USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 ALA N :NH3+ -150:sc= -0.874 (180deg=-2.37!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 163:sc= 0 (180deg=-0.0547) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.583 K(o=-0.58,f=-3.3!) USER MOD Single : A 7 GLN : amide:sc= -0.722 K(o=-0.72,f=-3.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.464 USER MOD Single : A 39 THR OG1 : rot 156:sc= -0.341 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -125:sc= -0.0988 (180deg=-3.12!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 52 ASN : amide:sc= -0.0716 K(o=-0.072,f=-2.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 81 MET CE :methyl -98:sc= -3.83! (180deg=-5.04!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 179:sc= 0 (180deg=-0.00236) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.095 -9.870 -9.314 1.00 0.00 N ATOM 2 CA ALA A 1 -11.577 -9.729 -9.411 1.00 0.00 C ATOM 3 C ALA A 1 -11.970 -8.276 -9.142 1.00 0.00 C ATOM 4 O ALA A 1 -12.240 -7.894 -8.021 1.00 0.00 O ATOM 5 CB ALA A 1 -12.241 -10.633 -8.374 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.776 -10.631 -9.948 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.642 -8.976 -9.592 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.832 -10.102 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.905 -10.016 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.324 -10.532 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.961 -11.669 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.912 -10.344 -7.376 1.00 0.00 H new ATOM 13 N SER A 2 -12.008 -7.464 -10.162 1.00 0.00 N ATOM 14 CA SER A 2 -12.386 -6.037 -9.966 1.00 0.00 C ATOM 15 C SER A 2 -11.665 -5.482 -8.733 1.00 0.00 C ATOM 16 O SER A 2 -10.539 -5.035 -8.811 1.00 0.00 O ATOM 17 CB SER A 2 -13.899 -5.933 -9.767 1.00 0.00 C ATOM 18 OG SER A 2 -14.549 -6.098 -11.021 1.00 0.00 O ATOM 0 H SER A 2 -11.793 -7.728 -11.124 1.00 0.00 H new ATOM 0 HA SER A 2 -12.096 -5.460 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.239 -6.695 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.155 -4.965 -9.336 1.00 0.00 H new ATOM 0 HG SER A 2 -15.519 -6.034 -10.898 1.00 0.00 H new ATOM 24 N MET A 3 -12.306 -5.508 -7.594 1.00 0.00 N ATOM 25 CA MET A 3 -11.657 -4.982 -6.360 1.00 0.00 C ATOM 26 C MET A 3 -12.145 -5.785 -5.154 1.00 0.00 C ATOM 27 O MET A 3 -11.373 -6.184 -4.305 1.00 0.00 O ATOM 28 CB MET A 3 -12.027 -3.509 -6.176 1.00 0.00 C ATOM 29 CG MET A 3 -10.836 -2.751 -5.586 1.00 0.00 C ATOM 30 SD MET A 3 -10.342 -1.429 -6.720 1.00 0.00 S ATOM 31 CE MET A 3 -8.874 -2.244 -7.393 1.00 0.00 C ATOM 0 H MET A 3 -13.251 -5.871 -7.466 1.00 0.00 H new ATOM 0 HA MET A 3 -10.574 -5.074 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.311 -3.072 -7.134 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.890 -3.420 -5.517 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.102 -2.332 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.002 -3.434 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.577 -1.752 -8.319 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.060 -2.181 -6.671 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.100 -3.291 -7.595 1.00 0.00 H new ATOM 41 N THR A 4 -13.425 -6.027 -5.072 1.00 0.00 N ATOM 42 CA THR A 4 -13.966 -6.805 -3.923 1.00 0.00 C ATOM 43 C THR A 4 -13.286 -8.176 -3.870 1.00 0.00 C ATOM 44 O THR A 4 -12.284 -8.355 -3.205 1.00 0.00 O ATOM 45 CB THR A 4 -15.478 -6.985 -4.100 1.00 0.00 C ATOM 46 OG1 THR A 4 -16.137 -5.768 -3.776 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.980 -8.097 -3.178 1.00 0.00 C ATOM 0 H THR A 4 -14.120 -5.719 -5.752 1.00 0.00 H new ATOM 0 HA THR A 4 -13.771 -6.270 -2.993 1.00 0.00 H new ATOM 0 HB THR A 4 -15.691 -7.254 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.104 -5.879 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.055 -8.220 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.475 -9.031 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.768 -7.834 -2.142 1.00 0.00 H new ATOM 55 N ASP A 5 -13.825 -9.144 -4.562 1.00 0.00 N ATOM 56 CA ASP A 5 -13.211 -10.503 -4.551 1.00 0.00 C ATOM 57 C ASP A 5 -11.691 -10.379 -4.664 1.00 0.00 C ATOM 58 O ASP A 5 -10.950 -11.203 -4.165 1.00 0.00 O ATOM 59 CB ASP A 5 -13.746 -11.313 -5.734 1.00 0.00 C ATOM 60 CG ASP A 5 -14.677 -12.414 -5.222 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.263 -12.223 -4.169 1.00 0.00 O ATOM 62 OD2 ASP A 5 -14.789 -13.427 -5.892 1.00 0.00 O ATOM 0 H ASP A 5 -14.664 -9.052 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.465 -11.008 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.283 -10.660 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.918 -11.752 -6.291 1.00 0.00 H new ATOM 67 N GLN A 6 -11.221 -9.354 -5.316 1.00 0.00 N ATOM 68 CA GLN A 6 -9.751 -9.169 -5.464 1.00 0.00 C ATOM 69 C GLN A 6 -9.067 -9.402 -4.115 1.00 0.00 C ATOM 70 O GLN A 6 -8.170 -10.213 -3.992 1.00 0.00 O ATOM 71 CB GLN A 6 -9.469 -7.741 -5.936 1.00 0.00 C ATOM 72 CG GLN A 6 -8.436 -7.770 -7.065 1.00 0.00 C ATOM 73 CD GLN A 6 -7.093 -8.255 -6.516 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.815 -8.111 -5.342 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.241 -8.828 -7.322 1.00 0.00 N ATOM 0 H GLN A 6 -11.794 -8.633 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.365 -9.881 -6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.390 -7.273 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.099 -7.139 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.774 -8.430 -7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.326 -6.775 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.474 -8.949 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.343 -9.155 -6.966 1.00 0.00 H new ATOM 84 N GLN A 7 -9.483 -8.694 -3.101 1.00 0.00 N ATOM 85 CA GLN A 7 -8.860 -8.863 -1.758 1.00 0.00 C ATOM 86 C GLN A 7 -8.912 -10.337 -1.341 1.00 0.00 C ATOM 87 O GLN A 7 -8.001 -10.846 -0.719 1.00 0.00 O ATOM 88 CB GLN A 7 -9.627 -8.015 -0.741 1.00 0.00 C ATOM 89 CG GLN A 7 -9.210 -8.400 0.680 1.00 0.00 C ATOM 90 CD GLN A 7 -10.442 -8.859 1.463 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.361 -9.765 2.268 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.587 -8.267 1.258 1.00 0.00 N ATOM 0 H GLN A 7 -10.231 -8.002 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.819 -8.542 -1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.428 -6.957 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.700 -8.163 -0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.467 -9.197 0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.745 -7.549 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.654 -7.506 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.415 -8.565 1.774 1.00 0.00 H new ATOM 101 N ALA A 8 -9.971 -11.023 -1.671 1.00 0.00 N ATOM 102 CA ALA A 8 -10.081 -12.459 -1.282 1.00 0.00 C ATOM 103 C ALA A 8 -8.828 -13.219 -1.725 1.00 0.00 C ATOM 104 O ALA A 8 -8.159 -13.847 -0.928 1.00 0.00 O ATOM 105 CB ALA A 8 -11.310 -13.074 -1.954 1.00 0.00 C ATOM 0 H ALA A 8 -10.765 -10.653 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.178 -12.529 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.392 -14.123 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.205 -12.541 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.210 -12.997 -3.037 1.00 0.00 H new ATOM 111 N GLU A 9 -8.509 -13.176 -2.988 1.00 0.00 N ATOM 112 CA GLU A 9 -7.306 -13.907 -3.480 1.00 0.00 C ATOM 113 C GLU A 9 -6.035 -13.262 -2.919 1.00 0.00 C ATOM 114 O GLU A 9 -5.030 -13.919 -2.730 1.00 0.00 O ATOM 115 CB GLU A 9 -7.272 -13.858 -5.009 1.00 0.00 C ATOM 116 CG GLU A 9 -8.496 -14.587 -5.567 1.00 0.00 C ATOM 117 CD GLU A 9 -8.291 -14.861 -7.059 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.746 -13.999 -7.729 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.683 -15.927 -7.504 1.00 0.00 O ATOM 0 H GLU A 9 -9.029 -12.666 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.356 -14.944 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.264 -12.823 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.358 -14.323 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.649 -15.524 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.391 -13.984 -5.417 1.00 0.00 H new ATOM 126 N ALA A 10 -6.066 -11.985 -2.652 1.00 0.00 N ATOM 127 CA ALA A 10 -4.853 -11.311 -2.107 1.00 0.00 C ATOM 128 C ALA A 10 -4.429 -11.992 -0.803 1.00 0.00 C ATOM 129 O ALA A 10 -3.279 -12.338 -0.617 1.00 0.00 O ATOM 130 CB ALA A 10 -5.163 -9.838 -1.836 1.00 0.00 C ATOM 0 H ALA A 10 -6.876 -11.380 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.043 -11.383 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.275 -9.347 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.461 -9.352 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.974 -9.764 -1.112 1.00 0.00 H new ATOM 136 N ARG A 11 -5.347 -12.188 0.104 1.00 0.00 N ATOM 137 CA ARG A 11 -4.992 -12.846 1.393 1.00 0.00 C ATOM 138 C ARG A 11 -4.732 -14.335 1.153 1.00 0.00 C ATOM 139 O ARG A 11 -3.977 -14.967 1.864 1.00 0.00 O ATOM 140 CB ARG A 11 -6.146 -12.684 2.384 1.00 0.00 C ATOM 141 CG ARG A 11 -6.186 -11.241 2.890 1.00 0.00 C ATOM 142 CD ARG A 11 -7.616 -10.883 3.305 1.00 0.00 C ATOM 143 NE ARG A 11 -7.766 -11.069 4.776 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.948 -10.998 5.325 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.522 -9.837 5.491 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.556 -12.086 5.709 1.00 0.00 N ATOM 0 H ARG A 11 -6.327 -11.921 0.008 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.094 -12.382 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.091 -12.938 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.020 -13.371 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.510 -11.123 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.842 -10.562 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.838 -9.851 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.329 -11.513 2.773 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.945 -11.252 5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.047 -8.986 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.446 -9.781 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.108 -12.993 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.480 -12.030 6.138 1.00 0.00 H new ATOM 160 N ALA A 12 -5.356 -14.901 0.156 1.00 0.00 N ATOM 161 CA ALA A 12 -5.148 -16.349 -0.131 1.00 0.00 C ATOM 162 C ALA A 12 -3.651 -16.661 -0.146 1.00 0.00 C ATOM 163 O ALA A 12 -3.188 -17.555 0.534 1.00 0.00 O ATOM 164 CB ALA A 12 -5.754 -16.688 -1.494 1.00 0.00 C ATOM 0 H ALA A 12 -6.001 -14.423 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.632 -16.945 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.603 -17.746 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.822 -16.469 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.270 -16.091 -2.266 1.00 0.00 H new ATOM 170 N PHE A 13 -2.889 -15.933 -0.915 1.00 0.00 N ATOM 171 CA PHE A 13 -1.422 -16.191 -0.970 1.00 0.00 C ATOM 172 C PHE A 13 -0.729 -15.434 0.163 1.00 0.00 C ATOM 173 O PHE A 13 0.214 -15.915 0.759 1.00 0.00 O ATOM 174 CB PHE A 13 -0.870 -15.715 -2.316 1.00 0.00 C ATOM 175 CG PHE A 13 0.635 -15.839 -2.315 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.232 -17.105 -2.355 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.432 -14.690 -2.273 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.628 -17.221 -2.354 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.828 -14.806 -2.273 1.00 0.00 C ATOM 180 CZ PHE A 13 3.425 -16.071 -2.314 1.00 0.00 C ATOM 0 H PHE A 13 -3.218 -15.171 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.236 -17.259 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.294 -16.309 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.160 -14.680 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.616 -17.992 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.971 -13.714 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.089 -18.197 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.444 -13.919 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.501 -16.160 -2.315 1.00 0.00 H new ATOM 190 N LEU A 14 -1.190 -14.252 0.464 1.00 0.00 N ATOM 191 CA LEU A 14 -0.559 -13.462 1.559 1.00 0.00 C ATOM 192 C LEU A 14 -0.997 -14.025 2.913 1.00 0.00 C ATOM 193 O LEU A 14 -1.890 -13.504 3.550 1.00 0.00 O ATOM 194 CB LEU A 14 -0.994 -11.999 1.450 1.00 0.00 C ATOM 195 CG LEU A 14 0.002 -11.235 0.576 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.340 -11.123 1.306 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.203 -11.987 -0.742 1.00 0.00 C ATOM 0 H LEU A 14 -1.977 -13.798 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 14 0.526 -13.525 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.994 -11.937 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.045 -11.549 2.441 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.385 -10.237 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.050 -10.579 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.198 -10.589 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.728 -12.121 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.913 -11.444 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.590 -12.985 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.751 -12.069 -1.263 1.00 0.00 H new ATOM 209 N SER A 15 -0.376 -15.088 3.352 1.00 0.00 N ATOM 210 CA SER A 15 -0.753 -15.692 4.664 1.00 0.00 C ATOM 211 C SER A 15 -1.007 -14.583 5.688 1.00 0.00 C ATOM 212 O SER A 15 -0.601 -13.452 5.506 1.00 0.00 O ATOM 213 CB SER A 15 0.383 -16.587 5.156 1.00 0.00 C ATOM 214 OG SER A 15 -0.070 -17.933 5.216 1.00 0.00 O ATOM 0 H SER A 15 0.378 -15.565 2.857 1.00 0.00 H new ATOM 0 HA SER A 15 -1.659 -16.285 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.239 -16.509 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.718 -16.260 6.140 1.00 0.00 H new ATOM 0 HG SER A 15 0.658 -18.509 5.530 1.00 0.00 H new ATOM 220 N GLU A 16 -1.676 -14.898 6.764 1.00 0.00 N ATOM 221 CA GLU A 16 -1.954 -13.861 7.798 1.00 0.00 C ATOM 222 C GLU A 16 -0.641 -13.431 8.454 1.00 0.00 C ATOM 223 O GLU A 16 -0.569 -12.412 9.112 1.00 0.00 O ATOM 224 CB GLU A 16 -2.889 -14.441 8.863 1.00 0.00 C ATOM 225 CG GLU A 16 -4.324 -13.986 8.585 1.00 0.00 C ATOM 226 CD GLU A 16 -5.285 -14.724 9.520 1.00 0.00 C ATOM 227 OE1 GLU A 16 -5.045 -15.891 9.785 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.243 -14.108 9.958 1.00 0.00 O ATOM 0 H GLU A 16 -2.042 -15.827 6.971 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.427 -12.998 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.834 -15.530 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.577 -14.112 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.410 -12.910 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.585 -14.186 7.546 1.00 0.00 H new ATOM 235 N GLU A 17 0.400 -14.199 8.283 1.00 0.00 N ATOM 236 CA GLU A 17 1.706 -13.834 8.898 1.00 0.00 C ATOM 237 C GLU A 17 2.333 -12.674 8.121 1.00 0.00 C ATOM 238 O GLU A 17 2.966 -11.806 8.688 1.00 0.00 O ATOM 239 CB GLU A 17 2.644 -15.042 8.856 1.00 0.00 C ATOM 240 CG GLU A 17 2.005 -16.210 9.611 1.00 0.00 C ATOM 241 CD GLU A 17 3.072 -17.262 9.920 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.108 -17.235 9.275 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.835 -18.079 10.796 1.00 0.00 O ATOM 0 H GLU A 17 0.402 -15.064 7.743 1.00 0.00 H new ATOM 0 HA GLU A 17 1.547 -13.532 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.841 -15.327 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.604 -14.786 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.551 -15.854 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.207 -16.650 9.013 1.00 0.00 H new ATOM 250 N MET A 18 2.164 -12.653 6.827 1.00 0.00 N ATOM 251 CA MET A 18 2.753 -11.549 6.016 1.00 0.00 C ATOM 252 C MET A 18 2.060 -10.230 6.365 1.00 0.00 C ATOM 253 O MET A 18 2.683 -9.293 6.826 1.00 0.00 O ATOM 254 CB MET A 18 2.562 -11.848 4.528 1.00 0.00 C ATOM 255 CG MET A 18 3.629 -12.840 4.065 1.00 0.00 C ATOM 256 SD MET A 18 3.099 -13.622 2.521 1.00 0.00 S ATOM 257 CE MET A 18 4.750 -13.994 1.879 1.00 0.00 C ATOM 0 H MET A 18 1.644 -13.352 6.296 1.00 0.00 H new ATOM 0 HA MET A 18 3.818 -11.468 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.568 -12.260 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.631 -10.927 3.949 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.579 -12.326 3.917 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.793 -13.598 4.831 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.661 -14.490 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.312 -13.067 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.272 -14.649 2.576 1.00 0.00 H new ATOM 267 N ILE A 19 0.775 -10.145 6.148 1.00 0.00 N ATOM 268 CA ILE A 19 0.046 -8.884 6.466 1.00 0.00 C ATOM 269 C ILE A 19 0.237 -8.541 7.944 1.00 0.00 C ATOM 270 O ILE A 19 0.494 -7.408 8.300 1.00 0.00 O ATOM 271 CB ILE A 19 -1.444 -9.069 6.176 1.00 0.00 C ATOM 272 CG1 ILE A 19 -1.621 -9.702 4.794 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.143 -7.708 6.206 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.567 -10.899 4.900 1.00 0.00 C ATOM 0 H ILE A 19 0.199 -10.894 5.764 1.00 0.00 H new ATOM 0 HA ILE A 19 0.439 -8.074 5.851 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.882 -9.720 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.022 -8.968 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.655 -10.021 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.205 -7.840 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.018 -7.256 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.704 -7.057 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.694 -11.351 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.147 -11.635 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.535 -10.566 5.274 1.00 0.00 H new ATOM 286 N ALA A 20 0.114 -9.511 8.805 1.00 0.00 N ATOM 287 CA ALA A 20 0.287 -9.243 10.260 1.00 0.00 C ATOM 288 C ALA A 20 1.592 -8.479 10.490 1.00 0.00 C ATOM 289 O ALA A 20 1.631 -7.497 11.205 1.00 0.00 O ATOM 290 CB ALA A 20 0.335 -10.572 11.012 1.00 0.00 C ATOM 0 H ALA A 20 -0.099 -10.479 8.564 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.548 -8.645 10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.462 -10.383 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.595 -11.117 10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.173 -11.166 10.647 1.00 0.00 H new ATOM 296 N GLU A 21 2.664 -8.925 9.895 1.00 0.00 N ATOM 297 CA GLU A 21 3.968 -8.228 10.085 1.00 0.00 C ATOM 298 C GLU A 21 3.898 -6.821 9.489 1.00 0.00 C ATOM 299 O GLU A 21 4.539 -5.905 9.964 1.00 0.00 O ATOM 300 CB GLU A 21 5.074 -9.021 9.385 1.00 0.00 C ATOM 301 CG GLU A 21 6.339 -9.001 10.245 1.00 0.00 C ATOM 302 CD GLU A 21 7.280 -10.119 9.793 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.837 -11.255 9.740 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.428 -9.821 9.507 1.00 0.00 O ATOM 0 H GLU A 21 2.694 -9.742 9.285 1.00 0.00 H new ATOM 0 HA GLU A 21 4.184 -8.156 11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.750 -10.049 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.281 -8.590 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.836 -8.035 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.080 -9.132 11.296 1.00 0.00 H new ATOM 311 N PHE A 22 3.128 -6.640 8.450 1.00 0.00 N ATOM 312 CA PHE A 22 3.029 -5.288 7.830 1.00 0.00 C ATOM 313 C PHE A 22 2.143 -4.392 8.697 1.00 0.00 C ATOM 314 O PHE A 22 2.198 -3.182 8.612 1.00 0.00 O ATOM 315 CB PHE A 22 2.422 -5.406 6.431 1.00 0.00 C ATOM 316 CG PHE A 22 2.435 -4.052 5.758 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.526 -3.190 5.935 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.356 -3.659 4.958 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.537 -1.937 5.311 1.00 0.00 C ATOM 320 CE2 PHE A 22 1.368 -2.405 4.334 1.00 0.00 C ATOM 321 CZ PHE A 22 2.458 -1.544 4.511 1.00 0.00 C ATOM 0 H PHE A 22 2.566 -7.366 8.006 1.00 0.00 H new ATOM 0 HA PHE A 22 4.025 -4.852 7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.988 -6.124 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.401 -5.781 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.358 -3.493 