USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= -1.73 K(o=-2.4,f=-6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.652 K(o=-2.4,f=-4.1) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -63:sc= 1.31 USER MOD Set 3.1: A 26 HIS :FLIP no HD1:sc= -0.163 F(o=-0.99,f=-0.2) USER MOD Set 3.2: A 55 THR OG1 : rot -134:sc= -0.0418 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -141:sc= 0.012 (180deg=0) USER MOD Set 4.2: A 15 HIS : no HE2:sc= -0.286 X(o=-0.27,f=-0.074) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00801 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0865 (180deg=-0.716) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -40:sc= -0.184 USER MOD Single : A 27 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 88:sc= 0.971 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.56) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0791 F(o=-0.92!,f=-0.079) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= -0.282 (180deg=-1.04) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -108:sc= 0.595 USER MOD Single : A 80 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.747 -8.492 -11.177 1.00 0.00 N ATOM 66 CA LYS A 5 1.486 -8.785 -9.961 1.00 0.00 C ATOM 67 C LYS A 5 0.464 -9.182 -8.894 1.00 0.00 C ATOM 68 O LYS A 5 0.278 -8.539 -7.865 1.00 0.00 O ATOM 69 CB LYS A 5 2.393 -7.614 -9.588 1.00 0.00 C ATOM 70 CG LYS A 5 3.844 -7.681 -10.082 1.00 0.00 C ATOM 71 CD LYS A 5 4.085 -7.005 -11.444 1.00 0.00 C ATOM 72 CE LYS A 5 5.301 -6.058 -11.355 1.00 0.00 C ATOM 73 NZ LYS A 5 6.091 -6.012 -12.601 1.00 0.00 N ATOM 0 HA LYS A 5 2.174 -9.621 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.944 -6.699 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.407 -7.527 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.490 -7.213 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.143 -8.727 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.258 -7.762 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.199 -6.445 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.955 -5.053 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.944 -6.378 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.893 -5.361 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.448 -6.964 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.489 -5.679 -13.381 1.00 0.00 H new ATOM 87 N TYR A 6 -0.247 -10.263 -9.179 1.00 0.00 N ATOM 88 CA TYR A 6 -1.182 -10.833 -8.237 1.00 0.00 C ATOM 89 C TYR A 6 -0.408 -11.392 -7.039 1.00 0.00 C ATOM 90 O TYR A 6 0.352 -12.343 -7.204 1.00 0.00 O ATOM 91 CB TYR A 6 -1.990 -11.901 -8.963 1.00 0.00 C ATOM 92 CG TYR A 6 -3.043 -11.319 -9.889 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.328 -11.023 -9.401 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.726 -11.016 -11.224 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.341 -10.607 -10.281 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.714 -10.496 -12.078 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.035 -10.360 -11.627 1.00 0.00 C ATOM 98 OH TYR A 6 -6.034 -10.051 -12.504 1.00 0.00 O ATOM 0 H TYR A 6 -0.188 -10.763 -10.066 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.875 -10.085 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.314 -12.531 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.475 -12.544 -8.229 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.537 -11.116 -8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.725 -11.182 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.351 -10.478 -9.922 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.455 -10.200 -13.084 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.654 -9.908 -13.396 1.00 0.00 H new ATOM 108 N TYR A 7 -0.580 -10.798 -5.853 1.00 0.00 N ATOM 109 CA TYR A 7 0.130 -11.177 -4.635 1.00 0.00 C ATOM 110 C TYR A 7 -0.848 -11.701 -3.587 1.00 0.00 C ATOM 111 O TYR A 7 -1.985 -11.235 -3.512 1.00 0.00 O ATOM 112 CB TYR A 7 0.892 -9.963 -4.102 1.00 0.00 C ATOM 113 CG TYR A 7 2.030 -9.503 -4.989 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.082 -10.387 -5.292 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.102 -8.165 -5.413 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.182 -9.948 -6.049 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.241 -7.710 -6.098 1.00 0.00 C ATOM 118 CZ TYR A 7 4.266 -8.604 -6.438 1.00 0.00 C ATOM 119 OH TYR A 7 5.388 -8.140 -7.056 1.00 0.00 O ATOM 0 H TYR A 7 -1.231 -10.025 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 7 0.837 -11.975 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.192 -9.138 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.289 -10.202 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.044 -11.408 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.284 -7.489 -5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.959 -10.643 -6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.327 -6.667 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 7 5.280 -7.187 -7.258 1.00 0.00 H new ATOM 129 N THR A 8 -0.425 -12.677 -2.779 1.00 0.00 N ATOM 130 CA THR A 8 -1.276 -13.291 -1.769 1.00 0.00 C ATOM 131 C THR A 8 -1.229 -12.485 -0.474 1.00 0.00 C ATOM 132 O THR A 8 -0.249 -11.792 -0.203 1.00 0.00 O ATOM 133 CB THR A 8 -0.842 -14.746 -1.521 1.00 0.00 C ATOM 134 OG1 THR A 8 0.407 -14.783 -0.859 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.727 -15.535 -2.827 1.00 0.00 C ATOM 0 H THR A 8 0.520 -13.061 -2.811 1.00 0.00 H new ATOM 0 HA THR A 8 -2.304 -13.296 -2.131 1.00 0.00 H new ATOM 0 HB THR A 8 -1.611 -15.205 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.669 -15.715 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.418 -16.557 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.694 -15.548 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.013 -15.063 -3.473 1.00 0.00 H new ATOM 143 N LEU A 9 -2.284 -12.597 0.342 1.00 0.00 N ATOM 144 CA LEU A 9 -2.389 -11.886 1.599 1.00 0.00 C ATOM 145 C LEU A 9 -1.128 -12.107 2.426 1.00 0.00 C ATOM 146 O LEU A 9 -0.441 -11.144 2.742 1.00 0.00 O ATOM 147 CB LEU A 9 -3.633 -12.326 2.379 1.00 0.00 C ATOM 148 CG LEU A 9 -4.991 -12.020 1.726 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.077 -10.605 1.145 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.396 -13.043 0.663 1.00 0.00 C ATOM 0 H LEU A 9 -3.088 -13.190 0.137 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.491 -10.822 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.569 -13.401 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.609 -11.848 3.358 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.703 -12.091 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.060 -10.454 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.923 -9.875 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.309 -10.478 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.363 -12.768 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.648 -13.060 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.466 -14.031 1.117 1.00 0.00 H new ATOM 162 N GLU A 10 -0.813 -13.369 2.742 1.00 0.00 N ATOM 163 CA GLU A 10 0.349 -13.730 3.534 1.00 0.00 C ATOM 164 C GLU A 10 1.612 -13.055 2.996 1.00 0.00 C ATOM 165 O GLU A 10 2.330 -12.403 3.753 1.00 0.00 O ATOM 166 CB GLU A 10 0.486 -15.258 3.583 1.00 0.00 C ATOM 167 CG GLU A 10 1.695 -15.660 4.433 1.00 0.00 C ATOM 168 CD GLU A 10 1.702 -17.150 4.742 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.820 -17.564 5.524 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.583 -17.842 4.190 1.00 0.00 O ATOM 0 H GLU A 10 -1.370 -14.171 2.447 1.00 0.00 H new ATOM 0 HA GLU A 10 0.214 -13.370 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.421 -15.697 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.597 -15.652 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.612 -15.394 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.687 -15.096 5.366 1.00 0.00 H new ATOM 177 N GLU A 11 1.877 -13.189 1.691 1.00 0.00 N ATOM 178 CA GLU A 11 3.063 -12.596 1.092 1.00 0.00 C ATOM 179 C GLU A 11 3.084 -11.092 1.376 1.00 0.00 C ATOM 180 O GLU A 11 4.044 -10.562 1.929 1.00 0.00 O ATOM 181 CB GLU A 11 3.107 -12.896 -0.411 1.00 0.00 C ATOM 182 CG GLU A 11 4.508 -12.623 -0.981 1.00 0.00 C ATOM 183 CD GLU A 11 4.444 -11.808 -2.264 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.896 -10.690 -2.182 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.933 -12.320 -3.293 1.00 0.00 O ATOM 0 H GLU A 11 1.285 -13.702 1.038 1.00 0.00 H new ATOM 0 HA GLU A 11 3.957 -13.035 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.834 -13.937 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.372 -12.282 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.105 -12.090 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.013 -13.569 -1.176 1.00 0.00 H new ATOM 192 N ILE A 12 1.995 -10.394 1.072 1.00 0.00 N ATOM 193 CA ILE A 12 1.932 -8.957 1.295 1.00 0.00 C ATOM 194 C ILE A 12 2.165 -8.656 2.788 1.00 0.00 C ATOM 195 O ILE A 12 2.952 -7.779 3.141 1.00 0.00 O ATOM 196 CB ILE A 12 0.593 -8.416 0.768 