USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 160:sc=-0.00144 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.23 K(o=-1.2,f=0.47) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.675 K(o=-0.68,f=-0.13) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.596 (180deg=-1.57!) USER MOD Single : A 37 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= -0.86 K(o=-0.86,f=-0.041) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 48 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.27) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -60:sc= -0.115 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.017 -9.224 1.478 1.00 0.00 N ATOM 2 CA GLY A 1 -21.597 -8.962 1.624 1.00 0.00 C ATOM 3 C GLY A 1 -20.922 -9.933 2.571 1.00 0.00 C ATOM 4 O GLY A 1 -21.411 -10.176 3.675 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.432 -8.533 0.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.156 -10.184 1.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.482 -9.143 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.118 -9.020 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.454 -7.945 1.989 1.00 0.00 H new ATOM 8 N SER A 2 -19.796 -10.493 2.140 1.00 0.00 N ATOM 9 CA SER A 2 -19.056 -11.448 2.956 1.00 0.00 C ATOM 10 C SER A 2 -18.323 -10.740 4.092 1.00 0.00 C ATOM 11 O SER A 2 -17.469 -9.885 3.856 1.00 0.00 O ATOM 12 CB SER A 2 -18.057 -12.222 2.093 1.00 0.00 C ATOM 13 OG SER A 2 -17.398 -13.222 2.849 1.00 0.00 O ATOM 0 H SER A 2 -19.376 -10.302 1.230 1.00 0.00 H new ATOM 0 HA SER A 2 -19.770 -12.148 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.577 -12.681 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.322 -11.534 1.676 1.00 0.00 H new ATOM 0 HG SER A 2 -16.766 -13.703 2.275 1.00 0.00 H new ATOM 19 N SER A 3 -18.664 -11.102 5.324 1.00 0.00 N ATOM 20 CA SER A 3 -18.042 -10.500 6.497 1.00 0.00 C ATOM 21 C SER A 3 -16.689 -11.143 6.786 1.00 0.00 C ATOM 22 O SER A 3 -15.720 -10.457 7.108 1.00 0.00 O ATOM 23 CB SER A 3 -18.957 -10.643 7.715 1.00 0.00 C ATOM 24 OG SER A 3 -19.309 -11.998 7.933 1.00 0.00 O ATOM 0 H SER A 3 -19.368 -11.809 5.536 1.00 0.00 H new ATOM 0 HA SER A 3 -17.885 -9.441 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.456 -10.248 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.859 -10.049 7.568 1.00 0.00 H new ATOM 0 HG SER A 3 -19.892 -12.062 8.718 1.00 0.00 H new ATOM 30 N GLY A 4 -16.632 -12.466 6.666 1.00 0.00 N ATOM 31 CA GLY A 4 -15.394 -13.180 6.917 1.00 0.00 C ATOM 32 C GLY A 4 -14.586 -13.401 5.654 1.00 0.00 C ATOM 33 O GLY A 4 -14.365 -14.539 5.240 1.00 0.00 O ATOM 0 H GLY A 4 -17.421 -13.056 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.794 -12.620 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.620 -14.144 7.373 1.00 0.00 H new ATOM 37 N SER A 5 -14.143 -12.309 5.038 1.00 0.00 N ATOM 38 CA SER A 5 -13.360 -12.388 3.811 1.00 0.00 C ATOM 39 C SER A 5 -11.994 -11.732 3.995 1.00 0.00 C ATOM 40 O SER A 5 -11.888 -10.509 4.082 1.00 0.00 O ATOM 41 CB SER A 5 -14.109 -11.718 2.658 1.00 0.00 C ATOM 42 OG SER A 5 -13.453 -11.945 1.422 1.00 0.00 O ATOM 0 H SER A 5 -14.313 -11.359 5.369 1.00 0.00 H new ATOM 0 HA SER A 5 -13.209 -13.441 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.127 -12.104 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.183 -10.646 2.842 1.00 0.00 H new ATOM 0 HG SER A 5 -13.953 -11.508 0.701 1.00 0.00 H new ATOM 48 N SER A 6 -10.952 -12.555 4.053 1.00 0.00 N ATOM 49 CA SER A 6 -9.594 -12.057 4.231 1.00 0.00 C ATOM 50 C SER A 6 -9.114 -11.330 2.979 1.00 0.00 C ATOM 51 O SER A 6 -9.049 -11.910 1.896 1.00 0.00 O ATOM 52 CB SER A 6 -8.644 -13.210 4.560 1.00 0.00 C ATOM 53 OG SER A 6 -7.347 -12.730 4.869 1.00 0.00 O ATOM 0 H SER A 6 -11.023 -13.570 3.979 1.00 0.00 H new ATOM 0 HA SER A 6 -9.598 -11.351 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.035 -13.778 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.590 -13.894 3.713 1.00 0.00 H new ATOM 0 HG SER A 6 -6.857 -13.412 5.374 1.00 0.00 H new ATOM 59 N GLY A 7 -8.778 -10.052 3.135 1.00 0.00 N ATOM 60 CA GLY A 7 -8.309 -9.265 2.010 1.00 0.00 C ATOM 61 C GLY A 7 -6.797 -9.169 1.961 1.00 0.00 C ATOM 62 O GLY A 7 -6.106 -9.400 2.953 1.00 0.00 O ATOM 0 H GLY A 7 -8.823 -9.548 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.672 -9.709 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.732 -8.262 2.070 1.00 0.00 H new ATOM 66 N PRO A 8 -6.261 -8.823 0.781 1.00 0.00 N ATOM 67 CA PRO A 8 -4.815 -8.690 0.577 1.00 0.00 C ATOM 68 C PRO A 8 -4.235 -7.483 1.307 1.00 0.00 C ATOM 69 O PRO A 8 -4.947 -6.522 1.600 1.00 0.00 O ATOM 70 CB PRO A 8 -4.685 -8.513 -0.938 1.00 0.00 C ATOM 71 CG PRO A 8 -5.993 -7.942 -1.366 1.00 0.00 C ATOM 72 CD PRO A 8 -7.024 -8.533 -0.444 1.00 0.00 C ATOM 0 HA PRO A 8 -4.268 -9.548 0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.860 -7.846 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.487 -9.464 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.985 -6.854 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.208 -8.194 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.840 -7.835 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.468 -9.436 -0.864 1.00 0.00 H new ATOM 80 N ARG A 9 -2.939 -7.539 1.596 1.00 0.00 N ATOM 81 CA ARG A 9 -2.264 -6.450 2.292 1.00 0.00 C ATOM 82 C ARG A 9 -0.926 -6.130 1.632 1.00 0.00 C ATOM 83 O ARG A 9 -0.401 -6.925 0.853 1.00 0.00 O ATOM 84 CB ARG A 9 -2.047 -6.813 3.762 1.00 0.00 C ATOM 85 CG ARG A 9 -3.337 -6.944 4.554 1.00 0.00 C ATOM 86 CD ARG A 9 -3.112 -7.674 5.869 1.00 0.00 C ATOM 87 NE ARG A 9 -2.291 -6.896 6.793 1.00 0.00 N ATOM 88 CZ ARG A 9 -1.579 -7.436 7.776 1.00 0.00 C ATOM 89 NH1 ARG A 9 -1.586 -8.749 7.961 1.00 0.00 N ATOM 90 NH2 ARG A 9 -0.857 -6.662 8.576 1.00 0.00 N ATOM 0 H ARG A 9 -2.336 -8.327 1.359 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.899 -5.566 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.499 -7.754 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.421 -6.051 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.746 -5.953 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.077 -7.481 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.074 -7.890 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.630 -8.632 5.674 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.263 -5.883 6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.139 -9.348 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.038 -9.160 8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.848 -5.652 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.311 -7.077 9.331 1.00 0.00 H new ATOM 104 N ALA A 10 -0.380 -4.961 1.950 1.00 0.00 N ATOM 105 CA ALA A 10 0.898 -4.537 1.390 1.00 0.00 C ATOM 106 C ALA A 10 1.837 -4.036 2.482 1.00 0.00 C ATOM 107 O ALA A 10 1.414 -3.348 3.412 1.00 0.00 O ATOM 108 CB ALA A 10 0.681 -3.456 0.341 1.00 0.00 C ATOM 0 H ALA A 10 -0.802 -4.291 2.592 1.00 0.00 H new ATOM 0 HA ALA A 10 1.364 -5.401 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.643 -3.148 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.054 -3.847 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.191 -2.597 0.800 1.00 0.00 H new ATOM 114 N LYS A 11 3.113 -4.386 2.365 1.00 0.00 N ATOM 115 CA LYS A 11 4.114 -3.973 3.342 1.00 0.00 C ATOM 116 C LYS A 11 5.082 -2.963 2.734 1.00 0.00 C ATOM 117 O LYS A 11 5.647 -3.196 1.666 1.00 0.00 O ATOM 118 CB LYS A 11 4.886 -5.189 