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.515 -4.322 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.378 -1.273 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.536 -2.102 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.466 -0.577 4.030 1.00 0.00 H new ATOM 331 N LYS A 23 1.329 -4.975 9.535 1.00 0.00 N ATOM 332 CA LYS A 23 0.447 -4.147 10.405 1.00 0.00 C ATOM 333 C LYS A 23 1.312 -3.334 11.370 1.00 0.00 C ATOM 334 O LYS A 23 0.872 -2.357 11.941 1.00 0.00 O ATOM 335 CB LYS A 23 -0.492 -5.058 11.200 1.00 0.00 C ATOM 336 CG LYS A 23 -1.883 -5.036 10.562 1.00 0.00 C ATOM 337 CD LYS A 23 -2.936 -5.386 11.617 1.00 0.00 C ATOM 338 CE LYS A 23 -3.603 -6.713 11.251 1.00 0.00 C ATOM 339 NZ LYS A 23 -4.882 -6.445 10.534 1.00 0.00 N ATOM 0 H LYS A 23 1.237 -5.984 9.654 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.146 -3.472 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.103 -6.076 11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.550 -4.724 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.087 -4.051 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.928 -5.748 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.471 -5.459 12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.684 -4.595 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.938 -7.305 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.794 -7.297 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.336 -7.347 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.516 -5.896 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.687 -5.904 9.667 1.00 0.00 H new ATOM 353 N ALA A 24 2.542 -3.729 11.553 1.00 0.00 N ATOM 354 CA ALA A 24 3.438 -2.979 12.478 1.00 0.00 C ATOM 355 C ALA A 24 4.167 -1.883 11.697 1.00 0.00 C ATOM 356 O ALA A 24 4.504 -0.846 12.233 1.00 0.00 O ATOM 357 CB ALA A 24 4.460 -3.939 13.089 1.00 0.00 C ATOM 0 H ALA A 24 2.966 -4.540 11.101 1.00 0.00 H new ATOM 0 HA ALA A 24 2.847 -2.527 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.115 -3.390 13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.939 -4.721 13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.055 -4.391 12.295 1.00 0.00 H new ATOM 363 N ALA A 25 4.407 -2.103 10.434 1.00 0.00 N ATOM 364 CA ALA A 25 5.112 -1.074 9.619 1.00 0.00 C ATOM 365 C ALA A 25 4.091 -0.075 9.071 1.00 0.00 C ATOM 366 O ALA A 25 4.443 0.969 8.558 1.00 0.00 O ATOM 367 CB ALA A 25 5.835 -1.753 8.454 1.00 0.00 C ATOM 0 H ALA A 25 4.145 -2.951 9.931 1.00 0.00 H new ATOM 0 HA ALA A 25 5.838 -0.551 10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.351 -1.000 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.560 -2.468 8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.110 -2.275 7.830 1.00 0.00 H new ATOM 373 N PHE A 26 2.828 -0.387 9.175 1.00 0.00 N ATOM 374 CA PHE A 26 1.785 0.544 8.660 1.00 0.00 C ATOM 375 C PHE A 26 1.370 1.513 9.770 1.00 0.00 C ATOM 376 O PHE A 26 1.206 2.696 9.544 1.00 0.00 O ATOM 377 CB PHE A 26 0.565 -0.262 8.208 1.00 0.00 C ATOM 378 CG PHE A 26 -0.117 0.456 7.070 1.00 0.00 C ATOM 379 CD1 PHE A 26 0.616 0.825 5.936 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.483 0.753 7.148 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.017 1.491 4.879 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.115 1.420 6.091 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.382 1.788 4.957 1.00 0.00 C ATOM 0 H PHE A 26 2.474 -1.247 9.594 1.00 0.00 H new ATOM 0 HA PHE A 26 2.185 1.108 7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.871 -1.259 7.892 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.128 -0.390 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.670 0.596 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.049 0.468 8.023 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.548 1.775 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.168 1.650 6.151 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.870 2.301 4.142 1.00 0.00 H new ATOM 393 N ASP A 27 1.194 1.021 10.967 1.00 0.00 N ATOM 394 CA ASP A 27 0.786 1.914 12.089 1.00 0.00 C ATOM 395 C ASP A 27 1.952 2.826 12.473 1.00 0.00 C ATOM 396 O ASP A 27 1.808 3.729 13.272 1.00 0.00 O ATOM 397 CB ASP A 27 0.386 1.064 13.297 1.00 0.00 C ATOM 398 CG ASP A 27 -1.101 1.263 13.591 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.830 1.584 12.667 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.487 1.091 14.736 1.00 0.00 O ATOM 0 H ASP A 27 1.315 0.039 11.216 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.061 2.524 11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.591 0.012 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.980 1.346 14.166 1.00 0.00 H new ATOM 405 N MET A 28 3.108 2.598 11.912 1.00 0.00 N ATOM 406 CA MET A 28 4.280 3.453 12.249 1.00 0.00 C ATOM 407 C MET A 28 3.988 4.901 11.855 1.00 0.00 C ATOM 408 O MET A 28 4.479 5.831 12.465 1.00 0.00 O ATOM 409 CB MET A 28 5.510 2.959 11.484 1.00 0.00 C ATOM 410 CG MET A 28 6.559 2.453 12.476 1.00 0.00 C ATOM 411 SD MET A 28 7.632 1.248 11.657 1.00 0.00 S ATOM 412 CE MET A 28 8.351 0.529 13.154 1.00 0.00 C ATOM 0 H MET A 28 3.291 1.857 11.235 1.00 0.00 H new ATOM 0 HA MET A 28 4.470 3.398 13.321 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.228 2.160 10.798 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.925 3.766 10.880 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.152 3.287 12.852 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.071 1.995 13.336 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.058 -0.254 12.878 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.870 1.305 13.717 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.559 0.102 13.769 1.00 0.00 H new ATOM 422 N PHE A 29 3.194 5.102 10.840 1.00 0.00 N ATOM 423 CA PHE A 29 2.876 6.492 10.408 1.00 0.00 C ATOM 424 C PHE A 29 1.733 7.048 11.261 1.00 0.00 C ATOM 425 O PHE A 29 1.738 8.200 11.646 1.00 0.00 O ATOM 426 CB PHE A 29 2.457 6.483 8.936 1.00 0.00 C ATOM 427 CG PHE A 29 3.324 5.511 8.172 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.697 5.752 8.036 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.755 4.366 7.600 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.499 4.851 7.329 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.559 3.464 6.892 1.00 0.00 C ATOM 432 CZ PHE A 29 4.932 3.707 6.756 1.00 0.00 C ATOM 0 H PHE A 29 2.752 4.365 10.291 1.00 0.00 H new ATOM 0 HA PHE A 29 3.758 7.121 10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.408 6.199 8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.554 7.483 8.513 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.136 6.634 8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.697 4.179 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.558 5.038 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.121 2.581 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.552 3.012 6.209 1.00 0.00 H new ATOM 442 N ASP A 30 0.751 6.240 11.558 1.00 0.00 N ATOM 443 CA ASP A 30 -0.389 6.727 12.384 1.00 0.00 C ATOM 444 C ASP A 30 -0.437 5.946 13.700 1.00 0.00 C ATOM 445 O ASP A 30 -0.912 4.829 13.753 1.00 0.00 O ATOM 446 CB ASP A 30 -1.697 6.517 11.619 1.00 0.00 C ATOM 447 CG ASP A 30 -1.660 5.165 10.904 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.550 4.159 11.586 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.740 5.159 9.688 1.00 0.00 O ATOM 0 H ASP A 30 0.690 5.265 11.264 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.257 7.788 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.542 6.554 12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.840 7.319 10.895 1.00 0.00 H new ATOM 454 N ALA A 31 0.050 6.525 14.763 1.00 0.00 N ATOM 455 CA ALA A 31 0.032 5.812 16.072 1.00 0.00 C ATOM 456 C ALA A 31 -1.293 6.086 16.790 1.00 0.00 C ATOM 457 O ALA A 31 -1.521 5.620 17.888 1.00 0.00 O ATOM 458 CB ALA A 31 1.192 6.308 16.939 1.00 0.00 C ATOM 0 H ALA A 31 0.459 7.459 14.782 1.00 0.00 H new ATOM 0 HA ALA A 31 0.136 4.741 15.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.179 5.787 17.896 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.136 6.111 16.431 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.088 7.380 17.108 1.00 0.00 H new ATOM 464 N ASP A 32 -2.169 6.839 16.180 1.00 0.00 N ATOM 465 CA ASP A 32 -3.475 7.137 16.833 1.00 0.00 C ATOM 466 C ASP A 32 -4.525 6.127 16.361 1.00 0.00 C ATOM 467 O ASP A 32 -5.392 5.723 17.109 1.00 0.00 O ATOM 468 CB ASP A 32 -3.923 8.554 16.462 1.00 0.00 C ATOM 469 CG ASP A 32 -4.426 8.576 15.017 1.00 0.00 C ATOM 470 OD1 ASP A 32 -5.582 8.246 14.808 1.00 0.00 O ATOM 471 OD2 ASP A 32 -3.647 8.921 14.144 1.00 0.00 O ATOM 0 H ASP A 32 -2.037 7.259 15.260 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.364 7.065 17.915 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.713 8.884 17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.092 9.250 16.578 1.00 0.00 H new ATOM 476 N GLY A 33 -4.452 5.717 15.125 1.00 0.00 N ATOM 477 CA GLY A 33 -5.445 4.735 14.605 1.00 0.00 C ATOM 478 C GLY A 33 -5.999 5.228 13.268 1.00 0.00 C ATOM 479 O GLY A 33 -7.157 5.579 13.158 1.00 0.00 O ATOM 0 H GLY A 33 -3.748 6.019 14.452 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.975 3.759 14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.256 4.608 15.322 1.00 0.00 H new ATOM 483 N GLY A 34 -5.182 5.259 12.253 1.00 0.00 N ATOM 484 CA GLY A 34 -5.664 5.732 10.924 1.00 0.00 C ATOM 485 C GLY A 34 -5.484 4.620 9.890 1.00 0.00 C ATOM 486 O GLY A 34 -6.283 4.464 8.986 1.00 0.00 O ATOM 0 H GLY A 34 -4.202 4.978 12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.714 6.018 10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.110 6.620 10.619 1.00 0.00 H new ATOM 490 N GLY A 35 -4.442 3.845 10.013 1.00 0.00 N ATOM 491 CA GLY A 35 -4.213 2.744 9.036 1.00 0.00 C ATOM 492 C GLY A 35 -4.274 3.302 7.613 1.00 0.00 C ATOM 493 O GLY A 35 -4.982 2.794 6.766 1.00 0.00 O ATOM 0 H GLY A 35 -3.739 3.927 10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.243 2.281 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.966 1.966 9.165 1.00 0.00 H new ATOM 497 N ASP A 36 -3.536 4.344 7.344 1.00 0.00 N ATOM 498 CA ASP A 36 -3.552 4.932 5.974 1.00 0.00 C ATOM 499 C ASP A 36 -2.399 