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.392 -8.774 -0.724 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.521 -6.896 0.970 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.083 -8.933 -1.099 1.00 0.00 C ATOM 0 H ILE A 12 1.148 -10.799 0.672 1.00 0.00 H new ATOM 0 HA ILE A 12 2.720 -8.444 0.744 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.210 -8.887 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.838 -7.996 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.921 -9.701 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.432 -6.524 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.606 -6.666 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.337 -6.418 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.165 -9.184 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.526 -9.730 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.610 -7.999 -0.906 1.00 0.00 H new ATOM 211 N GLN A 13 1.527 -9.426 3.672 1.00 0.00 N ATOM 212 CA GLN A 13 1.603 -9.283 5.121 1.00 0.00 C ATOM 213 C GLN A 13 3.018 -9.574 5.652 1.00 0.00 C ATOM 214 O GLN A 13 3.343 -9.177 6.774 1.00 0.00 O ATOM 215 CB GLN A 13 0.526 -10.169 5.784 1.00 0.00 C ATOM 216 CG GLN A 13 -0.468 -9.379 6.656 1.00 0.00 C ATOM 217 CD GLN A 13 -1.616 -10.258 7.156 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.525 -11.481 7.119 1.00 0.00 O ATOM 219 NE2 GLN A 13 -2.725 -9.684 7.616 1.00 0.00 N ATOM 0 H GLN A 13 0.921 -10.194 3.384 1.00 0.00 H new ATOM 0 HA GLN A 13 1.398 -8.246 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.026 -10.699 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.016 -10.924 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.059 -8.951 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.873 -8.546 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.798 -8.667 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.502 -10.261 7.939 1.00 0.00 H new ATOM 228 N LYS A 14 3.866 -10.237 4.855 1.00 0.00 N ATOM 229 CA LYS A 14 5.233 -10.589 5.209 1.00 0.00 C ATOM 230 C LYS A 14 6.151 -9.382 4.981 1.00 0.00 C ATOM 231 O LYS A 14 7.141 -9.203 5.692 1.00 0.00 O ATOM 232 CB LYS A 14 5.618 -11.850 4.411 1.00 0.00 C ATOM 233 CG LYS A 14 7.024 -12.423 4.627 1.00 0.00 C ATOM 234 CD LYS A 14 8.059 -11.738 3.719 1.00 0.00 C ATOM 235 CE LYS A 14 9.206 -12.690 3.353 1.00 0.00 C ATOM 236 NZ LYS A 14 10.026 -12.142 2.253 1.00 0.00 N ATOM 0 H LYS A 14 3.605 -10.549 3.920 1.00 0.00 H new ATOM 0 HA LYS A 14 5.339 -10.834 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.896 -12.632 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.506 -11.624 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.313 -12.296 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.016 -13.494 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.571 -11.388 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.461 -10.859 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.834 -12.860 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.799 -13.658 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.301 -12.911 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.475 -11.432 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.880 -11.697 2.645 1.00 0.00 H new ATOM 250 N HIS A 15 5.831 -8.530 4.002 1.00 0.00 N ATOM 251 CA HIS A 15 6.595 -7.326 3.706 1.00 0.00 C ATOM 252 C HIS A 15 6.146 -6.190 4.627 1.00 0.00 C ATOM 253 O HIS A 15 5.321 -5.364 4.239 1.00 0.00 O ATOM 254 CB HIS A 15 6.427 -6.974 2.221 1.00 0.00 C ATOM 255 CG HIS A 15 7.231 -7.874 1.316 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.364 -7.521 0.619 1.00 0.00 N ATOM 257 CD2 HIS A 15 7.081 -9.229 1.195 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.887 -8.647 0.101 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.171 -9.723 0.464 1.00 0.00 N ATOM 0 H HIS A 15 5.026 -8.663 3.390 1.00 0.00 H new ATOM 0 HA HIS A 15 7.656 -7.492 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.373 -7.043 1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.730 -5.939 2.060 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.739 -6.578 0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.266 -9.815 1.593 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.767 -8.681 -0.524 1.00 0.00 H new ATOM 267 N LYS A 16 6.694 -6.141 5.850 1.00 0.00 N ATOM 268 CA LYS A 16 6.346 -5.099 6.810 1.00 0.00 C ATOM 269 C LYS A 16 7.536 -4.645 7.662 1.00 0.00 C ATOM 270 O LYS A 16 7.465 -4.684 8.891 1.00 0.00 O ATOM 271 CB LYS A 16 5.168 -5.564 7.688 1.00 0.00 C ATOM 272 CG LYS A 16 4.340 -4.324 8.027 1.00 0.00 C ATOM 273 CD LYS A 16 3.527 -4.346 9.331 1.00 0.00 C ATOM 274 CE LYS A 16 2.443 -5.429 9.444 1.00 0.00 C ATOM 275 NZ LYS A 16 2.993 -6.782 9.636 1.00 0.00 N ATOM 0 H LYS A 16 7.380 -6.814 6.192 1.00 0.00 H new ATOM 0 HA LYS A 16 6.040 -4.222 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.561 -6.299 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.531 -6.044 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.016 -3.469 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.649 -4.146 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.220 -4.469 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.051 -3.373 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.785 -5.189 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.831 -5.417 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.270 -7.393 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.275 -7.176 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.823 -6.734 10.261 1.00 0.00 H new ATOM 334 N SER A 20 11.064 -2.802 2.722 1.00 0.00 N ATOM 335 CA SER A 20 10.038 -2.914 1.697 1.00 0.00 C ATOM 336 C SER A 20 8.686 -2.666 2.365 1.00 0.00 C ATOM 337 O SER A 20 8.215 -3.540 3.090 1.00 0.00 O ATOM 338 CB SER A 20 10.033 -4.310 1.059 1.00 0.00 C ATOM 339 OG SER A 20 11.225 -4.612 0.359 1.00 0.00 O ATOM 0 HA SER A 20 10.236 -2.187 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.879 -5.057 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.189 -4.385 0.374 1.00 0.00 H new ATOM 0 HG SER A 20 11.161 -5.513 -0.022 1.00 0.00 H new ATOM 345 N THR A 21 8.077 -1.499 2.153 1.00 0.00 N ATOM 346 CA THR A 21 6.795 -1.146 2.726 1.00 0.00 C ATOM 347 C THR A 21 5.733 -1.304 1.646 1.00 0.00 C ATOM 348 O THR A 21 5.634 -0.478 0.737 1.00 0.00 O ATOM 349 CB THR A 21 6.891 0.291 3.228 1.00 0.00 C ATOM 350 OG1 THR A 21 7.823 0.311 4.291 1.00 0.00 O ATOM 351 CG2 THR A 21 5.543 0.820 3.716 1.00 0.00 C ATOM 0 H THR A 21 8.475 -0.765 1.567 1.00 0.00 H new ATOM 0 HA THR A 21 6.524 -1.788 3.564 1.00 0.00 H new ATOM 0 HB THR A 21 7.207 0.935 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.700 -0.485 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.659 1.846 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.824 0.794 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.183 0.198 4.535 1.00 0.00 H new ATOM 359 N TRP A 22 4.942 -2.370 1.765 1.00 0.00 N ATOM 360 CA TRP A 22 3.829 -2.650 0.879 1.00 0.00 C ATOM 361 C TRP A 22 2.527 -2.401 1.614 1.00 0.00 C ATOM 362 O TRP A 22 2.449 -2.591 2.824 1.00 0.00 O ATOM 363 CB TRP A 22 3.879 -4.098 0.430 1.00 0.00 C ATOM 364 CG TRP A 22 4.943 -4.443 -0.560 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.084 -3.764 -0.824 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.913 -5.539 -1.505 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.751 -4.365 -1.866 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.082 -5.484 -2.316 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.982 -6.558 -1.770 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.333 -6.424 -3.324 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.234 -7.522 -2.757 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.424 -7.479 -3.506 1.00 0.00 C ATOM 0 H TRP A 22 5.065 -3.071 2.495 1.00 0.00 H new ATOM 0 HA TRP A 22 3.893 -1.999 0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.013 -4.726 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.912 -4.357 -0.001 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.420 -2.884 -0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.630 -4.026 -2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.061 -6.599 -1.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.209 -6.339 -3.