USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 159:sc= -9.92! (180deg=-14.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 21 SER OG : rot 124:sc= 1.39 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -6.32! C(o=-6.3!,f=-6.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.25! K(o=-4.2!,f=-0.9) USER MOD Single : A 35 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 170:sc= -0.993 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -151:sc= 0.361 USER MOD Single : A 62 GLN : amide:sc= -6.79! K(o=-6.8!,f=-0.8) USER MOD Single : A 64 SER OG : rot 39:sc= 0.705 USER MOD Single : A 67 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.2) USER MOD Single : A 70 SER OG : rot -46:sc= 0.00114 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 5.044 10.249 3.603 1.00 1.21 N ATOM 73 CA GLU A 7 5.088 9.534 2.332 1.00 51.34 C ATOM 74 C GLU A 7 5.223 8.031 2.559 1.00 62.54 C ATOM 75 O GLU A 7 6.239 7.556 3.066 1.00 35.25 O ATOM 76 CB GLU A 7 6.254 10.038 1.479 1.00 51.33 C ATOM 77 CG GLU A 7 7.522 10.302 2.275 1.00 24.42 C ATOM 78 CD GLU A 7 7.716 11.771 2.594 1.00 24.02 C ATOM 79 OE1 GLU A 7 6.916 12.317 3.383 1.00 61.15 O ATOM 80 OE2 GLU A 7 8.665 12.376 2.054 1.00 52.14 O ATOM 0 HA GLU A 7 4.153 9.723 1.805 1.00 51.34 H new ATOM 0 HB2 GLU A 7 6.469 9.304 0.703 1.00 51.33 H new ATOM 0 HB3 GLU A 7 5.954 10.957 0.975 1.00 51.33 H new ATOM 0 HG2 GLU A 7 7.488 9.734 3.205 1.00 24.42 H new ATOM 0 HG3 GLU A 7 8.382 9.940 1.712 1.00 24.42 H new ATOM 85 N VAL A 8 4.187 7.287 2.181 1.00 60.12 N ATOM 86 CA VAL A 8 4.188 5.838 2.342 1.00 13.21 C ATOM 87 C VAL A 8 4.734 5.147 1.098 1.00 21.21 C ATOM 88 O VAL A 8 4.292 5.417 -0.020 1.00 31.13 O ATOM 89 CB VAL A 8 2.773 5.305 2.634 1.00 35.55 C ATOM 90 CG1 VAL A 8 1.798 5.759 1.557 1.00 54.42 C ATOM 91 CG2 VAL A 8 2.788 3.787 2.744 1.00 3.50 C ATOM 0 H VAL A 8 3.337 7.664 1.762 1.00 60.12 H new ATOM 0 HA VAL A 8 4.834 5.614 3.191 1.00 13.21 H new ATOM 0 HB VAL A 8 2.440 5.713 3.588 1.00 35.55 H new ATOM 0 HG11 VAL A 8 0.803 5.373 1.780 1.00 54.42 H new ATOM 0 HG12 VAL A 8 1.767 6.848 1.530 1.00 54.42 H new ATOM 0 HG13 VAL A 8 2.125 5.382 0.588 1.00 54.42 H new ATOM 0 HG21 VAL A 8 1.780 3.427 2.951 1.00 3.50 H new ATOM 0 HG22 VAL A 8 3.142 3.358 1.807 1.00 3.50 H new ATOM 0 HG23 VAL A 8 3.453 3.487 3.554 1.00 3.50 H new ATOM 101 N THR A 9 5.697 4.253 1.298 1.00 32.22 N ATOM 102 CA THR A 9 6.303 3.523 0.192 1.00 33.13 C ATOM 103 C THR A 9 6.252 2.019 0.432 1.00 30.54 C ATOM 104 O THR A 9 6.347 1.558 1.569 1.00 43.11 O ATOM 105 CB THR A 9 7.768 3.946 -0.025 1.00 51.34 C ATOM 106 OG1 THR A 9 8.582 3.463 1.050 1.00 52.01 O ATOM 107 CG2 THR A 9 7.886 5.461 -0.116 1.00 60.04 C ATOM 0 H THR A 9 6.074 4.017 2.216 1.00 32.22 H new ATOM 0 HA THR A 9 5.726 3.766 -0.700 1.00 33.13 H new ATOM 0 HB THR A 9 8.113 3.513 -0.964 1.00 51.34 H new ATOM 0 HG1 THR A 9 9.512 3.735 0.904 1.00 52.01 H new ATOM 0 HG21 THR A 9 8.930 5.736 -0.269 1.00 60.04 H new ATOM 0 HG22 THR A 9 7.289 5.823 -0.953 1.00 60.04 H new ATOM 0 HG23 THR A 9 7.524 5.910 0.809 1.00 60.04 H new ATOM 115 N MET A 10 6.101 1.257 -0.647 1.00 32.44 N ATOM 116 CA MET A 10 6.039 -0.197 -0.553 1.00 31.24 C ATOM 117 C MET A 10 7.226 -0.840 -1.264 1.00 52.55 C ATOM 118 O MET A 10 7.324 -0.802 -2.490 1.00 63.23 O ATOM 119 CB MET A 10 4.730 -0.713 -1.154 1.00 33.42 C ATOM 120 CG MET A 10 3.501 0.044 -0.676 1.00 75.51 C ATOM 121 SD MET A 10 2.132 -0.045 -1.846 1.00 41.22 S ATOM 122 CE MET A 10 2.615 -1.464 -2.825 1.00 34.12 C ATOM 0 H MET A 10 6.019 1.622 -1.596 1.00 32.44 H new ATOM 0 HA MET A 10 6.079 -0.469 0.502 1.00 31.24 H new ATOM 0 HB2 MET A 10 4.788 -0.647 -2.240 1.00 33.42 H new ATOM 0 HB3 MET A 10 4.616 -1.768 -0.905 1.00 33.42 H new ATOM 0 HG2 MET A 10 3.180 -0.361 0.284 1.00 75.51 H new ATOM 0 HG3 MET A 10 3.764 1.089 -0.510 1.00 75.51 H new ATOM 0 HE1 MET A 10 1.739 -1.876 -3.326 1.00 34.12 H new ATOM 0 HE2 MET A 10 3.349 -1.159 -3.570 1.00 34.12 H new ATOM 0 HE3 MET A 10 3.051 -2.223 -2.175 1.00 34.12 H new ATOM 130 N LYS A 11 8.128 -1.429 -0.485 1.00 40.51 N ATOM 131 CA LYS A 11 9.309 -2.080 -1.038 1.00 3.14 C ATOM 132 C LYS A 11 9.034 -3.553 -1.325 1.00 52.44 C ATOM 133 O LYS A 11 8.497 -4.270 -0.480 1.00 24.34 O ATOM 134 CB LYS A 11 10.489 -1.948 -0.072 1.00 34.25 C ATOM 135 CG LYS A 11 11.735 -1.359 -0.712 1.00 73.44 C ATOM 136 CD LYS A 11 13.000 -1.890 -0.058 1.00 51.03 C ATOM 137 CE LYS A 11 14.196 -1.783 -0.992 1.00 71.15 C ATOM 138 NZ LYS A 11 14.789 -3.117 -1.289 1.00 3.31 N ATOM 0 H LYS A 11 8.063 -1.468 0.532 1.00 40.51 H new ATOM 0 HA LYS A 11 9.560 -1.586 -1.977 1.00 3.14 H new ATOM 0 HB2 LYS A 11 10.191 -1.321 0.769 1.00 34.25 H new ATOM 0 HB3 LYS A 11 10.729 -2.931 0.333 1.00 34.25 H new ATOM 0 HG2 LYS A 11 11.746 -1.597 -1.776 1.00 73.44 H new ATOM 0 HG3 LYS A 11 11.709 -0.272 -0.629 1.00 73.44 H new ATOM 0 HD2 LYS A 11 13.200 -1.332 0.857 1.00 51.03 H new ATOM 0 HD3 LYS A 11 12.853 -2.931 0.229 1.00 51.03 H new ATOM 0 HE2 LYS A 11 13.888 -1.307 -1.923 1.00 71.15 H new ATOM 0 HE3 LYS A 11 14.953 -1.141 -0.541 1.00 71.15 H new ATOM 0 HZ1 LYS A 11 15.601 -3.001 -1.928 1.00 3.31 H new ATOM 0 HZ2 LYS A 11 15.106 -3.561 -0.404 1.00 3.31 H new ATOM 0 HZ3 LYS A 11 14.074 -3.721 -1.743 1.00 3.31 H new ATOM 148 N LYS A 12 9.407 -3.998 -2.519 1.00 31.24 N ATOM 149 CA LYS A 12 9.203 -5.386 -2.916 1.00 74.24 C ATOM 150 C LYS A 12 9.667 -6.340 -1.819 1.00 11.55 C ATOM 151 O LYS A 12 10.812 -6.278 -1.372 1.00 30.30 O ATOM 152 CB LYS A 12 9.957 -5.683 -4.215 1.00 62.03 C ATOM 153 CG LYS A 12 9.265 -6.704 -5.100 1.00 62.33 C ATOM 154 CD LYS A 12 9.337 -6.312 -6.566 1.00 23.25 C ATOM 155 CE LYS A 12 10.776 -6.206 -7.044 1.00 12.03 C ATOM 156 NZ LYS A 12 10.856 -5.881 -8.496 1.00 71.13 N ATOM 0 H LYS A 12 9.853 -3.417 -3.230 1.00 31.24 H new ATOM 0 HA LYS A 12 8.136 -5.537 -3.079 1.00 74.24 H new ATOM 0 HB2 LYS A 12 10.081 -4.755 -4.774 1.00 62.03 H new ATOM 0 HB3 LYS A 12 10.956 -6.044 -3.971 1.00 62.03 H new ATOM 0 HG2 LYS A 12 9.728 -7.681 -4.961 1.00 62.33 H new ATOM 0 HG3 LYS A 12 8.222 -6.800 -4.799 1.00 62.33 H new ATOM 0 HD2 LYS A 12 8.806 -7.050 -7.168 1.00 23.25 H new ATOM 0 HD3 LYS A 12 8.832 -5.357 -6.714 1.00 23.25 H new ATOM 0 HE2 LYS A 12 11.293 -5.437 -6.471 1.00 12.03 H new ATOM 0 HE3 LYS A 12 11.292 -7.147 -6.853 1.00 12.03 H new ATOM 0 HZ1 LYS A 12 11.854 -5.817 -8.783 1.00 71.13 H new ATOM 0 HZ2 LYS A 12 10.385 -6.628 -9.045 1.00 71.13 H new ATOM 0 HZ3 LYS A 12 10.386 -4.971 -8.674 1.00 71.13 H new ATOM 166 N GLY A 13 8.769 -7.223 -1.390 1.00 11.34 N ATOM 167 CA GLY A 13 9.106 -8.177 -0.350 1.00 14.31 C ATOM 168 C GLY A 13 9.022 -7.574 1.039 1.00 73.22 C ATOM 169 O GLY A 13 9.874 -7.835 1.888 1.00 51.31 O ATOM 0 H GLY A 13 7.815 -7.294 -1.744 1.00 11.34 H new ATOM 0 HA2 GLY A 13 8.433 -9.032 -0.413 1.00 14.31 H new ATOM 0 HA3 GLY A 13 10.115 -8.553 -0.519 1.00 14.31 H new ATOM 173 N ASP A 14 7.994 -6.766 1.270 1.00 51.50 N ATOM 174 CA ASP A 14 7.803 -6.124 2.566 1.00 5.13 C ATOM 175 C ASP A 14 6.351 -6.236 3.018 1.00 24.50 C ATOM 176 O ASP A 14 5.434 -6.257 2.197 1.00 25.05 O ATOM 177 CB ASP A 14 8.215 -4.653 2.495 1.00 61.20 C ATOM 178 CG ASP A 14 8.879 -4.176 3.773 1.00 24.03 C ATOM 179 OD1 ASP A 14 8.499 -4.667 4.856 1.00 3.31 O ATOM 180 OD2 ASP A 14 9.777 -3.313 3.688 1.00 72.14 O ATOM 0 H ASP A 14 7.280 -6.540 0.578 1.00 51.50 H new ATOM 0 HA ASP A 14 8.433 -6.635 3.294 1.00 5.13 H new ATOM 0 HB2 ASP A 14 8.899 -4.510 1.658 1.00 61.20 H new ATOM 0 HB3 ASP A 14 7.335 -4.041 2.296 1.00 61.20 H new ATOM 184 N ILE A 15 6.149 -6.311 4.330 1.00 33.22 N ATOM 185 CA ILE A 15 4.809 -6.422 4.891 1.00 22.33 C ATOM 186 C ILE A 15 4.291 -5.064 5.350 1.00 65.12 C ATOM 187 O ILE A 15 5.026 -4.276 5.948 1.00 32.24 O