM 764 O LYS A 53 5.014 20.259 -1.972 1.00 0.00 O ATOM 765 CB LYS A 53 4.297 16.869 -2.472 1.00 0.00 C ATOM 766 CG LYS A 53 5.290 16.663 -3.603 1.00 0.00 C ATOM 767 CD LYS A 53 4.993 17.577 -4.780 1.00 0.00 C ATOM 768 CE LYS A 53 5.752 18.890 -4.671 1.00 0.00 C ATOM 769 NZ LYS A 53 7.080 18.820 -5.340 1.00 0.00 N ATOM 0 H LYS A 53 3.396 17.009 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 53 5.822 17.952 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.149 15.922 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.333 17.155 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.300 16.852 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.259 15.624 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.263 17.075 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.922 17.777 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.161 19.689 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.888 19.145 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.566 19.734 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.653 18.075 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.950 18.602 -6.349 1.00 0.00 H new ATOM 783 N TYR A 54 2.949 19.396 -2.204 1.00 0.00 N ATOM 784 CA TYR A 54 2.354 20.653 -2.642 1.00 0.00 C ATOM 785 C TYR A 54 1.764 21.417 -1.461 1.00 0.00 C ATOM 786 O TYR A 54 1.982 22.619 -1.315 1.00 0.00 O ATOM 787 CB TYR A 54 1.269 20.390 -3.688 1.00 0.00 C ATOM 788 CG TYR A 54 1.622 19.290 -4.663 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.444 17.954 -4.328 1.00 0.00 C ATOM 790 CD2 TYR A 54 2.134 19.587 -5.920 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.766 16.945 -5.216 1.00 0.00 C ATOM 792 CE2 TYR A 54 2.457 18.586 -6.815 1.00 0.00 C ATOM 793 CZ TYR A 54 2.271 17.266 -6.458 1.00 0.00 C ATOM 794 OH TYR A 54 2.593 16.266 -7.346 1.00 0.00 O ATOM 0 H TYR A 54 2.295 18.615 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 54 3.140 21.262 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.341 20.129 -3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.081 21.309 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.047 17.699 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.282 20.619 -6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.623 15.911 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.853 18.835 -7.789 1.00 0.00 H new ATOM 0 HH TYR A 54 2.935 16.662 -8.175 1.00 0.00 H new ATOM 804 N GLU A 55 1.015 20.709 -0.621 1.00 0.00 N ATOM 805 CA GLU A 55 0.393 21.320 0.548 1.00 0.00 C ATOM 806 C GLU A 55 1.364 21.358 1.724 1.00 0.00 C ATOM 807 O GLU A 55 0.961 21.231 2.880 1.00 0.00 O ATOM 808 CB GLU A 55 -0.871 20.552 0.941 1.00 0.00 C ATOM 809 CG GLU A 55 -1.929 20.523 -0.150 1.00 0.00 C ATOM 810 CD GLU A 55 -1.393 19.999 -1.468 1.00 0.00 C ATOM 811 OE1 GLU A 55 -0.644 19.000 -1.450 1.00 0.00 O ATOM 812 OE2 GLU A 55 -1.724 20.588 -2.518 1.00 0.00 O ATOM 0 H GLU A 55 0.824 19.713 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 55 0.122 22.344 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.599 19.529 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.297 21.004 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.762 19.899 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.323 21.529 -0.296 1.00 0.00 H new ATOM 819 N ALA A 56 2.646 21.535 1.420 1.00 0.00 N ATOM 820 CA ALA A 56 3.675 21.591 2.451 1.00 0.00 C ATOM 821 C ALA A 56 3.268 22.531 3.581 1.00 0.00 C ATOM 822 O ALA A 56 2.542 23.500 3.363 1.00 0.00 O ATOM 823 CB ALA A 56 5.002 22.030 1.849 1.00 0.00 C ATOM 0 H ALA A 56 2.996 21.642 0.468 1.00 0.00 H new ATOM 0 HA ALA A 56 3.791 20.591 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.761 22.067 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.306 21.319 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.890 23.019 1.404 1.00 0.00 H new ATOM 829 N GLN A 57 3.741 22.236 4.788 1.00 0.00 N ATOM 830 CA GLN A 57 3.424 23.054 5.953 1.00 0.00 C ATOM 831 C GLN A 57 4.636 23.870 6.390 1.00 0.00 C ATOM 832 