3.858 1.00 0.00 C ATOM 119 CG LYS A 11 6.056 -4.829 4.757 1.00 0.00 C ATOM 120 CD LYS A 11 6.658 -6.063 5.409 1.00 0.00 C ATOM 121 CE LYS A 11 8.143 -5.879 5.685 1.00 0.00 C ATOM 122 NZ LYS A 11 8.739 -7.080 6.332 1.00 0.00 N ATOM 0 H LYS A 11 3.479 -4.956 1.602 1.00 0.00 H new ATOM 0 HA LYS A 11 3.597 -3.499 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.203 -5.837 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.255 -5.762 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.820 -4.315 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.723 -4.134 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.137 -6.274 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.512 -6.927 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.664 -5.674 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.288 -5.010 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.751 -6.915 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.259 -7.261 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.623 -7.904 5.708 1.00 0.00 H new ATOM 136 N ALA A 12 5.270 -1.842 3.422 1.00 0.00 N ATOM 137 CA ALA A 12 6.173 -0.799 2.952 1.00 0.00 C ATOM 138 C ALA A 12 7.599 -1.323 2.826 1.00 0.00 C ATOM 139 O ALA A 12 8.044 -2.141 3.632 1.00 0.00 O ATOM 140 CB ALA A 12 6.129 0.399 3.888 1.00 0.00 C ATOM 0 H ALA A 12 4.809 -1.633 4.307 1.00 0.00 H new ATOM 0 HA ALA A 12 5.841 -0.485 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.808 1.170 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.115 0.796 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.432 0.090 4.888 1.00 0.00 H new ATOM 146 N LEU A 13 8.312 -0.848 1.811 1.00 0.00 N ATOM 147 CA LEU A 13 9.690 -1.269 1.580 1.00 0.00 C ATOM 148 C LEU A 13 10.655 -0.104 1.774 1.00 0.00 C ATOM 149 O LEU A 13 11.825 -0.304 2.103 1.00 0.00 O ATOM 150 CB LEU A 13 9.839 -1.841 0.169 1.00 0.00 C ATOM 151 CG LEU A 13 9.075 -3.135 -0.115 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.997 -3.391 -1.612 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.732 -4.309 0.595 1.00 0.00 C ATOM 0 H LEU A 13 7.959 -0.171 1.135 1.00 0.00 H new ATOM 0 HA LEU A 13 9.934 -2.043 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.511 -1.085 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.898 -2.019 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 13 8.060 -3.027 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.450 -4.316 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.481 -2.562 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.004 -3.479 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.175 -5.221 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.758 -4.419 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.735 -4.129 1.670 1.00 0.00 H new ATOM 165 N CYS A 14 10.158 1.110 1.570 1.00 0.00 N ATOM 166 CA CYS A 14 10.976 2.308 1.723 1.00 0.00 C ATOM 167 C CYS A 14 10.118 3.506 2.116 1.00 0.00 C ATOM 168 O CYS A 14 8.919 3.538 1.845 1.00 0.00 O ATOM 169 CB CYS A 14 11.728 2.607 0.425 1.00 0.00 C ATOM 170 SG CYS A 14 10.654 2.874 -1.005 1.00 0.00 S ATOM 0 H CYS A 14 9.192 1.291 1.298 1.00 0.00 H new ATOM 0 HA CYS A 14 11.698 2.125 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.347 3.492 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.403 1.779 0.210 1.00 0.00 H new ATOM 0 HG CYS A 14 11.381 3.122 -2.054 1.00 0.00 H new ATOM 176 N ASN A 15 10.742 4.488 2.758 1.00 0.00 N ATOM 177 CA ASN A 15 10.035 5.688 3.191 1.00 0.00 C ATOM 178 C ASN A 15 9.316 6.348 2.019 1.00 0.00 C ATOM 179 O ASN A 15 9.950 6.871 1.102 1.00 0.00 O ATOM 180 CB ASN A 15 11.011 6.679 3.828 1.00 0.00 C ATOM 181 CG ASN A 15 12.300 6.810 3.039 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.284 7.157 1.857 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.423 6.531 3.690 1.00 0.00 N ATOM 0 H ASN A 15 11.735 4.477 2.990 1.00 0.00 H new ATOM 0 HA ASN A 15 9.292 5.394 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.534 7.656 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.241 6.356 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.321 6.600 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.388 6.247 4.669 1.00 0.00 H new ATOM 190 N TYR A 16 7.988 6.321 2.055 1.00 0.00 N ATOM 191 CA TYR A 16 7.182 6.915 0.995 1.00 0.00 C ATOM 192 C TYR A 16 6.333 8.063 1.534 1.00 0.00 C ATOM 193 O TYR A 16 5.476 8.599 0.832 1.00 0.00 O ATOM 194 CB TYR A 16 6.281 5.856 0.357 1.00 0.00 C ATOM 195 CG TYR A 16 5.927 6.151 -1.083 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.865 5.995 -2.096 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.653 6.585 -1.431 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.546 6.264 -3.413 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.325 6.855 -2.745 1.00 0.00 C ATOM 200 CZ TYR A 16 5.275 6.694 -3.732 1.00 0.00 C ATOM 201 OH TYR A 16 4.952 6.961 -5.043 1.00 0.00 O ATOM 0 H TYR A 16 7.447 5.894 2.807 1.00 0.00 H new ATOM 0 HA TYR A 16 7.858 7.312 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.779 4.888 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.363 5.774 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.861 5.658 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.907 6.713 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.287 6.138 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.330 7.190 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 16 4.018 7.251 -5.097 1.00 0.00 H new ATOM 211 N ARG A 17 6.580 8.435 2.786 1.00 0.00 N ATOM 212 CA ARG A 17 5.839 9.518 3.421 1.00 0.00 C ATOM 213 C ARG A 17 6.395 10.876 3.001 1.00 0.00 C ATOM 214 O ARG A 17 6.090 11.899 3.612 1.00 0.00 O ATOM 215 CB ARG A 17 5.897 9.380 4.943 1.00 0.00 C ATOM 216 CG ARG A 17 7.309 9.415 5.505 1.00 0.00 C ATOM 217 CD ARG A 17 7.770 10.841 5.765 1.00 0.00 C ATOM 218 NE ARG A 17 9.061 10.882 6.447 1.00 0.00 N ATOM 219 CZ ARG A 17 9.486 11.925 7.152 1.00 0.00 C ATOM 220 NH1 ARG A 17 8.727 13.006 7.267 1.00 0.00 N ATOM 221 NH2 ARG A 17 10.673 11.888 7.744 1.00 0.00 N ATOM 0 H ARG A 17 7.287 8.002 3.380 1.00 0.00 H new ATOM 0 HA ARG A 17 4.800 9.453 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.315 10.184 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.423 8.442 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.347 8.844 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.992 8.932 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.843 11.377 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.024 11.359 6.368 1.00 0.00 H new ATOM 0 HE ARG A 17 9.669 10.066 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.814 13.039 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.056 13.805 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.260 11.058 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.998 12.689 8.285 1.00 0.00 H new ATOM 235 N GLY A 18 7.214 10.876 1.953 1.00 0.00 N ATOM 236 CA GLY A 18 7.800 12.113 1.470 1.00 0.00 C ATOM 237 C GLY A 18 6.766 13.056 0.889 1.00 0.00 C ATOM 238 O GLY A 18 5.681 13.221 1.447 1.00 0.00 O ATOM 0 H GLY A 18 7.482 10.042 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.320 12.609 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.547 11.885 0.710 1.00 0.00 H new ATOM 242 N LYS A 19 7.102 13.679 -0.236 1.00 0.00 N ATOM 243 CA LYS A 19 6.195 14.611 -0.895 1.00 0.00 C ATOM 244 C LYS A 19 5.829 14.119 -2.292 1.00 0.00 C ATOM 245 O LYS A 19 6.644 14.172 -3.212 1.00 0.00 O ATOM 246 CB