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.510 -8.302 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.639 -8.258 -4.222 1.00 0.00 H new ATOM 383 N VAL A 23 1.506 -2.007 0.868 1.00 0.00 N ATOM 384 CA VAL A 23 0.179 -1.691 1.376 1.00 0.00 C ATOM 385 C VAL A 23 -0.838 -2.170 0.347 1.00 0.00 C ATOM 386 O VAL A 23 -0.627 -1.983 -0.851 1.00 0.00 O ATOM 387 CB VAL A 23 0.022 -0.175 1.603 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.475 0.264 2.996 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.789 0.662 0.579 1.00 0.00 C ATOM 0 H VAL A 23 1.581 -1.895 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 23 0.023 -2.186 2.335 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.048 0.002 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.342 1.341 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.121 -0.249 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.527 0.014 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.640 1.721 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.851 0.426 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.423 0.437 -0.423 1.00 0.00 H new ATOM 399 N ILE A 24 -1.932 -2.783 0.808 1.00 0.00 N ATOM 400 CA ILE A 24 -3.015 -3.211 -0.062 1.00 0.00 C ATOM 401 C ILE A 24 -4.197 -2.268 0.108 1.00 0.00 C ATOM 402 O ILE A 24 -5.021 -2.441 1.002 1.00 0.00 O ATOM 403 CB ILE A 24 -3.370 -4.685 0.157 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.691 -5.074 1.601 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.190 -5.527 -0.290 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.044 -5.783 1.706 1.00 0.00 C ATOM 0 H ILE A 24 -2.085 -2.993 1.794 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.694 -3.152 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.279 -4.859 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.907 -5.726 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.698 -4.181 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.420 -6.582 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.990 -5.342 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.311 -5.262 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.238 -6.044 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.831 -5.121 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.028 -6.690 1.101 1.00 0.00 H new ATOM 418 N LEU A 25 -4.273 -1.235 -0.727 1.00 0.00 N ATOM 419 CA LEU A 25 -5.388 -0.312 -0.643 1.00 0.00 C ATOM 420 C LEU A 25 -6.550 -0.934 -1.426 1.00 0.00 C ATOM 421 O LEU A 25 -6.419 -1.256 -2.608 1.00 0.00 O ATOM 422 CB LEU A 25 -5.005 1.113 -1.072 1.00 0.00 C ATOM 423 CG LEU A 25 -3.663 1.576 -0.476 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.351 2.992 -0.933 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.662 1.608 1.049 1.00 0.00 C ATOM 0 H LEU A 25 -3.589 -1.023 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.705 -0.172 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.949 1.157 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.791 1.803 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.924 0.853 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.400 3.311 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.287 3.018 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.142 3.664 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.688 1.943 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.432 2.296 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.866 0.609 1.434 1.00 0.00 H new ATOM 437 N HIS A 26 -7.666 -1.159 -0.731 1.00 0.00 N ATOM 438 CA HIS A 26 -8.896 -1.777 -1.186 1.00 0.00 C ATOM 439 C HIS A 26 -8.632 -3.187 -1.709 1.00 0.00 C ATOM 440 O HIS A 26 -8.819 -4.164 -0.991 1.00 0.00 O ATOM 441 CB HIS A 26 -9.613 -0.882 -2.209 1.00 0.00 C ATOM 442 CG HIS A 26 -10.066 0.440 -1.648 1.00 0.00 C ATOM 443 ND1 HIS A 26 -9.324 1.588 -1.605 1.00 0.00 N flip ATOM 444 CD2 HIS A 26 -11.311 0.726 -1.129 1.00 0.00 C flip ATOM 445 CE1 HIS A 26 -10.117 2.583 -1.041 1.00 0.00 C flip ATOM 446 NE2 HIS A 26 -11.309 2.023 -0.773 1.00 0.00 N flip ATOM 0 H HIS A 26 -7.730 -0.887 0.250 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.573 -1.881 -0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.944 -0.699 -3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.479 -1.416 -2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.136 0.036 -1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.830 3.607 -0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -12.101 2.513 -0.358 1.00 0.00 H new ATOM 454 N HIS A 27 -8.214 -3.280 -2.970 1.00 0.00 N ATOM 455 CA HIS A 27 -7.970 -4.532 -3.669 1.00 0.00 C ATOM 456 C HIS A 27 -6.828 -4.353 -4.673 1.00 0.00 C ATOM 457 O HIS A 27 -6.822 -4.994 -5.723 1.00 0.00 O ATOM 458 CB HIS A 27 -9.268 -4.999 -4.348 1.00 0.00 C ATOM 459 CG HIS A 27 -10.364 -5.366 -3.377 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.449 -6.541 -2.663 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.412 -4.573 -2.994 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.533 -6.454 -1.872 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.158 -5.277 -2.045 1.00 0.00 N ATOM 0 H HIS A 27 -8.031 -2.459 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.665 -5.304 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.628 -4.208 -5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.048 -5.862 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.625 -3.579 -3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.857 -7.226 -1.190 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.007 -4.961 -1.577 1.00 0.00 H new ATOM 471 N LYS A 28 -5.862 -3.482 -4.366 1.00 0.00 N ATOM 472 CA LYS A 28 -4.693 -3.239 -5.197 1.00 0.00 C ATOM 473 C LYS A 28 -3.469 -3.126 -4.301 1.00 0.00 C ATOM 474 O LYS A 28 -3.568 -2.562 -3.213 1.00 0.00 O ATOM 475 CB LYS A 28 -4.912 -1.980 -6.043 1.00 0.00 C ATOM 476 CG LYS A 28 -5.399 -2.382 -7.440 1.00 0.00 C ATOM 477 CD LYS A 28 -6.274 -1.309 -8.107 1.00 0.00 C ATOM 478 CE LYS A 28 -7.568 -1.954 -8.611 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.394 -0.998 -9.373 1.00 0.00 N ATOM 0 H LYS A 28 -5.877 -2.919 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.532 -4.067 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.644 -1.330 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.984 -1.414 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.536 -2.584 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.966 -3.310 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.503 -0.516 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.737 -0.849 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.326 -2.809 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.139 -2.334 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.262 -1.471 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.645 -0.194 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.858 -0.655 -10.195 1.00 0.00 H new ATOM 493 N VAL A 29 -2.339 -3.691 -4.742 1.00 0.00 N ATOM 494 CA VAL A 29 -1.111 -3.690 -3.966 1.00 0.00 C ATOM 495 C VAL A 29 -0.246 -2.542 -4.472 1.00 0.00 C ATOM 496 O VAL A 29 -0.059 -2.380 -5.682 1.00 0.00 O ATOM 497 CB VAL A 29 -0.377 -5.044 -4.016 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.708 -5.071 -2.925 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.319 -6.237 -3.820 1.00 0.00 C ATOM 0 H VAL A 29 -2.259 -4.158 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.344 -3.542 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 29 0.064 -5.138 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.231 -6.027 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.419 -4.263 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.244 -4.942 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.747 -7.164 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.808 -6.159 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.073 -6.238 -4.607 1.00 0.00 H new ATOM 509 N TYR A 30 0.258 -1.744 -3.532 1.00 0.00 N ATOM 510 CA TYR A 30 1.108 -0.599 -3.788 1.00 0.00 C ATOM 511 C TYR A 30 2.417 -0.801 -3.028 1.00 0.00 C ATOM 512 O TYR A 30 2.395 -1.294 -1.896 1.00 0.00 O ATOM 513 CB TYR A 30 0.376 0.675 -3.352 1.00 0.00 C ATOM 514 CG TYR A 30 -0.966 0.862 -4.028 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.123 0.273 -3.488 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.032 1.517 -5.265 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.355 0.411 -4.149 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.263 1.638 -5.931 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.435 1.156 -5.333 1.00 0.00 C ATOM 520 OH TYR A 30 -4.644 1.387 -5.919 1.00 0.00 O ATOM 0 H TYR A 30 0.075 -1.888 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 30 1.337 -0.498 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.229 0.649 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.006 1.538 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.065 -0.285 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.136 1.929 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.240 -0.057 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.306 2.103 -6.905 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.517 1.921 -6.731 1.00 0.00 H new ATOM 530 N ASP A 31 3.539 -0.438 -3.658 1.00 0.00 N ATOM 531 CA ASP A 31 4.866 -0.464 -3.053 1.00 0.00 C ATOM 532 C ASP A 31 5.265 0.972 -2.773 1.00 0.00 C ATOM 533 O ASP A 31 5.394 1.753 -3.711 1.00 0.00 O ATOM 534 CB ASP A 31 5.903 -1.073 -4.001 1.00 0.00 C ATOM 535 CG ASP A 31 7.298 -0.939 -3.407 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.486 -1.462 -2.288 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.152 -0.276 -4.028 1.00 0.00 O ATOM 0 H ASP A 31 3.545 -0.111 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 31 4.833 -1.069 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.674 -2.124 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.862 -0.572 -4.968 1.00 0.00 H new ATOM 542 N LEU A 32 5.444 1.335 -1.505 1.00 0.00 N ATOM 543 CA LEU A 32 5.771 2.705 -1.136 1.00 0.00 C ATOM 544 C LEU A 32 7.175 2.783 -0.548 1.00 0.00 C ATOM 545 O LEU A 32 7.514 3.735 0.153 1.00 0.00 O ATOM 546 CB LEU A 32 4.720 3.208 -0.157 1.00 0.00 C ATOM 547 CG LEU A 32 3.297 3.155 -0.735 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.411 3.797 0.319 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.112 3.870 -2.084 1.00 0.00 C ATOM 0 H LEU A 32 5.367 0.695 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 32 5.764 3.342 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.761 2.609 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.955 4.234 0.126 1.00 0.00 H new ATOM 0 HG LEU A 32 3.046 2.117 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.377 3.795 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.485 3.234 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.734 4.824 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.075 3.776 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.363 4.925 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.766 3.417 -2.829 1.00 0.00 H new ATOM 561 N THR A 33 8.014 1.800 -0.858 1.00 0.00 N ATOM 562 CA THR A 33 9.355 1.693 -0.323 1.00 0.00 C ATOM 563 C THR A 33 10.175 2.958 -0.595 1.00 0.00 C ATOM 564 O THR A 33 10.753 3.527 0.327 1.00 0.00 O ATOM 565 CB THR A 33 9.960 0.407 -0.885 1.00 0.00 C ATOM 566 OG1 THR A 33 9.129 -0.640 -0.422 1.00 0.00 O ATOM 567 CG2 THR A 33 11.386 0.171 -0.392 1.00 0.00 C ATOM 0 H THR A 33 7.771 1.045 -1.500 1.00 0.00 H new ATOM 0 HA THR A 33 9.349 1.624 0.765 1.00 0.00 H new ATOM 0 HB THR A 33 10.013 0.464 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.388 -0.771 -1.050 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.770 -0.755 -0.820 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.020 1.003 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.387 0.096 0.695 1.00 0.00 H new ATOM 575 N LYS A 34 10.183 3.448 -1.840 1.00 0.00 N ATOM 576 CA LYS A 34 10.863 4.695 -2.188 1.00 0.00 C ATOM 577 C LYS A 34 9.943 5.907 -2.012 1.00 0.00 C ATOM 578 O LYS A 34 10.206 6.957 -2.591 1.00 0.00 O ATOM 579 CB LYS A 34 11.417 4.585 -3.617 1.00 0.00 C ATOM 580 CG LYS A 34 12.511 3.506 -3.673 1.00 0.00 C ATOM 581 CD LYS A 34 13.910 4.046 -4.022 1.00 0.00 C ATOM 582 CE LYS A 34 14.261 3.967 -5.518 1.00 0.00 C ATOM 583 NZ LYS A 34 13.913 5.193 -6.266 1.00 0.00 N ATOM 0 H LYS A 34 9.721 2.993 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 34 11.698 4.853 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.613 4.336 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.825 5.545 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.558 3.002 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.229 2.756 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.977 5.085 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.655 3.487 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.329 3.776 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.740 3.119 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.174 5.076 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.890 5.365 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.430 6.002 -5.866 1.00 0.00 H new ATOM 597 N PHE A 35 8.880 5.771 -1.215 1.00 0.00 N ATOM 598 CA PHE A 35 7.922 6.830 -0.944 1.00 0.00 C ATOM 599 C PHE A 35 7.780 7.075 0.558 1.00 0.00 C ATOM 600 O PHE A 35 7.058 7.979 0.957 1.00 0.00 O ATOM 601 CB PHE A 35 6.599 6.458 -1.613 1.00 0.00 C ATOM 602 CG PHE A 35 5.509 7.505 -1.562 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.700 8.764 -2.157 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.290 7.208 -0.934 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.689 9.737 -2.081 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.247 8.137 -0.951 1.00 0.00 C ATOM 607 CZ PHE A 35 3.462 9.423 -1.473 1.00 0.00 C ATOM 0 H PHE A 35 8.662 4.899 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 35 8.270 7.775 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.798 6.221 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.222 5.548 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.623 8.983 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.158 6.259 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.855 10.723 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.276 7.867 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.685 10.170 -1.407 1.00 0.00 H new ATOM 617 N LEU A 36 8.484 6.316 1.403 1.00 0.00 N ATOM 618 CA LEU A 36 8.395 6.455 2.844 1.00 0.00 C ATOM 619 C LEU A 36 8.644 7.906 3.276 1.00 0.00 C ATOM 620 O LEU A 36 7.776 8.528 3.878 1.00 0.00 O ATOM 621 CB LEU A 36 9.365 5.459 3.499 1.00 0.00 C ATOM 622 CG LEU A 36 8.926 3.987 3.413 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.823 3.113 4.302 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.462 3.797 3.830 1.00 0.00 C ATOM 0 H LEU A 36 9.131 5.589 1.098 1.00 0.00 H new ATOM 0 HA LEU A 36 7.386 6.217 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.343 5.561 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.487 5.727 4.548 1.00 0.00 H new ATOM 0 HG LEU A 36 9.024 3.684 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.502 2.074 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.857 3.196 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.747 3.448 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.196 2.743 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.331 4.131 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.818 4.382 3.174 1.00 0.00 H new ATOM 636 N GLU A 37 9.812 8.462 2.949 1.00 0.00 N ATOM 637 CA GLU A 37 10.117 9.851 3.265 1.00 0.00 C ATOM 638 C GLU A 37 9.364 10.813 2.338 1.00 0.00 C ATOM 639 O GLU A 37 8.792 11.797 2.795 1.00 0.00 O ATOM 640 CB GLU A 37 11.638 10.056 3.201 1.00 0.00 C ATOM 641 CG GLU A 37 12.273 9.866 4.587 1.00 0.00 C ATOM 642 CD GLU A 37 11.915 11.004 5.542 1.00 0.00 C ATOM 643 OE1 GLU A 37 12.030 12.167 5.102 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.537 10.686 6.689 1.00 0.00 O ATOM 0 H GLU A 37 10.561 7.967 2.465 1.00 0.00 H new ATOM 0 HA GLU A 37 9.778 10.077 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.075 9.349 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.859 11.056 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.940 8.919 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.357 9.806 4.484 1.00 0.00 H new ATOM 651 N GLU A 38 9.372 10.532 1.030 1.00 0.00 N ATOM 652 CA GLU A 38 8.729 11.375 0.022 1.00 0.00 C ATOM 653 C GLU A 38 7.260 11.669 0.363 1.00 0.00 C ATOM 654 O GLU A 38 6.778 12.770 0.101 1.00 0.00 O ATOM 655 CB GLU A 38 8.866 10.719 -1.364 1.00 0.00 C ATOM 656 CG GLU A 38 9.890 11.393 -2.290 1.00 0.00 C ATOM 657 CD GLU A 38 9.203 12.262 -3.337 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.625 11.661 -4.270 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.257 13.500 -3.184 1.00 0.00 O ATOM 0 H GLU A 38 9.829 9.707 0.641 1.00 0.00 H new ATOM 0 HA GLU A 38 9.237 12.339 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.148 9.674 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.892 10.727 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.572 12.004 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.492 10.631 -2.785 1.00 0.00 H new ATOM 666 N HIS A 39 6.535 10.694 0.919 1.00 0.00 N ATOM 667 CA HIS A 39 5.140 10.846 1.304 1.00 0.00 C ATOM 668 C HIS A 39 4.928 12.100 2.163 1.00 0.00 C ATOM 669 O HIS A 39 5.402 12.137 3.302 1.00 0.00 O ATOM 670 CB HIS A 39 4.665 9.594 2.045 1.00 0.00 C ATOM 671 CG HIS A 39 3.264 9.704 2.589 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.934 9.754 3.917 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.096 9.663 1.878 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.593 9.723 4.000 1.00 0.00 C ATOM 675 NE2 HIS A 39 1.032 9.626 2.776 1.00 0.00 N ATOM 0 H HIS A 39 6.911 9.766 1.115 1.00 0.00 H new ATOM 0 HA HIS A 39 4.547 10.969 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.716 8.741 1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.349 9.389 2.868 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.586 9.805 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.013 9.660 0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.037 9.770 4.925 1.00 0.00 H new ATOM 683 N PRO A 40 4.189 13.108 1.662 1.00 0.00 N ATOM 684 CA PRO A 40 3.929 14.343 2.381 1.00 0.00 C ATOM 685 C PRO A 40 2.965 14.052 3.531 1.00 0.00 C ATOM 686 O PRO A 40 1.759 14.262 3.438 1.00 0.00 O ATOM 687 CB PRO A 40 3.370 15.330 1.353 1.00 0.00 C ATOM 688 CG PRO A 40 2.776 14.441 0.266 1.00 0.00 C ATOM 689 CD PRO A 40 3.529 13.116 0.366 1.00 0.00 C ATOM 0 HA PRO A 40 4.821 14.775 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.614 15.979 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.152 15.977 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.706 14.297 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.900 14.890 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.844 12.273 