O GLN A 57 4.637 25.097 6.296 1.00 0.00 O ATOM 833 CB GLN A 57 2.945 22.172 7.107 1.00 0.00 C ATOM 834 CG GLN A 57 1.916 21.133 6.692 1.00 0.00 C ATOM 835 CD GLN A 57 0.495 21.657 6.765 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.236 22.825 6.475 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.436 20.793 7.155 1.00 0.00 N ATOM 0 H GLN A 57 4.344 21.437 4.984 1.00 0.00 H new ATOM 0 HA GLN A 57 2.625 23.742 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.804 21.665 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.517 22.805 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.126 20.805 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.010 20.258 7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.177 19.834 7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.410 21.089 7.223 1.00 0.00 H new ATOM 846 N GLY A 58 5.667 23.180 6.869 1.00 0.00 N ATOM 847 CA GLY A 58 6.870 23.858 7.315 1.00 0.00 C ATOM 848 C GLY A 58 7.999 22.893 7.620 1.00 0.00 C ATOM 849 O GLY A 58 7.768 21.702 7.828 1.00 0.00 O ATOM 0 H GLY A 58 5.690 22.164 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.194 24.560 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.645 24.443 8.207 1.00 0.00 H new ATOM 853 N ASP A 59 9.224 23.408 7.645 1.00 0.00 N ATOM 854 CA ASP A 59 10.393 22.584 7.926 1.00 0.00 C ATOM 855 C ASP A 59 10.122 21.633 9.088 1.00 0.00 C ATOM 856 O ASP A 59 10.600 20.498 9.100 1.00 0.00 O ATOM 857 CB ASP A 59 11.601 23.467 8.245 1.00 0.00 C ATOM 858 CG ASP A 59 12.262 24.016 6.997 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.547 24.596 6.153 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.495 23.867 6.863 1.00 0.00 O ATOM 0 H ASP A 59 9.432 24.392 7.474 1.00 0.00 H new ATOM 0 HA ASP A 59 10.610 21.991 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.285 24.295 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.329 22.889 8.814 1.00 0.00 H new ATOM 865 N LYS A 60 9.352 22.103 10.063 1.00 0.00 N ATOM 866 CA LYS A 60 9.016 21.296 11.230 1.00 0.00 C ATOM 867 C LYS A 60 8.025 20.196 10.863 1.00 0.00 C ATOM 868 O LYS A 60 8.385 19.021 10.793 1.00 0.00 O ATOM 869 CB LYS A 60 8.428 22.178 12.334 1.00 0.00 C ATOM 870 CG LYS A 60 9.480 22.880 13.175 1.00 0.00 C ATOM 871 CD LYS A 60 8.957 24.188 13.745 1.00 0.00 C ATOM 872 CE LYS A 60 8.200 23.966 15.046 1.00 0.00 C ATOM 873 NZ LYS A 60 6.846 23.392 14.808 1.00 0.00 N ATOM 0 H LYS A 60 8.948 23.040 10.068 1.00 0.00 H new ATOM 0 HA LYS A 60 9.932 20.830 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.777 22.926 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.805 21.565 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.792 22.226 13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.363 23.075 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.790 24.869 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.301 24.666 13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.771 23.296 15.689 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.105 24.913 15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.207 23.681 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.476 23.740 13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.909 22.354 14.781 1.00 0.00 H new ATOM 887 N ALA A 61 6.776 20.585 10.628 1.00 0.00 N ATOM 888 CA ALA A 61 5.735 19.631 10.264 1.00 0.00 C ATOM 889 C ALA A 61 6.257 18.602 9.268 1.00 0.00 C ATOM 890 O ALA A 61 5.955 17.413 9.373 1.00 0.00 O ATOM 891 CB ALA A 61 4.529 20.360 9.690 1.00 0.00 C ATOM 0 H ALA A 61 6.461 21.553 10.683 1.00 0.00 H new ATOM 0 HA ALA A 61 5.430 19.101 11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.760 19.636 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.134 21.051 10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.829 20.916 8.802 1.00 0.00 H new ATOM 897 N LYS A 62 7.042 19.065 8.301 1.00 0.00 N ATOM 898 CA LYS A 62 7.607 18.185 7.286 1.00 0.00 C ATOM 899 C LYS A 62 8.306 16.991 7.928 1.00 0.00 C ATOM 900 O LYS A 62 8.081 