5.926 5.833 1.00 0.00 C ATOM 500 O ASP A 36 -1.741 6.270 6.796 1.00 0.00 O ATOM 501 CB ASP A 36 -4.882 5.654 5.743 1.00 0.00 C ATOM 502 CG ASP A 36 -4.923 6.936 6.577 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.947 6.828 7.792 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.932 8.003 5.987 1.00 0.00 O ATOM 0 H ASP A 36 -2.924 4.813 8.012 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.439 4.138 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.999 5.892 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.713 5.004 6.017 1.00 0.00 H new ATOM 509 N ILE A 37 -2.147 6.391 4.641 1.00 0.00 N ATOM 510 CA ILE A 37 -1.034 7.361 4.438 1.00 0.00 C ATOM 511 C ILE A 37 -1.319 8.212 3.198 1.00 0.00 C ATOM 512 O ILE A 37 -2.066 7.822 2.324 1.00 0.00 O ATOM 513 CB ILE A 37 0.277 6.598 4.239 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.074 5.504 3.187 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.700 5.957 5.562 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.389 4.757 2.965 1.00 0.00 C ATOM 0 H ILE A 37 -2.664 6.141 3.798 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.951 8.007 5.312 1.00 0.00 H new ATOM 0 HB ILE A 37 1.052 7.288 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.700 4.810 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.268 5.945 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.634 5.413 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.842 6.734 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.075 5.267 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.243 3.979 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.150 5.456 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.712 4.303 3.902 1.00 0.00 H new ATOM 528 N SER A 38 -0.727 9.372 3.114 1.00 0.00 N ATOM 529 CA SER A 38 -0.963 10.244 1.929 1.00 0.00 C ATOM 530 C SER A 38 0.070 9.919 0.850 1.00 0.00 C ATOM 531 O SER A 38 0.571 8.815 0.770 1.00 0.00 O ATOM 532 CB SER A 38 -0.829 11.711 2.340 1.00 0.00 C ATOM 533 OG SER A 38 0.538 12.096 2.272 1.00 0.00 O ATOM 0 H SER A 38 -0.091 9.753 3.814 1.00 0.00 H new ATOM 0 HA SER A 38 -1.966 10.068 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.429 12.341 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.209 11.853 3.352 1.00 0.00 H new ATOM 0 HG SER A 38 0.626 13.036 2.533 1.00 0.00 H new ATOM 539 N THR A 39 0.397 10.870 0.018 1.00 0.00 N ATOM 540 CA THR A 39 1.400 10.609 -1.050 1.00 0.00 C ATOM 541 C THR A 39 2.805 10.825 -0.487 1.00 0.00 C ATOM 542 O THR A 39 3.683 10.001 -0.649 1.00 0.00 O ATOM 543 CB THR A 39 1.166 11.565 -2.221 1.00 0.00 C ATOM 544 OG1 THR A 39 1.800 12.810 -1.948 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.337 11.777 -2.415 1.00 0.00 C ATOM 0 H THR A 39 0.013 11.815 0.033 1.00 0.00 H new ATOM 0 HA THR A 39 1.300 9.581 -1.400 1.00 0.00 H new ATOM 0 HB THR A 39 1.587 11.139 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.987 13.273 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.504 12.458 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.815 10.821 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.764 12.203 -1.508 1.00 0.00 H new ATOM 553 N LYS A 40 3.024 11.927 0.177 1.00 0.00 N ATOM 554 CA LYS A 40 4.372 12.193 0.753 1.00 0.00 C ATOM 555 C LYS A 40 4.808 10.993 1.597 1.00 0.00 C ATOM 556 O LYS A 40 5.981 10.717 1.742 1.00 0.00 O ATOM 557 CB LYS A 40 4.314 13.444 1.632 1.00 0.00 C ATOM 558 CG LYS A 40 5.715 14.041 1.762 1.00 0.00 C ATOM 559 CD LYS A 40 6.454 13.362 2.916 1.00 0.00 C ATOM 560 CE LYS A 40 6.277 14.187 4.193 1.00 0.00 C ATOM 561 NZ LYS A 40 7.458 15.077 4.377 1.00 0.00 N ATOM 0 H LYS A 40 2.328 12.654 0.345 1.00 0.00 H new ATOM 0 HA LYS A 40 5.089 12.351 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.634 14.176 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.922 13.191 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.267 13.905 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.649 15.114 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.068 12.354 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.513 13.266 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.366 14.782 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.168 13.527 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.338 15.638 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.319 14.499 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.542 15.716 3.561 1.00 0.00 H new ATOM 575 N GLU A 41 3.870 10.274 2.152 1.00 0.00 N ATOM 576 CA GLU A 41 4.232 9.092 2.982 1.00 0.00 C ATOM 577 C GLU A 41 4.426 7.878 2.072 1.00 0.00 C ATOM 578 O GLU A 41 5.264 7.034 2.316 1.00 0.00 O ATOM 579 CB GLU A 41 3.114 8.808 3.988 1.00 0.00 C ATOM 580 CG GLU A 41 3.098 9.905 5.054 1.00 0.00 C ATOM 581 CD GLU A 41 1.931 9.667 6.013 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.213 8.700 5.814 1.00 0.00 O ATOM 583 OE2 GLU A 41 1.775 10.455 6.932 1.00 0.00 O ATOM 0 H GLU A 41 2.870 10.455 2.066 1.00 0.00 H new ATOM 0 HA GLU A 41 5.157 9.294 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.152 8.768 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.268 7.835 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.039 9.907 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.002 10.883 4.583 1.00 0.00 H new ATOM 590 N LEU A 42 3.659 7.786 1.019 1.00 0.00 N ATOM 591 CA LEU A 42 3.806 6.632 0.091 1.00 0.00 C ATOM 592 C LEU A 42 5.123 6.766 -0.674 1.00 0.00 C ATOM 593 O LEU A 42 5.579 5.840 -1.316 1.00 0.00 O ATOM 594 CB LEU A 42 2.640 6.622 -0.900 1.00 0.00 C ATOM 595 CG LEU A 42 2.869 5.533 -1.950 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.592 4.707 -2.114 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.231 6.183 -3.287 1.00 0.00 C ATOM 0 H LEU A 42 2.938 8.460 0.763 1.00 0.00 H new ATOM 0 HA LEU A 42 3.805 5.702 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.703 6.442 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.552 7.595 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 42 3.683 4.883 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.754 3.931 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.333 4.245 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.778 5.356 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.394 5.408 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.416 6.832 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.140 6.773 -3.171 1.00 0.00 H new ATOM 609 N GLY A 43 5.739 7.916 -0.611 1.00 0.00 N ATOM 610 CA GLY A 43 7.028 8.115 -1.333 1.00 0.00 C ATOM 611 C GLY A 43 8.173 8.203 -0.323 1.00 0.00 C ATOM 612 O GLY A 43 9.308 7.896 -0.628 1.00 0.00 O ATOM 0 H GLY A 43 5.405 8.727 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.201 7.289 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.985 9.026 -1.930 1.00 0.00 H new ATOM 616 N THR A 44 7.886 8.620 0.881 1.00 0.00 N ATOM 617 CA THR A 44 8.961 8.724 1.908 1.00 0.00 C ATOM 618 C THR A 44 9.174 7.357 2.559 1.00 0.00 C ATOM 619 O THR A 44 10.234 7.062 3.076 1.00 0.00 O ATOM 620 CB THR A 44 8.554 9.747 2.975 1.00 0.00 C ATOM 621 OG1 THR A 44 9.690 10.084 3.759 1.00 0.00 O ATOM 622 CG2 THR A 44 7.470 9.152 3.874 1.00 0.00 C ATOM 0 H THR A 44 6.955 8.893 1.197 1.00 0.00 H new ATOM 0 HA THR A 44 9.888 9.048 1.435 1.00 0.00 H new ATOM 0 HB THR A 44 8.165 10.642 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.434 10.739 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.184 9.882 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.599 8.893 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.853 8.256 4.361 1.00 0.00 H new ATOM 630 N VAL A 45 8.176 6.517 2.533 1.00 0.00 N ATOM 631 CA VAL A 45 8.321 5.167 3.145 1.00 0.00 C ATOM 632 C VAL A 45 9.425 4.398 2.416 1.00 0.00 C ATOM 633 O VAL A 45 10.303 3.824 3.028 1.00 0.00 O ATOM 634 CB VAL A 45 6.998 4.409 3.017 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.597 4.326 1.543 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.165 2.994 3.578 1.00 0.00 C ATOM 0 H VAL A 45 7.266 6.708 2.114 1.00 0.00 H new ATOM 0 HA VAL A 45 8.582 5.266 4.199 1.00 0.00 H new ATOM 0 HB VAL A 45 6.224 4.935 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.655 3.786 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.479 5.332 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.372 3.801 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.223 2.453 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.940 2.470 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.451 3.050 4.628 1.00 0.00 H new ATOM 646 N MET A 46 9.390 4.390 1.111 1.00 0.00 N ATOM 647 CA MET A 46 10.439 3.665 0.341 1.00 0.00 C ATOM 648 C MET A 46 11.615 4.609 0.086 1.00 0.00 C ATOM 649 O MET A 46 12.760 4.202 0.071 1.00 0.00 O ATOM 650 CB MET A 46 9.857 3.196 -0.995 1.00 0.00 C ATOM 651 CG MET A 46 9.615 4.406 -1.900 1.00 0.00 C ATOM 652 SD MET A 46 8.813 3.865 -3.431 1.00 0.00 S ATOM 653 CE MET A 46 7.139 3.700 -2.767 1.00 0.00 C ATOM 0 H MET A 46 8.680 4.855 0.545 1.00 0.00 H new ATOM 0 HA MET A 46 10.781 2.799 0.908 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.542 2.499 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.922 2.660 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.989 5.137 -1.388 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.560 4.899 -2.127 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.767 2.694 -2.963 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.155 3.878 -1.692 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.484 4.428 -3.246 1.00 0.00 H new ATOM 663 N ARG A 47 11.340 5.869 -0.109 1.00 0.00 N ATOM 664 CA ARG A 47 12.439 6.844 -0.353 1.00 0.00 C ATOM 665 C ARG A 47 12.905 7.420 0.985 1.00 0.00 C ATOM 666 O ARG A 47 13.510 8.472 1.044 1.00 0.00 O ATOM 667 CB ARG A 47 11.927 7.978 -1.244 1.00 0.00 C ATOM 668 CG ARG A 47 13.113 8.700 -1.886 1.00 0.00 C ATOM 669 CD ARG A 47 13.256 8.251 -3.342 1.00 0.00 C ATOM 670 NE ARG A 47 11.937 8.359 -4.027 1.00 0.00 N ATOM 671 CZ ARG A 47 11.678 7.615 -5.068 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.596 7.418 -5.974 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.501 7.068 -5.203 1.00 0.00 N ATOM 0 H ARG A 47 10.400 6.266 