LYS A 19 6.834 15.999 -0.983 1.00 0.00 C ATOM 247 CG LYS A 19 8.349 15.979 -0.882 1.00 0.00 C ATOM 248 CD LYS A 19 8.980 15.328 -2.101 1.00 0.00 C ATOM 249 CE LYS A 19 10.490 15.216 -1.954 1.00 0.00 C ATOM 250 NZ LYS A 19 11.114 14.552 -3.132 1.00 0.00 N ATOM 0 H LYS A 19 7.996 13.555 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 19 5.283 14.674 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.547 16.462 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.433 16.625 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.721 16.998 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.648 15.438 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.553 14.336 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.742 15.911 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.918 16.211 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.726 14.652 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.143 14.495 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.725 13.593 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.910 15.104 -3.990 1.00 0.00 H new ATOM 264 N ASN A 20 4.598 13.643 -2.443 1.00 0.00 N ATOM 265 CA ASN A 20 4.124 13.142 -3.728 1.00 0.00 C ATOM 266 C ASN A 20 2.773 13.755 -4.086 1.00 0.00 C ATOM 267 O ASN A 20 1.977 14.112 -3.218 1.00 0.00 O ATOM 268 CB ASN A 20 4.013 11.617 -3.695 1.00 0.00 C ATOM 269 CG ASN A 20 5.318 10.934 -4.057 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.574 10.641 -5.225 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.149 10.677 -3.054 1.00 0.00 N ATOM 0 H ASN A 20 3.910 13.593 -1.691 1.00 0.00 H new ATOM 0 HA ASN A 20 4.847 13.430 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.704 11.299 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.234 11.297 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.042 10.219 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.895 10.938 -2.101 1.00 0.00 H new ATOM 278 N PRO A 21 2.507 13.878 -5.394 1.00 0.00 N ATOM 279 CA PRO A 21 1.253 14.446 -5.897 1.00 0.00 C ATOM 280 C PRO A 21 0.059 13.532 -5.641 1.00 0.00 C ATOM 281 O PRO A 21 -0.078 12.483 -6.269 1.00 0.00 O ATOM 282 CB PRO A 21 1.505 14.587 -7.401 1.00 0.00 C ATOM 283 CG PRO A 21 2.543 13.564 -7.709 1.00 0.00 C ATOM 284 CD PRO A 21 3.411 13.473 -6.484 1.00 0.00 C ATOM 0 HA PRO A 21 1.004 15.385 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.594 14.411 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.851 15.590 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.086 12.601 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.129 13.853 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.792 12.463 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.276 14.132 -6.555 1.00 0.00 H new ATOM 292 N GLY A 22 -0.803 13.938 -4.714 1.00 0.00 N ATOM 293 CA GLY A 22 -1.974 13.144 -4.392 1.00 0.00 C ATOM 294 C GLY A 22 -1.640 11.682 -4.171 1.00 0.00 C ATOM 295 O GLY A 22 -2.242 10.801 -4.786 1.00 0.00 O ATOM 0 H GLY A 22 -0.711 14.802 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.446 13.545 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.701 13.229 -5.200 1.00 0.00 H new ATOM 299 N ASP A 23 -0.678 11.422 -3.293 1.00 0.00 N ATOM 300 CA ASP A 23 -0.264 10.057 -2.993 1.00 0.00 C ATOM 301 C ASP A 23 -0.473 9.738 -1.516 1.00 0.00 C ATOM 302 O ASP A 23 -0.957 10.574 -0.752 1.00 0.00 O ATOM 303 CB ASP A 23 1.204 9.851 -3.370 1.00 0.00 C ATOM 304 CG ASP A 23 1.378 9.445 -4.820 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.964 10.220 -5.707 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.928 8.351 -5.068 1.00 0.00 O ATOM 0 H ASP A 23 -0.170 12.140 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.880 9.379 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.756 10.772 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.637 9.085 -2.727 1.00 0.00 H new ATOM 311 N LEU A 24 -0.106 8.524 -1.121 1.00 0.00 N ATOM 312 CA LEU A 24 -0.253 8.094 0.266 1.00 0.00 C ATOM 313 C LEU A 24 1.099 8.052 0.970 1.00 0.00 C ATOM 314 O LEU A 24 2.057 7.465 0.464 1.00 0.00 O ATOM 315 CB LEU A 24 -0.915 6.716 0.325 1.00 0.00 C ATOM 316 CG LEU A 24 -1.665 6.386 1.616 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.821 5.438 1.334 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.718 5.786 2.644 1.00 0.00 C ATOM 0 H LEU A 24 0.295 7.820 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.886 8.817 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.613 6.635 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.146 5.959 0.172 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.072 7.311 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.343 5.214 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.512 5.906 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.437 4.514 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.269 5.557 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.281 4.871 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.075 6.499 2.868 1.00 0.00 H new ATOM 330 N LYS A 25 1.171 8.676 2.140 1.00 0.00 N ATOM 331 CA LYS A 25 2.404 8.708 2.917 1.00 0.00 C ATOM 332 C LYS A 25 2.438 7.569 3.932 1.00 0.00 C ATOM 333 O LYS A 25 1.535 7.435 4.759 1.00 0.00 O ATOM 334 CB LYS A 25 2.543 10.051 3.637 1.00 0.00 C ATOM 335 CG LYS A 25 2.947 11.193 2.720 1.00 0.00 C ATOM 336 CD LYS A 25 3.295 12.445 3.509 1.00 0.00 C ATOM 337 CE LYS A 25 2.059 13.069 4.138 1.00 0.00 C ATOM 338 NZ LYS A 25 1.404 14.045 3.224 1.00 0.00 N ATOM 0 H LYS A 25 0.388 9.167 2.572 1.00 0.00 H new ATOM 0 HA LYS A 25 3.240 8.583 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.595 10.298 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.284 9.954 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.804 10.891 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.133 11.412 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.015 12.197 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.775 13.169 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.349 12.284 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.337 13.570 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.566 14.448 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.073 14.808 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.116 13.562 2.349 1.00 0.00 H new ATOM 352 N PHE A 26 3.484 6.753 3.864 1.00 0.00 N ATOM 353 CA PHE A 26 3.635 5.627 4.778 1.00 0.00 C ATOM 354 C PHE A 26 5.099 5.428 5.159 1.00 0.00 C ATOM 355 O PHE A 26 6.002 5.885 4.459 1.00 0.00 O ATOM 356 CB PHE A 26 3.085 4.349 4.141 1.00 0.00 C ATOM 357 CG PHE A 26 3.596 4.105 2.749 1.00 0.00 C ATOM 358 CD1 PHE A 26 2.940 4.641 1.653 1.00 0.00 C ATOM 359 CD2 PHE A 26 4.732 3.340 2.538 1.00 0.00 C ATOM 360 CE1 PHE A 26 3.408 4.417 0.371 1.00 0.00 C ATOM 361 CE2 PHE A 26 5.204 3.113 1.259 1.00 0.00 C ATOM 362 CZ PHE A 26 4.542 3.653 0.174 1.00 0.00 C ATOM 0 H PHE A 26 4.240 6.850 3.186 1.00 0.00 H new ATOM 0 HA PHE A 26 3.069 5.848 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.346 3.498 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.997 4.405 4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.054 5.240 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.255 2.916 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.887 4.839 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.090 2.514 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.910 3.478 -0.826 1.00 0.00 H new ATOM 372 