ATOM 188 CB ILE A 15 4.776 -7.400 6.081 1.00 20.34 C ATOM 189 CG1 ILE A 15 5.486 -8.705 5.715 1.00 75.42 C ATOM 190 CG2 ILE A 15 3.339 -7.674 6.501 1.00 42.43 C ATOM 191 CD1 ILE A 15 5.849 -9.551 6.916 1.00 14.21 C ATOM 0 H ILE A 15 6.897 -6.297 5.024 1.00 33.22 H new ATOM 0 HA ILE A 15 4.166 -6.805 4.098 1.00 22.33 H new ATOM 0 HB ILE A 15 5.300 -6.945 6.922 1.00 20.34 H new ATOM 0 HG12 ILE A 15 4.844 -9.285 5.052 1.00 75.42 H new ATOM 0 HG13 ILE A 15 6.393 -8.472 5.157 1.00 75.42 H new ATOM 0 HG21 ILE A 15 3.332 -8.367 7.343 1.00 42.43 H new ATOM 0 HG22 ILE A 15 2.862 -6.740 6.796 1.00 42.43 H new ATOM 0 HG23 ILE A 15 2.793 -8.112 5.666 1.00 42.43 H new ATOM 0 HD11 ILE A 15 6.349 -10.460 6.583 1.00 14.21 H new ATOM 0 HD12 ILE A 15 6.516 -8.988 7.569 1.00 14.21 H new ATOM 0 HD13 ILE A 15 4.943 -9.814 7.463 1.00 14.21 H new ATOM 202 N LEU A 16 3.020 -4.795 5.070 1.00 14.33 N ATOM 203 CA LEU A 16 2.402 -3.532 5.456 1.00 0.31 C ATOM 204 C LEU A 16 0.974 -3.750 5.942 1.00 62.35 C ATOM 205 O LEU A 16 0.141 -4.308 5.227 1.00 61.01 O ATOM 206 CB LEU A 16 2.408 -2.558 4.277 1.00 1.53 C ATOM 207 CG LEU A 16 3.530 -2.745 3.255 1.00 54.43 C ATOM 208 CD1 LEU A 16 3.019 -3.488 2.030 1.00 42.43 C ATOM 209 CD2 LEU A 16 4.122 -1.400 2.858 1.00 63.41 C ATOM 0 H LEU A 16 2.398 -5.435 4.577 1.00 14.33 H new ATOM 0 HA LEU A 16 2.983 -3.107 6.274 1.00 0.31 H new ATOM 0 HB2 LEU A 16 1.453 -2.642 3.758 1.00 1.53 H new ATOM 0 HB3 LEU A 16 2.468 -1.543 4.671 1.00 1.53 H new ATOM 0 HG LEU A 16 4.317 -3.343 3.715 1.00 54.43 H new ATOM 0 HD11 LEU A 16 3.832 -3.611 1.314 1.00 42.43 H new ATOM 0 HD12 LEU A 16 2.646 -4.468 2.328 1.00 42.43 H new ATOM 0 HD13 LEU A 16 2.213 -2.918 1.569 1.00 42.43 H new ATOM 0 HD21 LEU A 16 4.919 -1.554 2.130 1.00 63.41 H new ATOM 0 HD22 LEU A 16 3.344 -0.776 2.418 1.00 63.41 H new ATOM 0 HD23 LEU A 16 4.528 -0.906 3.741 1.00 63.41 H new ATOM 220 N THR A 17 0.695 -3.305 7.164 1.00 21.43 N ATOM 221 CA THR A 17 -0.633 -3.451 7.746 1.00 22.20 C ATOM 222 C THR A 17 -1.720 -3.156 6.718 1.00 71.45 C ATOM 223 O THR A 17 -1.820 -2.041 6.207 1.00 12.42 O ATOM 224 CB THR A 17 -0.821 -2.518 8.957 1.00 70.32 C ATOM 225 OG1 THR A 17 0.116 -2.855 9.985 1.00 60.45 O ATOM 226 CG2 THR A 17 -2.238 -2.618 9.502 1.00 40.21 C ATOM 0 H THR A 17 1.372 -2.840 7.769 1.00 21.43 H new ATOM 0 HA THR A 17 -0.721 -4.486 8.077 1.00 22.20 H new ATOM 0 HB THR A 17 -0.646 -1.493 8.629 1.00 70.32 H new ATOM 0 HG1 THR A 17 -0.009 -2.256 10.751 1.00 60.45 H new ATOM 0 HG21 THR A 17 -2.347 -1.950 10.357 1.00 40.21 H new ATOM 0 HG22 THR A 17 -2.948 -2.332 8.725 1.00 40.21 H new ATOM 0 HG23 THR A 17 -2.436 -3.643 9.815 1.00 40.21 H new ATOM 234 N LEU A 18 -2.533 -4.164 6.419 1.00 21.22 N ATOM 235 CA LEU A 18 -3.614 -4.012 5.452 1.00 32.53 C ATOM 236 C LEU A 18 -4.611 -2.953 5.910 1.00 14.01 C ATOM 237 O LEU A 18 -5.709 -3.274 6.366 1.00 65.32 O ATOM 238 CB LEU A 18 -4.331 -5.347 5.245 1.00 72.44 C ATOM 239 CG LEU A 18 -4.907 -5.592 3.850 1.00 63.14 C ATOM 240 CD1 LEU A 18 -6.265 -6.271 3.944 1.00 45.03 C ATOM 241 CD2 LEU A 18 -5.016 -4.283 3.082 1.00 15.02 C ATOM 0 H LEU A 18 -2.464 -5.094 6.832 1.00 21.22 H new ATOM 0 HA LEU A 18 -3.178 -3.689 4.506 1.00 32.53 H new ATOM 0 HB2 LEU A 18 -3.632 -6.151 5.473 1.00 72.44 H new ATOM 0 HB3 LEU A 18 -5.143 -5.416 5.969 1.00 72.44 H new ATOM 0 HG LEU A 18 -4.230 -6.253 3.309 1.00 63.14 H new ATOM 0 HD11 LEU A 18 -6.659 -6.437 2.941 1.00 45.03 H new ATOM 0 HD12 LEU A 18 -6.159 -7.228 4.455 1.00 45.03 H new ATOM 0 HD13 LEU A 18 -6.952 -5.635 4.503 1.00 45.03 H new ATOM 0 HD21 LEU A 18 -5.428 -4.476 2.091 1.00 15.02 H new ATOM 0 HD22 LEU A 18 -5.671 -3.599 3.621 1.00 15.02 H new ATOM 0 HD23 LEU A 18 -4.027 -3.836 2.983 1.00 15.02 H new ATOM 252 N LEU A 19 -4.222 -1.689 5.785 1.00 33.10 N ATOM 253 CA LEU A 19 -5.082 -0.581 6.184 1.00 3.23 C ATOM 254 C LEU A 19 -6.382 -0.585 5.386 1.00 4.10 C ATOM 255 O LEU A 19 -6.619 -1.477 4.572 1.00 10.30 O ATOM 256 CB LEU A 19 -4.356 0.751 5.989 1.00 34.25 C ATOM 257 CG LEU A 19 -3.628 1.306 7.214 1.00 63.14 C ATOM 258 CD1 LEU A 19 -2.766 0.229 7.855 1.00 33.10 C ATOM 259 CD2 LEU A 19 -2.783 2.512 6.832 1.00 54.34 C ATOM 0 H LEU A 19 -3.316 -1.406 5.410 1.00 33.10 H new ATOM 0 HA LEU A 19 -5.324 -0.705 7.239 1.00 3.23 H new ATOM 0 HB2 LEU A 19 -3.631 0.632 5.184 1.00 34.25 H new ATOM 0 HB3 LEU A 19 -5.083 1.492 5.657 1.00 34.25 H new ATOM 0 HG LEU A 19 -4.373 1.627 7.942 1.00 63.14 H new ATOM 0 HD11 LEU A 19 -2.255 0.642 8.725 1.00 33.10 H new ATOM 0 HD12 LEU A 19 -3.396 -0.604 8.165 1.00 33.10 H new ATOM 0 HD13 LEU A 19 -2.028 -0.123 7.134 1.00 33.10 H new ATOM 0 HD21 LEU A 19 -2.272 2.893 7.716 1.00 54.34 H new ATOM 0 HD22 LEU A 19 -2.045 2.218 6.086 1.00 54.34 H new ATOM 0 HD23 LEU A 19 -3.425 3.290 6.420 1.00 54.34 H new ATOM 270 N ASN A 20 -7.221 0.418 5.626 1.00 35.32 N ATOM 271 CA ASN A 20 -8.497 0.530 4.928 1.00 20.35 C ATOM 272 C ASN A 20 -8.333 0.229 3.441 1.00 74.15 C ATOM 273 O ASN A 20 -7.778 1.032 2.692 1.00 33.14 O ATOM 274 CB ASN A 20 -9.081 1.932 5.113 1.00 63.01 C ATOM 275 CG ASN A 20 -10.425 1.909 5.814 1.00 65.42 C ATOM 276 OD1 ASN A 20 -10.505 2.062 7.033 1.00 41.42 O ATOM 277 ND2 ASN A 20 -11.491 1.717 5.046 1.00 32.02 N ATOM 0 H ASN A 20 -7.040 1.164 6.298 1.00 35.32 H new ATOM 0 HA ASN A 20 -9.182 -0.202 5.356 1.00 20.35 H new ATOM 0 HB2 ASN A 20 -8.384 2.540 5.689 1.00 63.01 H new ATOM 0 HB3 ASN A 20 -9.190 2.409 4.139 1.00 63.01 H new ATOM 0 HD21 ASN A 20 -12.422 1.692 5.462 1.00 32.02 H new ATOM 0 HD22 ASN A 20 -11.379 1.595 4.040 1.00 32.02 H new ATOM 283 N SER A 21 -8.818 -0.936 3.021 1.00 43.45 N ATOM 284 CA SER A 21 -8.723 -1.345 1.626 1.00 74.24 C ATOM 285 C SER A 21 -10.023 -1.051 0.883 1.00 31.03 C ATOM 286 O SER A 21 -10.241 -1.535 -0.228 1.00 74.51 O ATOM 287 CB SER A 21 -8.395 -2.837 1.532 1.00 0.21 C ATOM 288 OG SER A 21 -9.478 -3.563 0.978 1.00 30.24 O ATOM 0 H SER A 21 -9.281 -1.613 3.628 1.00 43.45 H new ATOM 0 HA SER A 21 -7.921 -0.773 1.159 1.00 74.24 H new ATOM 0 HB2 SER A 21 -7.506 -2.979 0.918 1.00 0.21 H new ATOM 0 HB3 SER A 21 -8.163 -3.225 2.524 1.00 0.21 H new ATOM 0 HG SER A 21 -9.171 -4.057 0.189 1.00 30.24 H new ATOM 293 N THR A 22 -10.885 -0.254 1.506 1.00 13.41 N ATOM 294 CA THR A 22 -12.164 0.106 0.905 1.00 65.25 C ATOM 295 C THR A 22 -12.023 0.337 -0.594 1.00 53.53 C ATOM 296 O THR A 22 -12.860 -0.101 -1.381 1.00 14.02 O ATOM 297 CB THR A 22 -12.754 1.371 1.557 1.00 21.40 C ATOM 298 OG1 THR A 22 -13.936 1.776 0.856 1.00 53.40 O ATOM 299 CG2 THR A 22 -11.740 2.505 1.550 1.00 22.11 C ATOM 0 H THR A 22 -10.721 0.155 2.426 1.00 13.41 H new ATOM 0 HA THR A 22 -12.841 -0.731 1.077 1.00 65.25 H new ATOM 0 HB THR A 22 -13.007 1.138 2.591 1.00 21.40 H new ATOM 0 HG1 THR A 22 -14.307 2.580 1.277 1.00 53.40 H new ATOM 0 HG21 THR A 22 -12.178 3.388 2.015 1.00 22.11 H new ATOM 0 HG22 THR A 22 -10.853 2.204 2.107 1.00 22.11 H new ATOM 0 HG23 THR A 22 -11.461 2.737 0.522 1.00 22.11 H new ATOM 307 N ASN A 23 -10.956 1.030 -0.982 1.00 3.43 N ATOM 308 CA ASN A 23 -10.705 1.321 -2.389 1.00 34.33 C ATOM 309 C ASN A 23 -10.333 0.050 -3.149 1.00 43.42 C ATOM 310 O ASN A 23 -9.353 -0.618 -2.820 1.00 53.32 O ATOM 311 CB ASN A 23 -9.587 2.356 -2.526 1.00 20.20 C ATOM 312 CG ASN A 23 -10.118 3.740 -2.846 1.00 10.15 C ATOM 313 OD1 ASN A 23 -10.248 4.587 -1.962 1.00 30.11 O ATOM 314 ND2 ASN A 23 -10.426 3.977 -4.116 1.00 65.51 N ATOM 0 H ASN A 23 -10.253 1.400 -0.342 1.00 3.43 H new ATOM 0 HA ASN A 23 -11.621 1.726 -2.820 1.00 34.33 H new ATOM 0 HB2 ASN A 23 -9.015 2.394 -1.599 1.00 20.20 H new ATOM 0 HB3 ASN A 23 -8.900 2.043 -3.312 1.00 20.20 H new ATOM 0 HD21 ASN A 23 -10.786 4.891 -4.391 1.00 65.51 H new ATOM 0 HD22 ASN A 23 -10.302 3.245 -4.816 1.00 65.51 H