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 47 13.271 6.342 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.270 7.579 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.337 8.679 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.964 9.779 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.028 8.481 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.995 8.868 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.616 7.223 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 47 11.236 9.015 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.516 7.845 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.393 6.837 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.783 7.222 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.299 6.487 -6.017 1.00 0.00 H new ATOM 687 N MET A 48 12.624 6.737 2.062 1.00 0.00 N ATOM 688 CA MET A 48 13.045 7.244 3.398 1.00 0.00 C ATOM 689 C MET A 48 14.548 7.524 3.391 1.00 0.00 C ATOM 690 O MET A 48 14.985 8.628 3.653 1.00 0.00 O ATOM 691 CB MET A 48 12.725 6.195 4.464 1.00 0.00 C ATOM 692 CG MET A 48 12.898 6.813 5.852 1.00 0.00 C ATOM 693 SD MET A 48 12.390 5.617 7.113 1.00 0.00 S ATOM 694 CE MET A 48 10.707 6.238 7.345 1.00 0.00 C ATOM 0 H MET A 48 12.121 5.850 2.073 1.00 0.00 H new ATOM 0 HA MET A 48 12.508 8.166 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 48 11.704 5.833 4.339 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.384 5.334 4.352 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.938 7.101 6.007 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.300 7.721 5.935 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.197 5.635 8.096 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.745 7.276 7.677 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.164 6.178 6.402 1.00 0.00 H new ATOM 704 N LEU A 49 15.345 6.536 3.092 1.00 0.00 N ATOM 705 CA LEU A 49 16.820 6.756 3.069 1.00 0.00 C ATOM 706 C LEU A 49 17.257 7.192 1.668 1.00 0.00 C ATOM 707 O LEU A 49 18.330 6.858 1.209 1.00 0.00 O ATOM 708 CB LEU A 49 17.575 5.477 3.484 1.00 0.00 C ATOM 709 CG LEU A 49 17.022 4.219 2.784 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.825 3.671 3.563 1.00 0.00 C ATOM 711 CD2 LEU A 49 16.600 4.535 1.344 1.00 0.00 C ATOM 0 H LEU A 49 15.042 5.589 2.863 1.00 0.00 H new ATOM 0 HA LEU A 49 17.063 7.541 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.633 5.588 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.504 5.350 4.564 1.00 0.00 H new ATOM 0 HG LEU A 49 17.812 3.469 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.441 2.783 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.137 3.411 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.043 4.429 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.214 3.632 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.824 5.301 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.462 4.897 0.783 1.00 0.00 H new ATOM 723 N GLY A 50 16.428 7.935 0.987 1.00 0.00 N ATOM 724 CA GLY A 50 16.792 8.393 -0.384 1.00 0.00 C ATOM 725 C GLY A 50 16.856 9.921 -0.414 1.00 0.00 C ATOM 726 O GLY A 50 17.799 10.522 0.061 1.00 0.00 O ATOM 0 H GLY A 50 15.515 8.245 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.755 7.973 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.057 8.035 -1.105 1.00 0.00 H new ATOM 730 N GLN A 51 15.859 10.554 -0.970 1.00 0.00 N ATOM 731 CA GLN A 51 15.859 12.044 -1.034 1.00 0.00 C ATOM 732 C GLN A 51 14.449 12.531 -0.782 1.00 0.00 C ATOM 733 O GLN A 51 13.498 11.829 -1.062 1.00 0.00 O ATOM 734 CB GLN A 51 16.254 12.520 -2.436 1.00 0.00 C ATOM 735 CG GLN A 51 16.865 11.375 -3.250 1.00 0.00 C ATOM 736 CD GLN A 51 17.947 11.928 -4.179 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.732 12.906 -4.867 1.00 0.00 O ATOM 738 NE2 GLN A 51 19.110 11.339 -4.227 1.00 0.00 N ATOM 0 H GLN A 51 15.043 10.103 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 51 16.564 12.427 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 51 15.377 12.911 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.970 13.339 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.292 10.628 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.091 10.876 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.290 10.518 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.839 11.700 -4.842 1.00 0.00 H new ATOM 747 N ASN A 52 14.263 13.729 -0.306 1.00 0.00 N ATOM 748 CA ASN A 52 12.863 14.152 -0.137 1.00 0.00 C ATOM 749 C ASN A 52 12.294 14.213 -1.552 1.00 0.00 C ATOM 750 O ASN A 52 12.875 14.839 -2.416 1.00 0.00 O ATOM 751 CB ASN A 52 12.804 15.540 0.502 1.00 0.00 C ATOM 752 CG ASN A 52 13.164 15.438 1.985 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.824 14.506 2.399 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.755 16.365 2.808 1.00 0.00 N ATOM 0 H ASN A 52 14.985 14.399 -0.040 1.00 0.00 H new ATOM 0 HA ASN A 52 12.306 13.471 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.495 16.214 -0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.805 15.962 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.990 16.307 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.201 17.147 2.460 1.00 0.00 H new ATOM 761 N PRO A 53 11.186 13.570 -1.760 1.00 0.00 N ATOM 762 CA PRO A 53 10.536 13.545 -3.071 1.00 0.00 C ATOM 763 C PRO A 53 9.517 14.684 -3.186 1.00 0.00 C ATOM 764 O PRO A 53 9.368 15.489 -2.288 1.00 0.00 O ATOM 765 CB PRO A 53 9.847 12.182 -3.067 1.00 0.00 C ATOM 766 CG PRO A 53 9.643 11.797 -1.578 1.00 0.00 C ATOM 767 CD PRO A 53 10.506 12.755 -0.744 1.00 0.00 C ATOM 0 HA PRO A 53 11.220 13.680 -3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.892 12.228 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.456 11.438 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.593 11.881 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.937 10.762 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.898 13.367 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.218 12.215 -0.119 1.00 0.00 H new ATOM 775 N THR A 54 8.820 14.760 -4.287 1.00 0.00 N ATOM 776 CA THR A 54 7.817 15.849 -4.459 1.00 0.00 C ATOM 777 C THR A 54 6.430 15.337 -4.065 1.00 0.00 C ATOM 778 O THR A 54 6.166 14.151 -4.087 1.00 0.00 O ATOM 779 CB THR A 54 7.796 16.293 -5.925 1.00 0.00 C ATOM 780 OG1 THR A 54 9.129 16.473 -6.392 1.00 0.00 O ATOM 781 CG2 THR A 54 7.031 17.610 -6.049 1.00 0.00 C ATOM 0 H THR A 54 8.902 14.116 -5.074 1.00 0.00 H new ATOM 0 HA THR A 54 8.086 16.693 -3.823 1.00 0.00 H new ATOM 0 HB THR A 54 7.304 15.528 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.112 16.755 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.016 17.925 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.009 17.471 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.522 18.374 -5.446 1.00 0.00 H new ATOM 789 N LYS A 55 5.541 16.222 -3.704 1.00 0.00 N ATOM 790 CA LYS A 55 4.171 15.786 -3.310 1.00 0.00 C ATOM 791 C LYS A 55 3.412 15.311 -4.549 1.00 0.00 C ATOM 792 O LYS A 55 2.474 14.545 -4.459 1.00 0.00 O ATOM 793 CB LYS A 55 3.421 16.963 -2.684 1.00 0.00 C ATOM 794 CG LYS A 55 2.126 16.461 -2.041 1.00 0.00 C ATOM 795 CD LYS A 55 0.926 17.005 -2.819 1.00 0.00 C ATOM 796 CE LYS A 55 -0.326 16.937 -1.941 1.00 0.00 C ATOM 797 NZ LYS A 55 -1.096 15.703 -2.268 1.00 0.00 N ATOM 0 H LYS A 55 5.704 17.228 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 55 4.244 14.972 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.046 17.449 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.196 17.710 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.107 15.371 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.075 16.783 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.113 18.034 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.776 16.425 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.045 16.935 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.946 17.819 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.947 15.656 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.376 15.724 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.503 14.867 -2.091 1.00 0.00 H new ATOM 811 N GLU A 56 3.809 15.764 -5.705 1.00 0.00 N ATOM 812 CA GLU A 56 3.106 15.342 -6.950 1.00 0.00 C ATOM 813 C GLU A 56 3.770 14.079 -7.500 1.00 0.00 C ATOM 814 O GLU A 56 3.156 13.293 -8.193 1.00 0.00 O ATOM 815 CB GLU A 56 3.192 16.458 -7.997 1.00 0.00 C ATOM 816 CG GLU A 56 3.317 17.814 -7.301 1.00 0.00 C ATOM 817 CD GLU A 56 2.823 18.918 -8.239 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.049 18.798 -9.432 1.00 0.00 O ATOM 819 OE2 GLU A 56 2.229 19.864 -7.748 1.00 0.00 O ATOM 0 H GLU A 56 4.589 16.407 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 56 2.059 15.140 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.050 16.293 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.305 16.444 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.734 17.817 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.355 17.997 -7.022 1.00 0.00 H new ATOM 826 N GLU A 57 5.024 13.883 -7.200 1.00 0.00 N ATOM 827 CA GLU A 57 5.734 12.677 -7.707 1.00 0.00 C ATOM 828 C GLU A 57 5.030 11.415 -7.204 1.00 0.00 C ATOM 829 O GLU A 57 5.027 10.391 -7.859 1.00 0.00 O ATOM 830 CB GLU A 57 7.179 12.691 -7.203 1.00 0.00 C ATOM 831 CG GLU A 57 7.931 11.485 -7.769 1.00 0.00 C ATOM 832 CD GLU A 57 9.163 11.205 -6.909 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.274 11.808 -5.854 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.975 10.391 -7.319 1.00 0.00 O ATOM 0 H GLU A 57 5.588 14.508 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 57 5.726 12.683 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.672 13.615 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.195 12.664 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.279 10.611 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.230 11.680 -8.799 1.00 0.00 H new ATOM 841 N LEU A 58 4.434 11.477 -6.045 1.00 0.00 N ATOM 842 CA LEU A 58 3.734 10.277 -5.502 1.00 0.00 C ATOM 843 C LEU A 58 2.275 10.286 -5.960 1.00 0.00 C ATOM 844 O LEU A 58 1.571 9.303 -5.839 1.00 0.00 O ATOM 845 CB LEU A 58 3.792 10.304 -3.973 1.00 0.00 C ATOM 846 CG LEU A 58 5.247 10.184 -3.511 