N ASN A 27 5.326 4.744 6.276 1.00 0.00 N ATOM 373 CA ASN A 27 6.680 4.486 6.753 1.00 0.00 C ATOM 374 C ASN A 27 7.087 3.042 6.478 1.00 0.00 C ATOM 375 O ASN A 27 6.247 2.143 6.448 1.00 0.00 O ATOM 376 CB ASN A 27 6.780 4.780 8.251 1.00 0.00 C ATOM 377 CG ASN A 27 6.410 6.212 8.585 1.00 0.00 C ATOM 378 OD1 ASN A 27 5.364 6.472 9.181 1.00 0.00 O ATOM 379 ND2 ASN A 27 7.268 7.150 8.202 1.00 0.00 N ATOM 0 H ASN A 27 4.590 4.359 6.868 1.00 0.00 H new ATOM 0 HA ASN A 27 7.360 5.145 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.124 4.101 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.797 4.582 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.072 8.131 8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.123 6.889 7.710 1.00 0.00 H new ATOM 386 N LYS A 28 8.383 2.826 6.279 1.00 0.00 N ATOM 387 CA LYS A 28 8.904 1.491 6.008 1.00 0.00 C ATOM 388 C LYS A 28 8.404 0.491 7.046 1.00 0.00 C ATOM 389 O LYS A 28 8.449 0.754 8.247 1.00 0.00 O ATOM 390 CB LYS A 28 10.434 1.511 5.999 1.00 0.00 C ATOM 391 CG LYS A 28 11.051 0.465 5.087 1.00 0.00 C ATOM 392 CD LYS A 28 12.502 0.196 5.447 1.00 0.00 C ATOM 393 CE LYS A 28 12.624 -0.912 6.482 1.00 0.00 C ATOM 394 NZ LYS A 28 12.265 -0.437 7.847 1.00 0.00 N ATOM 0 H LYS A 28 9.092 3.559 6.300 1.00 0.00 H new ATOM 0 HA LYS A 28 8.545 1.180 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.774 2.499 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.797 1.355 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.481 -0.461 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.988 0.801 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.055 -0.081 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.957 1.108 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.975 -1.742 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.645 -1.294 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.765 -1.009 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.540 0.561 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.239 -0.530 7.988 1.00 0.00 H new ATOM 408 N GLY A 29 7.929 -0.657 6.574 1.00 0.00 N ATOM 409 CA GLY A 29 7.429 -1.679 7.475 1.00 0.00 C ATOM 410 C GLY A 29 5.921 -1.640 7.616 1.00 0.00 C ATOM 411 O GLY A 29 5.266 -2.682 7.643 1.00 0.00 O ATOM 0 H GLY A 29 7.881 -0.898 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.731 -2.660 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.886 -1.549 8.456 1.00 0.00 H new ATOM 415 N ASP A 30 5.368 -0.436 7.709 1.00 0.00 N ATOM 416 CA ASP A 30 3.927 -0.264 7.849 1.00 0.00 C ATOM 417 C ASP A 30 3.176 -1.135 6.847 1.00 0.00 C ATOM 418 O ASP A 30 3.647 -1.365 5.733 1.00 0.00 O ATOM 419 CB ASP A 30 3.545 1.204 7.654 1.00 0.00 C ATOM 420 CG ASP A 30 3.973 2.073 8.820 1.00 0.00 C ATOM 421 OD1 ASP A 30 5.112 1.899 9.304 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.170 2.928 9.249 1.00 0.00 O ATOM 0 H ASP A 30 5.896 0.436 7.690 1.00 0.00 H new ATOM 0 HA ASP A 30 3.646 -0.574 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.004 1.577 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.466 1.281 7.524 1.00 0.00 H new ATOM 427 N VAL A 31 2.005 -1.619 7.251 1.00 0.00 N ATOM 428 CA VAL A 31 1.189 -2.465 6.388 1.00 0.00 C ATOM 429 C VAL A 31 -0.092 -1.751 5.971 1.00 0.00 C ATOM 430 O VAL A 31 -0.998 -1.556 6.782 1.00 0.00 O ATOM 431 CB VAL A 31 0.822 -3.788 7.085 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.189 -4.566 6.257 1.00 0.00 C ATOM 433 CG2 VAL A 31 2.070 -4.621 7.338 1.00 0.00 C ATOM 0 H VAL A 31 1.601 -1.440 8.170 1.00 0.00 H new ATOM 0 HA VAL A 31 1.785 -2.682 5.502 1.00 0.00 H new ATOM 0 HB VAL A 31 0.366 -3.557 8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.436 -5.498 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.093 -3.970 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.236 -4.789 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.792 -5.552 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.557 -4.844 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.756 -4.064 7.976 1.00 0.00 H new ATOM 443 N ILE A 32 -0.160 -1.364 4.702 1.00 0.00 N ATOM 444 CA ILE A 32 -1.331 -0.673 4.177 1.00 0.00 C ATOM 445 C ILE A 32 -2.378 -1.664 3.681 1.00 0.00 C ATOM 446 O ILE A 32 -2.046 -2.682 3.071 1.00 0.00 O ATOM 447 CB ILE A 32 -0.954 0.278 3.025 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.172 1.219 3.459 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.171 1.072 2.573 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.041 1.690 2.314 1.00 0.00 C ATOM 0 H ILE A 32 0.582 -1.517 4.019 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.747 -0.089 4.998 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.600 -0.317 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.262 2.087 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.797 0.710 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.888 1.739 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.945 0.386 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.553 1.660 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.817 2.353 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.504 0.830 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.429 2.227 1.590 1.00 0.00 H new ATOM 462 N LEU A 33 -3.644 -1.360 3.944 1.00 0.00 N ATOM 463 CA LEU A 33 -4.742 -2.223 3.522 1.00 0.00 C ATOM 464 C LEU A 33 -5.193 -1.879 2.107 1.00 0.00 C ATOM 465 O LEU A 33 -5.503 -0.725 1.806 1.00 0.00 O ATOM 466 CB LEU A 33 -5.919 -2.094 4.491 1.00 0.00 C ATOM 467 CG LEU A 33 -5.676 -2.599 5.913 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.106 -1.490 6.784 1.00 0.00 C ATOM 469 CD2 LEU A 33 -6.964 -3.143 6.514 1.00 0.00 C ATOM 0 H LEU A 33 -3.936 -0.522 4.448 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.385 -3.253 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.207 -1.044 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.768 -2.636 4.074 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.948 -3.409 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.940 -1.869 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.160 -1.148 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.809 -0.658 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.772 -3.498 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.714 -2.353 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.330 -3.969 5.904 1.00 0.00 H new ATOM 481 N LEU A 34 -5.230 -2.886 1.241 1.00 0.00 N ATOM 482 CA LEU A 34 -5.646 -2.690 -0.143 1.00 0.00 C ATOM 483 C LEU A 34 -7.158 -2.505 -0.236 1.00 0.00 C ATOM 484 O LEU A 34 -7.923 -3.439 -0.002 1.00 0.00 O ATOM 485 CB LEU A 34 -5.214 -3.881 -1.000 1.00 0.00 C ATOM 486 CG LEU A 34 -3.734 -3.930 -1.384 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.361 -5.312 -1.895 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.420 -2.869 -2.428 1.00 0.00 C ATOM 0 H LEU A 34 -4.977 -3.846 1.473 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.163 -1.787 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.460 -4.797 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.806 -3.878 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.139 -3.723 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.305 -5.328 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.549 -6.051 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.962 -5.550 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.363 -2.918 