new ATOM 320 N LYS A 24 -11.121 -0.275 -4.167 1.00 22.32 N ATOM 321 CA LYS A 24 -10.875 -1.463 -4.977 1.00 41.05 C ATOM 322 C LYS A 24 -9.641 -1.279 -5.853 1.00 53.21 C ATOM 323 O LYS A 24 -8.876 -2.218 -6.071 1.00 35.14 O ATOM 324 CB LYS A 24 -12.093 -1.772 -5.849 1.00 32.44 C ATOM 325 CG LYS A 24 -12.778 -3.082 -5.499 1.00 55.15 C ATOM 326 CD LYS A 24 -13.267 -3.806 -6.742 1.00 44.14 C ATOM 327 CE LYS A 24 -14.569 -3.212 -7.255 1.00 21.23 C ATOM 328 NZ LYS A 24 -14.835 -3.596 -8.670 1.00 41.34 N ATOM 0 H LYS A 24 -11.936 0.268 -4.452 1.00 22.32 H new ATOM 0 HA LYS A 24 -10.697 -2.301 -4.303 1.00 41.05 H new ATOM 0 HB2 LYS A 24 -12.813 -0.959 -5.754 1.00 32.44 H new ATOM 0 HB3 LYS A 24 -11.783 -1.802 -6.893 1.00 32.44 H new ATOM 0 HG2 LYS A 24 -12.084 -3.722 -4.954 1.00 55.15 H new ATOM 0 HG3 LYS A 24 -13.621 -2.887 -4.836 1.00 55.15 H new ATOM 0 HD2 LYS A 24 -12.507 -3.748 -7.521 1.00 44.14 H new ATOM 0 HD3 LYS A 24 -13.412 -4.862 -6.516 1.00 44.14 H new ATOM 0 HE2 LYS A 24 -15.394 -3.548 -6.626 1.00 21.23 H new ATOM 0 HE3 LYS A 24 -14.529 -2.126 -7.175 1.00 21.23 H new ATOM 0 HZ1 LYS A 24 -15.731 -3.171 -8.982 1.00 41.34 H new ATOM 0 HZ2 LYS A 24 -14.061 -3.254 -9.274 1.00 41.34 H new ATOM 0 HZ3 LYS A 24 -14.899 -4.632 -8.743 1.00 41.34 H new ATOM 338 N ASP A 25 -9.453 -0.062 -6.352 1.00 11.25 N ATOM 339 CA ASP A 25 -8.310 0.247 -7.204 1.00 14.14 C ATOM 340 C ASP A 25 -7.124 0.723 -6.370 1.00 20.53 C ATOM 341 O ASP A 25 -6.057 1.020 -6.906 1.00 13.42 O ATOM 342 CB ASP A 25 -8.687 1.314 -8.234 1.00 70.24 C ATOM 343 CG ASP A 25 -9.874 0.905 -9.083 1.00 71.42 C ATOM 344 OD1 ASP A 25 -9.664 0.203 -10.095 1.00 63.43 O ATOM 345 OD2 ASP A 25 -11.011 1.287 -8.738 1.00 2.14 O ATOM 0 H ASP A 25 -10.077 0.726 -6.181 1.00 11.25 H new ATOM 0 HA ASP A 25 -8.021 -0.665 -7.727 1.00 14.14 H new ATOM 0 HB2 ASP A 25 -8.917 2.247 -7.719 1.00 70.24 H new ATOM 0 HB3 ASP A 25 -7.831 1.509 -8.881 1.00 70.24 H new ATOM 349 N TRP A 26 -7.320 0.792 -5.059 1.00 1.43 N ATOM 350 CA TRP A 26 -6.267 1.234 -4.151 1.00 71.50 C ATOM 351 C TRP A 26 -6.468 0.648 -2.758 1.00 3.24 C ATOM 352 O TRP A 26 -7.534 0.800 -2.159 1.00 31.02 O ATOM 353 CB TRP A 26 -6.236 2.761 -4.077 1.00 23.43 C ATOM 354 CG TRP A 26 -5.847 3.412 -5.370 1.00 74.23 C ATOM 355 CD1 TRP A 26 -6.634 3.578 -6.474 1.00 22.22 C ATOM 356 CD2 TRP A 26 -4.574 3.979 -5.694 1.00 14.21 C ATOM 357 NE1 TRP A 26 -5.927 4.215 -7.464 1.00 13.12 N ATOM 358 CE2 TRP A 26 -4.661 4.474 -7.010 1.00 75.40 C ATOM 359 CE3 TRP A 26 -3.369 4.121 -5.000 1.00 52.23 C ATOM 360 CZ2 TRP A 26 -3.589 5.096 -7.644 1.00 15.25 C ATOM 361 CZ3 TRP A 26 -2.306 4.740 -5.631 1.00 61.34 C ATOM 362 CH2 TRP A 26 -2.421 5.222 -6.940 1.00 34.34 C ATOM 0 H TRP A 26 -8.198 0.548 -4.600 1.00 1.43 H new ATOM 0 HA TRP A 26 -5.313 0.878 -4.540 1.00 71.50 H new ATOM 0 HB2 TRP A 26 -7.220 3.123 -3.778 1.00 23.43 H new ATOM 0 HB3 TRP A 26 -5.535 3.066 -3.300 1.00 23.43 H new ATOM 0 HD1 TRP A 26 -7.661 3.256 -6.556 1.00 22.22 H new ATOM 0 HE1 TRP A 26 -6.286 4.456 -8.388 1.00 13.12 H new ATOM 0 HE3 TRP A 26 -3.270 3.754 -3.989 1.00 52.23 H new ATOM 0 HZ2 TRP A 26 -3.675 5.466 -8.655 1.00 15.25 H new ATOM 0 HZ3 TRP A 26 -1.370 4.854 -5.104 1.00 61.34 H new ATOM 0 HH2 TRP A 26 -1.572 5.703 -7.404 1.00 34.34 H new ATOM 372 N TRP A 27 -5.441 -0.020 -2.247 1.00 32.03 N ATOM 373 CA TRP A 27 -5.507 -0.628 -0.924 1.00 51.31 C ATOM 374 C TRP A 27 -4.619 0.122 0.064 1.00 45.22 C ATOM 375 O TRP A 27 -3.393 0.041 -0.002 1.00 42.42 O ATOM 376 CB TRP A 27 -5.085 -2.097 -0.992 1.00 23.15 C ATOM 377 CG TRP A 27 -6.242 -3.041 -1.119 1.00 5.34 C ATOM 378 CD1 TRP A 27 -7.534 -2.719 -1.426 1.00 4.41 C ATOM 379 CD2 TRP A 27 -6.213 -4.461 -0.940 1.00 23.45 C ATOM 380 NE1 TRP A 27 -8.309 -3.853 -1.448 1.00 3.22 N ATOM 381 CE2 TRP A 27 -7.523 -4.935 -1.155 1.00 53.51 C ATOM 382 CE3 TRP A 27 -5.208 -5.378 -0.622 1.00 61.32 C ATOM 383 CZ2 TRP A 27 -7.850 -6.285 -1.059 1.00 10.14 C ATOM 384 CZ3 TRP A 27 -5.536 -6.718 -0.527 1.00 54.11 C ATOM 385 CH2 TRP A 27 -6.846 -7.161 -0.746 1.00 42.22 C ATOM 0 H TRP A 27 -4.552 -0.154 -2.729 1.00 32.03 H new ATOM 0 HA TRP A 27 -6.538 -0.569 -0.576 1.00 51.31 H new ATOM 0 HB2 TRP A 27 -4.416 -2.237 -1.841 1.00 23.15 H new ATOM 0 HB3 TRP A 27 -4.518 -2.347 -0.095 1.00 23.15 H new ATOM 0 HD1 TRP A 27 -7.893 -1.720 -1.623 1.00 4.41 H new ATOM 0 HE1 TRP A 27 -9.308 -3.884 -1.650 1.00 3.22 H new ATOM 0 HE3 TRP A 27 -4.194 -5.047 -0.454 1.00 61.32 H new ATOM 0 HZ2 TRP A 27 -8.860 -6.629 -1.226 1.00 10.14 H new ATOM 0 HZ3 TRP A 27 -4.768 -7.436 -0.279 1.00 54.11 H new ATOM 0 HH2 TRP A 27 -7.069 -8.215 -0.666 1.00 42.22 H new ATOM 395 N LYS A 28 -5.247 0.853 0.980 1.00 73.53 N ATOM 396 CA LYS A 28 -4.515 1.616 1.983 1.00 50.03 C ATOM 397 C LYS A 28 -3.630 0.702 2.824 1.00 0.11 C ATOM 398 O LYS A 28 -4.076 -0.340 3.306 1.00 11.41 O ATOM 399 CB LYS A 28 -5.489 2.373 2.889 1.00 0.15 C ATOM 400 CG LYS A 28 -4.895 3.626 3.509 1.00 52.43 C ATOM 401 CD LYS A 28 -5.711 4.100 4.700 1.00 73.12 C ATOM 402 CE LYS A 28 -5.344 5.522 5.098 1.00 34.53 C ATOM 403 NZ LYS A 28 -6.478 6.221 5.763 1.00 73.21 N ATOM 0 H LYS A 28 -6.262 0.932 1.048 1.00 73.53 H new ATOM 0 HA LYS A 28 -3.878 2.332 1.464 1.00 50.03 H new ATOM 0 HB2 LYS A 28 -6.371 2.647 2.311 1.00 0.15 H new ATOM 0 HB3 LYS A 28 -5.824 1.708 3.685 1.00 0.15 H new ATOM 0 HG2 LYS A 28 -3.871 3.426 3.825 1.00 52.43 H new ATOM 0 HG3 LYS A 28 -4.849 4.417 2.760 1.00 52.43 H new ATOM 0 HD2 LYS A 28 -6.773 4.052 4.457 1.00 73.12 H new ATOM 0 HD3 LYS A 28 -5.546 3.431 5.545 1.00 73.12 H new ATOM 0 HE2 LYS A 28 -4.486 5.501 5.770 1.00 34.53 H new ATOM 0 HE3 LYS A 28 -5.042 6.081 4.212 1.00 34.53 H new ATOM 0 HZ1 LYS A 28 -6.189 7.187 6.019 1.00 73.21 H new ATOM 0 HZ2 LYS A 28 -7.289 6.263 5.113 1.00 73.21 H new ATOM 0 HZ3 LYS A 28 -6.750 5.702 6.622 1.00 73.21 H new ATOM 413 N VAL A 29 -2.373 1.099 2.998 1.00 60.43 N ATOM 414 CA VAL A 29 -1.426 0.317 3.783 1.00 30.41 C ATOM 415 C VAL A 29 -0.458 1.221 4.538 1.00 24.34 C ATOM 416 O VAL A 29 0.019 2.219 4.001 1.00 14.11 O ATOM 417 CB VAL A 29 -0.621 -0.649 2.892 1.00 42.11 C ATOM 418 CG1 VAL A 29 -1.553 -1.589 2.144 1.00 63.31 C ATOM 419 CG2 VAL A 29 0.257 0.129 1.922 1.00 65.34 C ATOM 0 H VAL A 29 -1.987 1.958 2.606 1.00 60.43 H new ATOM 0 HA VAL A 29 -2.010 -0.262 4.498 1.00 30.41 H new ATOM 0 HB VAL A 29 0.026 -1.251 3.530 1.00 42.11 H new ATOM 0 HG11 VAL A 29 -0.966 -2.263 1.520 1.00 63.31 H new ATOM 0 HG12 VAL A 29 -2.134 -2.170 2.860 1.00 63.31 H new ATOM 0 HG13 VAL A 29 -2.228 -1.008 1.515 1.00 63.31 H new ATOM 0 HG21 VAL A 29 0.819 -0.568 1.300 1.00 65.34 H new ATOM 0 HG22 VAL A 29 -0.369 0.757 1.288 1.00 65.34 H new ATOM 0 HG23 VAL A 29 0.951 0.756 2.482 1.00 65.34 H new ATOM 429 N GLU A 30 -0.174 0.863 5.787 1.00 13.34 N ATOM 430 CA GLU A 30 0.737 1.644 6.615 1.00 73.51 C ATOM 431 C GLU A 30 2.151 1.073 6.555 1.00 30.13 C ATOM 432 O GLU A 30 2.340 -0.134 6.408 1.00 50.23 O ATOM 433 CB GLU A 30 0.248 1.671 8.064 1.00 65.33 C ATOM 434 CG GLU A 30 1.214 2.349 9.021 1.00 34.43 C ATOM 435 CD GLU A 30 1.770 1.395 10.062 1.00 3.42 C ATOM 436 OE1 GLU A 30 1.909 0.194 9.752 1.00 40.42 O ATOM 437 OE2 GLU A 30 2.064 1.852 11.186 1.00 45.43 O ATOM 0 H GLU A 30 -0.561 0.039 6.246 1.00 13.34 H new ATOM 0 HA GLU A 30 0.758 2.662 6.227 1.00 73.51 H new ATOM 0 HB2 GLU A 30 -0.712 2.186 8.105 1.00 65.33 H new ATOM 0 HB3 GLU A 30 0.076 0.648 8.399 1.00 65.33 H new ATOM 0 HG2 GLU A 30 2.038 2.782 8.454 1.00 34.43 H new ATOM 0 HG3 GLU A 30 0.705 3.172 9.523 1.00 34.43 H new ATOM 442 N VAL A 31 3.143 1.952 6.668 1.00 23.32 N ATOM 443 CA VAL A 31 4.540 1.537 6.627 1.00 52.25 C ATOM 444 C VAL A 31 5.297 2.032 7.855 1.00 64.54 C ATOM 445 O VAL A 31 6.141 2.921 7.759 1.00 10.44 O