USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 33 ASN : amide:sc= 1.6 K(o=2.8,f=-0.47) USER MOD Set 1.2: A 34 GLN : amide:sc= 1.15 K(o=2.8,f=0.61) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.394 USER MOD Set 2.2: A 65 TYR OH : rot -4:sc= 0.438 USER MOD Single : A 4 THR OG1 : rot 40:sc= 0.0691 USER MOD Single : A 6 TYR OH : rot 171:sc= 0.598 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.494) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 167:sc= 0 (180deg=-0.107) USER MOD Single : A 15 CYS SG : rot 28:sc= 0.0903 USER MOD Single : A 21 LYS NZ :NH3+ 136:sc= 0.932 (180deg=-3!) USER MOD Single : A 24 ASN : amide:sc= 1.74 K(o=1.7,f=-4!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.112 F(o=-0.81,f=-0.11) USER MOD Single : A 36 GLN : amide:sc= 0.26 X(o=0.26,f=-0.098) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.338 K(o=0.34,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc=-0.00886 (180deg=-0.163) USER MOD Single : A 66 SER OG : rot 180:sc= -0.245 USER MOD Single : A 71 GLN : amide:sc= -0.99 X(o=-0.99,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.001 3.174 -12.613 1.00 1.03 N ATOM 20 CA THR A 4 -5.674 1.975 -12.160 1.00 0.85 C ATOM 21 C THR A 4 -5.476 1.896 -10.663 1.00 0.75 C ATOM 22 O THR A 4 -4.544 2.484 -10.109 1.00 0.76 O ATOM 23 CB THR A 4 -5.191 0.736 -12.929 1.00 1.16 C ATOM 24 OG1 THR A 4 -5.649 0.909 -14.238 1.00 1.85 O ATOM 25 CG2 THR A 4 -5.758 -0.593 -12.419 1.00 1.41 C ATOM 0 HA THR A 4 -6.743 2.011 -12.367 1.00 0.85 H new ATOM 0 HB THR A 4 -4.109 0.669 -12.819 1.00 1.16 H new ATOM 0 HG1 THR A 4 -5.543 1.847 -14.500 1.00 1.85 H new ATOM 0 HG21 THR A 4 -5.363 -1.412 -13.020 1.00 1.41 H new ATOM 0 HG22 THR A 4 -5.470 -0.736 -11.378 1.00 1.41 H new ATOM 0 HG23 THR A 4 -6.845 -0.578 -12.496 1.00 1.41 H new ATOM 33 N ARG A 5 -6.431 1.223 -10.034 1.00 0.64 N ATOM 34 CA ARG A 5 -6.531 1.083 -8.611 1.00 0.51 C ATOM 35 C ARG A 5 -6.007 -0.294 -8.233 1.00 0.60 C ATOM 36 O ARG A 5 -6.621 -1.309 -8.549 1.00 1.06 O ATOM 37 CB ARG A 5 -7.997 1.228 -8.228 1.00 0.55 C ATOM 38 CG ARG A 5 -8.102 1.112 -6.713 1.00 0.65 C ATOM 39 CD ARG A 5 -9.561 1.051 -6.307 1.00 0.90 C ATOM 40 NE ARG A 5 -10.139 2.401 -6.278 1.00 1.68 N ATOM 41 CZ ARG A 5 -11.417 2.642 -5.950 1.00 2.36 C ATOM 42 NH1 ARG A 5 -12.252 1.614 -5.756 1.00 2.50 N ATOM 43 NH2 ARG A 5 -11.852 3.898 -5.814 1.00 3.57 N ATOM 0 H ARG A 5 -7.181 0.745 -10.534 1.00 0.64 H new ATOM 0 HA ARG A 5 -5.948 1.840 -8.087 1.00 0.51 H new ATOM 0 HB2 ARG A 5 -8.385 2.189 -8.564 1.00 0.55 H new ATOM 0 HB3 ARG A 5 -8.595 0.456 -8.712 1.00 0.55 H new ATOM 0 HG2 ARG A 5 -7.581 0.218 -6.370 1.00 0.65 H new ATOM 0 HG3 ARG A 5 -7.618 1.965 -6.238 1.00 0.65 H new ATOM 0 HD2 ARG A 5 -10.115 0.426 -7.008 1.00 0.90 H new ATOM 0 HD3 ARG A 5 -9.653 0.587 -5.325 1.00 0.90 H new ATOM 0 HE ARG A 5 -9.541 3.192 -6.518 1.00 1.68 H new ATOM 0 HH11 ARG A 5 -11.915 0.657 -5.858 1.00 2.50 H new ATOM 0 HH12 ARG A 5 -13.226 1.788 -5.506 1.00 2.50 H new ATOM 0 HH21 ARG A 5 -11.211 4.678 -5.960 1.00 3.57 H new ATOM 0 HH22 ARG A 5 -12.825 4.077 -5.564 1.00 3.57 H new ATOM 57 N TYR A 6 -4.902 -0.312 -7.508 1.00 0.38 N ATOM 58 CA TYR A 6 -4.281 -1.515 -6.985 1.00 0.41 C ATOM 59 C TYR A 6 -4.723 -1.765 -5.555 1.00 0.36 C ATOM 60 O TYR A 6 -4.480 -0.906 -4.711 1.00 0.52 O ATOM 61 CB TYR A 6 -2.774 -1.346 -7.069 1.00 0.46 C ATOM 62 CG TYR A 6 -2.300 -0.736 -8.354 1.00 0.56 C ATOM 63 CD1 TYR A 6 -2.676 -1.343 -9.562 1.00 1.46 C ATOM 64 CD2 TYR A 6 -1.822 0.580 -8.336 1.00 1.99 C ATOM 65 CE1 TYR A 6 -2.582 -0.616 -10.762 1.00 1.39 C ATOM 66 CE2 TYR A 6 -1.800 1.320 -9.521 1.00 2.18 C ATOM 67 CZ TYR A 6 -2.112 0.711 -10.744 1.00 0.97 C ATOM 68 OH TYR A 6 -2.111 1.463 -11.881 1.00 1.37 O ATOM 0 H TYR A 6 -4.397 0.538 -7.260 1.00 0.38 H new ATOM 0 HA TYR A 6 -4.586 -2.381 -7.573 1.00 0.41 H new ATOM 0 HB2 TYR A 6 -2.442 -0.723 -6.239 1.00 0.46 H new ATOM 0 HB3 TYR A 6 -2.302 -2.321 -6.945 1.00 0.46 H new ATOM 0 HD1 TYR A 6 -3.035 -2.362 -9.570 1.00 1.46 H new ATOM 0 HD2 TYR A 6 -1.473 1.020 -7.413 1.00 1.99 H new ATOM 0 HE1 TYR A 6 -2.870 -1.075 -11.696 1.00 1.39 H new ATOM 0 HE2 TYR A 6 -1.541 2.368 -9.494 1.00 2.18 H new ATOM 0 HH TYR A 6 -1.890 2.391 -11.659 1.00 1.37 H new ATOM 78 N SER A 7 -5.341 -2.925 -5.283 1.00 0.30 N ATOM 79 CA SER A 7 -5.716 -3.327 -3.929 1.00 0.33 C ATOM 80 C SER A 7 -4.669 -4.287 -3.359 1.00 0.35 C ATOM 81 O SER A 7 -4.000 -4.976 -4.129 1.00 0.37 O ATOM 82 CB SER A 7 -7.104 -3.980 -3.921 1.00 0.38 C ATOM 83 OG SER A 7 -8.035 -3.185 -4.636 1.00 1.82 O ATOM 0 H SER A 7 -5.592 -3.607 -5.999 1.00 0.30 H new ATOM 0 HA SER A 7 -5.757 -2.437 -3.301 1.00 0.33 H new ATOM 0 HB2 SER A 7 -7.047 -4.973 -4.368 1.00 0.38 H new ATOM 0 HB3 SER A 7 -7.444 -4.112 -2.894 1.00 0.38 H new ATOM 0 HG SER A 7 -8.914 -3.618 -4.622 1.00 1.82 H new ATOM 89 N TRP A 8 -4.502 -4.330 -2.031 1.00 0.37 N ATOM 90 CA TRP A 8 -3.880 -5.454 -1.342 1.00 0.47 C ATOM 91 C TRP A 8 -4.541 -5.705 0.014 1.00 0.50 C ATOM 92 O TRP A 8 -5.248 -4.832 0.527 1.00 0.52 O ATOM 93 CB TRP A 8 -2.384 -5.263 -1.121 1.00 0.47 C ATOM 94 CG TRP A 8 -1.512 -4.749 -2.211 1.00 0.49 C ATOM 95 CD1 TRP A 8 -0.451 -5.371 -2.736 1.00 0.61 C ATOM 96 CD2 TRP A 8 -1.435 -3.433 -2.786 1.00 0.48 C ATOM 97 NE1 TRP A 8 0.421 -4.358 -3.159 1.00 0.84 N ATOM 98 CE2 TRP A 8 -0.069 -3.085 -2.825 1.00 0.93 C ATOM 99 CE3 TRP A 8 -2.072 -2.864 -3.903 1.00 0.72 C ATOM 100 CZ2 TRP A 8 0.173 -1.778 -3.328 1.00 1.22 C ATOM 101 CZ3 TRP A 8 -1.212 -2.482 -4.991 1.00 0.69 C ATOM 102 CH2 TRP A 8 -0.131 -1.677 -4.668 1.00 0.67 C ATOM 0 H TRP A 8 -4.798 -3.580 -1.407 1.00 0.37 H new ATOM 0 HA TRP A 8 -4.024 -6.313 -1.998 1.00 0.47 H new ATOM 0 HB2 TRP A 8 -2.269 -4.587 -0.274 1.00 0.47 H new ATOM 0 HB3 TRP A 8 -1.980 -6.228 -0.816 1.00 0.47 H new ATOM 0 HD1 TRP A 8 -0.297 -6.437 -2.818 1.00 0.61 H new ATOM 0 HE1 TRP A 8 1.301 -4.525 -3.648 1.00 0.84 H new ATOM 0 HE3 TRP A 8 -3.142 -2.722 -3.942 1.00 0.72 H new ATOM 0 HZ2 TRP A 8 0.550 -0.961 -2.731 1.00 1.22 H new ATOM 0 HZ3 TRP A 8 -1.399 -2.805 -6.005 1.00 0.69 H new ATOM 0 HH2 TRP A 8 0.401 -1.054 -5.372 1.00 0.67 H new ATOM 113 N LYS A 9 -4.199 -6.851 0.623 1.00 0.56 N ATOM 114 CA LYS A 9 -4.522 -7.227 1.984 1.00 0.65 C ATOM 115 C LYS A 9 -3.224 -7.095 2.782 1.00 0.68 C ATOM 116 O LYS A 9 -2.207 -7.624 2.342 1.00 0.88 O ATOM 117 CB LYS A 9 -5.098 -8.658 2.002 1.00 0.87 C ATOM 118 CG LYS A 9 -4.203 -9.796 1.465 1.00 2.03 C ATOM 119 CD LYS A 9 -4.464 -10.082 -0.018 1.00 1.58 C ATOM 120 CE LYS A 9 -5.560 -11.147 -0.161 1.00 1.27 C ATOM 121 NZ LYS A 9 -6.053 -11.232 -1.545 1.00 2.00 N ATOM 0 H LYS A 9 -3.660 -7.571 0.142 1.00 0.56 H new ATOM 0 HA LYS A 9 -5.287 -6.590 2.429 1.00 0.65 H new ATOM 0 HB2 LYS A 9 -5.367 -8.899 3.030 1.00 0.87 H new ATOM 0 HB3 LYS A 9 -6.022 -8.656 1.423 1.00 0.87 H new ATOM 0 HG2 LYS A 9 -3.155 -9.529 1.604 1.00 2.03 H new ATOM 0 HG3 LYS A 9 -4.381 -10.701 2.045 1.00 2.03 H new ATOM 0 HD2 LYS A 9 -4.767 -9.166 -0.526 1.00 1.58 H new ATOM 0 HD3 LYS A 9 -3.547 -10.425 -0.498 1.00 1.58 H new ATOM 0 HE2 LYS A 9 -5.169 -12.117 0.147 1.00 1.27 H new ATOM 0 HE3 LYS A 9 -6.388 -10.910 0.507 1.00 1.27 H new ATOM 0 HZ1 LYS A 9 -6.551 -12.135 -1.681 1.00 2.00 H new ATOM 0 HZ2 LYS A 9 -6.707 -10.445 -1.730 1.00 2.00 H new ATOM 0 HZ3 LYS A 9 -5.250 -11.177 -2.204 1.00 2.00 H new ATOM 135 N VAL A 10 -3.211 -6.346 3.885 1.00 0.66 N ATOM 136 CA VAL A 10 -1.993 -5.970 4.587 1.00 0.79 C ATOM 137 C VAL A 10 -2.011 -6.504 6.019 1.00 1.06 C ATOM 138 O VAL A 10 -2.428 -5.831 6.961 1.00 2.29 O ATOM 139 CB VAL A 10 -1.834 -4.451 4.507 1.00 0.80 C ATOM 140 CG1 VAL A 10 -0.407 -4.088 4.902 1.00 1.04 C ATOM 141 CG2 VAL A 10 -2.060 -3.979 3.071 1.00 0.57 C ATOM 0 H VAL A 10 -4.059 -5.981 4.318 1.00 0.66 H new ATOM 0 HA VAL A 10 -1.120 -6.422 4.116 1.00 0.79 H new ATOM 0 HB VAL A 10 -2.558 -3.979 5.171 1.00 0.80 H new ATOM 0 HG11 VAL A 10 -0.279 -3.007 4.850 1.00 1.04 H new ATOM 0 HG12 VAL A 10 -0.214 -4.427 5.920 1.00 1.04 H new ATOM 0 HG13 VAL A 10 0.293 -4.570 4.220 1.00 1.04 H new ATOM 0 HG21 VAL A 10 -1.945 -2.896 3.022 1.00 0.57 H new ATOM 0 HG22 VAL A 10 -1.330 -4.452 2.414 1.00 0.57 H new ATOM 0 HG23 VAL A 10 -3.066 -4.252 2.752 1.00 0.57 H new ATOM 151 N SER A 11 -1.521 -7.730 6.186 1.00 0.31 N ATOM 152 CA SER A 11 -1.756 -8.533 7.372 1.00 0.47 C ATOM 153 C SER A 11 -0.768 -8.099 8.448 1.00 0.54 C ATOM 154 O SER A 11 0.282 -8.713 8.634 1.00 0.87 O ATOM 155 CB SER A 11 -1.642 -10.021 7.013 1.00 0.70 C ATOM 156 OG SER A 11 -2.076 -10.835 8.085 1.00 0.98 O ATOM 0 H SER A 11 -0.941 -8.196 5.488 1.00 0.31 H new ATOM 0 HA SER A 11 -2.762 -8.384 7.764 1.00 0.47 H new ATOM 0 HB2 SER A 11 -2.240 -10.232 6.126 1.00 0.70 H new ATOM 0 HB3 SER A 11 -0.608 -10.261 6.765 1.00 0.70 H new ATOM 0 HG SER A 11 -1.996 -11.779 7.833 1.00 0.98 H new ATOM 162 N GLY A 12 -1.116 -7.008 9.130 1.00 0.56 N ATOM 163 CA GLY A 12 -0.299 -6.399 10.166 1.00 0.64 C ATOM 164 C GLY A 12 -0.555 -4.897 10.276 1.00 0.74 C ATOM 165 O GLY A 12 -0.291 -4.306 11.323 1.00 0.87 O ATOM 0 H GLY A 12 -1.995 -6.516 8.970 1.00 0.56 H new ATOM 0 HA2 GLY A 12 -0.510 -6.875 11.123 1.00 0.64 H new ATOM 0 HA3 GLY A 12 0.755 -6.574 9.949 1.00 0.64 H new ATOM 169 N MET A 13 -1.049 -4.256 9.210 1.00 0.79 N ATOM 170 CA MET A 13 -1.282 -2.819 9.242 1.00 0.90 C ATOM 171 C MET A 13 -2.506 -2.469 10.102 1.00 0.97 C ATOM 172 O MET A 13 -3.539 -2.107 9.546 1.00 1.33 O ATOM 173 CB MET A 13 -1.432 -2.316 7.800 1.00 1.05 C ATOM 174 CG MET A 13 -1.521 -0.786 7.713 1.00 1.51 C ATOM 175 SD MET A 13 -2.380 -0.121 6.260 1.00 1.84 S ATOM 176 CE MET A 13 -4.090 -0.588 6.621 1.00 2.10 C ATOM 0 H MET A 13 -1.290 -4.708 8.328 1.00 0.79 H new ATOM 0 HA MET A 13 -0.432 -2.320 9.707 1.00 0.90 H new ATOM 0 HB2 MET A 13 -0.583 -2.661 7.209 1.00 1.05 H new ATOM 0 HB3 MET A 13 -2.327 -2.754 7.358 1.00 1.05 H new ATOM 0 HG2 MET A 13 -2.025 -0.420 8.607 1.00 1.51 H new ATOM 0 HG3 MET A 13 -0.509 -0.381 7.729 1.00 1.51 H new ATOM 0 HE1 MET A 13 -4.762 -0.056 5.947 1.00 2.10 H new ATOM 0 HE2 MET A 13 -4.211 -1.662 6.481 1.00 2.10 H new ATOM 0 HE3 MET A 13 -4.328 -0.327 7.652 1.00 2.10 H new ATOM 186 N ASP A 14 -2.376 -2.498 11.434 1.00 0.89 N ATOM 187 CA ASP A 14 -3.404 -2.014 12.360 1.00 0.93 C ATOM 188 C ASP A 14 -2.780 -1.285 13.560 1.00 0.89 C ATOM 189 O ASP A 14 -2.985 -1.649 14.714 1.00 1.19 O ATOM 190 CB ASP A 14 -4.337 -3.155 12.789 1.00 1.30 C ATOM 191 CG ASP A 14 -5.515 -2.635 13.613 1.00 1.87 C ATOM 192 OD1 ASP A 14 -5.974 -1.509 13.312 1.00 3.04 O ATOM 193 OD2 ASP A 14 -5.943 -3.374 14.526 1.00 2.54 O ATOM 0 H ASP A 14 -1.546 -2.862 11.902 1.00 0.89 H new ATOM 0 HA ASP A 14 -4.016 -1.280 11.835 1.00 0.93 H new ATOM 0 HB2 ASP A 14 -4.710 -3.673 11.906 1.00 1.30 H new ATOM 0 HB3 ASP A 14 -3.777 -3.885 13.374 1.00 1.30 H new ATOM 198 N CYS A 15 -2.004 -0.230 13.285 1.00 0.86 N ATOM 199 CA CYS A 15 -1.537 0.708 14.302 1.00 0.96 C ATOM 200 C CYS A 15 -1.453 2.108 13.702 1.00 1.17 C ATOM 201 O CYS A 15 -1.004 2.268 12.562 1.00 2.63 O ATOM 202 CB CYS A 15 -0.148 0.339 14.839 1.00 1.06 C ATOM 203 SG CYS A 15 -0.236 -0.769 16.269 1.00 2.04 S ATOM 0 H CYS A 15 -1.683 -0.005 12.343 1.00 0.86 H new ATOM 0 HA CYS A 15 -2.250 0.669 15.125 1.00 0.96 H new ATOM 0 HB2 CYS A 15 0.430 -0.138 14.048 1.00 1.06 H new ATOM 0 HB3 CYS A 15 0.384 1.248 15.119 1.00 1.06 H new ATOM 0 HG CYS A 15 -1.322 -1.481 16.200 1.00 2.04 H new ATOM 209 N ALA A 16 -1.830 3.121 14.495 1.00 0.74 N ATOM 210 CA ALA A 16 -1.793 4.539 14.150 1.00 0.86 C ATOM 211 C ALA A 16 -0.352 5.044 14.025 1.00 1.23 C ATOM 212 O ALA A 16 0.129 5.824 14.842 1.00 2.88 O ATOM 213 CB ALA A 16 -2.590 5.335 15.189 1.00 1.10 C ATOM 0 H ALA A 16 -2.185 2.960 15.438 1.00 0.74 H new ATOM 0 HA ALA A 16 -2.256 4.682 13.174 1.00 0.86 H new ATOM 0 HB1 ALA A 16 -2.564 6.394 14.934 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -3.624 4.989 15.198 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -2.150 5.188 16.175 1.00 1.10 H new ATOM 219 N ALA A 17 0.323 4.574 12.978 1.00 0.70 N ATOM 220 CA ALA A 17 1.758 4.681 12.738 1.00 0.68 C ATOM 221 C ALA A 17 2.123 3.830 11.521 1.00 0.58 C ATOM 222 O ALA A 17 2.891 4.275 10.661 1.00 0.58 O ATOM 223 CB ALA A 17 2.562 4.194 13.953 1.00 1.01 C ATOM 0 H ALA A 17 -0.151 4.075 12.225 1.00 0.70 H new ATOM 0 HA ALA A 17 2.003 5.728 12.561 1.00 0.68 H new ATOM 0 HB1 ALA A 17 3.628 4.286 13.744 1.00 1.01 H new ATOM 0 HB2 ALA A 17 2.309 4.800 14.823 1.00 1.01 H new ATOM 0 HB3 ALA A 17 2.320 3.150 14.155 1.00 1.01 H new ATOM 229 N CYS A 18 1.571 2.611 11.456 1.00 0.59 N ATOM 230 CA CYS A 18 1.797 1.666 10.382 1.00 0.59 C ATOM 231 C CYS A 18 1.108 2.201 9.147 1.00 0.48 C ATOM 232 O CYS A 18 1.734 2.303 8.098 1.00 0.43 O ATOM 233 CB CYS A 18 1.249 0.283 10.752 1.00 0.79 C ATOM 234 SG CYS A 18 2.446 -0.581 11.795 1.00 1.77 S ATOM 0 H CYS A 18 0.939 2.256 12.174 1.00 0.59 H new ATOM 0 HA CYS A 18 2.865 1.551 10.199 1.00 0.59 H new ATOM 0 HB2 CYS A 18 0.300 0.385 11.278 1.00 0.79 H new ATOM 0 HB3 CYS A 18 1.053 -0.296 9.849 1.00 0.79 H new ATOM 0 HG CYS A 18 1.981 -1.753 12.110 1.00 1.77 H new ATOM 240 N ALA A 19 -0.159 2.609 9.289 1.00 0.60 N ATOM 241 CA ALA A 19 -0.894 3.190 8.177 1.00 0.61 C ATOM 242 C ALA A 19 -0.091 4.307 7.513 1.00 0.50 C ATOM 243 O ALA A 19 0.092 4.313 6.297 1.00 0.53 O ATOM 244 CB ALA A 19 -2.270 3.690 8.613 1.00 0.74 C ATOM 0 H ALA A 19 -0.687 2.545 10.159 1.00 0.60 H new ATOM 0 HA ALA A 19 -1.050 2.402 7.441 1.00 0.61 H new ATOM 0 HB1 ALA A 19 -2.790 4.118 7.756 1.00 0.74 H new ATOM 0 HB2 ALA A 19 -2.850 2.858 9.011 1.00 0.74 H new ATOM 0 HB3 ALA A 19 -2.153 4.452 9.383 1.00 0.74 H new ATOM 250 N ARG A 20 0.459 5.219 8.322 1.00 0.45 N ATOM 251 CA ARG A 20 1.314 6.244 7.787 1.00 0.38 C ATOM 252 C ARG A 20 2.520 5.617 7.094 1.00 0.29 C ATOM 253 O ARG A 20 2.893 6.013 5.998 1.00 0.35 O ATOM 254 CB ARG A 20 1.763 7.245 8.834 1.00 0.49 C ATOM 255 CG ARG A 20 0.601 8.041 9.442 1.00 0.59 C ATOM 256 CD ARG A 20 1.022 8.600 10.807 1.00 0.80 C ATOM 257 NE ARG A 20 0.104 9.654 11.277 1.00 1.12 N ATOM 258 CZ ARG A 20 0.211 10.962 10.982 1.00 2.00 C ATOM 259 NH1 ARG A 20 1.143 11.376 10.116 1.00 3.31 N ATOM 260 NH2 ARG A 20 -0.610 11.850 11.554 1.00 2.54 N ATOM 0 H ARG A 20 0.321 5.256 9.332 1.00 0.45 H new ATOM 0 HA ARG A 20 0.724 6.800 7.058 1.00 0.38 H new ATOM 0 HB2 ARG A 20 2.290 6.718 9.629 1.00 0.49 H new ATOM 0 HB3 ARG A 20 2.474 7.938 8.384 1.00 0.49 H new ATOM 0 HG2 ARG A 20 0.316 8.855 8.776 1.00 0.59 H new ATOM 0 HG3 ARG A 20 -0.274 7.400 9.554 1.00 0.59 H new ATOM 0 HD2 ARG A 20 1.050 7.791 11.537 1.00 0.80 H new ATOM 0 HD3 ARG A 20 