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.023 -3.045 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.649 -1.883 -2.024 1.00 0.00 H new ATOM 500 N ARG A 35 -7.579 -1.293 -0.583 1.00 0.00 N ATOM 501 CA ARG A 35 -8.999 -0.985 -0.708 1.00 0.00 C ATOM 502 C ARG A 35 -9.469 -1.164 -2.149 1.00 0.00 C ATOM 503 O ARG A 35 -10.532 -1.731 -2.400 1.00 0.00 O ATOM 504 CB ARG A 35 -9.275 0.447 -0.244 1.00 0.00 C ATOM 505 CG ARG A 35 -10.691 0.917 -0.531 1.00 0.00 C ATOM 506 CD ARG A 35 -11.672 0.399 0.509 1.00 0.00 C ATOM 507 NE ARG A 35 -13.055 0.715 0.162 1.00 0.00 N ATOM 508 CZ ARG A 35 -14.090 0.448 0.952 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.899 -0.135 2.127 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.319 0.766 0.566 1.00 0.00 N ATOM 0 H ARG A 35 -6.958 -0.509 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.553 -1.678 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.089 0.515 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.571 1.121 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.718 2.007 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.995 0.576 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.560 -0.681 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.434 0.833 1.480 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.236 1.165 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.956 -0.380 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.695 -0.338 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.470 1.215 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.113 0.561 1.172 1.00 0.00 H new ATOM 524 N ARG A 36 -8.669 -0.675 -3.091 1.00 0.00 N ATOM 525 CA ARG A 36 -9.004 -0.779 -4.506 1.00 0.00 C ATOM 526 C ARG A 36 -7.745 -0.956 -5.351 1.00 0.00 C ATOM 527 O ARG A 36 -6.748 -0.265 -5.147 1.00 0.00 O ATOM 528 CB ARG A 36 -9.768 0.464 -4.965 1.00 0.00 C ATOM 529 CG ARG A 36 -10.265 0.380 -6.398 1.00 0.00 C ATOM 530 CD ARG A 36 -10.885 1.692 -6.851 1.00 0.00 C ATOM 531 NE ARG A 36 -12.230 1.877 -6.312 1.00 0.00 N ATOM 532 CZ ARG A 36 -13.308 1.275 -6.803 1.00 0.00 C ATOM 533 NH1 ARG A 36 -13.199 0.454 -7.838 1.00 0.00 N ATOM 534 NH2 ARG A 36 -14.497 1.493 -6.258 1.00 0.00 N ATOM 0 H ARG A 36 -7.785 -0.203 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.638 -1.656 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.619 0.621 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.121 1.335 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.436 0.121 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.001 -0.420 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.251 2.521 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.924 1.717 -7.940 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.348 2.503 -5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.286 0.283 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.028 -0.007 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.585 2.123 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.324 1.030 -6.636 1.00 0.00 H new ATOM 548 N GLN A 37 -7.801 -1.886 -6.299 1.00 0.00 N ATOM 549 CA GLN A 37 -6.665 -2.154 -7.173 1.00 0.00 C ATOM 550 C GLN A 37 -6.892 -1.559 -8.559 1.00 0.00 C ATOM 551 O GLN A 37 -7.432 -2.218 -9.448 1.00 0.00 O ATOM 552 CB GLN A 37 -6.425 -3.661 -7.285 1.00 0.00 C ATOM 553 CG GLN A 37 -5.284 -4.027 -8.220 1.00 0.00 C ATOM 554 CD GLN A 37 -4.659 -5.366 -7.881 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.052 -6.021 -6.916 1.00 0.00 O ATOM 556 NE2 GLN A 37 -3.679 -5.780 -8.676 1.00 0.00 N ATOM 0 H GLN A 37 -8.620 -2.466 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.784 -1.684 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.214 -4.062 -6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.339 -4.141 -7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.653 -4.052 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.519 -3.252 -8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.385 -5.205 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.220 -6.673 -8.497 1.00 0.00 H new ATOM 565 N LEU A 38 -6.477 -0.309 -8.735 1.00 0.00 N ATOM 566 CA LEU A 38 -6.636 0.376 -10.013 1.00 0.00 C ATOM 567 C LEU A 38 -5.991 -0.421 -11.142 1.00 0.00 C ATOM 568 O LEU A 38 -6.516 -0.477 -12.254 1.00 0.00 O ATOM 569 CB LEU A 38 -6.019 1.774 -9.944 1.00 0.00 C ATOM 570 CG LEU A 38 -6.550 2.688 -8.839 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.618 3.872 -8.631 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.956 3.167 -9.172 1.00 0.00 C ATOM 0 H LEU A 38 -6.028 0.250 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.703 0.465 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.942 1.668 -9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.177 2.267 -10.903 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.592 2.117 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.012 4.511 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.630 3.511 -8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.543 4.443 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.318 3.816 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.939 3.720 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.620 2.308 -9.269 1.00 0.00 H new ATOM 584 N ASP A 39 -4.852 -1.038 -10.848 1.00 0.00 N ATOM 585 CA ASP A 39 -4.137 -1.836 -11.837 1.00 0.00 C ATOM 586 C ASP A 39 -2.953 -2.557 -11.201 1.00 0.00 C ATOM 587 O ASP A 39 -2.745 -2.480 -9.990 1.00 0.00 O ATOM 588 CB ASP A 39 -3.652 -0.949 -12.985 1.00 0.00 C ATOM 589 CG ASP A 39 -4.677 -0.826 -14.095 1.00 0.00 C ATOM 590 OD1 ASP A 39 -5.454 -1.783 -14.293 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.703 0.227 -14.766 1.00 0.00 O ATOM 0 H ASP A 39 -4.404 -1.001 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.826 -2.583 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.418 0.043 -12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.728 -1.359 -13.392 1.00 0.00 H new ATOM 596 N GLU A 40 -2.181 -3.259 -12.025 1.00 0.00 N ATOM 597 CA GLU A 40 -1.020 -3.996 -11.541 1.00 0.00 C ATOM 598 C GLU A 40 0.211 -3.095 -11.483 1.00 0.00 C ATOM 599 O GLU A 40 1.343 -3.565 -11.584 1.00 0.00 O ATOM 600 CB GLU A 40 -0.740 -5.200 -12.442 1.00 0.00 C ATOM 601 CG GLU A 40 -0.532 -4.833 -13.902 1.00 0.00 C ATOM 602 CD GLU A 40 -0.278 -6.045 -14.778 1.00 0.00 C ATOM 603 OE1 GLU A 40 0.602 -6.858 -14.424 1.00 0.00 O ATOM 604 OE2 GLU A 40 -0.958 -6.180 -15.816 1.00 0.00 O ATOM 0 H GLU A 40 -2.339 -3.333 -13.030 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.240 -4.348 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.147 -5.718 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.572 -5.900 -12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.411 -4.303 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.311 -4.147 -13.984 1.00 0.00 H new ATOM 611 N ASN A 41 -0.022 -1.796 -11.319 1.00 0.00 N ATOM 612 CA ASN A 41 1.067 -0.828 -11.248 1.00 0.00 C ATOM 613 C ASN A 41 0.933 0.051 -10.009 1.00 0.00 C ATOM 614 O ASN A 41 1.930 0.496 -9.440 1.00 0.00 O ATOM 615 CB ASN A 41 1.085 0.043 -12.506 1.00 0.00 C ATOM 616 CG ASN A 41 1.227 -0.776 -13.774 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.286 -0.793 -14.401 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.156 -1.461 -14.159 1.00 0.00 N ATOM 0 H ASN A 41 -0.954 -1.390 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 41 2.006 -1.378 -11.181 