ATOM 446 CB VAL A 31 5.244 2.057 5.360 1.00 3.01 C ATOM 447 CG1 VAL A 31 6.737 1.781 5.426 1.00 50.23 C ATOM 448 CG2 VAL A 31 4.632 1.430 4.116 1.00 1.42 C ATOM 0 H VAL A 31 3.004 2.955 6.789 1.00 23.32 H new ATOM 0 HA VAL A 31 4.545 0.447 6.615 1.00 52.25 H new ATOM 0 HB VAL A 31 5.101 3.136 5.304 1.00 3.01 H new ATOM 0 HG11 VAL A 31 7.217 2.156 4.522 1.00 50.23 H new ATOM 0 HG12 VAL A 31 7.161 2.282 6.296 1.00 50.23 H new ATOM 0 HG13 VAL A 31 6.905 0.707 5.507 1.00 50.23 H new ATOM 0 HG21 VAL A 31 5.141 1.808 3.230 1.00 1.42 H new ATOM 0 HG22 VAL A 31 4.742 0.347 4.163 1.00 1.42 H new ATOM 0 HG23 VAL A 31 3.574 1.685 4.063 1.00 1.42 H new ATOM 458 N ASN A 32 4.988 1.448 9.008 1.00 43.24 N ATOM 459 CA ASN A 32 5.639 1.830 10.257 1.00 3.02 C ATOM 460 C ASN A 32 5.161 3.203 10.721 1.00 51.21 C ATOM 461 O ASN A 32 4.479 3.324 11.739 1.00 20.51 O ATOM 462 CB ASN A 32 7.158 1.839 10.081 1.00 44.35 C ATOM 463 CG ASN A 32 7.664 0.605 9.361 1.00 41.12 C ATOM 464 OD1 ASN A 32 7.889 -0.438 9.976 1.00 24.12 O ATOM 465 ND2 ASN A 32 7.847 0.718 8.050 1.00 65.11 N ATOM 0 H ASN A 32 4.292 0.709 9.104 1.00 43.24 H new ATOM 0 HA ASN A 32 5.372 1.096 11.017 1.00 3.02 H new ATOM 0 HB2 ASN A 32 7.451 2.728 9.522 1.00 44.35 H new ATOM 0 HB3 ASN A 32 7.634 1.906 11.059 1.00 44.35 H new ATOM 0 HD21 ASN A 32 8.187 -0.079 7.512 1.00 65.11 H new ATOM 0 HD22 ASN A 32 7.648 1.602 7.582 1.00 65.11 H new ATOM 471 N ASP A 33 5.524 4.235 9.967 1.00 4.52 N ATOM 472 CA ASP A 33 5.131 5.601 10.300 1.00 32.42 C ATOM 473 C ASP A 33 4.490 6.289 9.100 1.00 15.34 C ATOM 474 O ASP A 33 3.710 7.228 9.253 1.00 44.01 O ATOM 475 CB ASP A 33 6.344 6.400 10.776 1.00 51.42 C ATOM 476 CG ASP A 33 6.971 5.812 12.025 1.00 3.32 C ATOM 477 OD1 ASP A 33 6.301 5.807 13.079 1.00 20.22 O ATOM 478 OD2 ASP A 33 8.133 5.360 11.950 1.00 21.23 O ATOM 0 H ASP A 33 6.089 4.153 9.122 1.00 4.52 H new ATOM 0 HA ASP A 33 4.397 5.557 11.104 1.00 32.42 H new ATOM 0 HB2 ASP A 33 7.088 6.433 9.980 1.00 51.42 H new ATOM 0 HB3 ASP A 33 6.043 7.429 10.974 1.00 51.42 H new ATOM 482 N ARG A 34 4.828 5.818 7.903 1.00 41.11 N ATOM 483 CA ARG A 34 4.288 6.390 6.676 1.00 23.31 C ATOM 484 C ARG A 34 3.156 5.527 6.125 1.00 53.43 C ATOM 485 O ARG A 34 3.352 4.350 5.826 1.00 3.05 O ATOM 486 CB ARG A 34 5.392 6.533 5.626 1.00 4.31 C ATOM 487 CG ARG A 34 6.756 6.851 6.216 1.00 65.00 C ATOM 488 CD ARG A 34 7.876 6.501 5.249 1.00 43.23 C ATOM 489 NE ARG A 34 8.682 7.667 4.900 1.00 50.45 N ATOM 490 CZ ARG A 34 9.834 7.594 4.243 1.00 10.02 C ATOM 491 NH1 ARG A 34 10.312 6.416 3.865 1.00 12.02 N ATOM 492 NH2 ARG A 34 10.511 8.701 3.962 1.00 61.34 N ATOM 0 H ARG A 34 5.473 5.042 7.758 1.00 41.11 H new ATOM 0 HA ARG A 34 3.888 7.377 6.910 1.00 23.31 H new ATOM 0 HB2 ARG A 34 5.460 5.608 5.054 1.00 4.31 H new ATOM 0 HB3 ARG A 34 5.116 7.321 4.926 1.00 4.31 H new ATOM 0 HG2 ARG A 34 6.807 7.911 6.466 1.00 65.00 H new ATOM 0 HG3 ARG A 34 6.890 6.297 7.145 1.00 65.00 H new ATOM 0 HD2 ARG A 34 8.515 5.739 5.695 1.00 43.23 H new ATOM 0 HD3 ARG A 34 7.451 6.070 4.343 1.00 43.23 H new ATOM 0 HE ARG A 34 8.342 8.588 5.176 1.00 50.45 H new ATOM 0 HH11 ARG A 34 9.795 5.563 4.079 1.00 12.02 H new ATOM 0 HH12 ARG A 34 11.197 6.363 3.361 1.00 12.02 H new ATOM 0 HH21 ARG A 34 10.147 9.609 4.251 1.00 61.34 H new ATOM 0 HH22 ARG A 34 11.396 8.644 3.457 1.00 61.34 H new ATOM 503 N GLN A 35 1.974 6.122 5.997 1.00 31.42 N ATOM 504 CA GLN A 35 0.812 5.407 5.484 1.00 30.43 C ATOM 505 C GLN A 35 0.137 6.195 4.366 1.00 43.04 C ATOM 506 O GLN A 35 0.566 7.296 4.023 1.00 63.21 O ATOM 507 CB GLN A 35 -0.187 5.139 6.611 1.00 20.35 C ATOM 508 CG GLN A 35 0.410 5.288 8.001 1.00 3.43 C ATOM 509 CD GLN A 35 -0.608 5.057 9.101 1.00 34.12 C ATOM 510 OE1 GLN A 35 -1.791 4.845 8.833 1.00 4.52 O ATOM 511 NE2 GLN A 35 -0.152 5.096 10.347 1.00 52.21 N ATOM 0 H GLN A 35 1.796 7.096 6.241 1.00 31.42 H new ATOM 0 HA GLN A 35 1.153 4.455 5.077 1.00 30.43 H new ATOM 0 HB2 GLN A 35 -1.028 5.825 6.510 1.00 20.35 H new ATOM 0 HB3 GLN A 35 -0.584 4.130 6.501 1.00 20.35 H new ATOM 0 HG2 GLN A 35 1.232 4.581 8.117 1.00 3.43 H new ATOM 0 HG3 GLN A 35 0.832 6.287 8.106 1.00 3.43 H new ATOM 0 HE21 GLN A 35 0.837 5.275 10.523 1.00 52.21 H new ATOM 0 HE22 GLN A 35 -0.790 4.947 11.129 1.00 52.21 H new ATOM 518 N GLY A 36 -0.922 5.623 3.801 1.00 0.10 N ATOM 519 CA GLY A 36 -1.639 6.287 2.728 1.00 30.41 C ATOM 520 C GLY A 36 -2.312 5.307 1.788 1.00 65.13 C ATOM 521 O GLY A 36 -2.487 4.135 2.122 1.00 61.41 O ATOM 0 H GLY A 36 -1.296 4.712 4.067 1.00 0.10 H new ATOM 0 HA2 GLY A 36 -2.391 6.952 3.154 1.00 30.41 H new ATOM 0 HA3 GLY A 36 -0.946 6.910 2.163 1.00 30.41 H new ATOM 525 N PHE A 37 -2.694 5.788 0.610 1.00 32.44 N ATOM 526 CA PHE A 37 -3.355 4.946 -0.381 1.00 25.23 C ATOM 527 C PHE A 37 -2.362 4.458 -1.432 1.00 44.32 C ATOM 528 O PHE A 37 -1.534 5.226 -1.923 1.00 64.42 O ATOM 529 CB PHE A 37 -4.493 5.715 -1.057 1.00 72.21 C ATOM 530 CG PHE A 37 -5.702 5.887 -0.183 1.00 11.21 C ATOM 531 CD1 PHE A 37 -5.788 6.949 0.703 1.00 31.24 C ATOM 532 CD2 PHE A 37 -6.754 4.987 -0.248 1.00 53.23 C ATOM 533 CE1 PHE A 37 -6.900 7.110 1.508 1.00 71.22 C ATOM 534 CE2 PHE A 37 -7.869 5.143 0.555 1.00 53.22 C ATOM 535 CZ PHE A 37 -7.941 6.205 1.433 1.00 42.44 C ATOM 0 H PHE A 37 -2.558 6.756 0.318 1.00 32.44 H new ATOM 0 HA PHE A 37 -3.767 4.078 0.134 1.00 25.23 H new ATOM 0 HB2 PHE A 37 -4.129 6.698 -1.357 1.00 72.21 H new ATOM 0 HB3 PHE A 37 -4.784 5.191 -1.967 1.00 72.21 H new ATOM 0 HD1 PHE A 37 -4.977 7.659 0.765 1.00 31.24 H new ATOM 0 HD2 PHE A 37 -6.702 4.154 -0.934 1.00 53.23 H new ATOM 0 HE1 PHE A 37 -6.955 7.942 2.194 1.00 71.22 H new ATOM 0 HE2 PHE A 37 -8.682 4.435 0.495 1.00 53.22 H new ATOM 0 HZ PHE A 37 -8.811 6.329 2.061 1.00 42.44 H new ATOM 544 N VAL A 38 -2.450 3.176 -1.770 1.00 51.11 N ATOM 545 CA VAL A 38 -1.560 2.585 -2.762 1.00 54.13 C ATOM 546 C VAL A 38 -2.309 1.606 -3.659 1.00 72.45 C ATOM 547 O VAL A 38 -3.348 1.058 -3.290 1.00 4.11 O ATOM 548 CB VAL A 38 -0.381 1.852 -2.093 1.00 43.23 C ATOM 549 CG1 VAL A 38 0.695 2.843 -1.676 1.00 54.54 C ATOM 550 CG2 VAL A 38 -0.865 1.045 -0.898 1.00 41.23 C ATOM 0 H VAL A 38 -3.128 2.527 -1.372 1.00 51.11 H new ATOM 0 HA VAL A 38 -1.173 3.405 -3.367 1.00 54.13 H new ATOM 0 HB VAL A 38 0.054 1.162 -2.816 1.00 43.23 H new ATOM 0 HG11 VAL A 38 1.520 2.308 -1.205 1.00 54.54 H new ATOM 0 HG12 VAL A 38 1.061 3.374 -2.555 1.00 54.54 H new ATOM 0 HG13 VAL A 38 0.276 3.559 -0.969 1.00 54.54 H new ATOM 0 HG21 VAL A 38 -0.019 0.534 -0.438 1.00 41.23 H new ATOM 0 HG22 VAL A 38 -1.325 1.713 -0.170 1.00 41.23 H new ATOM 0 HG23 VAL A 38 -1.598 0.309 -1.229 1.00 41.23 H new ATOM 560 N PRO A 39 -1.769 1.377 -4.865 1.00 65.11 N ATOM 561 CA PRO A 39 -2.370 0.461 -5.840 1.00 40.10 C ATOM 562 C PRO A 39 -2.263 -0.997 -5.407 1.00 20.43 C ATOM 563 O PRO A 39 -1.165 -1.527 -5.243 1.00 65.15 O ATOM 564 CB PRO A 39 -1.547 0.705 -7.108 1.00 64.52 C ATOM 565 CG PRO A 39 -0.234 1.207 -6.618 1.00 45.42 C ATOM 566 CD PRO A 39 -0.531 1.994 -5.370 1.00 22.15 C ATOM 0 HA PRO A 39 -3.437 0.642 -5.967 1.00 40.10 H new ATOM 0 HB2 PRO A 39 -1.429 -0.212 -7.686 1.00 64.52 H new ATOM 0 HB3 PRO A 39 -2.031 1.433 -7.760 1.00 64.52 H new ATOM 0 HG2 PRO A 39 0.445 0.381 -6.406 1.00 45.42 H new ATOM 0 HG3 PRO A 39 0.249 1.833 -7.368 1.00 45.42 H new ATOM 0 HD2 PRO A 39 0.280 1.920 -4.645 1.00 22.15 H new ATOM 0 HD3 PRO A 39 -0.669 3.053 -5.586 1.00 22.15 H new ATOM 571 N ALA A 40 -3.412 -1.642 -5.227 1.00 41.32 N ATOM 572 CA ALA A 40 -3.447 -3.039 -4.816 1.00 71.42 C ATOM 573 C ALA A 40 -2.621 -3.909 -5.757 1.00 12.10 C ATOM 574 O ALA A 40 -2.183 -4.998 -5.387 1.00 70.40 O ATOM 575 CB ALA A 40 -4.884 -3.536 -4.759 1.00 73.22 C ATOM 0 H ALA A 40 -4.330 -1.218 -5.360 1.00 