USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, 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+ -106:sc= 0.0747 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 6 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.4!) USER MOD Single : A 7 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.97) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 160:sc= -0.0368 (180deg=-0.903) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00563) USER MOD Single : A 38 SER OG : rot 180:sc= -0.642 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0101 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 180:sc= 0 (180deg=0) 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) USER MOD Single : A 52 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.141 (180deg=-0.393) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 152:sc= 0 (180deg=-0.783) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.02) USER MOD Single : A 86 MET CE :methyl -165:sc= -10.6! (180deg=-11.1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.307 -0.633 -16.187 1.00 0.00 N ATOM 2 CA ALA A 1 -20.951 -0.047 -16.149 1.00 0.00 C ATOM 3 C ALA A 1 -20.506 0.154 -14.675 1.00 0.00 C ATOM 4 O ALA A 1 -21.343 0.253 -13.769 1.00 0.00 O ATOM 5 CB ALA A 1 -20.929 1.275 -16.939 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.245 -1.634 -16.461 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.744 -0.558 -15.246 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.888 -0.120 -16.881 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.242 -0.727 -16.621 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.926 1.701 -16.907 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.209 1.084 -17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.636 1.976 -16.495 1.00 0.00 H new ATOM 13 N SER A 2 -19.180 0.238 -14.459 1.00 0.00 N ATOM 14 CA SER A 2 -18.588 0.442 -13.110 1.00 0.00 C ATOM 15 C SER A 2 -17.135 0.972 -13.248 1.00 0.00 C ATOM 16 O SER A 2 -16.194 0.193 -13.439 1.00 0.00 O ATOM 17 CB SER A 2 -18.660 -0.879 -12.311 1.00 0.00 C ATOM 18 OG SER A 2 -18.031 -0.753 -11.040 1.00 0.00 O ATOM 0 H SER A 2 -18.487 0.168 -15.204 1.00 0.00 H new ATOM 0 HA SER A 2 -19.154 1.192 -12.558 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.702 -1.168 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.180 -1.676 -12.879 1.00 0.00 H new ATOM 0 HG SER A 2 -18.094 -1.604 -10.558 1.00 0.00 H new ATOM 24 N MET A 3 -16.970 2.302 -13.119 1.00 0.00 N ATOM 25 CA MET A 3 -15.659 2.980 -13.293 1.00 0.00 C ATOM 26 C MET A 3 -15.851 4.514 -13.142 1.00 0.00 C ATOM 27 O MET A 3 -16.904 4.975 -12.687 1.00 0.00 O ATOM 28 CB MET A 3 -15.046 2.594 -14.667 1.00 0.00 C ATOM 29 CG MET A 3 -15.957 2.815 -15.891 1.00 0.00 C ATOM 30 SD MET A 3 -15.050 2.543 -17.431 1.00 0.00 S ATOM 31 CE MET A 3 -16.261 1.634 -18.413 1.00 0.00 C ATOM 0 H MET A 3 -17.734 2.939 -12.893 1.00 0.00 H new ATOM 0 HA MET A 3 -14.958 2.656 -12.524 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.131 3.168 -14.810 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.761 1.542 -14.634 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.809 2.137 -15.842 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.356 3.829 -15.874 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.836 1.400 -19.389 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.524 0.709 -17.901 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.155 2.244 -18.543 1.00 0.00 H new ATOM 41 N THR A 4 -14.820 5.286 -13.530 1.00 0.00 N ATOM 42 CA THR A 4 -14.860 6.773 -13.561 1.00 0.00 C ATOM 43 C THR A 4 -14.382 7.355 -12.203 1.00 0.00 C ATOM 44 O THR A 4 -13.347 8.033 -12.132 1.00 0.00 O ATOM 45 CB THR A 4 -16.253 7.293 -14.035 1.00 0.00 C ATOM 46 OG1 THR A 4 -16.763 6.421 -15.039 1.00 0.00 O ATOM 47 CG2 THR A 