15.846 7.539 1.00 0.00 O ATOM 901 CB LYS A 62 8.594 18.955 6.406 1.00 0.00 C ATOM 902 CG LYS A 62 7.940 19.656 5.228 1.00 0.00 C ATOM 903 CD LYS A 62 8.729 20.883 4.802 1.00 0.00 C ATOM 904 CE LYS A 62 8.032 21.630 3.675 1.00 0.00 C ATOM 905 NZ LYS A 62 8.431 21.112 2.337 1.00 0.00 N ATOM 0 H LYS A 62 7.301 20.046 8.199 1.00 0.00 H new ATOM 0 HA LYS A 62 6.790 17.815 6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.111 19.695 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.350 18.264 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.861 18.964 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.925 19.950 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.858 21.548 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.726 20.582 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.952 21.539 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.272 22.691 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.935 21.647 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.458 21.222 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.179 20.105 2.265 1.00 0.00 H new ATOM 919 N GLN A 63 9.153 17.268 8.915 1.00 0.00 N ATOM 920 CA GLN A 63 9.884 16.216 9.611 1.00 0.00 C ATOM 921 C GLN A 63 8.931 15.315 10.389 1.00 0.00 C ATOM 922 O GLN A 63 9.093 14.095 10.410 1.00 0.00 O ATOM 923 CB GLN A 63 10.917 16.826 10.560 1.00 0.00 C ATOM 924 CG GLN A 63 12.032 17.574 9.846 1.00 0.00 C ATOM 925 CD GLN A 63 13.123 16.651 9.340 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.393 15.606 9.933 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.758 17.032 8.238 1.00 0.00 N ATOM 0 H GLN A 63 9.349 18.211 9.250 1.00 0.00 H new ATOM 0 HA GLN A 63 10.399 15.611 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.412 17.509 11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.353 16.033 11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.613 18.129 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.467 18.306 10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.502 17.906 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.502 16.451 7.851 1.00 0.00 H new ATOM 936 N SER A 64 7.938 15.924 11.029 1.00 0.00 N ATOM 937 CA SER A 64 6.961 15.177 11.812 1.00 0.00 C ATOM 938 C SER A 64 6.252 14.138 10.949 1.00 0.00 C ATOM 939 O SER A 64 6.355 12.936 11.197 1.00 0.00 O ATOM 940 CB SER A 64 5.935 16.129 12.429 1.00 0.00 C ATOM 941 OG SER A 64 6.429 16.707 13.625 1.00 0.00 O ATOM 0 H SER A 64 7.789 16.933 11.021 1.00 0.00 H new ATOM 0 HA SER A 64 7.492 14.659 12.610 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.690 16.916 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.012 15.588 12.637 1.00 0.00 H new ATOM 0 HG SER A 64 5.755 17.313 13.998 1.00 0.00 H new ATOM 947 N ILE A 65 5.535 14.609 9.936 1.00 0.00 N ATOM 948 CA ILE A 65 4.810 13.722 9.035 1.00 0.00 C ATOM 949 C ILE A 65 5.747 12.703 8.395 1.00 0.00 C ATOM 950 O ILE A 65 5.453 11.508 8.361 1.00 0.00 O ATOM 951 CB ILE A 65 4.092 14.511 7.924 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.995 15.393 8.523 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.509 13.559 6.890 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.417 16.389 7.541 1.00 0.00 C ATOM 0 H ILE A 65 5.440 15.601 9.718 1.00 0.00 H new ATOM 0 HA ILE A 65 4.066 13.200 9.637 1.00 0.00 H new ATOM 0 HB ILE A 65 4.819 15.154 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.193 14.757 8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.401 15.932 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.005 14.132 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.311 12.970 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.793 12.893 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.645 16.980 8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.208 17.049 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.981 15.856 6.696 1.00 0.00 H new ATOM 966 N ARG A 66 6.879 13.184 7.890 1.00 0.00 N ATOM 967 CA ARG A 66 7.860 12.315 7.251 