2.032 9.003 10.738 1.00 0.80 H new ATOM 0 HE ARG A 20 -0.673 9.369 11.873 1.00 1.12 H new ATOM 0 HH11 ARG A 20 1.771 10.700 9.681 1.00 3.31 H new ATOM 0 HH12 ARG A 20 1.226 12.367 9.891 1.00 3.31 H new ATOM 0 HH21 ARG A 20 -1.320 11.536 12.216 1.00 2.54 H new ATOM 0 HH22 ARG A 20 -0.526 12.841 11.328 1.00 2.54 H new ATOM 274 N LYS A 21 3.186 4.667 7.747 1.00 0.29 N ATOM 275 CA LYS A 21 4.358 4.035 7.156 1.00 0.26 C ATOM 276 C LYS A 21 4.030 3.531 5.746 1.00 0.31 C ATOM 277 O LYS A 21 4.775 3.822 4.816 1.00 0.45 O ATOM 278 CB LYS A 21 4.882 2.926 8.077 1.00 0.31 C ATOM 279 CG LYS A 21 6.354 3.089 8.491 1.00 0.81 C ATOM 280 CD LYS A 21 6.573 3.727 9.876 1.00 1.02 C ATOM 281 CE LYS A 21 6.427 5.251 9.959 1.00 2.42 C ATOM 282 NZ LYS A 21 5.029 5.695 9.817 1.00 4.05 N ATOM 0 H LYS A 21 2.936 4.323 8.674 1.00 0.29 H new ATOM 0 HA LYS A 21 5.159 4.767 7.054 1.00 0.26 H new ATOM 0 HB2 LYS A 21 4.266 2.895 8.975 1.00 0.31 H new ATOM 0 HB3 LYS A 21 4.762 1.966 7.575 1.00 0.31 H new ATOM 0 HG2 LYS A 21 6.830 2.108 8.480 1.00 0.81 H new ATOM 0 HG3 LYS A 21 6.861 3.698 7.743 1.00 0.81 H new ATOM 0 HD2 LYS A 21 5.866 3.278 10.574 1.00 1.02 H new ATOM 0 HD3 LYS A 21 7.573 3.461 10.220 1.00 1.02 H new ATOM 0 HE2 LYS A 21 6.819 5.598 10.915 1.00 2.42 H new ATOM 0 HE3 LYS A 21 7.032 5.713 9.179 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 4.823 6.426 10.528 1.00 4.05 H new ATOM 0 HZ2 LYS A 21 4.884 6.088 8.865 1.00 4.05 H new ATOM 0 HZ3 LYS A 21 4.392 4.885 9.958 1.00 4.05 H new ATOM 296 N VAL A 22 2.892 2.857 5.573 1.00 0.36 N ATOM 297 CA VAL A 22 2.429 2.433 4.272 1.00 0.51 C ATOM 298 C VAL A 22 2.243 3.627 3.342 1.00 0.45 C ATOM 299 O VAL A 22 2.853 3.668 2.277 1.00 0.59 O ATOM 300 CB VAL A 22 1.079 1.725 4.405 1.00 0.65 C ATOM 301 CG1 VAL A 22 0.586 1.308 3.021 1.00 0.94 C ATOM 302 CG2 VAL A 22 1.127 0.475 5.286 1.00 0.59 C ATOM 0 H VAL A 22 2.272 2.594 6.339 1.00 0.36 H new ATOM 0 HA VAL A 22 3.179 1.759 3.858 1.00 0.51 H new ATOM 0 HB VAL A 22 0.406 2.439 4.880 1.00 0.65 H new ATOM 0 HG11 VAL A 22 -0.376 0.803 3.114 1.00 0.94 H new ATOM 0 HG12 VAL A 22 0.473 2.192 2.393 1.00 0.94 H new ATOM 0 HG13 VAL A 22 1.309 0.630 2.566 1.00 0.94 H new ATOM 0 HG21 VAL A 22 0.135 0.026 5.334 1.00 0.59 H new ATOM 0 HG22 VAL A 22 1.830 -0.242 4.862 1.00 0.59 H new ATOM 0 HG23 VAL A 22 1.450 0.750 6.290 1.00 0.59 H new ATOM 312 N GLU A 23 1.344 4.553 3.691 1.00 0.30 N ATOM 313 CA GLU A 23 0.900 5.551 2.733 1.00 0.28 C ATOM 314 C GLU A 23 2.139 6.313 2.298 1.00 0.34 C ATOM 315 O GLU A 23 2.395 6.491 1.121 1.00 0.37 O ATOM 316 CB GLU A 23 -0.205 6.461 3.300 1.00 0.38 C ATOM 317 CG GLU A 23 0.332 7.347 4.421 1.00 0.37 C ATOM 318 CD GLU A 23 -0.722 8.215 5.090 1.00 0.73 C ATOM 319 OE1 GLU A 23 -1.374 7.705 6.025 1.00 2.20 O ATOM 320 OE2 GLU A 23 -0.796 9.395 4.690 1.00 1.36 O ATOM 0 H GLU A 23 0.920 4.626 4.616 1.00 0.30 H new ATOM 0 HA GLU A 23 0.430 5.078 1.871 1.00 0.28 H new ATOM 0 HB2 GLU A 23 -0.611 7.084 2.503 1.00 0.38 H new ATOM 0 HB3 GLU A 23 -1.025 5.850 3.677 1.00 0.38 H new ATOM 0 HG2 GLU A 23 0.799 6.715 5.176 1.00 0.37 H new ATOM 0 HG3 GLU A 23 1.113 7.991 4.017 1.00 0.37 H new ATOM 327 N ASN A 24 2.987 6.683 3.251 1.00 0.41 N ATOM 328 CA ASN A 24 4.201 7.410 2.967 1.00 0.56 C ATOM 329 C ASN A 24 5.166 6.534 2.149 1.00 0.58 C ATOM 330 O ASN A 24 5.767 7.025 1.191 1.00 0.67 O ATOM 331 CB ASN A 24 4.772 7.934 4.284 1.00 0.72 C ATOM 332 CG ASN A 24 3.909 9.063 4.865 1.00 0.81 C ATOM 333 OD1 ASN A 24 4.091 10.236 4.544 1.00 1.17 O ATOM 334 ND2 ASN A 24 2.937 8.715 5.700 1.00 0.61 N ATOM 0 H ASN A 24 2.844 6.483 4.241 1.00 0.41 H new ATOM 0 HA ASN A 24 4.011 8.280 2.339 1.00 0.56 H new ATOM 0 HB2 ASN A 24 4.837 7.118 5.003 1.00 0.72 H new ATOM 0 HB3 ASN A 24 5.787 8.297 4.122 1.00 0.72 H new ATOM 0 HD21 ASN A 24 2.321 9.428 6.091 1.00 0.61 H new ATOM 0 HD22 ASN A 24 2.807 7.735 5.951 1.00 0.61 H new ATOM 341 N ALA A 25 5.261 5.230 2.454 1.00 0.58 N ATOM 342 CA ALA A 25 5.978 4.267 1.613 1.00 0.67 C ATOM 343 C ALA A 25 5.412 4.177 0.191 1.00 0.47 C ATOM 344 O ALA A 25 6.105 3.714 -0.711 1.00 0.47 O ATOM 345 CB ALA A 25 6.043 2.883 2.265 1.00 0.84 C ATOM 0 H ALA A 25 4.843 4.818 3.288 1.00 0.58 H new ATOM 0 HA ALA A 25 6.995 4.648 1.523 1.00 0.67 H new ATOM 0 HB1 ALA A 25 6.582 2.198 1.611 1.00 0.84 H new ATOM 0 HB2 ALA A 25 6.561 2.955 3.221 1.00 0.84 H new ATOM 0 HB3 ALA A 25 5.032 2.510 2.428 1.00 0.84 H new ATOM 351 N VAL A 26 4.174 4.621 -0.026 1.00 0.35 N ATOM 352 CA VAL A 26 3.576 4.757 -1.345 1.00 0.32 C ATOM 353 C VAL A 26 3.906 6.151 -1.917 1.00 0.25 C ATOM 354 O VAL A 26 4.350 6.284 -3.054 1.00 0.25 O ATOM 355 CB VAL A 26 2.065 4.463 -1.234 1.00 0.47 C ATOM 356 CG1 VAL A 26 1.354 4.584 -2.575 1.00 1.52 C ATOM 357 CG2 VAL A 26 1.780 3.083 -0.620 1.00 1.56 C ATOM 0 H VAL A 26 3.549 4.901 0.730 1.00 0.35 H new ATOM 0 HA VAL A 26 3.988 4.036 -2.052 1.00 0.32 H new ATOM 0 HB VAL A 26 1.669 5.225 -0.563 1.00 0.47 H new ATOM 0 HG11 VAL A 26 0.294 4.368 -2.445 1.00 1.52 H new ATOM 0 HG12 VAL A 26 1.474 5.597 -2.960 1.00 1.52 H new ATOM 0 HG13 VAL A 26 1.785 3.874 -3.281 1.00 1.52 H new ATOM 0 HG21 VAL A 26 0.703 2.925 -0.564 1.00 1.56 H new ATOM 0 HG22 VAL A 26 2.228 2.308 -1.242 1.00 1.56 H new ATOM 0 HG23 VAL A 26 2.206 3.036 0.382 1.00 1.56 H new ATOM 367 N ARG A 27 3.728 7.220 -1.140 1.00 0.28 N ATOM 368 CA ARG A 27 3.889 8.582 -1.640 1.00 0.32 C ATOM 369 C ARG A 27 5.329 8.848 -2.068 1.00 0.31 C ATOM 370 O ARG A 27 5.569 9.643 -2.972 1.00 0.37 O ATOM 371 CB ARG A 27 3.443 9.616 -0.602 1.00 0.52 C ATOM 372 CG ARG A 27 1.960 9.429 -0.255 1.00 0.60 C ATOM 373 CD ARG A 27 1.320 10.603 0.482 1.00 1.09 C ATOM 374 NE ARG A 27 2.083 11.004 1.681 1.00 0.66 N ATOM 375 CZ ARG A 27 2.918 12.055 1.775 1.00 1.66 C ATOM 376 NH1 ARG A 27 3.120 12.865 0.728 1.00 3.31 N ATOM 377 NH2 ARG A 27 3.565 12.296 2.918 1.00 2.17 N ATOM 0 H ARG A 27 3.470 7.166 -0.155 1.00 0.28 H new ATOM 0 HA ARG A 27 3.247 8.681 -2.515 1.00 0.32 H new ATOM 0 HB2 ARG A 27 4.048 9.518 0.299 1.00 0.52 H new ATOM 0 HB3 ARG A 27 3.607 10.622 -0.989 1.00 0.52 H new ATOM 0 HG2 ARG A 27 1.406 9.252 -1.177 1.00 0.60 H new ATOM 0 HG3 ARG A 27 1.855 8.533 0.358 1.00 0.60 H new ATOM 0 HD2 ARG A 27 1.241 11.453 -0.195 1.00 1.09 H new ATOM 0 HD3 ARG A 27 0.305 10.334 0.775 1.00 1.09 H new ATOM 0 HE ARG A 27 1.966 10.430 2.516 1.00 0.66 H new ATOM 0 HH11 ARG A 27 2.638 12.689 -0.154 1.00 3.31 H new ATOM 0 HH12 ARG A 27 3.755 13.658 0.812 1.00 3.31 H new ATOM 0 HH21 ARG A 27 3.427 11.683 3.721 1.00 2.17 H new ATOM 0 HH22 ARG A 27 4.198 13.093 2.988 1.00 2.17 H new ATOM 391 N GLN A 28 6.287 8.179 -1.423 1.00 0.33 N ATOM 392 CA GLN A 28 7.696 8.304 -1.754 1.00 0.38 C ATOM 393 C GLN A 28 8.024 7.893 -3.195 1.00 0.35 C ATOM 394 O GLN A 28 9.139 8.158 -3.629 1.00 0.44 O ATOM 395 CB GLN A 28 8.538 7.519 -0.744 1.00 0.42 C ATOM 396 CG GLN A 28 8.413 6.009 -0.984 1.00 0.42 C ATOM 397 CD GLN A 28 9.247 5.176 -0.014 1.00 0.47 C ATOM 398 OE1 GLN A 28 9.317 5.573 1.255 1.00 0.60 O flip ATOM 399 NE2 GLN A 28 9.848 4.180 -0.399 1.00 0.70 N flip ATOM 0 H GLN A 28 6.100 7.535 -0.655 1.00 0.33 H new ATOM 0 HA GLN A 28 7.948 9.363 -1.690 1.00 0.38 H new ATOM 0 HB2 GLN A 28 9.583 7.819 -0.824 1.00 0.42 H new ATOM 0 HB3 GLN A 28 8.215 7.758 0.269 1.00 0.42 H new ATOM 0 HG2 GLN A 28 