4 -16.332 8.736 -14.574 1.00 0.00 C ATOM 0 H THR A 4 -13.926 4.900 -13.834 1.00 0.00 H new ATOM 0 HA THR A 4 -14.156 7.141 -14.308 1.00 0.00 H new ATOM 0 HB THR A 4 -16.843 7.305 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.639 6.743 -15.338 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.358 8.960 -14.866 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.015 9.432 -13.798 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.678 8.837 -15.440 1.00 0.00 H new ATOM 55 N ASP A 5 -15.162 7.109 -11.135 1.00 0.00 N ATOM 56 CA ASP A 5 -14.851 7.600 -9.765 1.00 0.00 C ATOM 57 C ASP A 5 -13.668 6.782 -9.179 1.00 0.00 C ATOM 58 O ASP A 5 -12.907 7.288 -8.344 1.00 0.00 O ATOM 59 CB ASP A 5 -16.109 7.567 -8.848 1.00 0.00 C ATOM 60 CG ASP A 5 -16.383 6.237 -8.125 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.087 5.372 -8.693 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.889 6.053 -6.991 1.00 0.00 O ATOM 0 H ASP A 5 -16.024 6.567 -11.189 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.547 8.645 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.008 8.351 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.981 7.815 -9.453 1.00 0.00 H new ATOM 67 N GLN A 6 -13.546 5.509 -9.600 1.00 0.00 N ATOM 68 CA GLN A 6 -12.542 4.556 -9.055 1.00 0.00 C ATOM 69 C GLN A 6 -11.150 5.244 -9.039 1.00 0.00 C ATOM 70 O GLN A 6 -10.374 5.068 -8.090 1.00 0.00 O ATOM 71 CB GLN A 6 -12.543 3.241 -9.889 1.00 0.00 C ATOM 72 CG GLN A 6 -12.263 1.935 -9.107 1.00 0.00 C ATOM 73 CD GLN A 6 -10.782 1.707 -8.755 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.355 1.919 -7.621 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.973 1.269 -9.709 1.00 0.00 N ATOM 0 H GLN A 6 -14.137 5.106 -10.327 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.796 4.281 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.513 3.146 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.796 3.335 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.845 1.946 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.617 1.090 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.336 1.096 -10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.987 1.105 -9.506 1.00 0.00 H new ATOM 84 N GLN A 7 -10.847 6.015 -10.099 1.00 0.00 N ATOM 85 CA GLN A 7 -9.513 6.646 -10.291 1.00 0.00 C ATOM 86 C GLN A 7 -9.626 8.166 -9.995 1.00 0.00 C ATOM 87 O GLN A 7 -8.712 8.763 -9.410 1.00 0.00 O ATOM 88 CB GLN A 7 -8.988 6.429 -11.740 1.00 0.00 C ATOM 89 CG GLN A 7 -9.437 7.469 -12.791 1.00 0.00 C ATOM 90 CD GLN A 7 -10.511 6.923 -13.747 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.498 7.594 -14.047 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.345 5.708 -14.248 1.00 0.00 N ATOM 0 H GLN A 7 -11.510 6.222 -10.846 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.805 6.180 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.898 6.419 -11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.307 5.442 -12.076 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.825 8.350 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.571 7.791 -13.370 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.524 5.159 -13.994 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.038 5.321 -14.888 1.00 0.00 H new ATOM 101 N ALA A 8 -10.749 8.780 -10.409 1.00 0.00 N ATOM 102 CA ALA A 8 -11.005 10.232 -10.207 1.00 0.00 C ATOM 103 C ALA A 8 -10.670 10.642 -8.747 1.00 0.00 C ATOM 104 O ALA A 8 -10.237 11.772 -8.492 1.00 0.00 O ATOM 105 CB ALA A 8 -12.473 10.537 -10.565 1.00 0.00 C ATOM 0 H ALA A 8 -11.505 8.294 -10.891 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.360 10.819 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.670 11.599 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.656 10.273 -11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.133 