1.00 0.00 C ATOM 968 C ARG A 66 8.190 11.121 8.142 1.00 0.00 C ATOM 969 O ARG A 66 8.134 9.973 7.703 1.00 0.00 O ATOM 970 CB ARG A 66 9.136 13.098 6.936 1.00 0.00 C ATOM 971 CG ARG A 66 9.045 13.924 5.663 1.00 0.00 C ATOM 972 CD ARG A 66 10.160 14.956 5.588 1.00 0.00 C ATOM 973 NE ARG A 66 11.369 14.411 4.974 1.00 0.00 N ATOM 974 CZ ARG A 66 11.478 14.146 3.677 1.00 0.00 C ATOM 975 NH1 ARG A 66 10.458 14.373 2.862 1.00 0.00 N ATOM 976 NH2 ARG A 66 12.611 13.652 3.194 1.00 0.00 N ATOM 0 H ARG A 66 7.139 14.170 7.911 1.00 0.00 H new ATOM 0 HA ARG A 66 7.430 11.944 6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.362 13.759 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.968 12.400 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.098 13.265 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.079 14.427 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.819 15.818 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.392 15.313 6.591 1.00 0.00 H new ATOM 0 HE ARG A 66 12.173 14.224 5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.586 14.752 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.545 14.168 1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.398 13.476 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.695 13.448 2.198 1.00 0.00 H new ATOM 990 N ALA A 67 8.534 11.401 9.395 1.00 0.00 N ATOM 991 CA ALA A 67 8.872 10.350 10.347 1.00 0.00 C ATOM 992 C ALA A 67 7.778 9.290 10.404 1.00 0.00 C ATOM 993 O ALA A 67 8.061 8.095 10.501 1.00 0.00 O ATOM 994 CB ALA A 67 9.106 10.945 11.728 1.00 0.00 C ATOM 0 H ALA A 67 8.586 12.346 9.774 1.00 0.00 H new ATOM 0 HA ALA A 67 9.790 9.869 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.358 10.149 12.429 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.927 11.661 11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.201 11.452 12.064 1.00 0.00 H new ATOM 1000 N LYS A 68 6.526 9.733 10.345 1.00 0.00 N ATOM 1001 CA LYS A 68 5.389 8.822 10.389 1.00 0.00 C ATOM 1002 C LYS A 68 5.309 7.988 9.115 1.00 0.00 C ATOM 1003 O LYS A 68 5.023 6.791 9.162 1.00 0.00 O ATOM 1004 CB LYS A 68 4.089 9.606 10.580 1.00 0.00 C ATOM 1005 CG LYS A 68 4.097 10.511 11.800 1.00 0.00 C ATOM 1006 CD LYS A 68 4.005 9.710 13.088 1.00 0.00 C ATOM 1007 CE LYS A 68 2.730 8.882 13.140 1.00 0.00 C ATOM 1008 NZ LYS A 68 2.314 8.592 14.540 1.00 0.00 N ATOM 0 H LYS A 68 6.274 10.718 10.267 1.00 0.00 H new ATOM 0 HA LYS A 68 5.528 8.148 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.905 10.210 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.260 8.903 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.009 11.108 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.261 11.208 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.871 9.053 13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.035 10.387 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.930 9.415 12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.884 7.945 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.442 8.026 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.067 8.061 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.143 9.486 15.043 1.00 0.00 H new ATOM 1022 N CYS A 69 5.565 8.626 7.979 1.00 0.00 N ATOM 1023 CA CYS A 69 5.524 7.942 6.691 1.00 0.00 C ATOM 1024 C CYS A 69 6.448 6.729 6.690 1.00 0.00 C ATOM 1025 O CYS A 69 6.045 5.627 6.314 1.00 0.00 O ATOM 1026 CB CYS A 69 5.919 8.901 5.567 1.00 0.00 C ATOM 1027 SG CYS A 69 4.564 9.939 4.972 1.00 0.00 S ATOM 0 H CYS A 69 5.803 9.616 7.923 1.00 0.00 H new ATOM 0 HA CYS A 69 4.503 7.598 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.727 9.543 5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.313 8.322 4.732 1.00 0.00 H new ATOM 0 HG CYS A 69 4.109 10.662 5.952 1.00 0.00 H new ATOM 1033 N THR A 70 7.691 6.938 7.111 1.00 0.00 N ATOM 1034 CA THR A 70 8.675 5.863 7.156 1.00 0.00 C ATOM 1035 C THR A 70 8.238 4.759 8.112 1.00 0.00 C ATOM 1036 O THR A 70 8.402 3.574 7.821 1.00 0.00 O ATOM 1037 CB THR