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.946 9.069 -4.292 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.969 11.509 -3.760 1.00 0.00 C ATOM 0 H LEU A 58 4.401 12.305 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 58 4.222 9.374 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.357 11.231 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.201 9.485 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 58 5.270 9.948 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.981 8.986 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.432 8.124 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.923 9.301 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.005 11.426 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.943 11.743 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.474 12.304 -3.202 1.00 0.00 H new ATOM 860 N ASP A 59 1.813 11.387 -6.487 1.00 0.00 N ATOM 861 CA ASP A 59 0.400 11.452 -6.954 1.00 0.00 C ATOM 862 C ASP A 59 0.219 10.524 -8.156 1.00 0.00 C ATOM 863 O ASP A 59 -0.852 10.003 -8.396 1.00 0.00 O ATOM 864 CB ASP A 59 0.062 12.887 -7.360 1.00 0.00 C ATOM 865 CG ASP A 59 -1.446 13.111 -7.239 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.190 12.277 -7.729 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.833 14.112 -6.657 1.00 0.00 O ATOM 0 H ASP A 59 2.353 12.243 -6.614 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.264 11.138 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.597 13.592 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.387 13.072 -8.384 1.00 0.00 H new ATOM 872 N ALA A 60 1.261 10.311 -8.913 1.00 0.00 N ATOM 873 CA ALA A 60 1.151 9.415 -10.099 1.00 0.00 C ATOM 874 C ALA A 60 0.873 7.985 -9.632 1.00 0.00 C ATOM 875 O ALA A 60 -0.092 7.368 -10.034 1.00 0.00 O ATOM 876 CB ALA A 60 2.461 9.452 -10.888 1.00 0.00 C ATOM 0 H ALA A 60 2.184 10.719 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 60 0.335 9.753 -10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.382 8.797 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.657 10.472 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.279 9.114 -10.252 1.00 0.00 H new ATOM 882 N ILE A 61 1.705 7.455 -8.779 1.00 0.00 N ATOM 883 CA ILE A 61 1.471 6.068 -8.285 1.00 0.00 C ATOM 884 C ILE A 61 0.228 6.069 -7.403 1.00 0.00 C ATOM 885 O ILE A 61 -0.412 5.055 -7.209 1.00 0.00 O ATOM 886 CB ILE A 61 2.667 5.587 -7.458 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.942 6.265 -7.947 1.00 0.00 C ATOM 888 CG2 ILE A 61 2.815 4.074 -7.601 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.310 7.377 -6.971 1.00 0.00 C ATOM 0 H ILE A 61 2.533 7.919 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 61 1.339 5.401 -9.137 1.00 0.00 H new ATOM 0 HB ILE A 61 2.500 5.842 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.753 5.540 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.793 6.674 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.667 3.734 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.909 3.584 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.975 3.822 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.221 7.871 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.499 8.104 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.473 6.952 -5.980 1.00 0.00 H new ATOM 901 N ILE A 62 -0.117 7.206 -6.864 1.00 0.00 N ATOM 902 CA ILE A 62 -1.315 7.281 -5.989 1.00 0.00 C ATOM 903 C ILE A 62 -2.559 7.511 -6.856 1.00 0.00 C ATOM 904 O ILE A 62 -3.673 7.467 -6.376 1.00 0.00 O ATOM 905 CB ILE A 62 -1.138 8.432 -4.984 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.423 7.900 -3.740 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.501 9.005 -4.570 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.382 7.015 -2.941 1.00 0.00 C ATOM 0 H ILE A 62 0.382 8.086 -6.994 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.436 6.348 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.552 9.222 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.459 7.329 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.077 8.730 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.353 9.818 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.019 9.383 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.099 8.221 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.874 6.635 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.251 7.600 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.706 6.178 -3.560 1.00 0.00 H new ATOM 920 N GLU A 63 -2.380 7.755 -8.126 1.00 0.00 N ATOM 921 CA GLU A 63 -3.556 7.987 -9.011 1.00 0.00 C ATOM 922 C GLU A 63 -4.099 6.643 -9.499 1.00 0.00 C ATOM 923 O GLU A 63 -5.258 6.519 -9.844 1.00 0.00 O ATOM 924 CB GLU A 63 -3.133 8.832 -10.214 1.00 0.00 C ATOM 925 CG GLU A 63 -4.321 9.002 -11.163 1.00 0.00 C ATOM 926 CD GLU A 63 -3.865 9.723 -12.433 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.207 10.742 -12.308 1.00 0.00 O ATOM 928 OE2 GLU A 63 -4.180 9.241 -13.510 1.00 0.00 O ATOM 0 H GLU A 63 -1.472 7.804 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.331 8.513 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.779 9.807 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.304 8.353 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.739 8.028 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.112 9.571 -10.674 1.00 0.00 H new ATOM 935 N GLU A 64 -3.270 5.636 -9.533 1.00 0.00 N ATOM 936 CA GLU A 64 -3.738 4.302 -10.002 1.00 0.00 C ATOM 937 C GLU A 64 -4.356 3.527 -8.835 1.00 0.00 C ATOM 938 O GLU A 64 -5.035 2.538 -9.028 1.00 0.00 O ATOM 939 CB GLU A 64 -2.552 3.514 -10.565 1.00 0.00 C ATOM 940 CG GLU A 64 -1.430 3.470 -9.526 1.00 0.00 C ATOM 941 CD GLU A 64 -0.603 2.198 -9.722 1.00 0.00 C ATOM 942 OE1 GLU A 64 -0.011 2.057 -10.779 1.00 0.00 O ATOM 943 OE2 GLU A 64 -0.576 1.388 -8.811 1.00 0.00 O ATOM 0 H GLU A 64 -2.289 5.680 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.489 4.439 -10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.864 2.502 -10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.194 3.981 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.793 4.349 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.850 3.492 -8.520 1.00 0.00 H new ATOM 950 N VAL A 65 -4.129 3.964 -7.625 1.00 0.00 N ATOM 951 CA VAL A 65 -4.710 3.242 -6.456 1.00 0.00 C ATOM 952 C VAL A 65 -5.852 4.066 -5.856 1.00 0.00 C ATOM 953 O VAL A 65 -6.877 3.534 -5.476 1.00 0.00 O ATOM 954 CB VAL A 65 -3.631 3.024 -5.393 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.869 1.732 -5.695 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.658 4.204 -5.405 1.00 0.00 C ATOM 0 H VAL A 65 -3.569 4.785 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.092 2.277 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.099 2.948 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.101 1.577 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.562 0.891 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.401 1.807 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.889 4.049 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.191 4.280 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.200 5.125 -5.189 1.00 0.00 H new ATOM 966 N ASP A 66 -5.686 5.358 -5.764 1.00 0.00 N ATOM 967 CA ASP A 66 -6.768 6.204 -5.183 1.00 0.00 C ATOM 968 C ASP A 66 -7.770 6.593 -6.277 1.00 0.00 C ATOM 969 O ASP A 66 -8.286 7.693 -6.295 1.00 0.00 O ATOM 970 CB ASP A 66 -6.152 7.465 -4.558 1.00 0.00 C ATOM 971 CG ASP A 66 -5.896 8.531 -5.631 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.836 8.172 -6.797 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.766 9.687 -5.268 1.00 0.00 O ATOM 0 H ASP A 66 -4.852 5.862 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.293 5.641 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.821 7.863 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.216 7.211 -4.060 1.00 0.00 H new ATOM 978 N GLU A 67 -8.050 5.701 -7.189 1.00 0.00 N ATOM 979 CA GLU A 67 -9.016 6.025 -8.276 1.00 0.00 C ATOM 980 C GLU A 67 -10.322 6.536 -7.663 1.00 0.00 C ATOM 981 O GLU A 67 -11.112 7.188 -8.318 1.00 0.00 O ATOM 982 CB GLU A 67 -9.298 4.767 -9.101 1.00 0.00 C ATOM 983 CG GLU A 67 -9.627 3.606 -8.162 1.00 0.00 C ATOM 984 CD GLU A 67 -10.739 2.753 -8.775 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.421 1.880 -9.565 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.889 2.987 -8.444 1.00 0.00 O ATOM 0 H GLU A 67 -7.651 4.763 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.592 6.795 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.130 4.945 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.431 4.519 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.738 2.998 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.941 3.988 -7.190 1.00 0.00 H new ATOM 993 N ASP A 68 -10.556 6.246 -6.413 1.00 0.00 N ATOM 994 CA ASP A 68 -11.811 6.717 -5.764 1.00 0.00 C ATOM 995 C ASP A 68 -11.780 8.243 -5.645 1.00 0.00 C ATOM 996 O ASP A 68 -12.756 8.915 -5.912 1.00 0.00 O ATOM 997 CB ASP A 68 -11.930 6.100 -4.370 1.00 0.00 C ATOM 998 CG ASP A 68 -10.562 6.114 -3.685 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.161 7.171 -3.229 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.939 5.065 -3.626 1.00 0.00 O ATOM 0 H ASP A 68 -9.933 5.704 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.667 6.415 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.652 6.658 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.301 5.078 -4.444 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.666 8.794 -5.249 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.573 10.276 -5.114 1.00 0.00 C ATOM 1007 C GLY A 69 -10.224 10.640 -3.671 1.00 0.00 C ATOM 1008 O GLY A 69 -11.052 11.123 -2.924 1.00 0.00 O ATOM 0 H GLY A 69 -9.816 8.283 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.813 10.666 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.519 10.737 -5.397 1.00 0.00 H new ATOM 1012 N SER A 70 -9.002 10.417 -3.270 1.00 0.00 N ATOM 1013 CA SER A 70 -8.603 10.751 -1.874 1.00 0.00 C ATOM 1014 C SER A 70 -7.106 11.069 -1.831 1.00 0.00 C ATOM 1015 O SER A 70 -6.688 12.061 -1.269 1.00 0.00 O ATOM 1016 CB SER A 70 -8.899 9.561 -0.961 1.00 0.00 C ATOM 1017 OG SER A 70 -9.134 10.029 0.360 1.00 0.00 O ATOM 0 H SER A 70 -8.263 10.018 -3.849 1.00 0.00 H new ATOM 0 HA SER A 70 -9.167 11.619 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.769 9.016 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.060 8.865 -0.969 1.00 0.00 H new ATOM 0 HG SER A 70 -9.326 9.268 0.947 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.297 10.234 -2.421 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.828 10.486 -2.414 1.00 0.00 C ATOM 1025 C GLY A 71 -4.192 9.764 -1.226 1.00 0.00 C ATOM 1026 O GLY A 71 -3.204 10.208 -0.674 1.00 0.00 O ATOM 0 H GLY A 71 -6.589 9.387 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.384 10.136 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.632 11.556 -2.350 1.00 0.00 H new ATOM 1030 N THR A 72 -4.748 8.653 -0.828 1.00 0.00 N ATOM 1031 CA THR A 72 -4.173 7.903 0.328 1.00 0.00 C ATOM 1032 C THR A 72 -4.354 6.400 0.095 1.00 0.00 C ATOM 1033 O THR A 72 -4.965 5.980 -0.868 1.00 0.00 O ATOM 1034 CB THR A 72 -4.878 8.314 1.637 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.514 7.180 2.213 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.927 9.395 1.363 1.00 0.00 C ATOM 0 H THR A 72 -5.575 8.231 -1.252 1.00 0.00 H new ATOM 0 HA THR A 72 -3.112 8.138 0.414 1.00 0.00 H new ATOM 0 HB THR A 72 -4.131 8.710 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.960 7.443 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.415 9.674 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.443 10.271 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.671 9.011 0.665 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.827 5.586 0.970 1.00 0.00 N ATOM 1045 CA ILE A 73 -3.970 4.112 0.796 1.00 0.00 C ATOM 1046 C ILE A 73 -4.192 3.455 2.161 1.00 0.00 C ATOM 1047 O ILE A 73 -3.855 4.008 3.189 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.698 3.550 0.159 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.485 4.336 0.664 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.790 3.677 -1.363 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.243 3.443 0.627 1.00 0.00 C ATOM 0 H ILE A 73 -3.305 5.878 1.796 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.823 3.903 0.151 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.590 2.500 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.328 5.220 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.663 4.686 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.884 3.277 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.654 3.118 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.898 4.727 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.619 4.004 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.401 2.573 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.061 3.115 -0.396 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.755 2.277 2.179 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.997 1.585 3.478 1.00 0.00 C ATOM 1065 C ASP A 74 -4.979 0.070 3.261 1.00 0.00 C ATOM 1066 O ASP A 74 -4.562 -0.415 2.228 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.358 2.005 4.035 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.454 1.661 3.024 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.313 2.042 1.874 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.416 1.023 3.418 1.00 0.00 O ATOM 0 H ASP A 74 -5.058 1.764 1.351 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.215 1.859 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.548 1.496 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.363 3.075 4.242 1.00 0.00 H new ATOM 1075 N PHE A 75 -5.425 -0.682 4.230 1.00 0.00 N ATOM 1076 CA PHE A 75 -5.431 -2.167 4.086 1.00 0.00 C ATOM 1077 C PHE A 75 -6.453 -2.587 3.026 1.00 0.00 C ATOM 1078 O PHE A 75 -6.555 -3.746 2.680 1.00 0.00 O ATOM 1079 CB PHE A 75 -5.800 -2.806 5.425 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.544 -3.225 6.148 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -3.492 -2.314 6.308 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.429 -4.523 6.658 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -2.328 -2.701 6.979 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -3.263 -4.910 7.330 1.00 0.00 C ATOM 1085 CZ PHE A 75 -2.212 -3.999 7.491 1.00 0.00 C ATOM 0 H PHE A 75 -5.786 -0.332 5.117 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.439 -2.499 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.364 -2.099 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.444 -3.670 5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.580 -1.313 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.239 -5.226 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.518 -1.998 7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.174 -5.912 7.724 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.313 -4.297 8.010 1.00 0.00 H new ATOM 1095 N GLU A 76 -7.214 -1.661 2.511 1.00 0.00 N ATOM 1096 CA GLU A 76 -8.225 -2.026 1.480 1.00 0.00 C ATOM 1097 C GLU A 76 -7.574 -2.008 0.095 1.00 0.00 C ATOM 1098 O GLU A 76 -7.528 -3.010 -0.592 1.00 0.00 O ATOM 1099 CB GLU A 76 -9.378 -1.021 1.514 1.00 0.00 C ATOM 1100 CG GLU A 76 -10.659 -1.701 1.025 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.885 -1.365 -0.450 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.907 -1.295 -1.177 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -12.030 -1.185 -0.828 1.00 0.00 O ATOM 0 H GLU A 76 -7.180 -0.672 2.758 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.608 -3.025 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.517 -0.644 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.145 -0.162 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.583 -2.780 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.510 -1.368 1.619 1.00 0.00 H new ATOM 1110 N GLU A 77 -7.073 -0.878 -0.323 1.00 0.00 N ATOM 1111 CA GLU A 77 -6.428 -0.800 -1.666 1.00 0.00 C ATOM 1112 C GLU A 77 -4.949 -1.178 -1.549 1.00 0.00 C ATOM 1113 O GLU A 77 -4.461 -2.034 -2.259 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.551 0.626 -2.206 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.625 0.670 -3.294 1.00 0.00 C ATOM 1116 CD GLU A 77 -9.009 0.750 -2.645 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -9.158 1.514 -1.706 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.895 0.045 -3.098 1.00 0.00 O ATOM 0 H GLU A 77 -7.082 -0.006 0.206 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.923 -1.492 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.809 1.311 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.594 0.956 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.466 1.532 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.557 -0.218 -3.922 1.00 0.00 H new ATOM 1125 N PHE A 78 -4.233 -0.545 -0.660 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.787 -0.868 -0.501 1.00 0.00 C ATOM 1127 C PHE A 78 -2.601 -2.387 -0.498 1.00 0.00 C ATOM 1128 O PHE A 78 -1.653 -2.909 -1.054 1.00 0.00 O ATOM 1129 CB PHE A 78 -2.281 -0.292 0.825 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.766 -0.227 0.832 1.00 0.00 C ATOM 1131 CD1 PHE A 78 -0.025 -0.696 -0.263 1.00 0.00 C ATOM 1132 CD2 PHE A 78 -0.103 0.305 1.945 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.373 -0.631 -0.243 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.296 0.369 1.965 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.033 -0.098 0.870 1.00 0.00 C ATOM 0 H PHE A 78 -4.587 0.181 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.224 -0.434 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.694 0.705 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.628 -0.910 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.534 -1.108 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.671 0.666 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.942 -0.992 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.806 0.778 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.112 -0.047 0.884 1.00 0.00 H new ATOM 1145 N LEU A 79 -3.496 -3.099 0.130 1.00 0.00 N ATOM 1146 CA LEU A 79 -3.372 -4.585 0.179 1.00 0.00 C ATOM 1147 C LEU A 79 -3.336 -5.152 -1.242 1.00 0.00 C ATOM 1148 O LEU A 79 -2.502 -5.972 -1.572 1.00 0.00 O ATOM 1149 CB LEU A 79 -4.570 -5.169 0.929 1.00 0.00 C ATOM 1150 CG LEU A 79 -4.094 -5.807 2.236 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -5.293 -6.383 2.993 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.106 -6.932 1.921 1.00 0.00 C ATOM 0 H LEU A 79 -4.309 -2.716 0.612 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.449 -4.852 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.298 -4.385 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.072 -5.913 0.311 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.606 -5.051 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.952 -6.837 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.000 -5.584 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.782 -7.139 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.765 -7.388 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.597 -7.686 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.251 -6.525 1.382 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.239 -4.730 -2.087 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.254 -5.257 -3.481 1.00 0.00 C ATOM 1166 C VAL A 80 -3.068 -4.689 -4.262 1.00 0.00 C ATOM 1167 O VAL A 80 -2.713 -5.182 -5.314 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.561 -4.851 -4.165 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.742 -5.231 -3.273 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -5.569 -3.339 -4.401 1.00 0.00 C ATOM 0 H VAL A 80 -4.964 -4.045 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.179 -6.344 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.644 -5.368 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.673 -4.942 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.739 -6.308 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.657 -4.714 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.501 -3.052 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.485 -2.821 