9.955 -9.922 1.00 0.00 H new ATOM 111 N GLU A 9 -10.862 9.702 -7.802 1.00 0.00 N ATOM 112 CA GLU A 9 -10.679 9.953 -6.348 1.00 0.00 C ATOM 113 C GLU A 9 -9.191 10.303 -6.074 1.00 0.00 C ATOM 114 O GLU A 9 -8.885 11.327 -5.452 1.00 0.00 O ATOM 115 CB GLU A 9 -11.154 8.746 -5.489 1.00 0.00 C ATOM 116 CG GLU A 9 -10.672 7.347 -5.941 1.00 0.00 C ATOM 117 CD GLU A 9 -9.708 6.693 -4.948 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.178 6.047 -3.985 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.476 6.816 -5.128 1.00 0.00 O ATOM 0 H GLU A 9 -11.148 8.747 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.302 10.798 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.823 8.906 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.244 8.744 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.537 6.698 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.181 7.434 -6.910 1.00 0.00 H new ATOM 126 N ALA A 10 -8.279 9.420 -6.522 1.00 0.00 N ATOM 127 CA ALA A 10 -6.821 9.549 -6.251 1.00 0.00 C ATOM 128 C ALA A 10 -6.250 10.832 -6.916 1.00 0.00 C ATOM 129 O ALA A 10 -5.259 11.398 -6.439 1.00 0.00 O ATOM 130 CB ALA A 10 -6.106 8.278 -6.753 1.00 0.00 C ATOM 0 H ALA A 10 -8.522 8.600 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.651 9.646 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.037 8.362 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.502 7.407 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.273 8.166 -7.824 1.00 0.00 H new ATOM 136 N ARG A 11 -6.869 11.256 -8.033 1.00 0.00 N ATOM 137 CA ARG A 11 -6.387 12.397 -8.856 1.00 0.00 C ATOM 138 C ARG A 11 -6.583 13.701 -8.034 1.00 0.00 C ATOM 139 O ARG A 11 -5.696 14.562 -7.998 1.00 0.00 O ATOM 140 CB ARG A 11 -7.152 12.460 -10.208 1.00 0.00 C ATOM 141 CG ARG A 11 -6.928 11.249 -11.145 1.00 0.00 C ATOM 142 CD ARG A 11 -6.961 11.636 -12.635 1.00 0.00 C ATOM 143 NE ARG A 11 -7.773 12.856 -12.871 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.673 13.648 -13.958 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.514 13.818 -14.578 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.722 14.322 -14.411 1.00 0.00 N ATOM 0 H ARG A 11 -7.718 10.822 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.331 12.271 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.219 12.547 -10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.855 13.367 -10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.967 10.789 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.695 10.499 -10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.944 11.802 -12.990 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.370 10.809 -13.216 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.456 13.114 -12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.678 13.346 -14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.458 14.421 -15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.621 14.246 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.629 14.917 -15.234 1.00 0.00 H new ATOM 160 N ALA A 12 -7.766 13.834 -7.401 1.00 0.00 N ATOM 161 CA ALA A 12 -8.140 15.055 -6.639 1.00 0.00 C ATOM 162 C ALA A 12 -7.197 15.226 -5.416 1.00 0.00 C ATOM 163 O ALA A 12 -6.940 16.352 -4.971 1.00 0.00 O ATOM 164 CB ALA A 12 -9.618 14.962 -6.214 1.00 0.00 C ATOM 0 H ALA A 12 -8.485 13.111 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.025 15.937 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.893 15.857 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.247 14.880 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.761 14.083 -5.585 1.00 0.00 H new ATOM 170 N PHE A 13 -6.715 14.097 -4.865 1.00 0.00 N ATOM 171 CA PHE A 13 -5.829 14.093 -3.670 1.00 0.00 C ATOM 172 C PHE A 13 -4.419 14.608 -4.066 1.00 0.00 C ATOM 173 O PHE A 13 -3.843 