A 70 10.058 6.385 7.589 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.519 7.376 6.664 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.065 5.247 7.666 1.00 0.00 C ATOM 0 H THR A 70 8.041 7.843 7.426 1.00 0.00 H new ATOM 0 HA THR A 70 8.748 5.458 6.147 1.00 0.00 H new ATOM 0 HB THR A 70 9.961 6.831 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.398 7.704 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.034 5.639 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.725 4.509 8.392 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.158 4.777 6.687 1.00 0.00 H new ATOM 1047 N GLU A 71 7.682 5.155 9.252 1.00 0.00 N ATOM 1048 CA GLU A 71 7.223 4.197 10.251 1.00 0.00 C ATOM 1049 C GLU A 71 6.195 3.239 9.653 1.00 0.00 C ATOM 1050 O GLU A 71 6.390 2.023 9.653 1.00 0.00 O ATOM 1051 CB GLU A 71 6.617 4.927 11.451 1.00 0.00 C ATOM 1052 CG GLU A 71 6.122 3.996 12.544 1.00 0.00 C ATOM 1053 CD GLU A 71 7.133 2.924 12.900 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.346 3.175 12.737 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.713 1.833 13.340 1.00 0.00 O ATOM 0 H GLU A 71 7.538 6.132 9.507 1.00 0.00 H new ATOM 0 HA GLU A 71 8.084 3.618 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.364 5.601 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.787 5.545 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.888 4.579 13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.195 3.523 12.220 1.00 0.00 H new ATOM 1062 N TYR A 72 5.101 3.796 9.146 1.00 0.00 N ATOM 1063 CA TYR A 72 4.042 2.993 8.548 1.00 0.00 C ATOM 1064 C TYR A 72 4.570 2.188 7.365 1.00 0.00 C ATOM 1065 O TYR A 72 4.116 1.072 7.106 1.00 0.00 O ATOM 1066 CB TYR A 72 2.888 3.889 8.095 1.00 0.00 C ATOM 1067 CG TYR A 72 2.268 4.692 9.217 1.00 0.00 C ATOM 1068 CD1 TYR A 72 1.735 4.063 10.336 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.214 6.079 9.158 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.168 4.792 11.363 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.650 6.816 10.181 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.128 6.168 11.281 1.00 0.00 C ATOM 1073 OH TYR A 72 0.564 6.899 12.301 1.00 0.00 O ATOM 0 H TYR A 72 4.925 4.801 9.137 1.00 0.00 H new ATOM 0 HA TYR A 72 3.678 2.297 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.250 4.573 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.118 3.270 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.765 2.986 10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.620 6.590 8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.758 4.287 12.225 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.618 7.894 10.120 1.00 0.00 H new ATOM 0 HH TYR A 72 0.678 6.420 13.148 1.00 0.00 H new ATOM 1083 N LEU A 73 5.532 2.761 6.650 1.00 0.00 N ATOM 1084 CA LEU A 73 6.124 2.098 5.494 1.00 0.00 C ATOM 1085 C LEU A 73 6.875 0.838 5.913 1.00 0.00 C ATOM 1086 O LEU A 73 6.690 -0.230 5.330 1.00 0.00 O ATOM 1087 CB LEU A 73 7.072 3.051 4.765 1.00 0.00 C ATOM 1088 CG LEU A 73 6.411 4.126 3.902 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.392 5.249 3.601 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.879 3.521 2.611 1.00 0.00 C ATOM 0 H LEU A 73 5.918 3.683 6.851 1.00 0.00 H new ATOM 0 HA LEU A 73 5.318 1.810 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.700 3.544 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.732 2.460 4.131 1.00 0.00 H new ATOM 0 HG LEU A 73 5.572 4.544 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.903 6.004 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.725 5.702 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.252 4.847 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.412 4.301 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.702 3.075 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.142 2.753 2.846 1.00 0.00 H new ATOM 1102 N ASP A 74 7.720 0.971 6.930 1.00 0.00 N ATOM 1103 CA ASP A 74 8.497 -0.157 7.430 1.00 0.00 C ATOM 1104 C ASP A 74 7.579 -1.265 7.939 