0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.257 13.023 -0.440 1.00 0.00 H new ATOM 697 N GLY A 41 3.533 13.526 4.610 1.00 0.00 N ATOM 698 CA GLY A 41 2.818 13.016 5.758 1.00 0.00 C ATOM 699 C GLY A 41 3.770 12.202 6.626 1.00 0.00 C ATOM 700 O GLY A 41 3.649 12.232 7.847 1.00 0.00 O ATOM 0 H GLY A 41 4.545 13.443 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.398 13.840 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.983 12.395 5.434 1.00 0.00 H new ATOM 704 N GLY A 42 4.724 11.489 6.008 1.00 0.00 N ATOM 705 CA GLY A 42 5.694 10.707 6.753 1.00 0.00 C ATOM 706 C GLY A 42 5.849 9.293 6.263 1.00 0.00 C ATOM 707 O GLY A 42 5.075 8.843 5.422 1.00 0.00 O ATOM 0 H GLY A 42 4.836 11.445 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.662 11.206 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.399 10.686 7.802 1.00 0.00 H new ATOM 711 N GLU A 43 6.783 8.587 6.903 1.00 0.00 N ATOM 712 CA GLU A 43 7.039 7.185 6.668 1.00 0.00 C ATOM 713 C GLU A 43 6.256 6.337 7.682 1.00 0.00 C ATOM 714 O GLU A 43 5.659 5.331 7.315 1.00 0.00 O ATOM 715 CB GLU A 43 8.553 6.933 6.857 1.00 0.00 C ATOM 716 CG GLU A 43 8.975 5.455 7.051 1.00 0.00 C ATOM 717 CD GLU A 43 9.068 4.971 8.498 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.272 5.829 9.381 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.964 3.738 8.686 1.00 0.00 O ATOM 0 H GLU A 43 7.391 8.994 7.614 1.00 0.00 H new ATOM 0 HA GLU A 43 6.727 6.912 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.079 7.329 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.891 7.504 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.263 4.822 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.945 5.309 6.577 1.00 0.00 H new ATOM 726 N GLU A 44 6.281 6.704 8.970 1.00 0.00 N ATOM 727 CA GLU A 44 5.793 5.836 10.045 1.00 0.00 C ATOM 728 C GLU A 44 4.323 5.471 9.831 1.00 0.00 C ATOM 729 O GLU A 44 3.965 4.297 9.824 1.00 0.00 O ATOM 730 CB GLU A 44 6.030 6.485 11.418 1.00 0.00 C ATOM 731 CG GLU A 44 6.194 5.427 12.517 1.00 0.00 C ATOM 732 CD GLU A 44 6.568 6.073 13.845 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.673 6.721 14.428 1.00 0.00 O ATOM 734 OE2 GLU A 44 7.744 5.929 14.243 1.00 0.00 O ATOM 0 H GLU A 44 6.637 7.604 9.292 1.00 0.00 H new ATOM 0 HA GLU A 44 6.361 4.906 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.922 7.111 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.193 7.139 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.265 4.867 12.629 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.964 4.712 12.227 1.00 0.00 H new ATOM 741 N VAL A 45 3.483 6.477 9.565 1.00 0.00 N ATOM 742 CA VAL A 45 2.105 6.286 9.140 1.00 0.00 C ATOM 743 C VAL A 45 2.020 5.235 8.024 1.00 0.00 C ATOM 744 O VAL A 45 1.107 4.409 8.018 1.00 0.00 O ATOM 745 CB VAL A 45 1.489 7.642 8.741 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.189 8.494 9.985 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.350 8.461 7.768 1.00 0.00 C ATOM 0 H VAL A 45 3.752 7.458 9.642 1.00 0.00 H new ATOM 0 HA VAL A 45 1.516 5.896 9.970 1.00 0.00 H new ATOM 0 HB VAL A 45 0.567 7.391 8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.755 9.446 9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.485 7.965 10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.114 8.677 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.846 9.400 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.317 8.671 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.499 7.894 6.849 1.00 0.00 H new ATOM 757 N LEU A 46 2.996 5.218 7.111 1.00 0.00 N ATOM 758 CA LEU A 46 3.087 4.201 6.082 1.00 0.00 C ATOM 759 C LEU A 46 3.441 2.828 6.646 1.00 0.00 C ATOM 760 O LEU A 46 2.755 1.836 6.381 1.00 0.00 O ATOM 761 CB LEU A 46 3.893 4.658 4.850 1.00 0.00 C ATOM 762 CG LEU A 46 3.050 5.472 3.850 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.847 4.672 3.338 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.465 6.739 4.440 1.00 0.00 C ATOM 0 H LEU A 46 3.741 5.913 7.072 1.00 0.00 H new ATOM 0 HA LEU A 46 2.085 4.059 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.739 5.261 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.302 3.783 4.345 1.00 0.00 H new ATOM 0 HG LEU A 46 3.755 5.714 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.278 5.281 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.197 3.770 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.210 4.396 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.884 7.260 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.818 6.484 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.272 7.385 4.787 1.00 0.00 H new ATOM 776 N ARG A 47 4.485 2.774 7.460 1.00 0.00 N ATOM 777 CA ARG A 47 5.016 1.538 8.010 1.00 0.00 C ATOM 778 C ARG A 47 4.159 0.948 9.141 1.00 0.00 C ATOM 779 O ARG A 47 4.371 -0.198 9.534 1.00 0.00 O ATOM 780 CB ARG A 47 6.496 1.763 8.364 1.00 0.00 C ATOM 781 CG ARG A 47 7.418 0.769 7.646 1.00 0.00 C ATOM 782 CD ARG A 47 7.592 -0.519 8.450 1.00 0.00 C ATOM 783 NE ARG A 47 8.574 -0.308 9.523 1.00 0.00 N ATOM 784 CZ ARG A 47 8.866 -1.184 10.496 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.071 -2.239 10.712 1.00 0.00 N ATOM 786 NH2 ARG A 47 9.969 -1.006 11.223 1.00 0.00 N ATOM 0 H ARG A 47 4.995 3.604 7.762 1.00 0.00 H new ATOM 0 HA ARG A 47 4.966 0.752 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.782 2.780 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.629 1.667 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.006 0.533 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.392 1.230 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.636 -0.825 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.923 -1.325 7.795 1.00 0.00 H new ATOM 0 HE ARG A 47 9.076 0.580 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.241 -2.378 10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.295 -2.904 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.580 -0.211 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.202 -1.665 11.966 1.00 0.00 H new ATOM 800 N GLU A 48 3.160 1.693 9.614 1.00 0.00 N ATOM 801 CA GLU A 48 2.188 1.253 10.603 1.00 0.00 C ATOM 802 C GLU A 48 1.160 0.302 9.981 1.00 0.00 C ATOM 803 O GLU A 48 0.881 -0.760 10.531 1.00 0.00 O ATOM 804 CB GLU A 48 1.520 2.499 11.209 1.00 0.00 C ATOM 805 CG GLU A 48 2.161 2.865 12.554 1.00 0.00 C ATOM 806 CD GLU A 48 1.710 1.922 13.665 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.479 1.853 13.874 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.596 1.289 14.277 1.00 0.00 O ATOM 0 H GLU A 48 3.004 2.653 9.305 1.00 0.00 H new ATOM 0 HA GLU A 48 2.687 0.691 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.611 3.337 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.455 2.314 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.247 2.828 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.898 3.890 12.816 1.00 0.00 H new ATOM 815 N GLN A 49 0.584 0.688 8.839 1.00 0.00 N ATOM 816 CA GLN A 49 -0.509 -0.050 8.206 1.00 0.00 C ATOM 817 C GLN A 49 -0.012 -0.947 7.067 1.00 0.00 C ATOM 818 O GLN A 49 -0.746 -1.797 6.571 1.00 0.00 O ATOM 819 CB GLN A 49 -1.557 0.938 7.687 1.00 0.00 C ATOM 820 CG GLN A 49 -2.914 0.860 8.405 1.00 0.00 C ATOM 821 CD GLN A 49 -3.619 -0.500 8.358 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.227 -1.399 7.628 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.698 -0.655 9.115 1.00 0.00 N ATOM 0 H GLN A 49 0.865 1.524 8.327 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.956 -0.702 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.165 1.950 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.712 0.759 6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.767 1.135 9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.577 1.607 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.011 0.105 9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.214 -1.535 9.093 1.00 0.00 H new ATOM 832 N ALA A 50 1.222 -0.742 6.605 1.00 0.00 N ATOM 833 CA ALA A 50 1.867 -1.673 5.696 1.00 0.00 C ATOM 834 C ALA A 50 1.609 -3.132 6.077 1.00 0.00 C ATOM 835 O ALA A 50 1.442 -3.458 7.249 1.00 0.00 O ATOM 836 CB ALA A 50 3.363 -1.372 5.640 1.00 0.00 C ATOM 0 H ALA A 50 1.792 0.067 6.851 1.00 0.00 H new ATOM 0 HA ALA A 50 1.433 -1.536 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.849 -2.070 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.516 -0.353 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.793 -1.479 6.636 1.00 0.00 H new ATOM 842 N GLY A 51 1.609 -4.013 5.080 1.00 0.00 N ATOM 843 CA GLY A 51 1.378 -5.436 5.261 1.00 0.00 C ATOM 844 C GLY A 51 0.020 -5.707 5.911 1.00 0.00 C ATOM 845 O GLY A 51 -0.043 -6.380 6.937 1.00 0.00 O ATOM 0 H GLY A 51 1.773 -3.749 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.427 -5.939 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.169 -5.858 5.880 1.00 0.00 H new ATOM 849 N GLY A 52 -1.049 -5.205 5.288 1.00 0.00 N ATOM 850 CA GLY A 52 -2.435 -5.344 5.695 1.00 0.00 C ATOM 851 C GLY A 52 -3.224 -4.295 4.908 1.00 0.00 C ATOM 852 O GLY A 52 -2.615 -3.508 4.169 1.00 0.00 O ATOM 0 H