15.464 -3.385 1.00 0.00 O ATOM 174 CB PHE A 13 -5.811 12.662 -3.058 1.00 0.00 C ATOM 175 CG PHE A 13 -4.832 12.463 -1.882 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.480 12.797 -2.020 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.286 11.931 -0.669 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.598 12.613 -0.957 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.402 11.746 0.391 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.060 12.090 0.248 1.00 0.00 C ATOM 0 H PHE A 13 -6.922 13.166 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.204 14.769 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.817 12.417 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.558 11.951 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.118 13.199 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.326 11.663 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.556 12.876 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.757 11.335 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.377 11.951 1.073 1.00 0.00 H new ATOM 190 N LEU A 14 -3.879 14.065 -5.174 1.00 0.00 N ATOM 191 CA LEU A 14 -2.496 14.356 -5.636 1.00 0.00 C ATOM 192 C LEU A 14 -2.547 15.618 -6.540 1.00 0.00 C ATOM 193 O LEU A 14 -3.629 16.078 -6.923 1.00 0.00 O ATOM 194 CB LEU A 14 -1.890 13.131 -6.384 1.00 0.00 C ATOM 195 CG LEU A 14 -1.991 11.743 -5.687 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.439 10.622 -6.590 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.277 11.715 -4.319 1.00 0.00 C ATOM 0 H LEU A 14 -4.382 13.414 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.845 14.548 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.377 13.056 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.836 13.338 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.052 11.567 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.524 9.665 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.011 10.587 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.392 10.820 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.378 10.724 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.220 11.946 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.728 12.455 -3.658 1.00 0.00 H new ATOM 209 N SER A 15 -1.361 16.145 -6.894 1.00 0.00 N ATOM 210 CA SER A 15 -1.231 17.375 -7.720 1.00 0.00 C ATOM 211 C SER A 15 -0.290 17.102 -8.925 1.00 0.00 C ATOM 212 O SER A 15 -0.159 15.958 -9.378 1.00 0.00 O ATOM 213 CB SER A 15 -0.732 18.539 -6.833 1.00 0.00 C ATOM 214 OG SER A 15 -1.301 19.780 -7.235 1.00 0.00 O ATOM 0 H SER A 15 -0.466 15.738 -6.621 1.00 0.00 H new ATOM 0 HA SER A 15 -2.200 17.663 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.987 18.340 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.355 18.601 -6.889 1.00 0.00 H new ATOM 0 HG SER A 15 -0.968 20.496 -6.655 1.00 0.00 H new ATOM 220 N GLU A 16 0.332 18.173 -9.453 1.00 0.00 N ATOM 221 CA GLU A 16 1.235 18.090 -10.632 1.00 0.00 C ATOM 222 C GLU A 16 2.653 17.684 -10.146 1.00 0.00 C ATOM 223 O GLU A 16 3.361 16.934 -10.829 1.00 0.00 O ATOM 224 CB GLU A 16 1.208 19.429 -11.425 1.00 0.00 C ATOM 225 CG GLU A 16 2.102 19.503 -12.686 1.00 0.00 C ATOM 226 CD GLU A 16 2.586 20.915 -13.029 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.632 21.343 -12.492 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.926 21.601 -13.840 1.00 0.00 O ATOM 0 H GLU A 16 0.228 19.117 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 16 0.897 17.324 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.179 19.627 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.504 20.232 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.969 18.859 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.547 19.105 -13.535 1.00 0.00 H new ATOM 235 N GLU A 17 3.045 18.196 -8.960 