41.32 H new ATOM 0 HA ALA A 40 -3.010 -3.110 -3.820 1.00 71.42 H new ATOM 0 HB1 ALA A 40 -4.895 -4.581 -4.451 1.00 73.22 H new ATOM 0 HB2 ALA A 40 -5.447 -2.940 -4.041 1.00 73.22 H new ATOM 0 HB3 ALA A 40 -5.340 -3.444 -5.745 1.00 73.22 H new ATOM 581 N ALA A 41 -2.411 -3.421 -6.975 1.00 70.42 N ATOM 582 CA ALA A 41 -1.635 -4.154 -7.968 1.00 3.15 C ATOM 583 C ALA A 41 -0.180 -4.293 -7.535 1.00 52.14 C ATOM 584 O ALA A 41 0.530 -5.190 -7.991 1.00 41.45 O ATOM 585 CB ALA A 41 -1.722 -3.461 -9.321 1.00 72.43 C ATOM 0 H ALA A 41 -2.767 -2.521 -7.298 1.00 70.42 H new ATOM 0 HA ALA A 41 -2.057 -5.155 -8.056 1.00 3.15 H new ATOM 0 HB1 ALA A 41 -1.138 -4.018 -10.054 1.00 72.43 H new ATOM 0 HB2 ALA A 41 -2.763 -3.419 -9.642 1.00 72.43 H new ATOM 0 HB3 ALA A 41 -1.327 -2.448 -9.237 1.00 72.43 H new ATOM 591 N TYR A 42 0.258 -3.400 -6.654 1.00 31.31 N ATOM 592 CA TYR A 42 1.631 -3.422 -6.162 1.00 32.54 C ATOM 593 C TYR A 42 1.729 -4.204 -4.857 1.00 71.33 C ATOM 594 O TYR A 42 2.822 -4.463 -4.355 1.00 55.35 O ATOM 595 CB TYR A 42 2.143 -1.996 -5.954 1.00 23.12 C ATOM 596 CG TYR A 42 2.418 -1.258 -7.245 1.00 14.21 C ATOM 597 CD1 TYR A 42 1.467 -1.209 -8.257 1.00 13.33 C ATOM 598 CD2 TYR A 42 3.630 -0.610 -7.453 1.00 73.21 C ATOM 599 CE1 TYR A 42 1.715 -0.536 -9.439 1.00 44.25 C ATOM 600 CE2 TYR A 42 3.885 0.066 -8.630 1.00 53.11 C ATOM 601 CZ TYR A 42 2.926 0.100 -9.620 1.00 65.14 C ATOM 602 OH TYR A 42 3.177 0.772 -10.794 1.00 41.23 O ATOM 0 H TYR A 42 -0.317 -2.652 -6.266 1.00 31.31 H new ATOM 0 HA TYR A 42 2.250 -3.918 -6.909 1.00 32.54 H new ATOM 0 HB2 TYR A 42 1.409 -1.436 -5.374 1.00 23.12 H new ATOM 0 HB3 TYR A 42 3.058 -2.030 -5.362 1.00 23.12 H new ATOM 0 HD1 TYR A 42 0.518 -1.705 -8.118 1.00 13.33 H new ATOM 0 HD2 TYR A 42 4.385 -0.636 -6.681 1.00 73.21 H new ATOM 0 HE1 TYR A 42 0.965 -0.508 -10.216 1.00 44.25 H new ATOM 0 HE2 TYR A 42 4.831 0.566 -8.774 1.00 53.11 H new ATOM 0 HH TYR A 42 4.074 1.165 -10.761 1.00 41.23 H new ATOM 611 N VAL A 43 0.576 -4.580 -4.311 1.00 32.53 N ATOM 612 CA VAL A 43 0.530 -5.335 -3.065 1.00 62.33 C ATOM 613 C VAL A 43 -0.363 -6.564 -3.199 1.00 73.51 C ATOM 614 O VAL A 43 -0.972 -6.792 -4.245 1.00 42.53 O ATOM 615 CB VAL A 43 0.016 -4.467 -1.901 1.00 55.11 C ATOM 616 CG1 VAL A 43 1.136 -3.595 -1.351 1.00 65.53 C ATOM 617 CG2 VAL A 43 -1.161 -3.615 -2.351 1.00 72.21 C ATOM 0 H VAL A 43 -0.339 -4.374 -4.713 1.00 32.53 H new ATOM 0 HA VAL A 43 1.551 -5.652 -2.850 1.00 62.33 H new ATOM 0 HB VAL A 43 -0.326 -5.126 -1.103 1.00 55.11 H new ATOM 0 HG11 VAL A 43 0.755 -2.989 -0.529 1.00 65.53 H new ATOM 0 HG12 VAL A 43 1.946 -4.228 -0.989 1.00 65.53 H new ATOM 0 HG13 VAL A 43 1.510 -2.943 -2.140 1.00 65.53 H new ATOM 0 HG21 VAL A 43 -1.511 -3.008 -1.516 1.00 72.21 H new ATOM 0 HG22 VAL A 43 -0.848 -2.963 -3.167 1.00 72.21 H new ATOM 0 HG23 VAL A 43 -1.969 -4.262 -2.693 1.00 72.21 H new ATOM 627 N LYS A 44 -0.436 -7.355 -2.134 1.00 53.15 N ATOM 628 CA LYS A 44 -1.256 -8.560 -2.131 1.00 55.05 C ATOM 629 C LYS A 44 -1.310 -9.177 -0.736 1.00 32.41 C ATOM 630 O LYS A 44 -0.320 -9.174 -0.004 1.00 13.15 O ATOM 631 CB LYS A 44 -0.703 -9.580 -3.129 1.00 72.32 C ATOM 632 CG LYS A 44 -1.069 -11.017 -2.797 1.00 43.22 C ATOM 633 CD LYS A 44 0.094 -11.753 -2.153 1.00 22.32 C ATOM 634 CE LYS A 44 1.261 -11.902 -3.116 1.00 51.44 C ATOM 635 NZ LYS A 44 1.507 -13.327 -3.475 1.00 45.43 N ATOM 0 H LYS A 44 0.063 -7.183 -1.261 1.00 53.15 H new ATOM 0 HA LYS A 44 -2.268 -8.282 -2.427 1.00 55.05 H new ATOM 0 HB2 LYS A 44 -1.075 -9.340 -4.125 1.00 72.32 H new ATOM 0 HB3 LYS A 44 0.383 -9.489 -3.164 1.00 72.32 H new ATOM 0 HG2 LYS A 44 -1.926 -11.029 -2.124 1.00 43.22 H new ATOM 0 HG3 LYS A 44 -1.371 -11.536 -3.707 1.00 43.22 H new ATOM 0 HD2 LYS A 44 0.421 -11.213 -1.265 1.00 22.32 H new ATOM 0 HD3 LYS A 44 -0.235 -12.738 -1.824 1.00 22.32 H new ATOM 0 HE2 LYS A 44 1.060 -11.329 -4.021 1.00 51.44 H new ATOM 0 HE3 LYS A 44 2.160 -11.481 -2.665 1.00 51.44 H new ATOM 0 HZ1 LYS A 44 2.310 -13.386 -4.133 1.00 45.43 H new ATOM 0 HZ2 LYS A 44 1.724 -13.869 -2.615 1.00 45.43 H new ATOM 0 HZ3 LYS A 44 0.659 -13.722 -3.928 1.00 45.43 H new ATOM 645 N LYS A 45 -2.473 -9.707 -0.374 1.00 62.42 N ATOM 646 CA LYS A 45 -2.658 -10.330 0.931 1.00 54.11 C ATOM 647 C LYS A 45 -1.784 -11.573 1.070 1.00 15.54 C ATOM 648 O LYS A 45 -1.645 -12.355 0.127 1.00 43.15 O ATOM 649 CB LYS A 45 -4.127 -10.702 1.139 1.00 63.42 C ATOM 650 CG LYS A 45 -4.847 -9.808 2.133 1.00 60.03 C ATOM 651 CD LYS A 45 -6.032 -10.518 2.767 1.00 50.40 C ATOM 652 CE LYS A 45 -7.292 -10.353 1.932 1.00 15.14 C ATOM 653 NZ LYS A 45 -7.727 -11.640 1.322 1.00 13.15 N ATOM 0 H LYS A 45 -3.303 -9.718 -0.967 1.00 62.42 H new ATOM 0 HA LYS A 45 -2.360 -9.610 1.694 1.00 54.11 H new ATOM 0 HB2 LYS A 45 -4.644 -10.655 0.181 1.00 63.42 H new ATOM 0 HB3 LYS A 45 -4.186 -11.735 1.483 1.00 63.42 H new ATOM 0 HG2 LYS A 45 -4.151 -9.494 2.911 1.00 60.03 H new ATOM 0 HG3 LYS A 45 -5.190 -8.905 1.629 1.00 60.03 H new ATOM 0 HD2 LYS A 45 -5.805 -11.578 2.879 1.00 50.40 H new ATOM 0 HD3 LYS A 45 -6.203 -10.121 3.768 1.00 50.40 H new ATOM 0 HE2 LYS A 45 -8.093 -9.959 2.558 1.00 15.14 H new ATOM 0 HE3 LYS A 45 -7.112 -9.621 1.145 1.00 15.14 H new ATOM 0 HZ1 LYS A 45 -8.589 -11.485 0.761 1.00 13.15 H new ATOM 0 HZ2 LYS A 45 -6.973 -12.004 0.705 1.00 13.15 H new ATOM 0 HZ3 LYS A 45 -7.923 -12.332 2.074 1.00 13.15 H new ATOM 663 N LEU A 46 -1.197 -11.750 2.247 1.00 41.55 N ATOM 664 CA LEU A 46 -0.337 -12.899 2.510 1.00 23.15 C ATOM 665 C LEU A 46 -1.108 -14.004 3.225 1.00 64.11 C ATOM 666 O LEU A 46 -1.792 -13.755 4.219 1.00 32.12 O ATOM 667 CB LEU A 46 0.869 -12.477 3.350 1.00 14.11 C ATOM 668 CG LEU A 46 1.806 -11.451 2.711 1.00 20.31 C ATOM 669 CD1 LEU A 46 2.233 -10.409 3.733 1.00 21.11 C ATOM 670 CD2 LEU A 46 3.022 -12.142 2.111 1.00 13.04 C ATOM 0 H LEU A 46 -1.300 -11.112 3.036 1.00 41.55 H new ATOM 0 HA LEU A 46 0.013 -13.286 1.553 1.00 23.15 H new ATOM 0 HB2 LEU A 46 0.505 -12.069 4.293 1.00 14.11 H new ATOM 0 HB3 LEU A 46 1.449 -13.368 3.591 1.00 14.11 H new ATOM 0 HG LEU A 46 1.268 -10.945 1.910 1.00 20.31 H new ATOM 0 HD11 LEU A 46 2.899 -9.687 3.260 1.00 21.11 H new ATOM 0 HD12 LEU A 46 1.353 -9.893 4.116 1.00 21.11 H new ATOM 0 HD13 LEU A 46 2.754 -10.899 4.556 1.00 21.11 H new ATOM 0 HD21 LEU A 46 3.678 -11.397 1.660 1.00 13.04 H new ATOM 0 HD22 LEU A 46 3.561 -12.675 2.894 1.00 13.04 H new ATOM 0 HD23 LEU A 46 2.699 -12.850 1.348 1.00 13.04 H new ATOM 681 N ASP A 47 -0.991 -15.225 2.715 1.00 21.32 N ATOM 682 CA ASP A 47 -1.674 -16.369 3.306 1.00 43.05 C ATOM 683 C ASP A 47 -1.052 -16.739 4.649 1.00 73.21 C ATOM 684 O ASP A 47 -0.004 -17.385 4.702 1.00 24.31 O ATOM 685 CB ASP A 47 -1.622 -17.568 2.358 1.00 45.22 C ATOM 686 CG ASP A 47 -1.617 -18.891 3.099 1.00 34.54 C ATOM 687 OD1 ASP A 47 -2.599 -19.174 3.816 1.00 60.32 O ATOM 688 OD2 ASP A 47 -0.631 -19.645 2.957 1.00 64.14 O ATOM 0 H ASP A 47 -0.429 -15.448 1.893 1.00 21.32 H new ATOM 0 HA ASP A 47 -2.715 -16.093 3.472 1.00 43.05 H new ATOM 0 HB2 ASP A 47 -2.480 -17.534 1.686 1.00 45.22 H new ATOM 0 HB3 ASP A 47 -0.728 -17.499 1.738 1.00 45.22 H new ATOM 692 N SER A 48 -1.701 -16.325 5.732 1.00 22.31 N ATOM 693 CA SER A 48 -1.209 -16.609 7.075 1.00 21.10 C ATOM 694 C SER A 48 -2.266 -17.337 7.899 1.00 1.44 C ATOM 695 O SER A 48 -1.967 -17.912 8.944 1.00 61.43 O ATOM 696 CB SER A 48 -0.803 -15.311 7.777 1.00 13.03 C ATOM 697 OG SER A 48 0.568 -15.023 7.562 1.00 62.04 O ATOM 0 H SER A 48 -2.570 -15.791 5.706 1.00 22.31 H new ATOM 0 HA SER A 48 -0.335 -17.255 6.986 1.00 21.10 H new ATOM 0 HB2 SER A 48 -1.413 -14.487 7.407 1.00 13.03 H new ATOM 0 HB3 SER A 48 -0.997 -15.396 8.846 1.00 13.03 H new ATOM 0 HG SER A 48 0.803 -14.188 8.019 1.00 62.04 H new