GLY A 52 -0.955 -4.657 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.803 -6.347 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.542 -5.186 6.768 1.00 0.00 H new ATOM 856 N ASP A 53 -4.557 -4.313 5.002 1.00 0.00 N ATOM 857 CA ASP A 53 -5.433 -3.361 4.329 1.00 0.00 C ATOM 858 C ASP A 53 -5.271 -1.972 4.923 1.00 0.00 C ATOM 859 O ASP A 53 -5.939 -1.588 5.881 1.00 0.00 O ATOM 860 CB ASP A 53 -6.894 -3.840 4.304 1.00 0.00 C ATOM 861 CG ASP A 53 -7.437 -4.177 5.680 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.837 -5.089 6.291 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.458 -3.564 6.055 1.00 0.00 O ATOM 0 H ASP A 53 -5.062 -5.003 5.558 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.130 -3.298 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.516 -3.065 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.970 -4.720 3.665 1.00 0.00 H new ATOM 868 N ALA A 54 -4.411 -1.170 4.292 1.00 0.00 N ATOM 869 CA ALA A 54 -4.155 0.166 4.774 1.00 0.00 C ATOM 870 C ALA A 54 -5.274 1.111 4.368 1.00 0.00 C ATOM 871 O ALA A 54 -5.371 2.206 4.919 1.00 0.00 O ATOM 872 CB ALA A 54 -2.781 0.616 4.307 1.00 0.00 C ATOM 0 H ALA A 54 -3.890 -1.430 3.454 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.144 0.175 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.586 1.625 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.023 -0.063 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.747 0.609 3.218 1.00 0.00 H new ATOM 878 N THR A 55 -6.133 0.694 3.431 1.00 0.00 N ATOM 879 CA THR A 55 -7.307 1.451 3.042 1.00 0.00 C ATOM 880 C THR A 55 -8.102 1.928 4.241 1.00 0.00 C ATOM 881 O THR A 55 -8.444 3.103 4.277 1.00 0.00 O ATOM 882 CB THR A 55 -8.185 0.659 2.075 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.691 0.960 0.798 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.664 1.049 2.056 1.00 0.00 C ATOM 0 H THR A 55 -6.024 -0.184 2.924 1.00 0.00 H new ATOM 0 HA THR A 55 -6.952 2.340 2.520 1.00 0.00 H new ATOM 0 HB THR A 55 -8.143 -0.386 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.439 1.157 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.195 0.426 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.092 0.903 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.760 2.096 1.770 1.00 0.00 H new ATOM 892 N GLU A 56 -8.407 1.042 5.196 1.00 0.00 N ATOM 893 CA GLU A 56 -9.242 1.418 6.331 1.00 0.00 C ATOM 894 C GLU A 56 -8.715 2.716 6.969 1.00 0.00 C ATOM 895 O GLU A 56 -9.484 3.620 7.289 1.00 0.00 O ATOM 896 CB GLU A 56 -9.356 0.253 7.338 1.00 0.00 C ATOM 897 CG GLU A 56 -10.823 -0.157 7.576 1.00 0.00 C ATOM 898 CD GLU A 56 -11.074 -0.684 8.987 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.691 0.037 9.933 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.685 -1.769 9.094 1.00 0.00 O ATOM 0 H GLU A 56 -8.090 0.072 5.202 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.255 1.622 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.795 -0.604 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.902 0.545 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.469 0.702 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.102 -0.923 6.853 1.00 0.00 H new ATOM 907 N ASN A 57 -7.387 2.845 7.070 1.00 0.00 N ATOM 908 CA ASN A 57 -6.729 4.020 7.626 1.00 0.00 C ATOM 909 C ASN A 57 -6.617 5.154 6.597 1.00 0.00 C ATOM 910 O ASN A 57 -6.874 6.313 6.913 1.00 0.00 O ATOM 911 CB ASN A 57 -5.344 3.612 8.131 1.00 0.00 C ATOM 912 CG ASN A 57 -4.739 4.590 9.134 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.837 5.900 8.915 1.00 0.00 O flip ATOM 914 ND2 ASN A 57 -4.161 4.160 10.125 1.00 0.00 N flip ATOM 0 H ASN A 57 -6.736 2.123 6.762 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.331 4.402 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.412 2.628 8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.671 3.517 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.094 3.154 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.747 4.808 10.795 1.00 0.00 H new ATOM 921 N PHE A 58 -6.157 4.855 5.381 1.00 0.00 N ATOM 922 CA PHE A 58 -6.024 5.836 4.303 1.00 0.00 C ATOM 923 C PHE A 58 -7.350 6.566 4.023 1.00 0.00 C ATOM 924 O PHE A 58 -7.341 7.758 3.699 1.00 0.00 O ATOM 925 CB PHE A 58 -5.461 5.120 3.063 1.00 0.00 C ATOM 926 CG PHE A 58 -5.641 5.801 1.718 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.910 5.820 1.109 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.537 6.320 1.019 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.102 6.491 -0.108 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.712 6.919 -0.241 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.999 7.019 -0.798 1.00 0.00 C ATOM 0 H PHE A 58 -5.863 3.915 5.114 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.328 6.621 4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.394 4.964 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.923 4.134 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.740 5.315 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.550 6.258 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.097 6.601 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.858 7.302 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.139 7.501 -1.754 1.00 0.00 H new ATOM 941 N GLU A 59 -8.476 5.848 4.116 1.00 0.00 N ATOM 942 CA GLU A 59 -9.820 6.361 3.874 1.00 0.00 C ATOM 943 C GLU A 59 -10.348 7.116 5.089 1.00 0.00 C ATOM 944 O GLU A 59 -11.120 8.057 4.926 1.00 0.00 O ATOM 945 CB GLU A 59 -10.801 5.229 3.528 1.00 0.00 C ATOM 946 CG GLU A 59 -10.687 4.700 2.092 1.00 0.00 C ATOM 947 CD GLU A 59 -11.107 5.682 1.001 1.00 0.00 C ATOM 948 OE1 GLU A 59 -11.475 6.833 1.311 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.031 5.265 -0.172 1.00 0.00 O ATOM 0 H GLU A 59 -8.471 4.860 4.371 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.748 7.042 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.639 4.402 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.818 5.586 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.654 4.403 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.297 3.801 2.004 1.00 0.00 H new ATOM 956 N ASP A 60 -9.929 6.732 6.301 1.00 0.00 N ATOM 957 CA ASP A 60 -10.214 7.526 7.490 1.00 0.00 C ATOM 958 C ASP A 60 -9.750 8.968 7.244 1.00 0.00 C ATOM 959 O ASP A 60 -10.445 9.930 7.560 1.00 0.00 O ATOM 960 CB ASP A 60 -9.529 6.899 8.713 1.00 0.00 C ATOM 961 CG ASP A 60 -10.032 7.478 10.030 1.00 0.00 C ATOM 962 OD1 ASP A 60 -11.249 7.742 10.124 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.185 7.619 10.940 1.00 0.00 O ATOM 0 H ASP A 60 -9.395 5.881 6.478 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.285 7.541 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.698 5.822 8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.452 7.054 8.640 1.00 0.00 H new ATOM 968 N VAL A 61 -8.590 9.101 6.588 1.00 0.00 N ATOM 969 CA VAL A 61 -8.140 10.363 6.013 1.00 0.00 C ATOM 970 C VAL A 61 -8.992 10.792 4.814 1.00 0.00 C ATOM 971 O VAL A 61 -9.493 11.914 4.799 1.00 0.00 O ATOM 972 CB VAL A 61 -6.623 10.340 5.776 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.166 11.514 4.897 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.890 10.405 7.125 1.00 0.00 C ATOM 0 H VAL A 61 -7.939 8.329 6.444 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.304 11.163 6.735 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.382 9.412 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.087 11.462 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.664 11.460 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.422 12.455 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.813 10.389 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.162 11.325 7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.174 9.548 7.735 1.00 0.00 H new ATOM 984 N GLY A 62 -9.148 9.941 3.799 1.00 0.00 N ATOM 985 CA GLY A 62 -9.899 10.324 2.610 1.00 0.00 C ATOM 986 C GLY A 62 -9.041 11.290 1.798 1.00 0.00 C ATOM 987 O GLY A 62 -9.332 12.477 1.678 1.00 0.00 O ATOM 0 H GLY A 62 -8.769 8.994 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.147 9.444 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.841 10.795 2.890 1.00 0.00 H new ATOM 991 N HIS A 63 -7.937 10.746 1.289 1.00 0.00 N ATOM 992 CA HIS A 63 -6.852 11.469 0.647 1.00 0.00 C ATOM 993 C HIS A 63 -7.271 12.369 -0.525 1.00 0.00 C ATOM 994 O HIS A 63 -8.325 12.197 -1.136 1.00 0.00 O ATOM 995 CB HIS A 63 -5.866 10.433 0.117 1.00 0.00 C ATOM 996 CG HIS A 63 -4.843 9.944 1.103 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.044 9.195 2.242 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.500 10.132 0.954 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.824 8.960 2.767 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.848 9.499 2.008 1.00 0.00 N ATOM 0 H HIS A 63 -7.771 9.740 1.317 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.432 12.135 1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.430 9.575 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.344 10.860 -0.739 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.940 