1.00 0.00 N ATOM 236 CA GLU A 17 4.412 17.994 -8.408 1.00 0.00 C ATOM 237 C GLU A 17 4.491 16.558 -7.821 1.00 0.00 C ATOM 238 O GLU A 17 5.495 15.858 -8.000 1.00 0.00 O ATOM 239 CB GLU A 17 4.770 19.105 -7.377 1.00 0.00 C ATOM 240 CG GLU A 17 3.586 19.921 -6.805 1.00 0.00 C ATOM 241 CD GLU A 17 3.943 20.771 -5.581 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.866 20.389 -4.828 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.300 21.822 -5.365 1.00 0.00 O ATOM 0 H GLU A 17 2.436 18.754 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 17 5.162 18.083 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.299 18.641 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.466 19.798 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.198 20.574 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.783 19.235 -6.535 1.00 0.00 H new ATOM 250 N MET A 18 3.434 16.148 -7.096 1.00 0.00 N ATOM 251 CA MET A 18 3.389 14.839 -6.392 1.00 0.00 C ATOM 252 C MET A 18 3.423 13.718 -7.467 1.00 0.00 C ATOM 253 O MET A 18 4.039 12.666 -7.260 1.00 0.00 O ATOM 254 CB MET A 18 2.143 14.732 -5.469 1.00 0.00 C ATOM 255 CG MET A 18 2.069 15.753 -4.318 1.00 0.00 C ATOM 256 SD MET A 18 0.432 15.709 -3.555 1.00 0.00 S ATOM 257 CE MET A 18 0.140 17.462 -3.243 1.00 0.00 C ATOM 0 H MET A 18 2.588 16.706 -6.978 1.00 0.00 H new ATOM 0 HA MET A 18 4.252 14.736 -5.734 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.249 14.841 -6.083 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.116 13.729 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.832 15.529 -3.573 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.276 16.754 -4.696 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.928 17.636 -3.115 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.668 17.763 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.504 18.047 -4.087 1.00 0.00 H new ATOM 267 N ILE A 19 2.752 13.961 -8.608 1.00 0.00 N ATOM 268 CA ILE A 19 2.589 12.954 -9.691 1.00 0.00 C ATOM 269 C ILE A 19 4.021 12.590 -10.169 1.00 0.00 C ATOM 270 O ILE A 19 4.290 11.435 -10.524 1.00 0.00 O ATOM 271 CB ILE A 19 1.621 13.460 -10.826 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.114 13.277 -10.458 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.916 12.799 -12.199 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.888 14.049 -11.333 1.00 0.00 C ATOM 0 H ILE A 19 2.306 14.856 -8.812 1.00 0.00 H new ATOM 0 HA ILE A 19 2.095 12.050 -9.335 1.00 0.00 H new ATOM 0 HB ILE A 19 1.819 14.528 -10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.127 12.215 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.027 13.583 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.220 13.183 -12.945 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.937 13.030 -12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.798 11.719 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.902 13.848 -10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.685 15.118 -11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.787 13.729 -12.370 1.00 0.00 H new ATOM 286 N ALA A 20 4.921 13.590 -10.204 1.00 0.00 N ATOM 287 CA ALA A 20 6.298 13.427 -10.745 1.00 0.00 C ATOM 288 C ALA A 20 7.020 12.243 -10.046 1.00 0.00 C ATOM 289 O ALA A 20 7.739 11.472 -10.694 1.00 0.00 O ATOM 290 CB ALA A 20 7.066 14.752 -10.566 1.00 0.00 C ATOM 0 H ALA A 20 4.724 14.531 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 20 6.255 13.191 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.077 14.643 -10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.551 15.547 -11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.114 15.004 -9.507 1.00 0.00 H new ATOM 296 N GLU A 21 6.841 12.133 -8.717 1.00 0.00 N ATOM 297 CA GLU A 21 7.551 11.126 -7.883 1.00 0.00 C ATOM 298 C GLU A 21 7.168 9.709 -8.388 1.00 0.00 C ATOM 299 O GLU A 21 7.998 8.793 -8.398 1.00 0.00 O ATOM 300 CB GLU A 21 7.237 11.358 -6.377 1.00 0.00 C ATOM 301 CG GLU A 21 7.409 12.803 -5.851 1.00 0.00 C ATOM 302 CD GLU A 21 7.700 12.895 -4.349 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.790 12.613 -3.538 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.839 13.249 -3.974 1.00 0.00 O ATOM 0 H GLU A 21 6.207 12.731 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 21 8.632 11.227 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.209 11.047 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.880 10.702 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.222 13.282 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.502 13.367 -6.069 1.00 0.00 H new ATOM 311 N PHE A 22 5.890 9.541 -8.777 1.00 0.00 N ATOM 312 CA PHE A 22 5.329 8.231 -9.200 1.00 0.00 C ATOM 313 C PHE A 22 5.771 7.936 -10.660 1.00 0.00 C ATOM 314 O PHE A 22 5.832 6.767 -11.066 1.00 0.00 O ATOM 315 CB PHE A 22 3.778 8.227 -9.045 1.00 0.00 C ATOM 316 CG PHE A 22 3.261 8.508 -7.618 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.257 9.812 -7.111 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.815 7.457 -6.808 1.00 0.00 C ATOM 319 CE1 PHE A 22 2.788 10.064 -5.824 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.346 7.711 -5.522 1.00 0.00 C ATOM 321 CZ PHE A 22 2.344 9.012 -5.026 1.00 0.00 C ATOM 0 H PHE A 22 5.214 10.304 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 22 5.713 7.437 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.359 8.974 -9.720 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.399 7.257 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.619 10.627 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.835 6.444 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.769 11.075 -5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.984 6.899 -4.909 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.998 9.206 -4.021 1.00 0.00 H new ATOM 331 N LYS A 23 6.043 8.995 -11.443 1.00 0.00 N ATOM 332 CA LYS A 23 6.409 8.883 -12.881 1.00 0.00 C ATOM 333 C LYS A 23 7.730 8.073 -12.978 1.00 0.00 C ATOM 334 O LYS A 23 7.800 7.058 -13.682 1.00 0.00 O ATOM 335 CB LYS A 23 6.563 10.284 -13.543 1.00 0.00 C ATOM 336 CG LYS A 23 5.274 10.968 -14.060 1.00 0.00 C ATOM 337 CD LYS A 23 5.417 11.671 -15.426 1.00 0.00 C ATOM 338 CE LYS A 23 5.794 10.698 -16.557 1.00 0.00 C ATOM 339 NZ LYS A 23 5.064 11.005 -17.800 1.00 0.00 N ATOM 0 H LYS A 23 6.017 9.957 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 23 5.614 8.371 -13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.032 10.950 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.254 10.188 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.486 10.218 -14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.948 11.701 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.478 12.166 -15.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.177 12.448 -15.352 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.867 10.751 -16.741 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.574 9.676 -16.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.342 10.330 -18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.041 10.930 -17.