7.366 5.719 -0.895 1.00 0.42 H new ATOM 0 HG3 GLN A 28 8.721 5.783 -2.005 1.00 0.42 H new ATOM 0 HE21 GLN A 28 9.783 3.891 -1.375 1.00 0.70 H new ATOM 0 HE22 GLN A 28 10.413 3.640 0.256 1.00 0.70 H new ATOM 408 N LEU A 29 7.132 7.162 -3.885 1.00 0.26 N ATOM 409 CA LEU A 29 7.366 6.705 -5.247 1.00 0.28 C ATOM 410 C LEU A 29 7.485 7.895 -6.207 1.00 0.32 C ATOM 411 O LEU A 29 8.512 8.562 -6.260 1.00 0.46 O ATOM 412 CB LEU A 29 6.292 5.693 -5.643 1.00 0.29 C ATOM 413 CG LEU A 29 6.229 4.410 -4.788 1.00 0.33 C ATOM 414 CD1 LEU A 29 5.874 3.286 -5.727 1.00 0.35 C ATOM 415 CD2 LEU A 29 7.463 3.943 -3.999 1.00 0.51 C ATOM 0 H LEU A 29 6.230 6.876 -3.505 1.00 0.26 H new ATOM 0 HA LEU A 29 8.322 6.185 -5.308 1.00 0.28 H new ATOM 0 HB2 LEU A 29 5.321 6.186 -5.597 1.00 0.29 H new ATOM 0 HB3 LEU A 29 6.455 5.407 -6.682 1.00 0.29 H new ATOM 0 HG LEU A 29 5.514 4.667 -4.007 1.00 0.33 H new ATOM 0 HD11 LEU A 29 5.816 2.351 -5.170 1.00 0.35 H new ATOM 0 HD12 LEU A 29 4.910 3.491 -6.192 1.00 0.35 H new ATOM 0 HD13 LEU A 29 6.639 3.202 -6.499 1.00 0.35 H new ATOM 0 HD21 LEU A 29 7.225 3.025 -3.461 1.00 0.51 H new ATOM 0 HD22 LEU A 29 8.286 3.756 -4.688 1.00 0.51 H new ATOM 0 HD23 LEU A 29 7.754 4.716 -3.287 1.00 0.51 H new ATOM 427 N ALA A 30 6.444 8.135 -7.001 1.00 0.29 N ATOM 428 CA ALA A 30 6.381 9.216 -7.979 1.00 0.30 C ATOM 429 C ALA A 30 5.086 9.100 -8.768 1.00 0.31 C ATOM 430 O ALA A 30 4.355 10.069 -8.935 1.00 0.34 O ATOM 431 CB ALA A 30 7.555 9.134 -8.963 1.00 0.32 C ATOM 0 H ALA A 30 5.598 7.566 -6.980 1.00 0.29 H new ATOM 0 HA ALA A 30 6.428 10.165 -7.445 1.00 0.30 H new ATOM 0 HB1 ALA A 30 7.485 9.951 -9.682 1.00 0.32 H new ATOM 0 HB2 ALA A 30 8.494 9.212 -8.416 1.00 0.32 H new ATOM 0 HB3 ALA A 30 7.521 8.181 -9.492 1.00 0.32 H new ATOM 437 N GLY A 31 4.828 7.893 -9.276 1.00 0.33 N ATOM 438 CA GLY A 31 3.730 7.659 -10.205 1.00 0.39 C ATOM 439 C GLY A 31 2.382 7.505 -9.496 1.00 0.37 C ATOM 440 O GLY A 31 1.328 7.525 -10.133 1.00 0.49 O ATOM 0 H GLY A 31 5.372 7.059 -9.055 1.00 0.33 H new ATOM 0 HA2 GLY A 31 3.673 8.488 -10.910 1.00 0.39 H new ATOM 0 HA3 GLY A 31 3.936 6.760 -10.786 1.00 0.39 H new ATOM 444 N VAL A 32 2.418 7.327 -8.173 1.00 0.29 N ATOM 445 CA VAL A 32 1.246 7.409 -7.318 1.00 0.30 C ATOM 446 C VAL A 32 0.614 8.789 -7.469 1.00 0.43 C ATOM 447 O VAL A 32 1.333 9.780 -7.579 1.00 0.61 O ATOM 448 CB VAL A 32 1.696 7.165 -5.870 1.00 0.34 C ATOM 449 CG1 VAL A 32 0.580 7.439 -4.848 1.00 0.47 C ATOM 450 CG2 VAL A 32 2.208 5.723 -5.742 1.00 0.31 C ATOM 0 H VAL A 32 3.278 7.119 -7.665 1.00 0.29 H new ATOM 0 HA VAL A 32 0.503 6.661 -7.595 1.00 0.30 H new ATOM 0 HB VAL A 32 2.497 7.869 -5.642 1.00 0.34 H new ATOM 0 HG11 VAL A 32 0.954 7.250 -3.842 1.00 0.47 H new ATOM 0 HG12 VAL A 32 0.261 8.478 -4.928 1.00 0.47 H new ATOM 0 HG13 VAL A 32 -0.267 6.783 -5.049 1.00 0.47 H new ATOM 0 HG21 VAL A 32 2.530 5.541 -4.717 1.00 0.31 H new ATOM 0 HG22 VAL A 32 1.408 5.029 -6.000 1.00 0.31 H new ATOM 0 HG23 VAL A 32 3.050 5.574 -6.418 1.00 0.31 H new ATOM 460 N ASN A 33 -0.720 8.859 -7.415 1.00 0.40 N ATOM 461 CA ASN A 33 -1.412 10.126 -7.222 1.00 0.47 C ATOM 462 C ASN A 33 -2.250 10.072 -5.954 1.00 0.39 C ATOM 463 O ASN A 33 -2.174 10.995 -5.146 1.00 0.70 O ATOM 464 CB ASN A 33 -2.225 10.544 -8.450 1.00 0.87 C ATOM 465 CG ASN A 33 -3.120 9.448 -9.015 1.00 1.00 C ATOM 466 OD1 ASN A 33 -4.188 9.169 -8.483 1.00 2.84 O ATOM 467 ND2 ASN A 33 -2.691 8.872 -10.128 1.00 0.76 N ATOM 0 H ASN A 33 -1.337 8.051 -7.503 1.00 0.40 H new ATOM 0 HA ASN A 33 -0.662 10.907 -7.097 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -2.844 11.402 -8.186 1.00 0.87 H new ATOM 0 HB3 ASN A 33 -1.539 10.874 -9.230 1.00 0.87 H new ATOM 0 HD21 ASN A 33 -3.259 8.158 -10.584 1.00 0.76 H new ATOM 0 HD22 ASN A 33 -1.793 9.142 -10.529 1.00 0.76 H new ATOM 474 N GLN A 34 -3.034 9.008 -5.761 1.00 0.41 N ATOM 475 CA GLN A 34 -3.905 8.869 -4.605 1.00 0.46 C ATOM 476 C GLN A 34 -3.696 7.494 -3.973 1.00 0.52 C ATOM 477 O GLN A 34 -3.137 6.584 -4.582 1.00 1.10 O ATOM 478 CB GLN A 34 -5.355 9.138 -5.033 1.00 0.58 C ATOM 479 CG GLN A 34 -5.598 10.650 -5.177 1.00 1.42 C ATOM 480 CD GLN A 34 -6.612 10.999 -6.261 1.00 1.12 C ATOM 481 OE1 GLN A 34 -7.676 11.535 -5.970 1.00 1.37 O ATOM 482 NE2 GLN A 34 -6.286 10.732 -7.523 1.00 0.97 N ATOM 0 H GLN A 34 -3.078 8.220 -6.407 1.00 0.41 H new ATOM 0 HA GLN A 34 -3.662 9.602 -3.836 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -5.561 8.638 -5.980 1.00 0.58 H new ATOM 0 HB3 GLN A 34 -6.042 8.721 -4.297 1.00 0.58 H new ATOM 0 HG2 GLN A 34 -5.945 11.047 -4.223 1.00 1.42 H new ATOM 0 HG3 GLN A 34 -4.652 11.143 -5.402 1.00 1.42 H new ATOM 0 HE21 GLN A 34 -5.394 10.285 -7.736 1.00 0.97 H new ATOM 0 HE22 GLN A 34 -6.928 10.974 -8.278 1.00 0.97 H new ATOM 491 N VAL A 35 -4.078 7.372 -2.705 1.00 0.35 N ATOM 492 CA VAL A 35 -3.918 6.168 -1.915 1.00 0.31 C ATOM 493 C VAL A 35 -4.958 6.215 -0.801 1.00 0.30 C ATOM 494 O VAL A 35 -5.181 7.278 -0.223 1.00 0.41 O ATOM 495 CB VAL A 35 -2.464 6.051 -1.408 1.00 0.45 C ATOM 496 CG1 VAL A 35 -1.918 7.356 -0.807 1.00 1.22 C ATOM 497 CG2 VAL A 35 -2.306 4.942 -0.363 1.00 1.37 C ATOM 0 H VAL A 35 -4.519 8.133 -2.189 1.00 0.35 H new ATOM 0 HA VAL A 35 -4.089 5.267 -2.504 1.00 0.31 H new ATOM 0 HB VAL A 35 -1.885 5.810 -2.300 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -0.893 7.201 -0.471 1.00 1.22 H new ATOM 0 HG12 VAL A 35 -1.938 8.141 -1.563 1.00 1.22 H new ATOM 0 HG13 VAL A 35 -2.536 7.653 0.040 1.00 1.22 H new ATOM 0 HG21 VAL A 35 -1.267 4.896 -0.035 1.00 1.37 H new ATOM 0 HG22 VAL A 35 -2.948 5.154 0.492 1.00 1.37 H new ATOM 0 HG23 VAL A 35 -2.590 3.986 -0.802 1.00 1.37 H new ATOM 507 N GLN A 36 -5.612 5.085 -0.519 1.00 0.32 N ATOM 508 CA GLN A 36 -6.604 4.945 0.522 1.00 0.44 C ATOM 509 C GLN A 36 -6.327 3.623 1.251 1.00 0.39 C ATOM 510 O GLN A 36 -6.699 2.536 0.811 1.00 0.55 O ATOM 511 CB GLN A 36 -8.003 5.078 -0.097 1.00 0.82 C ATOM 512 CG GLN A 36 -8.282 3.985 -1.128 1.00 1.28 C ATOM 513 CD GLN A 36 -9.260 4.417 -2.218 1.00 1.23 C ATOM 514 OE1 GLN A 36 -10.456 4.169 -2.094 1.00 1.75 O ATOM 515 NE2 GLN A 36 -8.789 5.029 -3.304 1.00 1.29 N ATOM 0 H GLN A 36 -5.452 4.219 -1.034 1.00 0.32 H new ATOM 0 HA GLN A 36 -6.553 5.732 1.275 1.00 0.44 H new ATOM 0 HB2 GLN A 36 -8.754 5.032 0.692 1.00 0.82 H new ATOM 0 HB3 GLN A 36 -8.098 6.055 -0.571 1.00 0.82 H new ATOM 0 HG2 GLN A 36 -7.342 3.684 -1.591 1.00 1.28 H new ATOM 0 HG3 GLN A 36 -8.681 3.108 -0.618 1.00 1.28 H new ATOM 0 HE21 GLN A 36 -7.792 5.225 -3.386 1.00 1.29 H new ATOM 0 HE22 GLN A 36 -9.426 5.301 -4.053 1.00 1.29 H new ATOM 524 N VAL A 37 -5.647 3.747 2.385 1.00 0.27 N ATOM 525 CA VAL A 37 -5.322 2.690 3.319 1.00 0.35 C ATOM 526 C VAL A 37 -6.432 2.709 4.365 1.00 0.31 C ATOM 527 O VAL A 37 -6.815 3.779 4.837 1.00 0.57 O ATOM 528 CB VAL A 37 -3.933 2.938 3.952 1.00 0.50 C ATOM 529 CG1 VAL A 37 -2.899 3.330 2.892 1.00 1.68 C ATOM 530 CG2 VAL A 37 -3.902 4.039 5.025 1.00 1.32 C ATOM 0 H VAL A 37 -5.287 4.651 2.691 1.00 0.27 H new ATOM 0 HA VAL A 37 -5.264 1.716 2.834 1.00 0.35 H new ATOM 0 HB VAL A 37 -3.695 1.986 4.426 1.00 0.50 H new ATOM 0 HG11 VAL A 37 -1.934 3.497 3.370 1.00 1.68 H new ATOM 0 HG12 VAL A 37 -2.807 2.528 2.159 1.00 1.68 H new ATOM 0 HG13 VAL A 37 -3.219 4.244 2.392 1.00 1.68 H new ATOM 0 HG21 VAL