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.165 0.626 -12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.909 0.753 -12.441 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.191 -2.030 -15.005 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.702 -1.418 -13.609 1.00 0.00 H new ATOM 625 N TRP A 42 -0.305 0.297 -9.596 1.00 0.00 N ATOM 626 CA TRP A 42 -0.570 1.123 -8.423 1.00 0.00 C ATOM 627 C TRP A 42 -1.566 0.442 -7.491 1.00 0.00 C ATOM 628 O TRP A 42 -2.235 -0.518 -7.876 1.00 0.00 O ATOM 629 CB TRP A 42 -1.104 2.492 -8.848 1.00 0.00 C ATOM 630 CG TRP A 42 -0.086 3.333 -9.556 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.547 3.040 -10.730 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.419 4.605 -9.133 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.414 4.052 -11.062 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.354 5.024 -10.099 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.171 5.430 -8.033 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.039 6.232 -9.996 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.852 6.628 -7.932 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.777 7.020 -8.909 1.00 0.00 C ATOM 0 H TRP A 42 -1.141 -0.063 -10.056 1.00 0.00 H new ATOM 0 HA TRP A 42 0.368 1.258 -7.885 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.966 2.351 -9.501 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.456 3.026 -7.966 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.389 2.144 -11.312 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.007 4.076 -11.892 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.540 5.137 -7.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.752 6.536 -10.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.668 7.273 -7.086 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.293 7.963 -8.802 1.00 0.00 H new ATOM 649 N TYR A 43 -1.660 0.943 -6.265 1.00 0.00 N ATOM 650 CA TYR A 43 -2.574 0.381 -5.277 1.00 0.00 C ATOM 651 C TYR A 43 -3.203 1.481 -4.429 1.00 0.00 C ATOM 652 O TYR A 43 -2.504 2.326 -3.871 1.00 0.00 O ATOM 653 CB TYR A 43 -1.837 -0.614 -4.378 1.00 0.00 C ATOM 654 CG TYR A 43 -1.351 -1.845 -5.108 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.223 -2.619 -5.863 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.019 -2.234 -5.044 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.784 -3.746 -6.531 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.430 -3.358 -5.709 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.456 -4.111 -6.451 1.00 0.00 C ATOM 660 OH TYR A 43 -0.014 -5.232 -7.116 1.00 0.00 O ATOM 0 H TYR A 43 -1.115 1.737 -5.931 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.369 -0.141 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.984 -0.114 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.500 -0.920 -3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.263 -2.335 -5.929 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.678 -1.647 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.476 -4.337 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.469 -3.646 -5.648 1.00 0.00 H new ATOM 0 HH TYR A 43 0.946 -5.349 -6.958 1.00 0.00 H new ATOM 670 N GLN A 44 -4.529 1.462 -4.336 1.00 0.00 N ATOM 671 CA GLN A 44 -5.254 2.458 -3.556 1.00 0.00 C ATOM 672 C GLN A 44 -5.716 1.875 -2.224 1.00 0.00 C ATOM 673 O GLN A 44 -6.504 0.931 -2.188 1.00 0.00 O ATOM 674 CB GLN A 44 -6.458 2.977 -4.344 1.00 0.00 C ATOM 675 CG GLN A 44 -7.143 4.168 -3.694 1.00 0.00 C ATOM 676 CD GLN A 44 -8.337 4.660 -4.489 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.252 4.854 -5.702 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.458 4.864 -3.807 1.00 0.00 N ATOM 0 H GLN A 44 -5.123 0.768 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.577 3.288 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.132 3.258 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.182 2.170 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.468 3.892 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.425 4.980 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.483 4.690 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.295 5.195 -4.288 1.00 0.00 H new ATOM 687 N GLY A 45 -5.219 2.445 -1.130 1.00 0.00 N ATOM 688 CA GLY A 45 -5.592 1.968 0.189 1.00 0.00 C ATOM 689 C GLY A 45 -5.760 3.097 1.187 1.00 0.00 C ATOM 690 O GLY A 45 -5.924 4.254 0.803 1.00 0.00 O ATOM 0 H GLY A 45 -4.565 3.228 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.524 1.407 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.831 1.277 0.551 1.00 0.00 H new ATOM 694 N GLU A 46 -5.721 2.759 2.472 1.00 0.00 N ATOM 695 CA GLU A 46 -5.873 3.753 3.528 1.00 0.00 C ATOM 696 C GLU A 46 -5.082 3.353 4.770 1.00 0.00 C ATOM 697 O GLU A 46 -5.215 2.237 5.271 1.00 0.00 O ATOM 698 CB GLU A 46 -7.351 3.928 3.886 1.00 0.00 C ATOM 699 CG GLU A 46 -7.577 4.473 5.286 1.00 0.00 C ATOM 700 CD GLU A 46 -8.983 5.008 5.483 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.876 4.212 5.841 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.189 6.223 5.280 1.00 0.00 O ATOM 0 H GLU A 46 -5.586 1.805 2.807 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.481 4.701 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.814 4.601 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.855 2.966 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.387 3.684 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.858 5.269 5.483 1.00 0.00 H new ATOM 709 N ILE A 47 -4.257 4.273 5.260 1.00 0.00 N ATOM 710 CA ILE A 47 -3.445 4.017 6.443 1.00 0.00 C ATOM 711 C ILE A 47 -3.700 5.064 7.522 1.00 0.00 C ATOM 712 O ILE A 47 -3.638 6.265 7.263 1.00 0.00 O ATOM 713 CB ILE A 47 -1.943 4.003 6.102 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.135 3.457 7.281 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.471 5.402 5.732 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.257 3.003 6.901 1.00 0.00 C ATOM 0 H ILE A 47 -4.134 5.201 4.856 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.734 3.035 6.818 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.786 3.349 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.060 4.228 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.674 2.619 7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.408 5.376 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.029 5.757 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.638 6.076 6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.772 2.628 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.190 2.210 6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.813 3.844 6.486 1.00 0.00 H new ATOM 728 N ASN A 48 -3.986 4.599 8.734 1.00 0.00 N ATOM 729 CA ASN A 48 -4.250 5.495 9.854 1.00 0.00 C ATOM 730 C ASN A 48 -5.285 6.549 9.475 1.00 0.00 C ATOM 731 O ASN A 48 -5.163 7.716 9.845 1.00 0.00 O ATOM 732 CB ASN A 48 -2.956 6.174 10.306 1.00 0.00 C ATOM 733 CG ASN A 48 -1.861 5.176 10.630 1.00 0.00 C ATOM 734 OD1 ASN A 48 -0.696 5.384 10.292 1.00 0.00 O ATOM 735 ND2 ASN A 48 -2.233 4.083 11.287 1.00 0.00 N ATOM 0 H ASN A 48 -4.041 3.607 8.965 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.648 4.901 10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.609 6.847 9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.158 6.786 11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.541 3.375 11.531 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.211 3.952 