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.727 -3.066 -5.037 1.00 0.00 H new ATOM 1180 N MET A 81 -2.451 -3.655 -3.757 1.00 0.00 N ATOM 1181 CA MET A 81 -1.289 -3.062 -4.477 1.00 0.00 C ATOM 1182 C MET A 81 -0.014 -3.821 -4.102 1.00 0.00 C ATOM 1183 O MET A 81 0.981 -3.762 -4.796 1.00 0.00 O ATOM 1184 CB MET A 81 -1.142 -1.591 -4.086 1.00 0.00 C ATOM 1185 CG MET A 81 -0.576 -0.804 -5.270 1.00 0.00 C ATOM 1186 SD MET A 81 1.027 -0.096 -4.814 1.00 0.00 S ATOM 1187 CE MET A 81 0.485 0.734 -3.301 1.00 0.00 C ATOM 0 H MET A 81 -2.700 -3.197 -2.880 1.00 0.00 H new ATOM 0 HA MET A 81 -1.452 -3.136 -5.552 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.109 -1.183 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.482 -1.497 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.464 -1.458 -6.135 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.267 -0.011 -5.557 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.292 1.786 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.428 0.264 -2.935 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.264 0.653 -2.543 1.00 0.00 H new ATOM 1197 N MET A 82 -0.036 -4.534 -3.010 1.00 0.00 N ATOM 1198 CA MET A 82 1.175 -5.297 -2.594 1.00 0.00 C ATOM 1199 C MET A 82 1.127 -6.699 -3.204 1.00 0.00 C ATOM 1200 O MET A 82 2.069 -7.148 -3.825 1.00 0.00 O ATOM 1201 CB MET A 82 1.213 -5.404 -1.070 1.00 0.00 C ATOM 1202 CG MET A 82 2.667 -5.450 -0.598 1.00 0.00 C ATOM 1203 SD MET A 82 3.207 -7.173 -0.473 1.00 0.00 S ATOM 1204 CE MET A 82 4.717 -6.871 0.478 1.00 0.00 C ATOM 0 H MET A 82 -0.840 -4.621 -2.388 1.00 0.00 H new ATOM 0 HA MET A 82 2.069 -4.779 -2.942 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.701 -4.552 -0.622 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.685 -6.300 -0.744 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.304 -4.908 -1.296 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.762 -4.957 0.369 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.220 -7.818 0.672 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.380 -6.217 -0.089 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.462 -6.395 1.425 1.00 0.00 H new ATOM 1214 N VAL A 83 0.037 -7.395 -3.032 1.00 0.00 N ATOM 1215 CA VAL A 83 -0.068 -8.767 -3.602 1.00 0.00 C ATOM 1216 C VAL A 83 0.258 -8.724 -5.097 1.00 0.00 C ATOM 1217 O VAL A 83 0.748 -9.681 -5.663 1.00 0.00 O ATOM 1218 CB VAL A 83 -1.489 -9.295 -3.406 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -1.649 -10.616 -4.159 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -1.745 -9.525 -1.915 1.00 0.00 C ATOM 0 H VAL A 83 -0.785 -7.073 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 83 0.637 -9.425 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.204 -8.568 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.662 -10.994 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.465 -10.454 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.935 -11.343 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.758 -9.902 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.030 -10.253 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.629 -8.584 -1.377 1.00 0.00 H new ATOM 1230 N ARG A 84 -0.013 -7.622 -5.742 1.00 0.00 N ATOM 1231 CA ARG A 84 0.281 -7.520 -7.198 1.00 0.00 C ATOM 1232 C ARG A 84 1.799 -7.545 -7.415 1.00 0.00 C ATOM 1233 O ARG A 84 2.511 -8.281 -6.763 1.00 0.00 O ATOM 1234 CB ARG A 84 -0.307 -6.214 -7.738 1.00 0.00 C ATOM 1235 CG ARG A 84 0.348 -5.028 -7.028 1.00 0.00 C ATOM 1236 CD ARG A 84 0.629 -3.915 -8.039 1.00 0.00 C ATOM 1237 NE ARG A 84 1.988 -3.356 -7.795 1.00 0.00 N ATOM 1238 CZ ARG A 84 2.148 -2.068 -7.651 1.00 0.00 C ATOM 1239 NH1 ARG A 84 1.704 -1.249 -8.565 1.00 0.00 N ATOM 1240 NH2 ARG A 84 2.752 -1.600 -6.593 1.00 0.00 N ATOM 0 H ARG A 84 -0.425 -6.788 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.166 -8.361 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.141 -6.145 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.385 -6.196 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.305 -4.659 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.277 -5.344 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.561 -4.305 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.121 -3.129 -7.949 1.00 0.00 H new ATOM 0 HE ARG A 84 2.794 -3.979 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.232 -1.615 -9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.829 -0.243 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.099 -2.240 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.877 -0.594 -6.480 1.00 0.00 H new ATOM 1254 N GLN A 85 2.305 -6.752 -8.325 1.00 0.00 N ATOM 1255 CA GLN A 85 3.774 -6.747 -8.572 1.00 0.00 C ATOM 1256 C GLN A 85 4.512 -6.319 -7.302 1.00 0.00 C ATOM 1257 O GLN A 85 4.792 -5.155 -7.098 1.00 0.00 O ATOM 1258 CB GLN A 85 4.101 -5.769 -9.702 1.00 0.00 C ATOM 1259 CG GLN A 85 5.604 -5.802 -9.985 1.00 0.00 C ATOM 1260 CD GLN A 85 5.840 -5.833 -11.495 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.230 -4.842 -12.081 1.00 0.00 O ATOM 1262 NE2 GLN A 85 5.618 -6.936 -12.156 1.00 0.00 N ATOM 0 H GLN A 85 1.764 -6.110 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 85 4.092 -7.751 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.545 -6.036 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.794 -4.760 -9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.086 -4.927 -9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.053 -6.679 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.291 -7.768 -11.665 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.772 -6.966 -13.164 1.00 0.00 H new ATOM 1271 N MET A 86 4.835 -7.252 -6.450 1.00 0.00 N ATOM 1272 CA MET A 86 5.560 -6.900 -5.198 1.00 0.00 C ATOM 1273 C MET A 86 7.065 -6.968 -5.455 1.00 0.00 C ATOM 1274 O MET A 86 7.537 -7.797 -6.207 1.00 0.00 O ATOM 1275 CB MET A 86 5.185 -7.892 -4.095 1.00 0.00 C ATOM 1276 CG MET A 86 5.434 -9.320 -4.585 1.00 0.00 C ATOM 1277 SD MET A 86 3.900 -10.274 -4.472 1.00 0.00 S ATOM 1278 CE MET A 86 4.285 -11.142 -2.932 1.00 0.00 C ATOM 0 H MET A 86 4.628 -8.244 -6.567 1.00 0.00 H new ATOM 0 HA MET A 86 5.286 -5.892 -4.886 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.774 -7.696 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 86 4.137 -7.768 -3.821 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.790 -9.305 -5.615 1.00 0.00 H new ATOM 0 HG3 MET A 86 6.213 -9.791 -3.985 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.450 -11.787 -2.659 1.00 0.00 H new ATOM 0 HE2 MET A 86 5.181 -11.748 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.457 -10.415 -2.138 1.00 0.00 H new ATOM 1288 N LYS A 87 7.826 -6.103 -4.841 1.00 0.00 N ATOM 1289 CA LYS A 87 9.299 -6.127 -5.057 1.00 0.00 C ATOM 1290 C LYS A 87 9.903 -7.307 -4.297 1.00 0.00 C ATOM 1291 O LYS A 87 11.044 -7.673 -4.506 1.00 0.00 O ATOM 1292 CB LYS A 87 9.913 -4.820 -4.552 1.00 0.00 C ATOM 1293 CG LYS A 87 10.544 -4.066 -5.725 1.00 0.00 C ATOM 1294 CD LYS A 87 10.829 -2.621 -5.312 1.00 0.00 C ATOM 1295 CE LYS A 87 9.803 -1.691 -5.965 1.00 0.00 C ATOM 1296 NZ LYS A 87 10.043 -0.292 -5.513 1.00 0.00 N ATOM 0 H LYS A 87 7.491 -5.383 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 87 9.510 -6.234 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.147 -4.205 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.667 -5.029 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.468 -4.556 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.874 -4.084 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.783 -2.526 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.837 -2.337 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.880 -1.752 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.793 -2.002 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.346 0.340 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.949 -0.240 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.002 0.002 -5.788 1.00 0.00 H new ATOM 1310 N GLU A 88 9.150 -7.910 -3.419 1.00 0.00 N ATOM 1311 CA GLU A 88 9.686 -9.069 -2.654 1.00 0.00 C ATOM 1312 C GLU A 88 10.372 -10.031 -3.624 1.00 0.00 C ATOM 1313 O GLU A 88 11.284 -10.748 -3.263 1.00 0.00 O ATOM 1314 CB GLU A 88 8.539 -9.789 -1.944 1.00 0.00 C ATOM 1315 CG GLU A 88 9.104 -10.906 -1.064 1.00 0.00 C ATOM 1316 CD GLU A 88 8.692 -10.670 0.390 1.00 0.00 C ATOM 1317 OE1 GLU A 88 7.508 -10.494 0.629 1.00 0.00 O ATOM 1318 OE2 GLU A 88 9.567 -10.671 1.241 1.00 0.00 O ATOM 0 H GLU A 88 8.188 -7.650 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 88 10.404 -8.720 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.974 -9.083 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.847 -10.204 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.735 -11.873 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.191 -10.933 -1.145 1.00 0.00 H new ATOM 1325 N ASP A 89 9.940 -10.050 -4.855 1.00 0.00 N ATOM 1326 CA ASP A 89 10.566 -10.963 -5.852 1.00 0.00 C ATOM 1327 C ASP A 89 9.966 -10.702 -7.234 1.00 0.00 C ATOM 1328 O ASP A 89 10.672 -10.460 -8.193 1.00 0.00 O ATOM 1329 CB ASP A 89 10.305 -12.415 -5.449 1.00 0.00 C ATOM 1330 CG ASP A 89 11.576 -13.020 -4.851 1.00 0.00 C ATOM 1331 OD1 ASP A 89 12.645 -12.732 -5.364 1.00 0.00 O ATOM 1332 OD2 ASP A 89 11.459 -13.763 -3.889 1.00 0.00 O ATOM 0 H ASP A 89 9.180 -9.472 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 89 11.640 -10.782 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.493 -12.461 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.990 -12.993 -6.318 1.00 0.00 H new ATOM 1337 N ALA A 90 8.667 -10.750 -7.348 1.00 0.00 N ATOM 1338 CA ALA A 90 8.029 -10.506 -8.671 1.00 0.00 C ATOM 1339 C ALA A 90 8.702 -11.383 -9.729 1.00 0.00 C ATOM 1340 O ALA A 90 8.214 -12.476 -9.963 1.00 0.00 O ATOM 1341 CB ALA A 90 8.191 -9.032 -9.051 1.00 0.00 C ATOM 1342 OXT ALA A 90 9.696 -10.946 -10.285 1.00 0.00 O ATOM 0 H ALA A 90 8.021 -10.947 -6.583 1.00 0.00 H new ATOM 0 HA ALA A 90 6.969 -10.752 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.724 -8.853 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.713 -8.407 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.251 -8.785 -9.108 1.00 0.00 H new TER 1348 ALA A 90