A 37 -2.888 4.142 5.412 1.00 1.32 H new ATOM 0 HG22 VAL A 37 -4.221 4.984 4.586 1.00 1.32 H new ATOM 0 HG23 VAL A 37 -4.575 3.772 5.840 1.00 1.32 H new ATOM 540 N LEU A 38 -7.004 1.548 4.675 1.00 0.29 N ATOM 541 CA LEU A 38 -8.124 1.431 5.583 1.00 0.30 C ATOM 542 C LEU A 38 -7.838 0.307 6.582 1.00 0.30 C ATOM 543 O LEU A 38 -7.738 -0.861 6.193 1.00 0.33 O ATOM 544 CB LEU A 38 -9.385 1.201 4.743 1.00 0.34 C ATOM 545 CG LEU A 38 -10.581 0.762 5.585 1.00 0.36 C ATOM 546 CD1 LEU A 38 -10.969 1.794 6.652 1.00 0.41 C ATOM 547 CD2 LEU A 38 -11.791 0.485 4.686 1.00 0.41 C ATOM 0 H LEU A 38 -6.693 0.655 4.293 1.00 0.29 H new ATOM 0 HA LEU A 38 -8.280 2.335 6.172 1.00 0.30 H new ATOM 0 HB2 LEU A 38 -9.636 2.120 4.213 1.00 0.34 H new ATOM 0 HB3 LEU A 38 -9.180 0.443 3.987 1.00 0.34 H new ATOM 0 HG LEU A 38 -10.278 -0.149 6.102 1.00 0.36 H new ATOM 0 HD11 LEU A 38 -11.825 1.427 7.219 1.00 0.41 H new ATOM 0 HD12 LEU A 38 -10.128 1.953 7.327 1.00 0.41 H new ATOM 0 HD13 LEU A 38 -11.230 2.736 6.169 1.00 0.41 H new ATOM 0 HD21 LEU A 38 -12.636 0.173 5.299 1.00 0.41 H new ATOM 0 HD22 LEU A 38 -12.054 1.391 4.140 1.00 0.41 H new ATOM 0 HD23 LEU A 38 -11.545 -0.306 3.978 1.00 0.41 H new ATOM 559 N PHE A 39 -7.732 0.685 7.861 1.00 0.64 N ATOM 560 CA PHE A 39 -7.617 -0.233 8.983 1.00 0.80 C ATOM 561 C PHE A 39 -8.854 -1.097 9.134 1.00 0.92 C ATOM 562 O PHE A 39 -9.932 -0.776 8.629 1.00 1.52 O ATOM 563 CB PHE A 39 -7.468 0.533 10.301 1.00 1.35 C ATOM 564 CG PHE A 39 -6.241 1.392 10.398 1.00 0.77 C ATOM 565 CD1 PHE A 39 -5.006 0.744 10.326 1.00 1.82 C ATOM 566 CD2 PHE A 39 -6.318 2.715 10.865 1.00 2.47 C ATOM 567 CE1 PHE A 39 -3.856 1.368 10.806 1.00 2.20 C ATOM 568 CE2 PHE A 39 -5.152 3.369 11.291 1.00 2.90 C ATOM 569 CZ PHE A 39 -3.922 2.691 11.277 1.00 2.10 C ATOM 0 H PHE A 39 -7.724 1.665 8.144 1.00 0.64 H new ATOM 0 HA PHE A 39 -6.742 -0.849 8.776 1.00 0.80 H new ATOM 0 HB2 PHE A 39 -8.347 1.163 10.439 1.00 1.35 H new ATOM 0 HB3 PHE A 39 -7.457 -0.184 11.122 1.00 1.35 H new ATOM 0 HD1 PHE A 39 -4.942 -0.245 9.897 1.00 1.82 H new ATOM 0 HD2 PHE A 39 -7.269 3.226 10.896 1.00 2.47 H new ATOM 0 HE1 PHE A 39 -2.916 0.836 10.816 1.00 2.20 H new ATOM 0 HE2 PHE A 39 -5.200 4.393 11.630 1.00 2.90 H new ATOM 0 HZ PHE A 39 -3.028 3.185 11.628 1.00 2.10 H new ATOM 579 N ALA A 40 -8.677 -2.197 9.859 1.00 0.84 N ATOM 580 CA ALA A 40 -9.647 -3.190 10.272 1.00 0.97 C ATOM 581 C ALA A 40 -10.073 -4.071 9.090 1.00 0.77 C ATOM 582 O ALA A 40 -10.270 -5.275 9.223 1.00 0.95 O ATOM 583 CB ALA A 40 -10.840 -2.558 10.999 1.00 1.30 C ATOM 0 H ALA A 40 -7.748 -2.434 10.206 1.00 0.84 H new ATOM 0 HA ALA A 40 -9.165 -3.844 10.998 1.00 0.97 H new ATOM 0 HB1 ALA A 40 -11.543 -3.338 11.291 1.00 1.30 H new ATOM 0 HB2 ALA A 40 -10.489 -2.035 11.888 1.00 1.30 H new ATOM 0 HB3 ALA A 40 -11.338 -1.851 10.335 1.00 1.30 H new ATOM 589 N THR A 41 -10.215 -3.451 7.917 1.00 0.53 N ATOM 590 CA THR A 41 -10.285 -4.114 6.629 1.00 0.39 C ATOM 591 C THR A 41 -8.881 -4.579 6.202 1.00 0.40 C ATOM 592 O THR A 41 -8.771 -5.402 5.295 1.00 0.71 O ATOM 593 CB THR A 41 -10.895 -3.141 5.602 1.00 0.54 C ATOM 594 OG1 THR A 41 -12.019 -2.467 6.142 1.00 0.74 O ATOM 595 CG2 THR A 41 -11.390 -3.861 4.345 1.00 1.10 C ATOM 0 H THR A 41 -10.286 -2.436 7.844 1.00 0.53 H new ATOM 0 HA THR A 41 -10.919 -4.998 6.692 1.00 0.39 H new ATOM 0 HB THR A 41 -10.095 -2.445 5.350 1.00 0.54 H new ATOM 0 HG1 THR A 41 -12.569 -2.112 5.413 1.00 0.74 H new ATOM 0 HG21 THR A 41 -11.811 -3.134 3.651 1.00 1.10 H new ATOM 0 HG22 THR A 41 -10.556 -4.376 3.868 1.00 1.10 H new ATOM 0 HG23 THR A 41 -12.156 -4.587 4.619 1.00 1.10 H new ATOM 603 N GLU A 42 -7.814 -4.031 6.807 1.00 0.39 N ATOM 604 CA GLU A 42 -6.425 -4.228 6.405 1.00 0.59 C ATOM 605 C GLU A 42 -6.273 -4.079 4.895 1.00 0.60 C ATOM 606 O GLU A 42 -5.575 -4.858 4.244 1.00 0.72 O ATOM 607 CB GLU A 42 -5.888 -5.556 6.968 1.00 0.85 C ATOM 608 CG GLU A 42 -5.351 -5.365 8.392 1.00 2.11 C ATOM 609 CD GLU A 42 -6.381 -4.755 9.331 1.00 2.82 C ATOM 610 OE1 GLU A 42 -6.528 -3.514 9.284 1.00 3.81 O ATOM 611 OE2 GLU A 42 -7.048 -5.537 10.038 1.00 3.29 O ATOM 0 H GLU A 42 -7.906 -3.418 7.617 1.00 0.39 H new ATOM 0 HA GLU A 42 -5.801 -3.446 6.838 1.00 0.59 H new ATOM 0 HB2 GLU A 42 -6.682 -6.303 6.971 1.00 0.85 H new ATOM 0 HB3 GLU A 42 -5.095 -5.936 6.323 1.00 0.85 H new ATOM 0 HG2 GLU A 42 -5.031 -6.329 8.787 1.00 2.11 H new ATOM 0 HG3 GLU A 42 -4.470 -4.725 8.361 1.00 2.11 H new ATOM 618 N LYS A 43 -6.925 -3.055 4.340 1.00 0.57 N ATOM 619 CA LYS A 43 -6.948 -2.835 2.912 1.00 0.66 C ATOM 620 C LYS A 43 -5.910 -1.773 2.572 1.00 0.57 C ATOM 621 O LYS A 43 -5.916 -0.682 3.148 1.00 0.75 O ATOM 622 CB LYS A 43 -8.377 -2.486 2.464 1.00 1.05 C ATOM 623 CG LYS A 43 -8.444 -1.901 1.046 1.00 1.25 C ATOM 624 CD LYS A 43 -8.485 -0.365 1.114 1.00 1.21 C ATOM 625 CE LYS A 43 -9.925 0.141 1.247 1.00 0.65 C ATOM 626 NZ LYS A 43 -10.601 0.256 -0.060 1.00 1.25 N ATOM 0 H LYS A 43 -7.448 -2.362 4.876 1.00 0.57 H new ATOM 0 HA LYS A 43 -6.677 -3.735 2.360 1.00 0.66 H new ATOM 0 HB2 LYS A 43 -8.994 -3.384 2.508 1.00 1.05 H new ATOM 0 HB3 LYS A 43 -8.805 -1.770 3.165 1.00 1.05 H new ATOM 0 HG2 LYS A 43 -7.578 -2.225 0.468 1.00 1.25 H new ATOM 0 HG3 LYS A 43 -9.329 -2.275 0.531 1.00 1.25 H new ATOM 0 HD2 LYS A 43 -7.895 -0.019 1.962 1.00 1.21 H new ATOM 0 HD3 LYS A 43 -8.030 0.054 0.217 1.00 1.21 H new ATOM 0 HE2 LYS A 43 -10.489 -0.538 1.887 1.00 0.65 H new ATOM 0 HE3 LYS A 43 -9.922 1.114 1.739 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 -11.572 0.602 0.080 1.00 1.25 H new ATOM 0 HZ2 LYS A 43 -10.080 0.924 -0.663 1.00 1.25 H new ATOM 0 HZ3 LYS A 43 -10.629 -0.676 -0.520 1.00 1.25 H new ATOM 640 N LEU A 44 -5.070 -2.093 1.590 1.00 0.41 N ATOM 641 CA LEU A 44 -4.282 -1.128 0.839 1.00 0.38 C ATOM 642 C LEU A 44 -5.052 -0.897 -0.428 1.00 0.31 C ATOM 643 O LEU A 44 -5.387 -1.874 -1.090 1.00 0.38 O ATOM 644 CB LEU A 44 -2.902 -1.726 0.490 1.00 0.40 C ATOM 645 CG LEU A 44 -1.709 -0.968 1.091 1.00 0.61 C ATOM 646 CD1 LEU A 44 -1.238 0.201 0.231 1.00 0.65 C ATOM 647 CD2 LEU A 44 -2.040 -0.487 2.497 1.00 1.50 C ATOM 0 H LEU A 44 -4.917 -3.056 1.290 1.00 0.41 H new ATOM 0 HA LEU A 44 -4.117 -0.211 1.405 1.00 0.38 H new ATOM 0 HB2 LEU A 44 -2.870 -2.760 0.835 1.00 0.40 H new ATOM 0 HB3 LEU A 44 -2.793 -1.748 -0.594 1.00 0.40 H new ATOM 0 HG LEU A 44 -0.883 -1.678 1.129 1.00 0.61 H new ATOM 0 HD11 LEU A 44 -0.393 0.691 0.715 1.00 0.65 H new ATOM 0 HD12 LEU A 44 -0.931 -0.168 -0.748 1.00 0.65 H new ATOM 0 HD13 LEU A 44 -2.052 0.916 0.111 1.00 0.65 H new ATOM 0 HD21 LEU A 44 -1.185 0.048 2.909 1.00 1.50 H new ATOM 0 HD22 LEU A 44 -2.902 0.180 2.460 1.00 1.50 H new ATOM 0 HD23 LEU A 44 -2.271 -1.344 3.130 1.00 1.50 H new ATOM 659 N VAL A 45 -5.314 0.365 -0.768 1.00 0.27 N ATOM 660 CA VAL A 45 -5.564 0.722 -2.142 1.00 0.26 C ATOM 661 C VAL A 45 -4.659 1.868 -2.536 1.00 0.26 C ATOM 662 O VAL A 45 -4.637 2.890 -1.861 1.00 0.43 O ATOM 663 CB VAL A 45 -7.042 1.013 -2.399 1.00 0.31 C ATOM 664 CG1 VAL A 45 -7.238 1.875 -3.647 1.00 0.64 C ATOM 665 CG2 VAL A 45 -7.702 -0.328 -2.670 1.00 0.60 C ATOM 0 H VAL A 45 -5.356 1.142 -0.109 1.00 0.27 H new ATOM 0 HA VAL A 45 -5.326 -0.130 -2.780 1.00 0.26 H new ATOM 0 HB VAL A 45 -7.461 1.541 -1.543 1.00 0.31 H new ATOM 0 HG11 VAL A 45 -8.301 2.061 -3.797 1.00 0.64 H new ATOM 0 HG12 VAL A 45 -6.718 2.824 -3.519 1.00 0.64 H new ATOM 0 HG13 VAL A 45 -6.834 1.355 -4.516 1.00 0.64 H new ATOM 0 HG21 VAL A 45 -8.765 -0.179 -2.861 1.00 0.60 H new ATOM 0 HG22 VAL A 45 -7.239 -0.792 -3.540 1.00 0.60 H new ATOM 0 HG23 VAL A 45 -7.577 -0.977 -1.803 1.00 0.60 H new ATOM 675 N VAL A 46 -3.928 1.679 -3.628 1.00 0.35 N ATOM 676 CA VAL A 46 -3.128 2.697 -4.274 1.00 0.25 C ATOM 677 C VAL A 46 -3.676 2.985 -5.674 1.00 0.25 C ATOM 678 O VAL A 46 -3.941 2.056 -6.436 1.00 0.30 O ATOM 679 CB VAL A 46 -1.681 2.209 -4.300 1.00 0.34 C ATOM 680 CG1 VAL A 46 -0.797 3.223 -5.025 1.00 0.44 C ATOM 681 CG2 VAL A 46 -1.220 1.999 -2.852 1.00 0.32 C ATOM 0 H VAL A 46 -3.878 0.777 -4.101 1.00 0.35 H new ATOM 0 HA VAL A 46 -3.169 3.639 -3.727 1.00 0.25 H new ATOM 0 HB VAL A 46 -1.605 1.266 -4.842 1.00 0.34 H new ATOM 0 HG11 VAL A 46 0.232 2.865 -5.038 1.00 0.44 H new ATOM 0 HG12 VAL A 46 -1.150 3.348 -6.049 1.00 0.44 H new ATOM 0 HG13 VAL A 46 -0.842 4.181 -4.507 1.00 0.44 H new ATOM 0 HG21 VAL A 46 -0.187 1.650 -2.846 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -1.288 2.941 -2.308 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -1.857 1.256 -2.371 1.00 0.32 H new ATOM 691 N ASP A 47 -3.819 4.270 -6.003 1.00 0.35 N ATOM 692 CA ASP A 47 -4.291 4.779 -7.278 1.00 0.33 C ATOM 693 C ASP A 47 -3.099 5.526 -7.917 1.00 0.32 C ATOM 694 O ASP A 47 -2.679 6.587 -7.438 1.00 0.34 O ATOM 695 CB ASP A 47 -5.528 5.669 -7.040 1.00 0.39 C ATOM 696 CG ASP A 47 -6.694 4.976 -6.312 1.00 1.39 C ATOM 697 OD1 ASP A 47 -7.562 4.388 -6.999 1.00 1.92 O ATOM 698 OD2 ASP A 47 -6.735 5.067 -5.060 1.00 2.94 O ATOM 0 H ASP A 47 -3.595 5.018 -5.347 1.00 0.35 H new ATOM 0 HA ASP A 47 -4.616 3.995 -7.962 1.00 0.33 H new ATOM 0 HB2 ASP A 47 -5.224 6.541 -6.461 1.00 0.39 H new ATOM 0 HB3 ASP A 47 -5.886 6.034 -8.003 1.00 0.39 H new ATOM 703 N ALA A 48 -2.495 4.922 -8.953 1.00 0.41 N ATOM 704 CA ALA A 48 -1.237 5.368 -9.554 1.00 0.42 C ATOM 705 C ALA A 48 -1.299 5.263 -11.079 1.00 0.52 C ATOM 706 O ALA A 48 -1.471 4.170 -11.628 1.00 1.01 O ATOM 707 CB ALA A 48 -0.047 4.557 -9.021 1.00 0.49 C ATOM 0 H ALA A 48 -2.880 4.092 -9.403 1.00 0.41 H new ATOM 0 HA ALA A 48 -1.092 6.412 -9.277 1.00 0.42 H new ATOM 0 HB1 ALA A 48 0.873 4.912 -9.486 1.00 0.49 H new ATOM 0 HB2 ALA A 48 0.022 4.680 -7.940 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -0.190 3.503 -9.258 1.00 0.49 H new ATOM 713 N ASP A 49 -1.102 6.392 -11.759 1.00 0.29 N ATOM 714 CA ASP A 49 -1.235 6.530 -13.208 1.00 0.37 C ATOM 715 C ASP A 49 0.062 6.111 -13.897 1.00 0.49 C ATOM 716 O ASP A 49 0.688 6.888 -14.610 1.00 0.72 O ATOM 717 CB ASP A 49 -1.699 7.954 -13.566 1.00 0.66 C ATOM 718 CG ASP A 49 -3.212 8.095 -13.479 1.00 0.99 C ATOM 719 OD1 ASP A 49 -3.739 7.964 -12.353 1.00 1.86 O ATOM 720 OD2 ASP A 49 -3.834 8.259 -14.554 1.00 2.01 O ATOM 0 H ASP A 49 -0.837 7.264 -11.301 1.00 0.29 H new ATOM 0 HA ASP A 49 -2.008 5.857 -13.580 1.00 0.37 H new ATOM 0 HB2 ASP A 49 -1.228 8.670 -12.892 1.00 0.66 H new ATOM 0 HB3 ASP A 49 -1.368 8.201 -14.575 1.00 0.66 H new ATOM 725 N ASN A 50 0.442 4.849 -13.676 1.00 0.53 N ATOM 726 CA ASN A 50 1.595 4.189 -14.301 1.00 0.78 C ATOM 727 C ASN A 50 1.659 2.701 -13.931 1.00 0.97 C ATOM 728 O ASN A 50 2.050 1.883 -14.756 1.00 2.76 O ATOM 729 CB ASN A 50 2.929 4.888 -13.974 1.00 0.78 C ATOM 730 CG ASN A 50 3.418 4.662 -12.547 1.00 0.56 C ATOM 731 OD1 ASN A 50 4.580 4.344 -12.329 1.00 1.64 O ATOM 732 ND2 ASN A 50 2.554 4.854 -11.549 1.00 0.67 N ATOM 0 H ASN A 50 -0.062 4.236 -13.035 1.00 0.53 H new ATOM 0 HA ASN A 50 1.446 4.270 -15.378 1.00 0.78 H new ATOM 0 HB2 ASN A 50 3.692 4.535 -14.668 1.00 0.78 H new ATOM 0 HB3 ASN A 50 2.816 5.959 -14.143 1.00 0.78 H new ATOM 0 HD21 ASN A 50 2.857 4.736 -10.582 1.00 0.67 H new ATOM 0 HD22 ASN A 50 1.590 5.119 -11.753 1.00 0.67 H new ATOM 739 N ASP A 51 1.269 2.389 -12.690 1.00 1.38 N ATOM 740 CA ASP A 51 1.361 1.113 -11.995 1.00 1.30 C ATOM 741 C ASP A 51 2.762 0.875 -11.440 1.00 0.85 C ATOM 742 O ASP A 51 3.771 1.165 -12.078 1.00 1.02 O ATOM 743 CB ASP A 51 0.831 -0.108 -12.759 1.00 1.67 C ATOM 744 CG ASP A 51 0.750 -1.330 -11.842 1.00 2.48 C ATOM 745 OD1 ASP A 51 0.752 -1.131 -10.603 1.00 3.73 O ATOM 746 OD2 ASP A 51 0.711 -2.454 -12.381 1.00 2.70 O ATOM 0 H ASP A 51 0.840 3.097 -12.095 1.00 1.38 H new ATOM 0 HA ASP A 51 0.666 1.215 -11.162 1.00 1.30 H new ATOM 0 HB2 ASP A 51 -0.156 0.113 -13.166 1.00 1.67 H new ATOM 0 HB3 ASP A 51 1.484 -0.325 -13.605 1.00 1.67 H new ATOM 751 N ILE A 52 2.779 0.386 -10.203 1.00 0.45 N ATOM 752 CA ILE A 52 3.907 0.238 -9.314 1.00 0.33 C ATOM 753 C ILE A 52 3.618 -0.854 -8.268 1.00 0.26 C ATOM 754 O ILE A 52 4.193 -0.792 -7.186 1.00 0.30 O ATOM 755 CB ILE A 52 4.207 1.608 -8.653 1.00 0.47 C ATOM 756 CG1 ILE A 52 2.949 2.423 -8.306 1.00 0.49 C ATOM 757 CG2 ILE A 52 5.069 2.481 -9.564 1.00 0.66 C ATOM 758 CD1 ILE A 52 1.976 1.685 -7.389 1.00 0.48 C ATOM 0 H ILE A 52 1.919 0.055 -9.766 1.00 0.45 H new ATOM 0 HA ILE A 52 4.789 -0.077 -9.871 1.00 0.33 H new ATOM 0 HB ILE A 52 4.726 1.356 -7.728 1.00 0.47 H new ATOM 0 HG12 ILE A 52 3.250 3.355 -7.827 1.00 0.49 H new ATOM 0 HG13 ILE A 52 2.434 2.691 -9.228 1.00 0.49 H new ATOM 0 HG21 ILE A 52 5.264 3.436 -9.075 1.00 0.66 H new ATOM 0 HG22 ILE A 52 6.014 1.976 -9.764 1.00 0.66 H new ATOM 0 HG23 ILE A 52 4.545 2.655 -10.504 1.00 0.66 H new ATOM 0 HD11 ILE A 52 1.113 2.320 -7.187 1.00 0.48 H new ATOM 0 HD12 ILE A 52 1.645 0.766 -7.874 1.00 0.48 H new ATOM 0 HD13 ILE A 52 2.474 1.441 -6.451 1.00 0.48 H new ATOM 770 N ARG A 53 2.757 -1.856 -8.524 1.00 0.27 N ATOM 771 CA ARG A 53 2.398 -2.800 -7.448 1.00 0.31 C ATOM 772 C ARG A 53 3.610 -3.449 -6.814 1.00 0.27 C ATOM 773 O ARG A 53 3.720 -3.452 -5.598 1.00 0.29 O ATOM 774 CB ARG A 53 1.428 -3.920 -7.836 1.00 0.41 C ATOM 775 CG ARG A 53 0.384 -3.378 -8.779 1.00 0.54 C ATOM 776 CD ARG A 53 -0.871 -4.218 -8.956 1.00 0.55 C ATOM 777 NE ARG A 53 -0.643 -5.675 -9.022 1.00 0.81 N ATOM 778 CZ ARG A 53 -1.663 -6.540 -8.895 1.00 1.72 C ATOM 779 NH1 ARG A 53 -2.903 -6.050 -8.908 1.00 3.12 N ATOM 780 NH2 ARG A 53 -1.476 -7.853 -8.732 1.00 2.05 N ATOM 0 H ARG A 53 2.313 -2.030 -9.426 1.00 0.27 H new ATOM 0 HA ARG A 53 1.884 -2.148 -6.742 1.00 0.31 H new ATOM 0 HB2 ARG A 53 1.971 -4.738 -8.309 1.00 0.41 H new ATOM 0 HB3 ARG A 53 0.951 -4.328 -6.945 1.00 0.41 H new ATOM 0 HG2 ARG A 53 0.087 -2.390 -8.428 1.00 0.54 H new ATOM 0 HG3 ARG A 53 0.845 -3.243 -9.757 1.00 0.54 H new ATOM 0 HD2 ARG A 53 -1.550 -4.009 -8.129 1.00 0.55 H new ATOM 0 HD3 ARG A 53 -1.375 -3.903 -9.870 1.00 0.55 H new ATOM 0 HE ARG A 53 0.302 -6.030 -9.166 1.00 0.81 H new ATOM 0 HH11 ARG A 53 -3.054 -5.047 -9.012 1.00 3.12 H new ATOM 0 HH12 ARG A 53 -3.701 -6.679 -8.814 1.00 3.12 H new ATOM 0 HH21 ARG A 53 -0.530 -8.233 -8.700 1.00 2.05 H new ATOM 0 HH22 ARG A 53 -2.279 -8.475 -8.639 1.00 2.05 H new ATOM 794 N ALA A 54 4.514 -3.985 -7.634 1.00 0.26 N ATOM 795 CA ALA A 54 5.750 -4.574 -7.140 1.00 0.27 C ATOM 796 C ALA A 54 6.568 -3.537 -6.372 1.00 0.25 C ATOM 797 O ALA A 54 7.288 -3.873 -5.436 1.00 0.27 O ATOM 798 CB ALA A 54 6.556 -5.124 -8.313 1.00 0.31 C ATOM 0 H ALA A 54 4.409 -4.021 -8.648 1.00 0.26 H new ATOM 0 HA ALA A 54 5.508 -5.389 -6.458 1.00 0.27 H new ATOM 0 HB1 ALA A 54 7.482 -5.565 -7.943 1.00 0.31 H new ATOM 0 HB2 ALA A 54 5.972 -5.886 -8.830 1.00 0.31 H new ATOM 0 HB3 ALA A 54 6.791 -4.315 -9.005 1.00 0.31 H new ATOM 804 N GLN A 55 6.461 -2.265 -6.762 1.00 0.23 N ATOM 805 CA GLN A 55 7.178 -1.206 -6.087 1.00 0.23 C ATOM 806 C GLN A 55 6.595 -0.998 -4.696 1.00 0.20 C ATOM 807 O GLN A 55 7.331 -0.997 -3.705 1.00 0.22 O ATOM 808 CB GLN A 55 7.177 0.076 -6.936 1.00 0.31 C ATOM 809 CG GLN A 55 8.589 0.594 -7.232 1.00 0.44 C ATOM 810 CD GLN A 55 9.248 -0.188 -8.363 1.00 1.54 C ATOM 811 OE1 GLN A 55 10.071 -1.063 -8.126 1.00 3.00 O ATOM 812 NE2 GLN A 55 8.892 0.127 -9.605 1.00 1.42 N ATOM 0 H GLN A 55 5.883 -1.954 -7.542 1.00 0.23 H new ATOM 0 HA GLN A 55 8.223 -1.489 -5.962 1.00 0.23 H new ATOM 0 HB2 GLN A 55 6.661 -0.117 -7.877 1.00 0.31 H new ATOM 0 HB3 GLN A 55 6.613 0.850 -6.416 1.00 0.31 H new ATOM 0 HG2 GLN A 55 8.541 1.650 -7.498 1.00 0.44 H new ATOM 0 HG3 GLN A 55 9.201 0.519 -6.333 1.00 0.44 H new ATOM 0 HE21 GLN A 55 8.203 0.861 -9.767 1.00 1.42 H new ATOM 0 HE22 GLN A 55 9.308 -0.366 -10.395 1.00 1.42 H new ATOM 821 N VAL A 56 5.274 -0.835 -4.616 1.00 0.20 N ATOM 822 CA VAL A 56 4.650 -0.583 -3.342 1.00 0.20 C ATOM 823 C VAL A 56 4.834 -1.823 -2.468 1.00 0.19 C ATOM 824 O VAL A 56 5.252 -1.712 -1.323 1.00 0.20 O ATOM 825 CB VAL A 56 3.180 -0.231 -3.549 1.00 0.27 C ATOM 826 CG1 VAL A 56 2.457 -0.263 -2.198 1.00 0.40 C ATOM 827 CG2 VAL A 56 3.089 1.214 -4.049 1.00 0.47 C ATOM 0 H VAL A 56 4.635 -0.874 -5.410 1.00 0.20 H new ATOM 0 HA VAL A 56 5.111 0.267 -2.838 1.00 0.20 H new ATOM 0 HB VAL A 56 2.739 -0.936 -4.253 1.00 0.27 H new ATOM 0 HG11 VAL A 56 1.406 -0.012 -2.342 1.00 0.40 H new ATOM 0 HG12 VAL A 56 2.536 -1.261 -1.767 1.00 0.40 H new ATOM 0 HG13 VAL A 56 2.914 0.461 -1.524 1.00 0.40 H new ATOM 0 HG21 VAL A 56 2.043 1.481 -4.202 1.00 0.47 H new ATOM 0 HG22 VAL A 56 3.530 1.883 -3.310 1.00 0.47 H new ATOM 0 HG23 VAL A 56 3.629 1.308 -4.991 1.00 0.47 H new ATOM 837 N GLU A 57 4.537 -3.009 -3.011 1.00 0.19 N ATOM 838 CA GLU A 57 4.769 -4.273 -2.334 1.00 0.18 C ATOM 839 C GLU A 57 6.193 -4.353 -1.814 1.00 0.18 C ATOM 840 O GLU A 57 6.342 -4.413 -0.605 1.00 0.22 O ATOM 841 CB GLU A 57 4.321 -5.451 -3.208 1.00 0.28 C ATOM 842 CG GLU A 57 4.732 -6.846 -2.731 1.00 0.47 C ATOM 843 CD GLU A 57 6.177 -7.211 -3.042 1.00 1.64 C ATOM 844 OE1 GLU A 57 6.659 -6.787 -4.112 1.00 2.79 O ATOM 845 OE2 GLU A 57 6.768 -7.910 -2.188 1.00 2.78 O ATOM 0 H GLU A 57 4.126 -3.111 -3.939 1.00 0.19 H new ATOM 0 HA GLU A 57 4.144 -4.337 -1.443 1.00 0.18 H new ATOM 0 HB2 GLU A 57 3.234 -5.423 -3.288 1.00 0.28 H new ATOM 0 HB3 GLU A 57 4.718 -5.302 -4.212 1.00 0.28 H new ATOM 0 HG2 GLU A 57 4.577 -6.910 -1.654 1.00 0.47 H new ATOM 0 HG3 GLU A 57 4.075 -7.584 -3.192 1.00 0.47 H new ATOM 852 N SER A 58 7.226 -4.289 -2.656 1.00 0.20 N ATOM 853 CA SER A 58 8.607 -4.370 -2.191 1.00 0.28 C ATOM 854 C SER A 58 8.843 -3.417 -1.009 1.00 0.29 C ATOM 855 O SER A 58 9.412 -3.807 0.015 1.00 0.33 O ATOM 856 CB SER A 58 9.556 -4.093 -3.365 1.00 0.37 C ATOM 857 OG SER A 58 10.912 -4.268 -2.990 1.00 0.56 O ATOM 0 H SER A 58 7.129 -4.181 -3.666 1.00 0.20 H new ATOM 0 HA SER A 58 8.812 -5.375 -1.822 1.00 0.28 H new ATOM 0 HB2 SER A 58 9.317 -4.761 -4.193 1.00 0.37 H new ATOM 0 HB3 SER A 58 9.405 -3.075 -3.724 1.00 0.37 H new ATOM 0 HG SER A 58 11.490 -4.086 -3.760 1.00 0.56 H new ATOM 863 N ALA A 59 8.389 -2.167 -1.138 1.00 0.31 N ATOM 864 CA ALA A 59 8.507 -1.175 -0.081 1.00 0.36 C ATOM 865 C ALA A 59 7.817 -1.633 1.206 1.00 0.33 C ATOM 866 O ALA A 59 8.419 -1.589 2.276 1.00 0.41 O ATOM 867 CB ALA A 59 7.917 0.151 -0.552 1.00 0.38 C ATOM 0 H ALA A 59 7.930 -1.820 -1.981 1.00 0.31 H new ATOM 0 HA ALA A 59 9.566 -1.046 0.143 1.00 0.36 H new ATOM 0 HB1 ALA A 59 8.007 0.892 0.242 1.00 0.38 H new ATOM 0 HB2 ALA A 59 8.457 0.497 -1.434 1.00 0.38 H new ATOM 0 HB3 ALA A 59 6.865 0.013 -0.802 1.00 0.38 H new ATOM 873 N LEU A 60 6.553 -2.048 1.122 1.00 0.27 N ATOM 874 CA LEU A 60 5.751 -2.463 2.262 1.00 0.27 C ATOM 875 C LEU A 60 6.361 -3.694 2.927 1.00 0.23 C ATOM 876 O LEU A 60 6.496 -3.763 4.149 1.00 0.28 O ATOM 877 CB LEU A 60 4.333 -2.790 1.797 1.00 0.27 C ATOM 878 CG LEU A 60 3.515 -1.598 1.419 1.00 0.46 C ATOM 879 CD1 LEU A 60 2.209 -2.027 0.742 1.00 0.99 C ATOM 880 CD2 LEU A 60 3.182 -0.801 2.650 1.00 1.10 C ATOM 0 H LEU A 60 6.051 -2.105 0.236 1.00 0.27 H new ATOM 0 HA LEU A 60 5.726 -1.648 2.985 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.391 -3.462 0.941 1.00 0.27 H new ATOM 0 HB3 LEU A 60 3.819 -3.330 2.592 1.00 0.27 H new ATOM 0 HG LEU A 60 4.096 -0.993 0.723 1.00 0.46 H new ATOM 0 HD11 LEU A 60 1.630 -1.143 0.476 1.00 0.99 H new ATOM 0 HD12 LEU A 60 2.436 -2.597 -0.159 1.00 0.99 H new ATOM 0 HD13 LEU A 60 1.631 -2.647 1.427 1.00 0.99 H new ATOM 0 HD21 LEU A 60 2.585 0.068 2.371 1.00 1.10 H new ATOM 0 HD22 LEU A 60 2.616 -1.422 3.344 1.00 1.10 H new ATOM 0 HD23 LEU A 60 4.103 -0.470 3.129 1.00 1.10 H new ATOM 892 N GLN A 61 6.724 -4.665 2.094 1.00 0.20 N ATOM 893 CA GLN A 61 7.425 -5.869 2.503 1.00 0.30 C ATOM 894 C GLN A 61 8.638 -5.468 3.345 1.00 0.34 C ATOM 895 O GLN A 61 8.788 -5.934 4.472 1.00 0.40 O ATOM 896 CB GLN A 61 7.834 -6.703 1.272 1.00 0.35 C ATOM 897 CG GLN A 61 7.358 -8.157 1.339 1.00 0.47 C ATOM 898 CD GLN A 61 5.846 -8.331 1.205 1.00 1.49 C ATOM 899 OE1 GLN A 61 5.106 -8.309 2.180 1.00 3.45 O ATOM 900 NE2 GLN A 61 5.360 -8.563 -0.005 1.00 0.77 N ATOM 0 H GLN A 61 6.532 -4.632 1.093 1.00 0.20 H new ATOM 0 HA GLN A 61 6.769 -6.496 3.107 1.00 0.30 H new ATOM 0 HB2 GLN A 61 7.428 -6.236 0.375 1.00 0.35 H new ATOM 0 HB3 GLN A 61 8.920 -6.688 1.176 1.00 0.35 H new ATOM 0 HG2 GLN A 61 7.849 -8.724 0.548 1.00 0.47 H new ATOM 0 HG3 GLN A 61 7.679 -8.589 2.287 1.00 0.47 H new ATOM 0 HE21 GLN A 61 5.985 -8.579 -0.811 1.00 0.77 H new ATOM 0 HE22 GLN A 61 4.361 -8.725 -0.131 1.00 0.77 H new ATOM 909 N LYS A 62 9.485 -4.570 2.822 1.00 0.35 N ATOM 910 CA LYS A 62 10.646 -4.112 3.565 1.00 0.43 C ATOM 911 C LYS A 62 10.238 -3.357 4.839 1.00 0.41 C ATOM 912 O LYS A 62 10.879 -3.508 5.878 1.00 0.48 O ATOM 913 CB LYS A 62 11.529 -3.238 2.667 1.00 0.51 C ATOM 914 CG LYS A 62 12.904 -3.026 3.314 1.00 1.47 C ATOM 915 CD LYS A 62 13.513 -1.701 2.843 1.00 1.82 C ATOM 916 CE LYS A 62 14.831 -1.386 3.566 1.00 3.09 C ATOM 917 NZ LYS A 62 14.654 -1.211 5.026 1.00 4.30 N ATOM 0 H LYS A 62 9.382 -4.155 1.896 1.00 0.35 H new ATOM 0 HA LYS A 62 11.218 -4.985 3.879 1.00 0.43 H new ATOM 0 HB2 LYS A 62 11.648 -3.710 1.692 1.00 0.51 H new ATOM 0 HB3 LYS A 62 11.047 -2.275 2.498 1.00 0.51 H new ATOM 0 HG2 LYS A 62 12.807 -3.024 4.400 1.00 1.47 H new ATOM 0 HG3 LYS A 62 13.567 -3.852 3.055 1.00 1.47 H new ATOM 0 HD2 LYS A 62 13.690 -1.745 1.768 1.00 1.82 H new ATOM 0 HD3 LYS A 62 12.802 -0.893 3.016 1.00 1.82 H new ATOM 0 HE2 LYS A 62 15.542 -2.192 3.384 1.00 3.09 H new ATOM 0 HE3 LYS A 62 15.264 -0.478 3.145 1.00 3.09 H new ATOM 0 HZ1 LYS A 62 15.514 -0.789 5.432 1.00 4.30 H new ATOM 0 HZ2 LYS A 62 13.843 -0.585 5.205 1.00 4.30 H new ATOM 0 HZ3 LYS A 62 14.481 -2.136 5.468 1.00 4.30 H new ATOM 931 N ALA A 63 9.223 -2.494 4.747 1.00 0.35 N ATOM 932 CA ALA A 63 8.754 -1.671 5.856 1.00 0.40 C ATOM 933 C ALA A 63 8.328 -2.545 7.034 1.00 0.37 C ATOM 934 O ALA A 63 8.606 -2.204 8.183 1.00 0.52 O ATOM 935 CB ALA A 63 7.603 -0.771 