ATOM 702 N GLY A 49 -3.506 -17.306 7.419 1.00 42.34 N ATOM 703 CA GLY A 49 -4.591 -17.966 8.124 1.00 51.31 C ATOM 704 C GLY A 49 -4.540 -17.727 9.620 1.00 21.54 C ATOM 705 O GLY A 49 -4.574 -18.672 10.409 1.00 53.40 O ATOM 0 H GLY A 49 -3.779 -16.836 6.556 1.00 42.34 H new ATOM 0 HA2 GLY A 49 -5.544 -17.608 7.734 1.00 51.31 H new ATOM 0 HA3 GLY A 49 -4.549 -19.038 7.929 1.00 51.31 H new ATOM 709 N THR A 50 -4.458 -16.459 10.014 1.00 34.22 N ATOM 710 CA THR A 50 -4.400 -16.099 11.425 1.00 35.11 C ATOM 711 C THR A 50 -5.497 -15.104 11.783 1.00 72.14 C ATOM 712 O THR A 50 -6.014 -15.111 12.900 1.00 53.30 O ATOM 713 CB THR A 50 -3.032 -15.495 11.794 1.00 2.42 C ATOM 714 OG1 THR A 50 -2.890 -15.438 13.217 1.00 44.34 O ATOM 715 CG2 THR A 50 -2.883 -14.099 11.208 1.00 55.43 C ATOM 0 H THR A 50 -4.430 -15.665 9.375 1.00 34.22 H new ATOM 0 HA THR A 50 -4.548 -17.017 11.993 1.00 35.11 H new ATOM 0 HB THR A 50 -2.252 -16.133 11.377 1.00 2.42 H new ATOM 0 HG1 THR A 50 -1.965 -15.207 13.444 1.00 44.34 H new ATOM 0 HG21 THR A 50 -1.910 -13.692 11.481 1.00 55.43 H new ATOM 0 HG22 THR A 50 -2.963 -14.150 10.122 1.00 55.43 H new ATOM 0 HG23 THR A 50 -3.669 -13.454 11.600 1.00 55.43 H new ATOM 723 N GLY A 51 -5.850 -14.249 10.828 1.00 71.41 N ATOM 724 CA GLY A 51 -6.885 -13.260 11.064 1.00 1.52 C ATOM 725 C GLY A 51 -6.400 -11.844 10.820 1.00 42.13 C ATOM 726 O GLY A 51 -7.148 -11.000 10.328 1.00 1.14 O ATOM 0 H GLY A 51 -5.438 -14.224 9.895 1.00 71.41 H new ATOM 0 HA2 GLY A 51 -7.736 -13.467 10.414 1.00 1.52 H new ATOM 0 HA3 GLY A 51 -7.240 -13.348 12.091 1.00 1.52 H new ATOM 730 N LYS A 52 -5.145 -11.582 11.166 1.00 53.12 N ATOM 731 CA LYS A 52 -4.559 -10.259 10.983 1.00 32.31 C ATOM 732 C LYS A 52 -4.598 -9.846 9.515 1.00 21.11 C ATOM 733 O LYS A 52 -4.412 -10.673 8.624 1.00 33.04 O ATOM 734 CB LYS A 52 -3.116 -10.243 11.490 1.00 55.41 C ATOM 735 CG LYS A 52 -3.003 -10.146 13.001 1.00 62.01 C ATOM 736 CD LYS A 52 -2.368 -11.393 13.595 1.00 44.11 C ATOM 737 CE LYS A 52 -3.420 -12.355 14.125 1.00 21.24 C ATOM 738 NZ LYS A 52 -3.788 -12.052 15.536 1.00 70.40 N ATOM 0 H LYS A 52 -4.512 -12.269 11.576 1.00 53.12 H new ATOM 0 HA LYS A 52 -5.148 -9.545 11.559 1.00 32.31 H new ATOM 0 HB2 LYS A 52 -2.612 -11.149 11.154 1.00 55.41 H new ATOM 0 HB3 LYS A 52 -2.591 -9.400 11.040 1.00 55.41 H new ATOM 0 HG2 LYS A 52 -2.408 -9.272 13.267 1.00 62.01 H new ATOM 0 HG3 LYS A 52 -3.994 -10.001 13.432 1.00 62.01 H new ATOM 0 HD2 LYS A 52 -1.766 -11.893 12.836 1.00 44.11 H new ATOM 0 HD3 LYS A 52 -1.693 -11.110 14.402 1.00 44.11 H new ATOM 0 HE2 LYS A 52 -4.310 -12.301 13.498 1.00 21.24 H new ATOM 0 HE3 LYS A 52 -3.045 -13.376 14.059 1.00 21.24 H new ATOM 0 HZ1 LYS A 52 -4.507 -12.730 15.860 1.00 70.40 H new ATOM 0 HZ2 LYS A 52 -2.944 -12.128 16.139 1.00 70.40 H new ATOM 0 HZ3 LYS A 52 -4.170 -11.087 15.595 1.00 70.40 H new ATOM 748 N GLU A 53 -4.841 -8.562 9.273 1.00 11.12 N ATOM 749 CA GLU A 53 -4.904 -8.040 7.913 1.00 34.22 C ATOM 750 C GLU A 53 -3.540 -7.521 7.465 1.00 63.34 C ATOM 751 O GLU A 53 -3.167 -6.386 7.762 1.00 23.34 O ATOM 752 CB GLU A 53 -5.943 -6.921 7.819 1.00 55.00 C ATOM 753 CG GLU A 53 -7.171 -7.157 8.682 1.00 70.33 C ATOM 754 CD GLU A 53 -6.929 -6.830 10.143 1.00 32.31 C ATOM 755 OE1 GLU A 53 -6.517 -5.688 10.433 1.00 51.33 O ATOM 756 OE2 GLU A 53 -7.152 -7.716 10.995 1.00 10.43 O ATOM 0 H GLU A 53 -4.997 -7.864 10.001 1.00 11.12 H new ATOM 0 HA GLU A 53 -5.198 -8.856 7.252 1.00 34.22 H new ATOM 0 HB2 GLU A 53 -5.478 -5.980 8.113 1.00 55.00 H new ATOM 0 HB3 GLU A 53 -6.255 -6.812 6.780 1.00 55.00 H new ATOM 0 HG2 GLU A 53 -7.995 -6.549 8.309 1.00 70.33 H new ATOM 0 HG3 GLU A 53 -7.478 -8.199 8.593 1.00 70.33 H new ATOM 761 N LEU A 54 -2.799 -8.362 6.751 1.00 5.11 N ATOM 762 CA LEU A 54 -1.476 -7.990 6.262 1.00 53.44 C ATOM 763 C LEU A 54 -1.400 -8.118 4.745 1.00 10.24 C ATOM 764 O LEU A 54 -2.170 -8.858 4.134 1.00 63.32 O ATOM 765 CB LEU A 54 -0.406 -8.868 6.914 1.00 34.05 C ATOM 766 CG LEU A 54 -0.809 -10.313 7.206 1.00 24.41 C ATOM 767 CD1 LEU A 54 -1.011 -11.084 5.912 1.00 20.34 C ATOM 768 CD2 LEU A 54 0.238 -10.993 8.077 1.00 32.04 C ATOM 0 H LEU A 54 -3.092 -9.306 6.498 1.00 5.11 H new ATOM 0 HA LEU A 54 -1.296 -6.949 6.529 1.00 53.44 H new ATOM 0 HB2 LEU A 54 0.470 -8.880 6.265 1.00 34.05 H new ATOM 0 HB3 LEU A 54 -0.102 -8.400 7.851 1.00 34.05 H new ATOM 0 HG LEU A 54 -1.754 -10.303 7.749 1.00 24.41 H new ATOM 0 HD11 LEU A 54 -1.297 -12.110 6.141 1.00 20.34 H new ATOM 0 HD12 LEU A 54 -1.798 -10.610 5.325 1.00 20.34 H new ATOM 0 HD13 LEU A 54 -0.083 -11.085 5.341 1.00 20.34 H new ATOM 0 HD21 LEU A 54 -0.065 -12.021 8.275 1.00 32.04 H new ATOM 0 HD22 LEU A 54 1.198 -10.991 7.561 1.00 32.04 H new ATOM 0 HD23 LEU A 54 0.332 -10.455 9.020 1.00 32.04 H new ATOM 779 N VAL A 55 -0.465 -7.390 4.140 1.00 64.44 N ATOM 780 CA VAL A 55 -0.286 -7.424 2.694 1.00 41.43 C ATOM 781 C VAL A 55 1.171 -7.187 2.315 1.00 21.02 C ATOM 782 O VAL A 55 1.806 -6.249 2.801 1.00 21.02 O ATOM 783 CB VAL A 55 -1.165 -6.371 1.995 1.00 3.24 C ATOM 784 CG1 VAL A 55 -2.461 -6.997 1.503 1.00 74.50 C ATOM 785 CG2 VAL A 55 -1.448 -5.207 2.933 1.00 25.00 C ATOM 0 H VAL A 55 0.180 -6.770 4.630 1.00 64.44 H new ATOM 0 HA VAL A 55 -0.588 -8.417 2.361 1.00 41.43 H new ATOM 0 HB VAL A 55 -0.624 -5.988 1.130 1.00 3.24 H new ATOM 0 HG11 VAL A 55 -3.069 -6.237 1.012 1.00 74.50 H new ATOM 0 HG12 VAL A 55 -2.234 -7.794 0.795 1.00 74.50 H new ATOM 0 HG13 VAL A 55 -3.010 -7.409 2.349 1.00 74.50 H new ATOM 0 HG21 VAL A 55 -2.071 -4.472 2.423 1.00 25.00 H new ATOM 0 HG22 VAL A 55 -1.969 -5.572 3.819 1.00 25.00 H new ATOM 0 HG23 VAL A 55 -0.508 -4.743 3.230 1.00 25.00 H new ATOM 795 N LEU A 56 1.697 -8.042 1.445 1.00 11.20 N ATOM 796 CA LEU A 56 3.081 -7.925 0.999 1.00 52.43 C ATOM 797 C LEU A 56 3.185 -7.022 -0.226 1.00 71.21 C ATOM 798 O LEU A 56 2.227 -6.878 -0.985 1.00 32.33 O ATOM 799 CB LEU A 56 3.652 -9.307 0.677 1.00 72.05 C ATOM 800 CG LEU A 56 5.072 -9.331 0.109 1.00 64.32 C ATOM 801 CD1 LEU A 56 5.872 -10.470 0.721 1.00 53.14 C ATOM 802 CD2 LEU A 56 5.037 -9.456 -1.407 1.00 30.10 C ATOM 0 H LEU A 56 1.186 -8.824 1.034 1.00 11.20 H new ATOM 0 HA LEU A 56 3.660 -7.478 1.807 1.00 52.43 H new ATOM 0 HB2 LEU A 56 3.636 -9.906 1.588 1.00 72.05 H new ATOM 0 HB3 LEU A 56 2.988 -9.795 -0.037 1.00 72.05 H new ATOM 0 HG LEU A 56 5.562 -8.392 0.365 1.00 64.32 H new ATOM 0 HD11 LEU A 56 6.880 -10.472 0.305 1.00 53.14 H new ATOM 0 HD12 LEU A 56 5.926 -10.337 1.802 1.00 53.14 H new ATOM 0 HD13 LEU A 56 5.385 -11.419 0.496 1.00 53.14 H new ATOM 0 HD21 LEU A 56 6.056 -9.472 -1.794 1.00 30.10 H new ATOM 0 HD22 LEU A 56 4.529 -10.380 -1.684 1.00 30.10 H new ATOM 0 HD23 LEU A 56 4.501 -8.606 -1.830 1.00 30.10 H new ATOM 813 N ALA A 57 4.353 -6.418 -0.413 1.00 74.02 N ATOM 814 CA ALA A 57 4.584 -5.533 -1.548 1.00 43.12 C ATOM 815 C ALA A 57 5.197 -6.291 -2.720 1.00 22.00 C ATOM 816 O ALA A 57 6.334 -6.758 -2.644 1.00 13.24 O ATOM 817 CB ALA A 57 5.480 -4.374 -1.140 1.00 54.51 C ATOM 0 H ALA A 57 5.155 -6.525 0.208 1.00 74.02 H new ATOM 0 HA ALA A 57 3.621 -5.137 -1.870 1.00 43.12 H new ATOM 0 HB1 ALA A 57 5.644 -3.721 -1.998 1.00 54.51 H new ATOM 0 HB2 ALA A 57 5.002 -3.809 -0.340 1.00 54.51 H new ATOM 0 HB3 ALA A 57 6.437 -4.760 -0.790 1.00 54.51 H new ATOM 823 N LEU A 58 4.437 -6.412 -3.803 1.00 63.02 N ATOM 824 CA LEU A 58 4.906 -7.115 -4.992 1.00 51.33 C ATOM 825 C LEU A 58 5.793 -6.213 -5.844 1.00 21.12 C ATOM 826 O LEU A 58 6.764 -6.670 -6.447 1.00 42.22 O ATOM 827 CB LEU A 58 3.717 -7.609 -5.819 1.00 54.13 C ATOM 828 CG LEU A 58 2.482 -8.041 -5.026 1.00 14.21 C ATOM 829 CD1 LEU A 58 1.371 -8.480 -5.968 1.00 74.15 C ATOM 830 CD2 LEU A 58 2.836 -9.160 -4.057 1.00 22.14 C ATOM 0 H LEU A 58 3.494 -6.032 -3.882 1.00 63.02 H new ATOM 0 HA LEU A 58 5.496 -7.972 -4.668 1.00 51.33 H new ATOM 0 HB2 LEU A 58 3.424 -6.816 -6.507 1.00 54.13 H new ATOM 0 HB3 LEU A 58 4.047 -8.452 -6.426 1.00 54.13 H new ATOM 0 HG LEU A 58 2.126 -7.187 -4.449 1.00 14.21 H new ATOM 0 HD11 LEU A 58 0.500 -8.784 -5.387 1.00 74.15 H new ATOM 0 HD12 LEU A 58 1.100 -7.651 -6.622 1.00 74.15 H new ATOM 0 HD13 LEU A 58 1.716 -9.320 -6.571 1.00 74.15 H new ATOM 0 HD21 LEU A 58 1.946 -9.455 -3.501 1.00 22.14 H new ATOM 0 HD22 LEU A 58 3.217 -10.016 -4.614 1.00 22.14 H new ATOM 0 HD23 LEU A 58 3.599 -8.811 -3.361 1.00 22.14 H new ATOM 841 N TYR A 59 5.452 -4.929 -5.888 1.00 72.33 N ATOM 842 CA TYR A 59 6.217 -3.962 -6.666 1.00 73.31 C ATOM 843 C TYR A 59 6.659 -2.790 -5.795 1.00 32.04 C ATOM 844 O TYR A 59 6.351 -2.736 -4.605 1.00 73.11 O ATOM 845 CB TYR A 59 5.386 -3.452 -7.844 1.00 31.45 C ATOM 846 CG TYR A 59 4.596 -4.536 -8.543 1.00 42.51 C ATOM 847 CD1 TYR A 59 5.151 -5.788 -8.774 1.00 50.11 C ATOM 848 CD2 TYR A 59 3.294 -4.308 -8.970 1.00 4.42 C ATOM 849 CE1 TYR A 59 4.433 -6.780 -9.412 1.00 35.42 C ATOM 850 CE2 TYR A 59 2.568 -5.295 -9.608 1.00 32.22 C ATOM 851 CZ TYR A 59 3.142 -6.529 -9.827 1.00 35.11 C ATOM 852 OH TYR A 59 2.424 -7.517 -10.463 1.00 2.51 O ATOM 0 H TYR A 59 4.651 -4.535 -5.394 1.00 72.33 H new ATOM 0 HA TYR A 59 7.107 -4.463 -7.048 1.00 73.31 H new ATOM 0 HB2 TYR A 59 4.698 -2.685 -7.487 1.00 31.45 H new ATOM 0 HB3 TYR A 59 6.049 -2.975 -8.566 1.00 31.45 H new ATOM 0 HD1 TYR A 59 6.161 -5.989 -8.449 1.00 50.11 H new ATOM 0 HD2 TYR A 59 2.841 -3.342 -8.800 1.00 4.42 H new ATOM 0 HE1 TYR A 59 4.880 -7.748 -9.585 1.00 35.42 H new ATOM 0 HE2 TYR A 59 1.557 -5.101 -9.933 1.00 32.22 H new ATOM 0 HH TYR A 59 1.532 -7.179 -10.689 1.00 2.51 H new ATOM 861 N ASP A 60 7.384 -1.854 -6.399 1.00 62.33 N ATOM 862 CA ASP A 60 7.868 -0.681 -5.680 1.00 31.14 C ATOM 863 C ASP A 60 6.977 0.528 -5.951 1.00 32.31 C ATOM 864 O ASP A 60 6.758 0.906 -7.103 1.00 75.02 O ATOM 865 CB ASP A 60 9.310 -0.367 -6.085 1.00 64.54 C ATOM 866 CG ASP A 60 9.568 -0.629 -7.556 1.00 72.35 C ATOM 867 OD1 ASP A 60 9.316 0.280 -8.373 1.00 11.50 O ATOM 868 OD2 ASP A 60 10.020 -1.744 -7.889 1.00 33.45 O ATOM 0 H ASP A 60 7.649 -1.885 -7.383 1.00 62.33 H new ATOM 0 HA ASP A 60 7.838 -0.901 -4.613 1.00 31.14 H new ATOM 0 HB2 ASP A 60 9.528 0.677 -5.861 1.00 64.54 H new ATOM 0 HB3 ASP A 60 9.992 -0.971 -5.486 1.00 64.54 H new ATOM 872 N TYR A 61 6.464 1.129 -4.884 1.00 74.01 N ATOM 873 CA TYR A 61 5.594 2.293 -5.006 1.00 70.24 C ATOM 874 C TYR A 61 6.118 3.456 -4.169 1.00 60.32 C ATOM 875 O TYR A 61 7.032 3.290 -3.362 1.00 52.11 O ATOM 876 CB TYR A 61 4.170 1.938 -4.572 1.00 11.34 C ATOM 877 CG TYR A 61 3.180 3.064 -4.770 1.00 41.20 C ATOM 878 CD1 TYR A 61 3.028 4.058 -3.811 1.00 1.43 C ATOM 879 CD2 TYR A 61 2.397 3.133 -5.916 1.00 64.53 C ATOM 880 CE1 TYR A 61 2.124 5.087 -3.988 1.00 3.12 C ATOM 881 CE2 TYR A 61 1.490 4.160 -6.101 1.00 51.13 C ATOM 882 CZ TYR A 61 1.358 5.134 -5.134 1.00 25.22 C ATOM 883 OH TYR A 61 0.457 6.159 -5.314 1.00 45.15 O ATOM 0 H TYR A 61 6.635 0.830 -3.924 1.00 74.01 H new ATOM 0 HA TYR A 61 5.583 2.599 -6.052 1.00 70.24 H new ATOM 0 HB2 TYR A 61 3.834 1.067 -5.134 1.00 11.34 H new ATOM 0 HB3 TYR A 61 4.180 1.654 -3.520 1.00 11.34 H new ATOM 0 HD1 TYR A 61 3.627 4.025 -2.913 1.00 1.43 H new ATOM 0 HD2 TYR A 61 2.499 2.371 -6.675 1.00 64.53 H new ATOM 0 HE1 TYR A 61 2.017 5.851 -3.233 1.00 3.12 H new ATOM 0 HE2 TYR A 61 0.889 4.199 -6.997 1.00 51.13 H new ATOM 0 HH TYR A 61 -0.288 5.846 -5.869 1.00 45.15 H new ATOM 892 N GLN A 62 5.531 4.631 -4.367 1.00 64.15 N ATOM 893 CA GLN A 62 5.938 5.822 -3.630 1.00 31.22 C ATOM 894 C GLN A 62 4.776 6.800 -3.492 1.00 71.14 C ATOM 895 O GLN A 62 4.264 7.315 -4.485 1.00 73.11 O ATOM 896 CB GLN A 62 7.113 6.504 -4.332 1.00 34.02 C ATOM 897 CG GLN A 62 7.328 7.945 -3.898 1.00 72.03 C ATOM 898 CD GLN A 62 7.822 8.056 -2.469 1.00 64.41 C ATOM 899 OE1 GLN A 62 9.024 8.147 -2.220 1.00 51.25 O ATOM 900 NE2 GLN A 62 6.892 8.047 -1.520 1.00 54.24 N ATOM 0 H GLN A 62 4.772 4.784 -5.031 1.00 64.15 H new ATOM 0 HA GLN A 62 6.249 5.513 -2.632 1.00 31.22 H new ATOM 0 HB2 GLN A 62 8.022 5.935 -4.137 1.00 34.02 H new ATOM 0 HB3 GLN A 62 6.946 6.479 -5.409 1.00 34.02 H new ATOM 0 HG2 GLN A 62 8.049 8.418 -4.565 1.00 72.03 H new ATOM 0 HG3 GLN A 62 6.392 8.494 -3.999 1.00 72.03 H new ATOM 0 HE21 GLN A 62 5.907 7.970 -1.772 1.00 54.24 H new ATOM 0 HE22 GLN A 62 7.163 8.117 -0.539 1.00 54.24 H new ATOM 907 N GLU A 63 4.365 7.050 -2.252 1.00 3.22 N ATOM 908 CA GLU A 63 3.262 7.966 -1.985 1.00 14.22 C ATOM 909 C GLU A 63 3.744 9.183 -1.201 1.00 3.44 C ATOM 910 O GLU A 63 4.519 9.058 -0.254 1.00 50.31 O ATOM 911 CB GLU A 63 2.154 7.252 -1.209 1.00 64.15 C ATOM 912 CG GLU A 63 0.756 7.570 -1.712 1.00 65.44 C ATOM 913 CD GLU A 63 0.672 8.927 -2.383 1.00 32.04 C ATOM 914 OE1 GLU A 63 0.726 9.948 -1.666 1.00 62.11 O ATOM 915 OE2 GLU A 63 0.551 8.968 -3.626 1.00 52.43 O ATOM 0 H GLU A 63 4.778 6.632 -1.419 1.00 3.22 H new ATOM 0 HA GLU A 63 2.865 8.305 -2.942 1.00 14.22 H new ATOM 0 HB2 GLU A 63 2.316 6.176 -1.268 1.00 64.15 H new ATOM 0 HB3 GLU A 63 2.224 7.527 -0.157 1.00 64.15 H new ATOM 0 HG2 GLU A 63 0.444 6.800 -2.418 1.00 65.44 H new ATOM 0 HG3 GLU A 63 0.057 7.538 -0.876 1.00 65.44 H new ATOM 920 N SER A 64 3.278 10.361 -1.605 1.00 12.34 N ATOM 921 CA SER A 64 3.665 11.603 -0.945 1.00 42.02 C ATOM 922 C SER A 64 2.469 12.240 -0.242 1.00 34.04 C ATOM 923 O SER A 64 1.749 13.048 -0.827 1.00 11.33 O ATOM 924 CB SER A 64 4.256 12.583 -1.960 1.00 60.14 C ATOM 925 OG SER A 64 3.332 12.862 -2.997 1.00 31.24 O ATOM 0 H SER A 64 2.632 10.481 -2.386 1.00 12.34 H new ATOM 0 HA SER A 64 4.421 11.367 -0.196 1.00 42.02 H new ATOM 0 HB2 SER A 64 4.533 13.509 -1.457 1.00 60.14 H new ATOM 0 HB3 SER A 64 5.169 12.165 -2.385 1.00 60.14 H new ATOM 0 HG SER A 64 2.430 12.931 -2.621 1.00 31.24 H new ATOM 930 N GLY A 65 2.263 11.868 1.017 1.00 52.14 N ATOM 931 CA GLY A 65 1.154 12.411 1.780 1.00 12.40 C ATOM 932 C GLY A 65 -0.135 11.648 1.550 1.00 44.34 C ATOM 933 O GLY A 65 -0.752 11.762 0.491 1.00 72.23 O ATOM 0 H GLY A 65 2.844 11.200 1.523 1.00 52.14 H new ATOM 0 HA2 GLY A 65 1.402 12.389 2.841 1.00 12.40 H new ATOM 0 HA3 GLY A 65 1.007 13.456 1.509 1.00 12.40 H new ATOM 937 N ASP A 66 -0.544 10.868 2.546 1.00 55.31 N ATOM 938 CA ASP A 66 -1.769 10.083 2.448 1.00 12.11 C ATOM 939 C ASP A 66 -2.843 10.845 1.679 1.00 34.01 C ATOM 940 O ASP A 66 -3.455 11.774 2.203 1.00 51.22 O ATOM 941 CB ASP A 66 -2.281 9.723 3.843 1.00 33.32 C ATOM 942 CG ASP A 66 -1.160 9.590 4.855 1.00 43.54 C ATOM 943 OD1 ASP A 66 -0.455 10.593 5.094 1.00 2.03 O ATOM 944 OD2 ASP A 66 -0.989 8.485 5.410 1.00 43.43 O ATOM 0 H ASP A 66 -0.045 10.763 3.429 1.00 55.31 H new ATOM 0 HA ASP A 66 -1.541 9.166 1.905 1.00 12.11 H new ATOM 0 HB2 ASP A 66 -2.981 10.488 4.179 1.00 33.32 H new ATOM 0 HB3 ASP A 66 -2.834 8.785 3.793 1.00 33.32 H new ATOM 948 N ASN A 67 -3.065 10.445 0.430 1.00 42.50 N ATOM 949 CA ASN A 67 -4.065 11.092 -0.412 1.00 32.14 C ATOM 950 C ASN A 67 -5.087 10.079 -0.919 1.00 43.44 C ATOM 951 O ASN A 67 -4.789 8.892 -1.046 1.00 52.13 O ATOM 952 CB ASN A 67 -3.391 11.789 -1.596 1.00 15.10 C ATOM 953 CG ASN A 67 -4.248 11.763 -2.846 1.00 4.43 C ATOM 954 OD1 ASN A 67 -4.895 12.754 -3.189 1.00 51.24 O ATOM 955 ND2 ASN A 67 -4.259 10.628 -3.535 1.00 55.22 N ATOM 0 H ASN A 67 -2.567 9.677 -0.020 1.00 42.50 H new ATOM 0 HA ASN A 67 -4.585 11.836 0.191 1.00 32.14 H new ATOM 0 HB2 ASN A 67 -3.173 12.823 -1.329 1.00 15.10 H new ATOM 0 HB3 ASN A 67 -2.436 11.306 -1.803 1.00 15.10 H new ATOM 0 HD21 ASN A 67 -4.818 10.553 -4.385 1.00 55.22 H new ATOM 0 HD22 ASN A 67 -3.708 9.832 -3.215 1.00 