8.880 2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.024 10.679 0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.651 8.410 3.680 1.00 0.00 H new ATOM 1008 N SER A 64 -6.359 13.280 -0.888 1.00 0.00 N ATOM 1009 CA SER A 64 -6.439 14.147 -2.047 1.00 0.00 C ATOM 1010 C SER A 64 -6.547 13.371 -3.363 1.00 0.00 C ATOM 1011 O SER A 64 -6.106 12.227 -3.485 1.00 0.00 O ATOM 1012 CB SER A 64 -5.167 14.998 -2.086 1.00 0.00 C ATOM 1013 OG SER A 64 -4.869 15.481 -0.792 1.00 0.00 O ATOM 0 H SER A 64 -5.507 13.432 -0.348 1.00 0.00 H new ATOM 0 HA SER A 64 -7.340 14.753 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.334 14.404 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.299 15.833 -2.773 1.00 0.00 H new ATOM 0 HG SER A 64 -4.053 16.023 -0.825 1.00 0.00 H new ATOM 1019 N THR A 65 -7.049 14.055 -4.387 1.00 0.00 N ATOM 1020 CA THR A 65 -7.175 13.534 -5.738 1.00 0.00 C ATOM 1021 C THR A 65 -5.816 13.130 -6.318 1.00 0.00 C ATOM 1022 O THR A 65 -5.696 12.063 -6.921 1.00 0.00 O ATOM 1023 CB THR A 65 -7.898 14.592 -6.579 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.145 14.837 -5.957 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.108 14.139 -8.025 1.00 0.00 C ATOM 0 H THR A 65 -7.388 15.013 -4.294 1.00 0.00 H new ATOM 0 HA THR A 65 -7.762 12.616 -5.741 1.00 0.00 H new ATOM 0 HB THR A 65 -7.290 15.496 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.638 15.513 -6.467 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.624 14.922 -8.580 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.141 13.942 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.709 13.229 -8.038 1.00 0.00 H new ATOM 1033 N ASP A 66 -4.783 13.953 -6.106 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.430 13.614 -6.530 1.00 0.00 C ATOM 1035 C ASP A 66 -3.045 12.243 -5.997 1.00 0.00 C ATOM 1036 O ASP A 66 -2.519 11.418 -6.734 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.419 14.662 -6.049 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.382 15.854 -6.988 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.766 15.704 -8.064 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.989 16.878 -6.611 1.00 0.00 O ATOM 0 H ASP A 66 -4.864 14.858 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.412 13.598 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.684 14.994 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.428 14.214 -5.986 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.327 11.982 -4.718 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.009 10.704 -4.109 1.00 0.00 C ATOM 1047 C ALA A 67 -3.683 9.555 -4.856 1.00 0.00 C ATOM 1048 O ALA A 67 -3.052 8.525 -5.049 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.410 10.689 -2.640 1.00 0.00 C ATOM 0 H ALA A 67 -3.777 12.647 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.930 10.565 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.162 9.721 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.873 11.474 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.483 10.861 -2.554 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.946 9.703 -5.272 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.629 8.667 -6.047 1.00 0.00 C ATOM 1057 C ARG A 68 -4.862 8.331 -7.330 1.00 0.00 C ATOM 1058 O ARG A 68 -4.533 7.169 -7.565 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.081 9.068 -6.362 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.007 8.809 -5.168 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.539 7.363 -5.191 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.030 6.901 -3.877 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.173 7.281 -3.280 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.947 8.211 -3.844 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.559 6.738 -2.125 1.00 0.00 N ATOM 0 H ARG A 68 -5.513 10.530 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.658 7.768 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.118 10.124 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.435 8.507 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.467 8.988 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.842 9.509 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.347 7.292 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.746 6.697 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.447 6.231 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.672 8.635 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.814 8.498 -3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.984 6.022 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.429 7.038 -1.686 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.572 9.323 -8.171 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.865 9.045 -9.418 1.00 0.00 C ATOM 1081 C GLU A 69 -2.438 8.559 -9.143 1.00 0.00 C ATOM 1082 O GLU A 69 -1.976 7.559 -9.697 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.882 10.285 -10.319 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.257 10.454 -10.984 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.569 9.314 -11.955 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.650 8.940 -12.717 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.708 8.808 -11.891 1.00 0.00 O ATOM 0 H GLU A 69 -4.809 10.303 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.379 8.240 -9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.646 11.172 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.111 10.195 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.029 10.497 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.287 11.404 -11.518 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.736 9.251 -8.251 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.380 8.915 -7.851 1.00 0.00 C ATOM 1096 C LEU A 70 -0.316 7.478 -7.329 1.00 0.00 C ATOM 1097 O LEU A 70 0.602 6.738 -7.670 1.00 0.00 O ATOM 1098 CB LEU A 70 0.101 9.924 -6.805 1.00 0.00 C ATOM 1099 CG LEU A 70 1.574 9.743 -6.424 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.505 10.004 -7.615 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.914 10.697 -5.278 1.00 0.00 C ATOM 0 H LEU A 70 -2.104 10.077 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 70 0.284 8.971 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.047 10.934 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.513 9.830 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 70 1.724 8.710 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.541 9.866 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.271 9.307 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.366 11.026 -7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.961 10.574 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.741 11.725 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.282 10.473 -4.418 1.00 0.00 H new ATOM 1113 N SER A 71 -1.305 7.061 -6.535 1.00 0.00 N ATOM 1114 CA SER A 71 -1.458 5.682 -6.094 1.00 0.00 C ATOM 1115 C SER A 71 -1.297 4.753 -7.292 1.00 0.00 C ATOM 1116 O SER A 71 -0.497 3.824 -7.243 1.00 0.00 O ATOM 1117 CB SER A 71 -2.815 5.481 -5.400 1.00 0.00 C ATOM 1118 OG SER A 71 -2.961 4.185 -4.865 1.00 0.00 O ATOM 0 H SER A 71 -2.029 7.684 -6.178 1.00 0.00 H new ATOM 0 HA SER A 71 -0.686 5.444 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.923 6.215 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.616 5.668 -6.115 1.00 0.00 H new ATOM 0 HG SER A 71 -2.938 3.527 -5.591 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.997 5.026 -8.394 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.864 4.214 -9.592 1.00 0.00 C ATOM 1126 C LYS A 72 -0.410 4.141 -10.071 1.00 0.00 C ATOM 1127 O LYS A 72 0.077 3.066 -10.399 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.812 4.692 -10.700 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.861 3.606 -10.976 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.737 3.901 -12.199 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.137 3.376 -13.514 1.00 0.00 C ATOM 1132 NZ LYS A 72 -2.930 4.117 -13.933 1.00 0.00 N ATOM 0 H LYS A 72 -2.657 5.800 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.160 3.198 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.302 5.619 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.249 4.908 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.355 2.652 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.499 3.497 -10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.719 3.453 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.887 4.978 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.887 2.321 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.888 3.441 -14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.795 4.009 -14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.044 5.125 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.100 3.739 -13.433 1.00 0.00 H new ATOM 1146 N THR A 73 0.305 5.264 -10.089 1.00 0.00 N ATOM 1147 CA THR A 73 1.728 5.290 -10.391 1.00 0.00 C ATOM 1148 C THR A 73 2.564 4.413 -9.437 1.00 0.00 C ATOM 1149 O THR A 73 3.643 3.967 -9.819 1.00 