1.00 0.00 C ATOM 1105 O ASP A 74 7.819 -2.447 7.690 1.00 0.00 O ATOM 1106 CB ASP A 74 9.435 0.298 8.549 1.00 0.00 C ATOM 1107 CG ASP A 74 10.607 -0.645 8.742 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.004 -1.306 7.760 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.126 -0.721 9.874 1.00 0.00 O ATOM 0 H ASP A 74 7.884 1.848 7.424 1.00 0.00 H new ATOM 0 HA ASP A 74 9.092 -0.551 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.809 1.296 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.875 0.372 9.481 1.00 0.00 H new ATOM 1114 N ARG A 75 6.529 -0.875 8.654 1.00 0.00 N ATOM 1115 CA ARG A 75 5.578 -1.835 9.200 1.00 0.00 C ATOM 1116 C ARG A 75 4.969 -2.688 8.091 1.00 0.00 C ATOM 1117 O ARG A 75 4.978 -3.916 8.163 1.00 0.00 O ATOM 1118 CB ARG A 75 4.470 -1.109 9.966 1.00 0.00 C ATOM 1119 CG ARG A 75 3.392 -2.036 10.502 1.00 0.00 C ATOM 1120 CD ARG A 75 3.929 -2.938 11.602 1.00 0.00 C ATOM 1121 NE ARG A 75 2.889 -3.320 12.554 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.102 -4.118 13.594 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.311 -4.615 13.816 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.105 -4.419 14.416 1.00 0.00 N ATOM 0 H ARG A 75 6.316 0.099 8.869 1.00 0.00 H new ATOM 0 HA ARG A 75 6.115 -2.490 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.914 -0.562 10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.009 -0.371 9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.561 -1.445 10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.998 -2.646 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.360 -3.835 11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.733 -2.426 12.130 1.00 0.00 H new ATOM 0 HE ARG A 75 1.948 -2.954 12.412 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.080 -4.385 13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.472 -5.228 14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.174 -4.037 14.249 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.270 -5.032 15.214 1.00 0.00 H new ATOM 1138 N ALA A 76 4.439 -2.027 7.067 1.00 0.00 N ATOM 1139 CA ALA A 76 3.827 -2.724 5.942 1.00 0.00 C ATOM 1140 C ALA A 76 4.795 -3.730 5.328 1.00 0.00 C ATOM 1141 O ALA A 76 4.417 -4.861 5.023 1.00 0.00 O ATOM 1142 CB ALA A 76 3.364 -1.726 4.892 1.00 0.00 C ATOM 0 H ALA A 76 4.421 -1.010 6.993 1.00 0.00 H new ATOM 0 HA ALA A 76 2.961 -3.272 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.909 -2.260 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.632 -1.049 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.219 -1.153 4.533 1.00 0.00 H new ATOM 1148 N GLU A 77 6.043 -3.310 5.148 1.00 0.00 N ATOM 1149 CA GLU A 77 7.063 -4.176 4.569 1.00 0.00 C ATOM 1150 C GLU A 77 7.103 -5.524 5.282 1.00 0.00 C ATOM 1151 O GLU A 77 7.367 -6.558 4.668 1.00 0.00 O ATOM 1152 CB GLU A 77 8.437 -3.505 4.646 1.00 0.00 C ATOM 1153 CG GLU A 77 8.602 -2.343 3.680 1.00 0.00 C ATOM 1154 CD GLU A 77 10.048 -2.111 3.290 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.895 -1.989 4.199 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.333 -2.050 2.076 1.00 0.00 O ATOM 0 H GLU A 77 6.372 -2.376 5.394 1.00 0.00 H new ATOM 0 HA GLU A 77 6.807 -4.346 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.601 -3.148 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.207 -4.249 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.014 -2.535 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.202 -1.437 4.135 1.00 0.00 H new ATOM 1163 N LYS A 78 6.838 -5.506 6.584 1.00 0.00 N ATOM 1164 CA LYS A 78 6.842 -6.725 7.384 1.00 0.00 C ATOM 1165 C LYS A 78 5.579 -7.543 7.134 1.00 0.00 C ATOM 1166 O LYS A 78 5.630 -8.771 7.047 1.00 0.00 O ATOM 1167 CB LYS A 78 6.956 -6.384 8.871 1.00 0.00 C ATOM 1168 CG LYS A 78 8.249 -5.675 9.235 1.00 0.00 C ATOM 1169 CD LYS A 78 9.445 -6.606 9.127 1.00 0.00 C ATOM 1170 CE LYS A 78 10.754 -5.832 9.110 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.003 -5.190 7.789 1.00 0.00 N ATOM 0 H LYS A 78 6.617 -4.659 7.108 1.00 0.00 H new ATOM 0 HA LYS A 78 7.705 -7.321 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.113 -5.754 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.879 -7.303 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.393 -4.818 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.179 -5.288 10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.443 -7.301 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.362 -7.203 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.734 -5.068 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.577 -6.506 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.962 -4.788 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.913 -5.901 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.308 -4.432 7.635 1.00 0.00 H new ATOM 1185 N LEU A 79 4.448 -6.856 7.019 1.00 0.00 N ATOM 1186 CA LEU A 79 3.171 -7.520 6.778 1.00 0.00 C ATOM 1187 C LEU A 79 3.204 -8.304 5.470 1.00 0.00 C ATOM 1188 O LEU A 79 2.649 -9.399 5.376 1.00 0.00 O ATOM 1189 CB LEU A 79 2.039 -6.492 6.742 1.00 0.00 C ATOM 1190 CG LEU A 79 1.820 -5.688 8.024 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.903 -4.504 7.762 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.247 -6.577 9.119 1.00 0.00 C ATOM 0 H LEU A 79 4.389 -5.840 7.089 1.00 0.00 H new ATOM 0 HA LEU A 79 2.992 -8.219 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.235 -5.794 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.112 -7.011 6.500 1.00 0.00 H new ATOM 0 HG LEU A 79 2.784 -5.306 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.759 -3.944 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.353 -3.855 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.061 -4.863 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.097 -5.989 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.292 -6.988 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.941 -7.392 9.326 1.00 0.00 H new ATOM 1204 N LYS A 80 3.859 -7.737 4.463 1.00 0.00 N ATOM 1205 CA LYS A 80 3.968 -8.384 3.160 1.00 0.00 C ATOM 1206 C LYS A 80 4.645 -9.746 3.284 1.00 0.00 C ATOM 1207 O LYS A 80 4.070 -10.769 2.914 1.00 0.00 O ATOM 1208 CB LYS A 80 4.756 -7.498 2.192 1.00 0.00 C ATOM 1209 CG LYS A 80 4.100 -6.153 1.928 1.00 0.00 C ATOM 1210 CD LYS A 80 4.996 -5.249 1.099 1.00 0.00 C ATOM 1211 CE LYS A 80 4.575 -3.792 1.212 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.711 -2.865 0.952 1.00 0.00 N ATOM 0 H LYS A 80 4.323 -6.831 4.524 1.00 0.00 H new ATOM 0 HA LYS A 80 2.961 -8.532 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.755 -7.333 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.877 -8.026 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.154 -6.304 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.869 -5.667 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.029 -5.357 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.961 -5.559 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.772 -3.590 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.175 -3.606 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.629 -2.033 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.609 -3.353 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.690 -2.560 -0.042 1.00 0.00 H new ATOM 1226 N GLU A 81 5.867 -9.749 3.807 1.00 0.00 N ATOM 1227 CA GLU A 81 6.619 -10.986 3.979 1.00 0.00 C ATOM 1228 C GLU A 81 5.800 -12.020 4.747 1.00 0.00 C ATOM 1229 O GLU A 81 5.918 -13.222 4.510 1.00 0.00 O ATOM 1230 CB GLU A 81 7.933 -10.712 4.715 1.00 0.00 C ATOM 1231 CG GLU A 81 8.887 -9.817 3.943 1.00 0.00 C ATOM 1232 CD GLU A 81 9.475 -10.504 2.725 1.00 0.00 C ATOM 1233 OE1 GLU A 81 9.595 -11.746 2.744 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.817 -9.797 1.753 1.00 0.00 O ATOM 0 H GLU A 81 6.357 -8.910 4.118 1.00 0.00 H new ATOM 0 HA GLU A 81 6.841 -11.386 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.711 -10.249 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.427 -11.661 