55.22 H new ATOM 961 N ALA A 68 -6.293 10.557 -1.207 1.00 44.32 N ATOM 962 CA ALA A 68 -7.359 9.695 -1.701 1.00 12.10 C ATOM 963 C ALA A 68 -7.147 9.349 -3.172 1.00 44.34 C ATOM 964 O ALA A 68 -6.742 10.186 -3.979 1.00 13.21 O ATOM 965 CB ALA A 68 -8.712 10.361 -1.503 1.00 73.41 C ATOM 0 H ALA A 68 -6.556 11.537 -1.107 1.00 44.32 H new ATOM 0 HA ALA A 68 -7.337 8.767 -1.129 1.00 12.10 H new ATOM 0 HB1 ALA A 68 -9.498 9.705 -1.877 1.00 73.41 H new ATOM 0 HB2 ALA A 68 -8.872 10.551 -0.442 1.00 73.41 H new ATOM 0 HB3 ALA A 68 -8.736 11.304 -2.048 1.00 73.41 H new ATOM 971 N PRO A 69 -7.427 8.087 -3.530 1.00 3.52 N ATOM 972 CA PRO A 69 -7.274 7.603 -4.905 1.00 24.42 C ATOM 973 C PRO A 69 -8.309 8.205 -5.850 1.00 24.31 C ATOM 974 O PRO A 69 -9.325 7.579 -6.153 1.00 42.13 O ATOM 975 CB PRO A 69 -7.484 6.092 -4.775 1.00 44.44 C ATOM 976 CG PRO A 69 -8.324 5.931 -3.554 1.00 51.34 C ATOM 977 CD PRO A 69 -7.915 7.036 -2.620 1.00 15.23 C ATOM 0 HA PRO A 69 -6.308 7.878 -5.329 1.00 24.42 H new ATOM 0 HB2 PRO A 69 -7.982 5.684 -5.655 1.00 44.44 H new ATOM 0 HB3 PRO A 69 -6.534 5.567 -4.674 1.00 44.44 H new ATOM 0 HG2 PRO A 69 -9.384 5.999 -3.798 1.00 51.34 H new ATOM 0 HG3 PRO A 69 -8.164 4.955 -3.097 1.00 51.34 H new ATOM 0 HD2 PRO A 69 -8.754 7.384 -2.017 1.00 15.23 H new ATOM 0 HD3 PRO A 69 -7.138 6.711 -1.928 1.00 15.23 H new ATOM 982 N SER A 70 -8.044 9.422 -6.313 1.00 31.22 N ATOM 983 CA SER A 70 -8.955 10.109 -7.222 1.00 55.33 C ATOM 984 C SER A 70 -8.622 9.782 -8.674 1.00 25.34 C ATOM 985 O SER A 70 -9.314 10.219 -9.594 1.00 21.43 O ATOM 986 CB SER A 70 -8.885 11.621 -6.999 1.00 24.14 C ATOM 987 OG SER A 70 -10.088 12.252 -7.404 1.00 61.03 O ATOM 0 H SER A 70 -7.206 9.953 -6.074 1.00 31.22 H new ATOM 0 HA SER A 70 -9.968 9.764 -7.013 1.00 55.33 H new ATOM 0 HB2 SER A 70 -8.699 11.828 -5.945 1.00 24.14 H new ATOM 0 HB3 SER A 70 -8.047 12.036 -7.558 1.00 24.14 H new ATOM 0 HG SER A 70 -10.363 11.903 -8.277 1.00 61.03 H new ATOM 992 N TYR A 71 -7.561 9.009 -8.871 1.00 34.14 N ATOM 993 CA TYR A 71 -7.134 8.624 -10.212 1.00 42.51 C ATOM 994 C TYR A 71 -6.851 7.127 -10.284 1.00 30.51 C ATOM 995 O TYR A 71 -6.846 6.435 -9.266 1.00 55.21 O ATOM 996 CB TYR A 71 -5.888 9.410 -10.619 1.00 11.44 C ATOM 997 CG TYR A 71 -4.825 9.459 -9.545 1.00 55.33 C ATOM 998 CD1 TYR A 71 -4.337 8.293 -8.969 1.00 31.45 C ATOM 999 CD2 TYR A 71 -4.308 10.672 -9.105 1.00 1.22 C ATOM 1000 CE1 TYR A 71 -3.367 8.332 -7.987 1.00 54.51 C ATOM 1001 CE2 TYR A 71 -3.336 10.721 -8.125 1.00 62.33 C ATOM 1002 CZ TYR A 71 -2.869 9.548 -7.568 1.00 32.13 C ATOM 1003 OH TYR A 71 -1.902 9.593 -6.591 1.00 71.42 O ATOM 0 H TYR A 71 -6.980 8.636 -8.120 1.00 34.14 H new ATOM 0 HA TYR A 71 -7.943 8.856 -10.904 1.00 42.51 H new ATOM 0 HB2 TYR A 71 -5.464 8.962 -11.518 1.00 11.44 H new ATOM 0 HB3 TYR A 71 -6.179 10.428 -10.877 1.00 11.44 H new ATOM 0 HD1 TYR A 71 -4.723 7.339 -9.295 1.00 31.45 H new ATOM 0 HD2 TYR A 71 -4.673 11.592 -9.537 1.00 1.22 H new ATOM 0 HE1 TYR A 71 -3.000 7.415 -7.549 1.00 54.51 H new ATOM 0 HE2 TYR A 71 -2.944 11.672 -7.796 1.00 62.33 H new ATOM 0 HH TYR A 71 -1.660 10.526 -6.413 1.00 71.42 H new ATOM 1012 N SER A 72 -6.614 6.634 -11.496 1.00 64.34 N ATOM 1013 CA SER A 72 -6.332 5.218 -11.704 1.00 63.15 C ATOM 1014 C SER A 72 -4.941 4.860 -11.191 1.00 13.23 C ATOM 1015 O SER A 72 -4.037 5.696 -11.138 1.00 33.41 O ATOM 1016 CB SER A 72 -6.449 4.866 -13.187 1.00 53.10 C ATOM 1017 OG SER A 72 -5.640 5.720 -13.979 1.00 61.32 O ATOM 0 H SER A 72 -6.612 7.194 -12.348 1.00 64.34 H new ATOM 0 HA SER A 72 -7.066 4.640 -11.143 1.00 63.15 H new ATOM 0 HB2 SER A 72 -6.150 3.829 -13.343 1.00 53.10 H new ATOM 0 HB3 SER A 72 -7.489 4.949 -13.503 1.00 53.10 H new ATOM 0 HG SER A 72 -5.731 5.474 -14.923 1.00 61.32 H new ATOM 1022 N PRO A 73 -4.762 3.589 -10.805 1.00 32.21 N ATOM 1023 CA PRO A 73 -3.482 3.090 -10.290 1.00 22.04 C ATOM 1024 C PRO A 73 -2.412 3.014 -11.373 1.00 21.15 C ATOM 1025 O PRO A 73 -2.698 2.777 -12.547 1.00 21.42 O ATOM 1026 CB PRO A 73 -3.828 1.688 -9.780 1.00 14.12 C ATOM 1027 CG PRO A 73 -5.019 1.279 -10.576 1.00 21.31 C ATOM 1028 CD PRO A 73 -5.794 2.539 -10.840 1.00 11.21 C ATOM 0 HA PRO A 73 -3.066 3.746 -9.525 1.00 22.04 H new ATOM 0 HB2 PRO A 73 -2.998 0.997 -9.927 1.00 14.12 H new ATOM 0 HB3 PRO A 73 -4.050 1.698 -8.713 1.00 14.12 H new ATOM 0 HG2 PRO A 73 -4.719 0.803 -11.509 1.00 21.31 H new ATOM 0 HG3 PRO A 73 -5.624 0.556 -10.029 1.00 21.31 H new ATOM 0 HD2 PRO A 73 -6.300 2.505 -11.805 1.00 11.21 H new ATOM 0 HD3 PRO A 73 -6.561 2.705 -10.084 1.00 11.21 H new ATOM 1033 N PRO A 74 -1.148 3.219 -10.973 1.00 2.03 N ATOM 1034 CA PRO A 74 -0.009 3.177 -11.896 1.00 44.43 C ATOM 1035 C PRO A 74 0.276 1.768 -12.401 1.00 63.43 C ATOM 1036 O PRO A 74 0.011 0.774 -11.724 1.00 15.12 O ATOM 1037 CB PRO A 74 1.155 3.686 -11.043 1.00 40.24 C ATOM 1038 CG PRO A 74 0.763 3.375 -9.640 1.00 23.32 C ATOM 1039 CD PRO A 74 -0.734 3.507 -9.590 1.00 11.12 C ATOM 0 HA PRO A 74 -0.189 3.768 -12.794 1.00 44.43 H new ATOM 0 HB2 PRO A 74 2.088 3.191 -11.312 1.00 40.24 H new ATOM 0 HB3 PRO A 74 1.310 4.756 -11.183 1.00 40.24 H new ATOM 0 HG2 PRO A 74 1.076 2.369 -9.361 1.00 23.32 H new ATOM 0 HG3 PRO A 74 1.239 4.062 -8.940 1.00 23.32 H new ATOM 0 HD2 PRO A 74 -1.176 2.804 -8.884 1.00 11.12 H new ATOM 0 HD3 PRO A 74 -1.039 4.506 -9.279 1.00 11.12 H new ATOM 1044 N PRO A 75 0.830 1.676 -13.619 1.00 42.13 N ATOM 1045 CA PRO A 75 1.165 0.392 -14.242 1.00 63.12 C ATOM 1046 C PRO A 75 2.334 -0.301 -13.549 1.00 14.04 C ATOM 1047 O PRO A 75 3.409 0.274 -13.371 1.00 64.25 O ATOM 1048 CB PRO A 75 1.544 0.779 -15.673 1.00 1.10 C ATOM 1049 CG PRO A 75 1.996 2.195 -15.575 1.00 14.21 C ATOM 1050 CD PRO A 75 1.173 2.819 -14.482 1.00 62.32 C ATOM 0 HA PRO A 75 0.339 -0.317 -14.183 1.00 63.12 H new ATOM 0 HB2 PRO A 75 2.335 0.137 -16.061 1.00 1.10 H new ATOM 0 HB3 PRO A 75 0.694 0.681 -16.348 1.00 1.10 H new ATOM 0 HG2 PRO A 75 3.059 2.250 -15.342 1.00 14.21 H new ATOM 0 HG3 PRO A 75 1.849 2.718 -16.520 1.00 14.21 H new ATOM 0 HD2 PRO A 75 1.736 3.578 -13.939 1.00 62.32 H new ATOM 0 HD3 PRO A 75 0.282 3.305 -14.878 1.00 62.32 H new ATOM 1055 N PRO A 76 2.124 -1.564 -13.152 1.00 42.22 N ATOM 1056 CA PRO A 76 3.150 -2.362 -12.475 1.00 15.31 C ATOM 1057 C PRO A 76 4.297 -2.743 -13.405 1.00 3.51 C ATOM 1058 O PRO A 76 4.231 -2.554 -14.621 1.00 60.44 O ATOM 1059 CB PRO A 76 2.389 -3.612 -12.026 1.00 31.44 C ATOM 1060 CG PRO A 76 1.247 -3.722 -12.977 1.00 34.41 C ATOM 1061 CD PRO A 76 0.868 -2.312 -13.334 1.00 40.01 C ATOM 0 HA PRO A 76 3.618 -1.814 -11.657 1.00 15.31 H new ATOM 0 HB2 PRO A 76 3.024 -4.497 -12.065 1.00 31.44 H new ATOM 0 HB3 PRO A 76 2.040 -3.515 -10.998 1.00 31.44 H new ATOM 0 HG2 PRO A 76 1.532 -4.286 -13.865 1.00 34.41 H new ATOM 0 HG3 PRO A 76 0.408 -4.248 -12.521 1.00 34.41 H new ATOM 0 HD2 PRO A 76 0.503 -2.241 -14.359 1.00 40.01 H new ATOM 0 HD3 PRO A 76 0.077 -1.933 -12.687 1.00 40.01 H new ATOM 1066 N PRO A 77 5.374 -3.291 -12.824 1.00 13.21 N ATOM 1067 CA PRO A 77 6.556 -3.710 -13.584 1.00 52.20 C ATOM 1068 C PRO A 77 6.282 -4.931 -14.455 1.00 61.55 C ATOM 1069 O PRO A 77 7.206 -5.636 -14.862 1.00 52.44 O ATOM 1070 CB PRO A 77 7.576 -4.048 -12.495 1.00 55.42 C ATOM 1071 CG PRO A 77 6.756 -4.400 -11.303 1.00 51.12 C ATOM 1072 CD PRO A 77 5.522 -3.544 -11.382 1.00 45.14 C ATOM 0 HA PRO A 77 6.891 -2.937 -14.276 1.00 52.20 H new ATOM 0 HB2 PRO A 77 8.215 -4.879 -12.795 1.00 55.42 H new ATOM 0 HB3 PRO A 77 8.230 -3.201 -12.289 1.00 55.42 H new ATOM 0 HG2 PRO A 77 6.497 -5.459 -11.306 1.00 51.12 H new ATOM 0 HG3 PRO A 77 7.305 -4.209 -10.381 1.00 51.12 H new ATOM 0 HD2 PRO A 77 4.651 -4.056 -10.972 1.00 45.14 H new ATOM 0 HD3 PRO A 77 5.640 -2.617 -10.821 1.00 45.14 H new