5.398 1.00 0.45 C ATOM 0 H ALA A 63 8.698 -2.348 3.885 1.00 0.35 H new ATOM 0 HA ALA A 63 9.575 -1.036 6.190 1.00 0.40 H new ATOM 0 HB1 ALA A 63 7.262 -0.162 6.235 1.00 0.45 H new ATOM 0 HB2 ALA A 63 7.947 -0.122 4.593 1.00 0.45 H new ATOM 0 HB3 ALA A 63 6.779 -1.388 5.039 1.00 0.45 H new ATOM 941 N GLY A 64 7.665 -3.665 6.739 1.00 0.36 N ATOM 942 CA GLY A 64 7.330 -4.692 7.713 1.00 0.48 C ATOM 943 C GLY A 64 5.837 -4.987 7.691 1.00 0.59 C ATOM 944 O GLY A 64 5.167 -4.878 8.716 1.00 0.92 O ATOM 0 H GLY A 64 7.342 -3.883 5.796 1.00 0.36 H new ATOM 0 HA2 GLY A 64 7.889 -5.602 7.496 1.00 0.48 H new ATOM 0 HA3 GLY A 64 7.627 -4.366 8.710 1.00 0.48 H new ATOM 948 N TYR A 65 5.322 -5.380 6.524 1.00 0.41 N ATOM 949 CA TYR A 65 3.968 -5.889 6.362 1.00 0.47 C ATOM 950 C TYR A 65 4.034 -7.214 5.607 1.00 0.46 C ATOM 951 O TYR A 65 5.116 -7.645 5.215 1.00 1.15 O ATOM 952 CB TYR A 65 3.110 -4.851 5.629 1.00 0.60 C ATOM 953 CG TYR A 65 3.080 -3.507 6.330 1.00 0.75 C ATOM 954 CD1 TYR A 65 2.525 -3.417 7.619 1.00 1.63 C ATOM 955 CD2 TYR A 65 3.821 -2.427 5.816 1.00 2.07 C ATOM 956 CE1 TYR A 65 2.814 -2.308 8.432 1.00 1.64 C ATOM 957 CE2 TYR A 65 4.063 -1.294 6.610 1.00 2.09 C ATOM 958 CZ TYR A 65 3.615 -1.265 7.940 1.00 0.85 C ATOM 959 OH TYR A 65 4.022 -0.259 8.764 1.00 0.97 O ATOM 0 H TYR A 65 5.849 -5.351 5.651 1.00 0.41 H new ATOM 0 HA TYR A 65 3.502 -6.068 7.331 1.00 0.47 H new ATOM 0 HB2 TYR A 65 3.494 -4.719 4.618 1.00 0.60 H new ATOM 0 HB3 TYR A 65 2.092 -5.229 5.536 1.00 0.60 H new ATOM 0 HD1 TYR A 65 1.877 -4.200 7.984 1.00 1.63 H new ATOM 0 HD2 TYR A 65 4.205 -2.469 4.807 1.00 2.07 H new ATOM 0 HE1 TYR A 65 2.420 -2.258 9.436 1.00 1.64 H new ATOM 0 HE2 TYR A 65 4.592 -0.447 6.198 1.00 2.09 H new ATOM 0 HH TYR A 65 3.618 -0.377 9.649 1.00 0.97 H new ATOM 969 N SER A 66 2.881 -7.857 5.408 1.00 0.72 N ATOM 970 CA SER A 66 2.763 -9.040 4.578 1.00 0.57 C ATOM 971 C SER A 66 1.513 -8.874 3.719 1.00 0.46 C ATOM 972 O SER A 66 0.439 -8.578 4.248 1.00 0.63 O ATOM 973 CB SER A 66 2.747 -10.303 5.448 1.00 0.72 C ATOM 974 OG SER A 66 1.780 -10.228 6.477 1.00 2.13 O ATOM 0 H SER A 66 1.999 -7.561 5.826 1.00 0.72 H new ATOM 0 HA SER A 66 3.621 -9.156 3.916 1.00 0.57 H new ATOM 0 HB2 SER A 66 2.543 -11.171 4.822 1.00 0.72 H new ATOM 0 HB3 SER A 66 3.733 -10.452 5.888 1.00 0.72 H new ATOM 0 HG SER A 66 1.801 -11.052 7.007 1.00 2.13 H new ATOM 980 N LEU A 67 1.672 -9.004 2.399 1.00 0.44 N ATOM 981 CA LEU A 67 0.611 -8.853 1.430 1.00 0.44 C ATOM 982 C LEU A 67 0.818 -9.822 0.269 1.00 0.44 C ATOM 983 O LEU A 67 1.846 -10.496 0.151 1.00 0.44 O ATOM 984 CB LEU A 67 0.525 -7.392 0.961 1.00 0.38 C ATOM 985 CG LEU A 67 1.882 -6.764 0.629 1.00 0.44 C ATOM 986 CD1 LEU A 67 1.807 -6.096 -0.727 1.00 1.30 C ATOM 987 CD2 LEU A 67 2.214 -5.678 1.651 1.00 1.64 C ATOM 0 H LEU A 67 2.573 -9.224 1.974 1.00 0.44 H new ATOM 0 HA LEU A 67 -0.344 -9.101 1.894 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -0.113 -7.341 0.079 1.00 0.38 H new ATOM 0 HB3 LEU A 67 0.042 -6.799 1.738 1.00 0.38 H new ATOM 0 HG LEU A 67 2.640 -7.547 0.640 1.00 0.44 H new ATOM 0 HD11 LEU A 67 2.772 -5.648 -0.966 1.00 1.30 H new ATOM 0 HD12 LEU A 67 1.554 -6.838 -1.484 1.00 1.30 H new ATOM 0 HD13 LEU A 67 1.041 -5.320 -0.709 1.00 1.30 H new ATOM 0 HD21 LEU A 67 3.180 -5.235 1.410 1.00 1.64 H new ATOM 0 HD22 LEU A 67 1.444 -4.907 1.625 1.00 1.64 H new ATOM 0 HD23 LEU A 67 2.255 -6.117 2.648 1.00 1.64 H new ATOM 999 N ARG A 68 -0.220 -9.941 -0.555 1.00 0.56 N ATOM 1000 CA ARG A 68 -0.275 -10.796 -1.724 1.00 0.65 C ATOM 1001 C ARG A 68 -0.964 -9.904 -2.744 1.00 0.75 C ATOM 1002 O ARG A 68 -2.038 -9.380 -2.441 1.00 1.01 O ATOM 1003 CB ARG A 68 -1.093 -12.070 -1.444 1.00 0.75 C ATOM 1004 CG ARG A 68 -0.885 -12.693 -0.052 1.00 0.50 C ATOM 1005 CD ARG A 68 0.090 -13.874 -0.047 1.00 1.59 C ATOM 1006 NE ARG A 68 1.429 -13.495 -0.529 1.00 2.75 N ATOM 1007 CZ ARG A 68 2.318 -14.370 -1.036 1.00 3.68 C ATOM 1008 NH1 ARG A 68 2.039 -15.681 -1.042 1.00 3.78 N ATOM 1009 NH2 ARG A 68 3.481 -13.940 -1.535 1.00 5.17 N ATOM 0 H ARG A 68 -1.083 -9.417 -0.414 1.00 0.56 H new ATOM 0 HA ARG A 68 0.700 -11.156 -2.051 1.00 0.65 H new ATOM 0 HB2 ARG A 68 -2.151 -11.837 -1.565 1.00 0.75 H new ATOM 0 HB3 ARG A 68 -0.843 -12.816 -2.199 1.00 0.75 H new ATOM 0 HG2 ARG A 68 -0.516 -11.926 0.629 1.00 0.50 H new ATOM 0 HG3 ARG A 68 -1.848 -13.026 0.335 1.00 0.50 H new ATOM 0 HD2 ARG A 68 0.170 -14.272 0.964 1.00 1.59 H new ATOM 0 HD3 ARG A 68 -0.307 -14.673 -0.674 1.00 1.59 H new ATOM 0 HE ARG A 68 1.699 -12.513 -0.476 1.00 2.75 H new ATOM 0 HH11 ARG A 68 1.153 -16.016 -0.663 1.00 3.78 H new ATOM 0 HH12 ARG A 68 2.712 -16.344 -1.426 1.00 3.78 H new ATOM 0 HH21 ARG A 68 3.700 -12.944 -1.533 1.00 5.17 H new ATOM 0 HH22 ARG A 68 4.150 -14.608 -1.918 1.00 5.17 H new ATOM 1023 N ASP A 69 -0.306 -9.643 -3.869 1.00 0.64 N ATOM 1024 CA ASP A 69 -0.709 -8.608 -4.810 1.00 0.56 C ATOM 1025 C ASP A 69 -2.089 -8.869 -5.384 1.00 0.53 C ATOM 1026 O ASP A 69 -2.295 -9.673 -6.292 1.00 0.97 O ATOM 1027 CB ASP A 69 0.314 -8.341 -5.905 1.00 0.73 C ATOM 1028 CG ASP A 69 0.630 -9.545 -6.773 1.00 1.57 C ATOM 1029 OD1 ASP A 69 0.976 -10.594 -6.186 1.00 2.73 O ATOM 1030 OD2 ASP A 69 0.538 -9.359 -8.010 1.00 2.33 O ATOM 0 H ASP A 69 0.531 -10.151 -4.155 1.00 0.64 H new ATOM 0 HA ASP A 69 -0.760 -7.690 -4.225 1.00 0.56 H new ATOM 0 HB2 ASP A 69 -0.054 -7.536 -6.541 1.00 0.73 H new ATOM 0 HB3 ASP A 69 1.237 -7.987 -5.445 1.00 0.73 H new ATOM 1035 N GLU A 70 -3.051 -8.158 -4.816 1.00 0.43 N ATOM 1036 CA GLU A 70 -4.437 -8.460 -5.006 1.00 0.52 C ATOM 1037 C GLU A 70 -4.926 -7.891 -6.326 1.00 0.59 C ATOM 1038 O GLU A 70 -4.288 -7.046 -6.950 1.00 0.72 O ATOM 1039 CB GLU A 70 -5.160 -7.868 -3.810 1.00 0.72 C ATOM 1040 CG GLU A 70 -6.517 -8.469 -3.580 1.00 0.49 C ATOM 1041 CD GLU A 70 -7.073 -8.011 -2.245 1.00 2.23 C ATOM 1042 OE1 GLU A 70 -7.199 -6.783 -2.062 1.00 3.39 O ATOM 1043 OE2 GLU A 70 -7.279 -8.926 -1.418 1.00 3.38 O ATOM 0 H GLU A 70 -2.878 -7.355 -4.211 1.00 0.43 H new ATOM 0 HA GLU A 70 -4.624 -9.532 -5.062 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -4.550 -8.012 -2.918 1.00 0.72 H new ATOM 0 HB3 GLU A 70 -5.266 -6.793 -3.954 1.00 0.72 H new ATOM 0 HG2 GLU A 70 -7.193 -8.177 -4.383 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -6.449 -9.557 -3.600 1.00 0.49 H new ATOM 1050 N GLN A 71 -6.067 -8.392 -6.767 1.00 0.71 N ATOM 1051 CA GLN A 71 -6.716 -7.926 -7.973 1.00 0.80 C ATOM 1052 C GLN A 71 -7.039 -6.430 -7.869 1.00 0.98 C ATOM 1053 O GLN A 71 -7.262 -5.895 -6.783 1.00 1.24 O ATOM 1054 CB GLN A 71 -7.956 -8.784 -8.268 1.00 0.95 C ATOM 1055 CG GLN A 71 -8.335 -8.819 -9.756 1.00 2.02 C ATOM 1056 CD GLN A 71 -7.244 -9.463 -10.610 1.00 3.79 C ATOM 1057 OE1 GLN A 71 -7.218 -10.673 -10.797 1.00 4.25 O ATOM 1058 NE2 GLN A 71 -6.299 -8.668 -11.113 1.00 5.44 N ATOM 0 H GLN A 71 -6.571 -9.140 -6.291 1.00 0.71 H new ATOM 0 HA GLN A 71 -6.038 -8.039 -8.819 1.00 0.80 H new ATOM 0 HB2 GLN A 71 -7.774 -9.802 -7.923 1.00 0.95 H new ATOM 0 HB3 GLN A 71 -8.800 -8.399 -7.695 1.00 0.95 H new ATOM 0 HG2 GLN A 71 -9.266 -9.372 -9.880 1.00 2.02 H new ATOM 0 HG3 GLN A 71 -8.518 -7.804 -10.107 1.00 2.02 H new ATOM 0 HE21 GLN A 71 -6.337 -7.662 -10.947 1.00 5.44 H new ATOM 0 HE22 GLN A 71 -5.538 -9.066 -11.664 1.00 5.44 H new