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.360 -8.916 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.695 -9.500 4.602 1.00 0.00 H new ATOM 1241 N TYR A 82 4.970 -11.542 5.667 1.00 0.00 N ATOM 1242 CA TYR A 82 4.132 -12.423 6.472 1.00 0.00 C ATOM 1243 C TYR A 82 2.992 -13.001 5.640 1.00 0.00 C ATOM 1244 O TYR A 82 2.793 -14.216 5.596 1.00 0.00 O ATOM 1245 CB TYR A 82 3.567 -11.666 7.675 1.00 0.00 C ATOM 1246 CG TYR A 82 2.246 -12.212 8.168 1.00 0.00 C ATOM 1247 CD1 TYR A 82 2.202 -13.244 9.098 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.043 -11.696 7.704 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.998 -13.746 9.551 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -0.167 -12.191 8.153 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.184 -13.216 9.076 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.386 -13.713 9.524 1.00 0.00 O ATOM 0 H TYR A 82 4.859 -10.549 5.874 1.00 0.00 H new ATOM 0 HA TYR A 82 4.752 -13.246 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.291 -11.701 8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.440 -10.617 7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.125 -13.660 9.473 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.053 -10.895 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.982 -14.549 10.273 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.094 -11.778 7.783 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.121 -13.230 9.092 1.00 0.00 H new ATOM 1262 N LEU A 83 2.246 -12.123 4.980 1.00 0.00 N ATOM 1263 CA LEU A 83 1.125 -12.544 4.147 1.00 0.00 C ATOM 1264 C LEU A 83 1.565 -13.593 3.130 1.00 0.00 C ATOM 1265 O LEU A 83 0.932 -14.639 2.988 1.00 0.00 O ATOM 1266 CB LEU A 83 0.520 -11.339 3.424 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.154 -10.292 4.312 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.406 -9.012 3.530 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.455 -10.835 4.884 1.00 0.00 C ATOM 0 H LEU A 83 2.397 -11.115 5.005 1.00 0.00 H new ATOM 0 HA LEU A 83 0.370 -12.988 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.309 -10.849 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.214 -11.703 2.705 1.00 0.00 H new ATOM 0 HG LEU A 83 0.515 -10.061 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.886 -8.278 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.542 -8.613 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.055 -9.226 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.921 -10.076 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.130 -11.095 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.247 -11.723 5.480 1.00 0.00 H new ATOM 1281 N LYS A 84 2.655 -13.306 2.427 1.00 0.00 N ATOM 1282 CA LYS A 84 3.184 -14.225 1.426 1.00 0.00 C ATOM 1283 C LYS A 84 3.644 -15.528 2.072 1.00 0.00 C ATOM 1284 O LYS A 84 3.506 -16.603 1.490 1.00 0.00 O ATOM 1285 CB LYS A 84 4.348 -13.578 0.674 1.00 0.00 C ATOM 1286 CG LYS A 84 5.589 -13.381 1.527 1.00 0.00 C ATOM 1287 CD LYS A 84 6.748 -12.837 0.709 1.00 0.00 C ATOM 1288 CE LYS A 84 6.477 -11.417 0.235 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.578 -10.900 -0.625 1.00 0.00 N ATOM 0 H LYS A 84 3.190 -12.444 2.532 1.00 0.00 H new ATOM 0 HA LYS A 84 2.385 -14.452 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.603 -14.197 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.027 -12.611 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.365 -12.694 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.876 -14.331 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.658 -12.854 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.922 -13.482 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.540 -11.392 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.353 -10.763 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.356 -9.930 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.468 -10.900 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.680 -11.509 -1.462 1.00 0.00 H new