11.547 1.00 0.00 H new ATOM 742 N GLY A 49 -6.306 6.129 8.734 1.00 0.00 N ATOM 743 CA GLY A 49 -7.348 7.049 8.317 1.00 0.00 C ATOM 744 C GLY A 49 -6.879 8.008 7.241 1.00 0.00 C ATOM 745 O GLY A 49 -7.402 9.116 7.115 1.00 0.00 O ATOM 0 H GLY A 49 -6.430 5.168 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.202 6.482 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.693 7.618 9.181 1.00 0.00 H new ATOM 749 N VAL A 50 -5.888 7.584 6.464 1.00 0.00 N ATOM 750 CA VAL A 50 -5.347 8.414 5.394 1.00 0.00 C ATOM 751 C VAL A 50 -5.488 7.726 4.041 1.00 0.00 C ATOM 752 O VAL A 50 -4.842 6.711 3.778 1.00 0.00 O ATOM 753 CB VAL A 50 -3.863 8.746 5.636 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.343 9.688 4.561 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.671 9.346 7.021 1.00 0.00 C ATOM 0 H VAL A 50 -5.443 6.671 6.555 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.922 9.340 5.390 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.289 7.821 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.293 9.911 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.444 9.216 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.919 10.613 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.617 9.575 7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.257 10.261 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.002 8.632 7.776 1.00 0.00 H new ATOM 765 N SER A 51 -6.337 8.285 3.184 1.00 0.00 N ATOM 766 CA SER A 51 -6.566 7.724 1.858 1.00 0.00 C ATOM 767 C SER A 51 -5.570 8.288 0.850 1.00 0.00 C ATOM 768 O SER A 51 -5.341 9.495 0.796 1.00 0.00 O ATOM 769 CB SER A 51 -7.995 8.015 1.397 1.00 0.00 C ATOM 770 OG SER A 51 -8.267 9.406 1.427 1.00 0.00 O ATOM 0 H SER A 51 -6.878 9.126 3.385 1.00 0.00 H new ATOM 0 HA SER A 51 -6.424 6.645 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.139 7.635 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.702 7.489 2.039 1.00 0.00 H new ATOM 0 HG SER A 51 -9.186 9.566 1.126 1.00 0.00 H new ATOM 776 N GLY A 52 -4.979 7.403 0.052 1.00 0.00 N ATOM 777 CA GLY A 52 -4.014 7.831 -0.944 1.00 0.00 C ATOM 778 C GLY A 52 -3.625 6.713 -1.892 1.00 0.00 C ATOM 779 O GLY A 52 -3.997 5.558 -1.685 1.00 0.00 O ATOM 0 H GLY A 52 -5.151 6.398 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.430 8.660 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.121 8.206 -0.443 1.00 0.00 H new ATOM 783 N ILE A 53 -2.877 7.058 -2.934 1.00 0.00 N ATOM 784 CA ILE A 53 -2.439 6.075 -3.917 1.00 0.00 C ATOM 785 C ILE A 53 -0.924 5.903 -3.886 1.00 0.00 C ATOM 786 O ILE A 53 -0.185 6.858 -3.642 1.00 0.00 O ATOM 787 CB ILE A 53 -2.870 6.472 -5.342 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.247 7.814 -5.731 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.387 6.539 -5.437 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.348 8.121 -7.209 1.00 0.00 C ATOM 0 H ILE A 53 -2.562 8.010 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.915 5.131 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.515 5.712 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.736 8.609 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.197 7.816 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.676 6.821 -6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.810 5.564 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.763 7.281 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.886 9.087 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.834 7.346 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.397 8.151 -7.503 1.00 0.00 H new ATOM 802 N PHE A 54 -0.467 4.681 -4.136 1.00 0.00 N ATOM 803 CA PHE A 54 0.961 4.384 -4.138 1.00 0.00 C ATOM 804 C PHE A 54 1.298 3.341 -5.199 1.00 0.00 C ATOM 805 O PHE A 54 0.458 2.538 -5.606 1.00 0.00 O ATOM 806 CB PHE A 54 1.401 3.886 -2.760 1.00 0.00 C ATOM 807 CG PHE A 54 0.419 2.947 -2.119 1.00 0.00 C ATOM 808 CD1 PHE A 54 0.478 1.585 -2.370 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.564 3.426 -1.268 1.00 0.00 C ATOM 810 CE1 PHE A 54 -0.424 0.718 -1.782 1.00 0.00 C ATOM 811 CE2 PHE A 54 -1.468 2.563 -0.677 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.398 1.208 -0.935 1.00 0.00 C ATOM 0 H PHE A 54 -1.065 3.880 -4.340 1.00 0.00 H new ATOM 0 HA PHE A 54 1.498 5.303 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.363 3.383 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.553 4.743 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.237 1.197 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.625 4.485 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.367 -0.341 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.229 2.948 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.104 0.533 -0.475 1.00 0.00 H new ATOM 822 N PRO A 55 2.558 3.352 -5.660 1.00 0.00 N ATOM 823 CA PRO A 55 3.036 2.414 -6.680 1.00 0.00 C ATOM 824 C PRO A 55 3.137 0.987 -6.153 1.00 0.00 C ATOM 825 O PRO A 55 3.223 0.765 -4.945 1.00 0.00 O ATOM 826 CB PRO A 55 4.424 2.953 -7.034 1.00 0.00 C ATOM 827 CG PRO A 55 4.862 3.699 -5.821 1.00 0.00 C ATOM 828 CD PRO A 55 3.612 4.281 -5.219 1.00 0.00 C ATOM 0 HA PRO A 55 2.357 2.355 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.114 2.143 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.385 3.605 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.363 3.037 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.572 4.484 -6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.675 4.331 -4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.429 5.295 -5.575 1.00 0.00 H new ATOM 836 N ALA A 56 3.127 0.022 -7.066 1.00 0.00 N ATOM 837 CA ALA A 56 3.221 -1.384 -6.693 1.00 0.00 C ATOM 838 C ALA A 56 4.671 -1.799 -6.472 1.00 0.00 C ATOM 839 O ALA A 56 4.996 -2.986 -6.479 1.00 0.00 O ATOM 840 CB ALA A 56 2.577 -2.257 -7.760 1.00 0.00 C ATOM 0 H ALA A 56 3.055 0.188 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 56 2.685 -1.521 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.654 -3.304 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.526 -1.987 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.088 -2.106 -8.711 1.00 0.00 H new ATOM 846 N SER A 57 5.541 -0.812 -6.278 1.00 0.00 N ATOM 847 CA SER A 57 6.958 -1.074 -6.060 1.00 0.00 C ATOM 848 C SER A 57 7.376 -0.665 -4.651 1.00 0.00 C ATOM 849 O SER A 57 8.177 -1.342 -4.007 1.00 0.00 O ATOM 850 CB SER A 57 7.802 -0.325 -7.093 1.00 0.00 C ATOM 851 OG SER A 57 7.731 -0.952 -8.361 1.00 0.00 O ATOM 0 H SER A 57 5.288 0.176 -6.268 1.00 0.00 H new ATOM 0 HA SER A 57 7.125 -2.145 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.454 0.705 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.839 -0.286 -6.761 1.00 0.00 H new ATOM 0 HG SER A 57 8.277 -0.453 -9.004 1.00 0.00 H new ATOM 857 N SER A 58 6.827 0.450 -4.178 1.00 0.00 N ATOM 858 CA SER A 58 7.144 0.953 -2.847 1.00 0.00 C ATOM 859 C SER A 58 6.780 -0.072 -1.777 1.00 0.00 C ATOM 860 O SER A 58 7.487 -0.224 -0.781 1.00 0.00 O ATOM 861 CB SER A 58 6.403 2.266 -2.585 1.00 0.00 C ATOM 862 OG SER A 58 4.999 2.072 -2.607 1.00 0.00 O ATOM 0 H SER A 58 6.161 1.022 -4.697 1.00 0.00 H new ATOM 0 HA SER A 58 8.218 1.134 -2.801 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.702 2.670 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.684 3.002 -3.338 1.00 0.00 H new ATOM 0 HG SER A 58 4.730 1.725 -3.483 1.00 0.00 H new ATOM 868 N VAL A 59 5.671 -0.773 -1.991 1.00 0.00 N ATOM 869 CA VAL A 59 5.213 -1.785 -1.047 1.00 0.00 C ATOM 870 C VAL A 59 5.233 -3.173 -1.677 1.00 0.00 C ATOM 871 O VAL A 59 5.424 -3.315 -2.884 1.00 0.00 O ATOM 872 CB VAL A 59 3.788 -1.481 -0.547 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.725 -0.094 0.075 1.00 0.00 C ATOM 874 CG2 VAL A 59 2.785 -1.611 -1.683 1.00 0.00 C ATOM 0 H VAL A 59 5.073 -0.659 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 59 5.900 -1.763 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 59 3.528 -2.210 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.711 0.103 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.414 -0.042 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.005 0.652 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.784 -1.393 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.039 -0.907 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.812 -2.627 -2.078 1.00 0.00 H new ATOM 884 N GLU A 60 5.033 -4.195 -0.850 1.00 0.00 N ATOM 885 CA GLU A 60 5.029 -5.573 -1.327 1.00 0.00 C ATOM 886 C GLU A 60 3.755 -6.294 -0.896 1.00 0.00 C ATOM 887 O GLU A 60 3.337 -6.205 0.258 1.00 0.00 O ATOM 888 CB GLU A 60 6.254 -6.322 -0.799 1.00 0.00 C ATOM 889 CG GLU A 60 6.480 -6.146 0.693 1.00 0.00 C ATOM 890 CD GLU A 60 7.791 -6.749 1.160 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.468 -7.404 0.340 1.00 0.00 O ATOM 892 OE2 GLU A 60 8.139 -6.567 2.345 1.00 0.00 O ATOM 0 H GLU A 60 4.872 -4.095 0.152 1.00 0.00 H new ATOM 0 HA GLU A 60 5.065 -5.554 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.142 -7.384 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.139 -5.978 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.466 -5.083 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.657 -6.608 1.238 1.00 0.00 H new ATOM 899 N VAL A 61 3.140 -7.007 -1.834 1.00 0.00 N ATOM 900 CA VAL A 61 1.914 -7.744 -1.554 1.00 0.00 C ATOM 901 C VAL A 61 2.219 -9.109 -0.947 1.00 0.00 C ATOM 902 O VAL A 61 1.345 -9.973 -0.866 1.00 0.00 O ATOM 903 CB VAL A 61 1.071 -7.938 -2.828 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.265 -8.584 -2.493 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.866 -6.608 -3.538 1.00 0.00 C ATOM 0 H VAL A 61 3.471 -7.090 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 61 1.345 -7.150 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 61 1.610 -8.605 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.846 -8.713 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.093 -9.557 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.814 -7.946 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.268 -6.763 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.349 -5.916 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.834 -6.190 -3.814 1.00 0.00 H new ATOM 915 N ILE A 62 3.464 -9.296 -0.523 1.00 0.00 N ATOM 916 CA ILE A 62 3.884 -10.556 0.078 1.00 0.00 C ATOM 917 C ILE A 62 3.328 -10.704 1.490 1.00 0.00 C ATOM 918 O ILE A 62 3.010 -11.809 1.931 1.00 0.00 O ATOM 919 CB ILE A 62 5.419 -10.672 0.128 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.013 -9.517 0.938 1.00 0.00 C ATOM 921 CG2 ILE A 62 5.995 -10.690 -1.280 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.124 -9.811 2.417 1.00 0.00 C ATOM 0 H ILE A 62 4.199 -8.592 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 62 3.488 -11.353 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 62 5.682 -11.609 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.003 -9.281 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.395 -8.630 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.081 -10.772 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.592 -11.542 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.725 -9.768 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.553 -8.949 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.133 -10.017 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.766 -10.679 2.568 1.00 0.00 H new ATOM 934 N SER A 63 3.212 -9.583 2.195 1.00 0.00 N ATOM 935 CA SER A 63 2.696 -9.588 3.559 1.00 0.00 C ATOM 936 C SER A 63 1.328 -10.260 3.620 1.00 0.00 C ATOM 937 O SER A 63 1.099 -11.155 4.432 1.00 0.00 O ATOM 938 CB SER A 63 2.599 -8.158 4.095 1.00 0.00 C ATOM 939 OG SER A 63 2.562 -8.146 5.512 1.00 0.00 O ATOM 0 H SER A 63 3.468 -8.660 1.844 1.00 0.00 H new ATOM 0 HA SER A 63 3.388 -10.156 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.452 -7.577 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.703 -7.678 3.701 1.00 0.00 H new ATOM 0 HG SER A 63 2.502 -7.221 5.830 1.00 0.00 H new ATOM 945 N GLY A 64 0.420 -9.820 2.753 1.00 0.00 N ATOM 946 CA GLY A 64 -0.914 -10.389 2.724 1.00 0.00 C ATOM 947 C GLY A 64 -0.898 -11.901 2.619 1.00 0.00 C ATOM 948 O GLY A 64 0.059 -12.501 2.128 1.00 0.00 O ATOM 0 H GLY A 64 0.585 -9.080 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.450 -10.096 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.464 -9.975 1.879 1.00 0.00 H new ATOM 952 N PRO A 65 -1.977 -12.543 3.092 1.00 0.00 N ATOM 953 CA PRO A 65 -2.107 -14.002 3.061 1.00 0.00 C ATOM 954 C PRO A 65 -2.286 -14.539 1.645 1.00 0.00 C ATOM 955 O PRO A 65 -2.090 -15.728 1.393 1.00 0.00 O ATOM 956 CB PRO A 65 -3.363 -14.265 3.896 1.00 0.00 C ATOM 957 CG PRO A 65 -4.157 -13.008 3.790 1.00 0.00 C ATOM 958 CD PRO A 65 -3.154 -11.892 3.691 1.00 0.00 C ATOM 0 HA PRO A 65 -1.214 -14.498 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.921 -15.120 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.110 -14.488 4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.806 -13.029 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.801 -12.878 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.521 -11.076 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.925 -11.470 4.669 1.00 0.00 H new ATOM 966 N SER A 66 -2.659 -13.656 0.725 1.00 0.00 N ATOM 967 CA SER A 66 -2.868 -14.042 -0.665 1.00 0.00 C ATOM 968 C SER A 66 -1.766 -14.985 -1.139 1.00 0.00 C ATOM 969 O SER A 66 -2.039 -16.037 -1.716 1.00 0.00 O ATOM 970 CB SER A 66 -2.913 -12.802 -1.560 1.00 0.00 C ATOM 971 OG SER A 66 -3.497 -13.100 -2.816 1.00 0.00 O ATOM 0 H SER A 66 -2.823 -12.668 0.917 1.00 0.00 H new ATOM 0 HA SER A 66 -3.823 -14.564 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.484 -12.015 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.903 -12.419 -1.707 1.00 0.00 H new ATOM 0 HG SER A 66 -3.515 -12.291 -3.368 1.00 0.00 H new ATOM 977 N SER A 67 -0.518 -14.599 -0.890 1.00 0.00 N ATOM 978 CA SER A 67 0.627 -15.407 -1.293 1.00 0.00 C ATOM 979 C SER A 67 1.447 -15.831 -0.079 1.00 0.00 C ATOM 980 O SER A 67 1.462 -15.147 0.944 1.00 0.00 O ATOM 981 CB SER A 67 1.508 -14.628 -2.271 1.00 0.00 C ATOM 982 OG SER A 67 2.347 -13.715 -1.586 1.00 0.00 O ATOM 0 H SER A 67 -0.275 -13.732 -0.411 1.00 0.00 H new ATOM 0 HA SER A 67 0.252 -16.303 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.117 -15.323 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.880 -14.088 -2.980 1.00 0.00 H new ATOM 0 HG SER A 67 2.901 -13.231 -2.233 1.00 0.00 H new ATOM 988 N GLY A 68 2.129 -16.966 -0.200 1.00 0.00 N ATOM 989 CA GLY A 68 2.943 -17.463 0.894 1.00 0.00 C ATOM 990 C GLY A 68 2.140 -17.678 2.162 1.00 0.00 C ATOM 991 O GLY A 68 1.659 -16.722 2.769 1.00 0.00 O ATOM 0 H GLY A 68 2.132 -17.550 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.409 -18.403 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.749 -16.757 1.093 1.00 0.00 H new TER 995 GLY A 68