0.00 O ATOM 1150 CB THR A 73 2.171 6.760 -10.458 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.631 7.321 -11.639 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.683 6.937 -10.453 1.00 0.00 C ATOM 0 H THR A 73 -0.091 6.183 -9.893 1.00 0.00 H new ATOM 0 HA THR A 73 1.911 4.831 -11.362 1.00 0.00 H new ATOM 0 HB THR A 73 1.804 7.264 -9.564 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.898 8.262 -11.706 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.925 7.999 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.096 6.513 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.112 6.427 -11.315 1.00 0.00 H new ATOM 1160 N TYR A 74 2.077 4.124 -8.224 1.00 0.00 N ATOM 1161 CA TYR A 74 2.740 3.241 -7.266 1.00 0.00 C ATOM 1162 C TYR A 74 2.169 1.823 -7.306 1.00 0.00 C ATOM 1163 O TYR A 74 2.570 0.973 -6.508 1.00 0.00 O ATOM 1164 CB TYR A 74 2.602 3.826 -5.854 1.00 0.00 C ATOM 1165 CG TYR A 74 3.598 4.925 -5.556 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.935 4.588 -5.292 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.217 6.277 -5.607 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.888 5.594 -5.079 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.183 7.286 -5.448 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.521 6.942 -5.189 1.00 0.00 C ATOM 1171 OH TYR A 74 6.493 7.896 -5.143 1.00 0.00 O ATOM 0 H TYR A 74 1.196 4.505 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 74 3.793 3.174 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.593 4.218 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.726 3.026 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.231 3.550 -5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.182 6.541 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.905 5.330 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.897 8.325 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 74 6.437 8.379 -4.292 1.00 0.00 H new ATOM 1181 N ILE A 75 1.213 1.556 -8.199 1.00 0.00 N ATOM 1182 CA ILE A 75 0.560 0.264 -8.258 1.00 0.00 C ATOM 1183 C ILE A 75 1.561 -0.752 -8.780 1.00 0.00 C ATOM 1184 O ILE A 75 2.115 -0.583 -9.865 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.734 0.361 -9.079 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.812 -0.570 -8.510 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.585 0.088 -10.587 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.189 -0.127 -9.000 1.00 0.00 C ATOM 0 H ILE A 75 0.879 2.227 -8.891 1.00 0.00 H new ATOM 0 HA ILE A 75 0.245 -0.073 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.026 1.407 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.619 -1.597 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.781 -0.554 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.557 0.182 -11.072 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.108 0.809 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.201 -0.921 -10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.951 -0.792 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.382 0.893 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.218 -0.166 -10.089 1.00 0.00 H new ATOM 1200 N ILE A 76 1.820 -1.789 -7.991 1.00 0.00 N ATOM 1201 CA ILE A 76 2.724 -2.839 -8.420 1.00 0.00 C ATOM 1202 C ILE A 76 1.907 -3.957 -9.045 1.00 0.00 C ATOM 1203 O ILE A 76 2.272 -4.448 -10.110 1.00 0.00 O ATOM 1204 CB ILE A 76 3.648 -3.279 -7.275 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.897 -3.862 -6.066 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.481 -2.062 -6.857 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.815 -4.256 -4.909 1.00 0.00 C ATOM 0 H ILE A 76 1.420 -1.921 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 76 3.406 -2.475 -9.188 1.00 0.00 H new ATOM 0 HB ILE A 76 4.280 -4.090 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.172 -3.129 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.333 -4.738 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.150 -2.341 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.069 -1.714 -7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.817 -1.264 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.217 -4.659 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.523 -5.012 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.360 -3.378 -4.562 1.00 0.00 H new ATOM 1219 N GLY A 77 0.803 -4.322 -8.388 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.012 -5.475 -8.704 1.00 0.00 C ATOM 1221 C GLY A 77 -1.307 -5.404 -7.902 1.00 0.00 C ATOM 1222 O GLY A 77 -1.804 -4.311 -7.614 1.00 0.00 O ATOM 0 H GLY A 77 0.447 -3.794 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.231 -5.500 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.527 -6.393 -8.468 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.847 -6.554 -7.499 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.183 -6.617 -6.924 1.00 0.00 C ATOM 1228 C GLU A 78 -3.363 -7.861 -6.060 1.00 0.00 C ATOM 1229 O GLU A 78 -2.501 -8.737 -6.042 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.229 -6.475 -8.040 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.104 -7.554 -9.124 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.530 -7.010 -10.479 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.758 -6.940 -10.706 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -3.616 -6.627 -11.238 1.00 0.00 O ATOM 0 H GLU A 78 -1.375 -7.456 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.329 -5.780 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.226 -6.522 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.129 -5.492 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.074 -7.906 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.722 -8.413 -8.861 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.445 -7.906 -5.280 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.711 -9.054 -4.424 1.00 0.00 C ATOM 1243 C LEU A 79 -4.932 -10.290 -5.293 1.00 0.00 C ATOM 1244 O LEU A 79 -5.616 -10.207 -6.313 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.939 -8.815 -3.532 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.550 -8.310 -2.135 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.098 -6.849 -2.163 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.737 -8.490 -1.183 1.00 0.00 C ATOM 0 H LEU A 79 -5.144 -7.165 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.850 -9.206 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.597 -8.089 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.504 -9.743 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.703 -8.898 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.832 -6.531 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.231 -6.749 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.909 -6.224 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.464 -8.133 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.589 -7.920 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.003 -9.546 -1.128 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.355 -11.424 -4.884 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.432 -12.684 -5.607 1.00 0.00 C ATOM 1262 C HIS A 80 -5.869 -13.007 -6.037 1.00 0.00 C ATOM 1263 O HIS A 80 -6.807 -12.759 -5.271 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.841 -13.796 -4.730 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.243 -14.942 -5.498 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.608 -16.265 -5.406 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.166 -14.869 -6.340 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.798 -16.964 -6.217 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.904 -16.157 -6.808 1.00 0.00 N ATOM 0 H HIS A 80 -3.812 -11.486 -4.023 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.851 -12.604 -6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.073 -13.365 -4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.624 -14.182 -4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.617 -13.975 -6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.858 -18.031 -6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.177 -16.431 -7.469 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.076 -13.573 -7.241 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.414 -13.819 -7.722 1.00 0.00 C ATOM 1279 C PRO A 81 -8.096 -14.891 -6.870 1.00 0.00 C ATOM 1280 O PRO A 81 -9.319 -14.911 -6.806 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.295 -14.192 -9.198 1.00 0.00 C ATOM 1282 CG PRO A 81 -5.850 -14.649 -9.383 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.098 -14.156 -8.147 1.00 0.00 C ATOM 0 HA PRO A 81 -8.050 -12.938 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.995 -14.985 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.523 -13.340 -9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.791 -15.734 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.421 -14.232 -10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.572 -14.980 -7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.346 -13.418 -8.425 1.00 0.00 H new