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.294 11.972 -18.108 1.00 0.00 H new ATOM 353 N ALA A 24 8.779 8.555 -12.285 1.00 0.00 N ATOM 354 CA ALA A 24 10.139 7.956 -12.350 1.00 0.00 C ATOM 355 C ALA A 24 10.052 6.419 -12.149 1.00 0.00 C ATOM 356 O ALA A 24 10.439 5.637 -13.026 1.00 0.00 O ATOM 357 CB ALA A 24 11.036 8.625 -11.290 1.00 0.00 C ATOM 0 H ALA A 24 8.716 9.364 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 24 10.581 8.131 -13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.035 8.191 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.097 9.695 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.611 8.463 -10.299 1.00 0.00 H new ATOM 363 N ALA A 25 9.547 6.002 -10.973 1.00 0.00 N ATOM 364 CA ALA A 25 9.438 4.569 -10.593 1.00 0.00 C ATOM 365 C ALA A 25 8.463 3.817 -11.543 1.00 0.00 C ATOM 366 O ALA A 25 8.576 2.596 -11.711 1.00 0.00 O ATOM 367 CB ALA A 25 8.985 4.475 -9.122 1.00 0.00 C ATOM 0 H ALA A 25 9.202 6.642 -10.257 1.00 0.00 H new ATOM 0 HA ALA A 25 10.411 4.087 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.902 3.427 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.717 4.970 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.016 4.961 -9.008 1.00 0.00 H new ATOM 373 N PHE A 26 7.498 4.554 -12.129 1.00 0.00 N ATOM 374 CA PHE A 26 6.427 3.952 -12.971 1.00 0.00 C ATOM 375 C PHE A 26 7.100 3.306 -14.214 1.00 0.00 C ATOM 376 O PHE A 26 6.744 2.193 -14.616 1.00 0.00 O ATOM 377 CB PHE A 26 5.348 5.003 -13.372 1.00 0.00 C ATOM 378 CG PHE A 26 4.276 4.484 -14.360 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.169 3.771 -13.887 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.415 4.702 -15.736 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.202 3.304 -14.775 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.448 4.232 -16.621 1.00 0.00 C ATOM 383 CZ PHE A 26 2.343 3.533 -16.140 1.00 0.00 C ATOM 0 H PHE A 26 7.432 5.568 -12.039 1.00 0.00 H new ATOM 0 HA PHE A 26 5.896 3.187 -12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.850 5.355 -12.469 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.847 5.864 -13.817 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.064 3.582 -12.829 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.275 5.236 -16.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.343 2.764 -14.404 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.555 4.409 -17.681 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.595 3.168 -16.828 1.00 0.00 H new ATOM 393 N ASP A 27 8.093 4.009 -14.790 1.00 0.00 N ATOM 394 CA ASP A 27 8.820 3.543 -16.000 1.00 0.00 C ATOM 395 C ASP A 27 9.664 2.293 -15.624 1.00 0.00 C ATOM 396 O ASP A 27 9.777 1.351 -16.417 1.00 0.00 O ATOM 397 CB ASP A 27 9.678 4.679 -16.629 1.00 0.00 C ATOM 398 CG ASP A 27 8.984 5.535 -17.702 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.752 5.732 -17.617 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.670 6.006 -18.636 1.00 0.00 O ATOM 0 H ASP A 27 8.417 4.910 -14.438 1.00 0.00 H new ATOM 0 HA ASP A 27 8.104 3.260 -16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.014 5.338 -15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.569 4.232 -17.070 1.00 0.00 H new ATOM 405 N MET A 28 10.264 2.316 -14.417 1.00 0.00 N ATOM 406 CA MET A 28 11.102 1.195 -13.910 1.00 0.00 C ATOM 407 C MET A 28 10.294 -0.118 -14.093 1.00 0.00 C ATOM 408 O MET A 28 10.755 -1.057 -14.752 1.00 0.00 O ATOM 409 CB MET A 28 11.538 1.416 -12.434 1.00 0.00 C ATOM 410 CG MET A 28 11.769 0.142 -11.600 1.00 0.00 C ATOM 411 SD MET A 28 11.911 0.565 -9.849 1.00 0.00 S ATOM 412 CE MET A 28 11.275 -0.935 -9.071 1.00 0.00 C ATOM 0 H MET A 28 10.187 3.099 -13.768 1.00 0.00 H new ATOM 0 HA MET A 28 12.031 1.138 -14.478 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.458 2.000 -12.431 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.777 2.018 -11.938 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.943 -0.554 -11.748 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.675 -0.362 -11.935 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.268 -0.808 -7.988 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.260 -1.124 -9.421 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.912 -1.779 -9.333 1.00 0.00 H new ATOM 422 N PHE A 29 9.091 -0.168 -13.488 1.00 0.00 N ATOM 423 CA PHE A 29 8.201 -1.359 -13.561 1.00 0.00 C ATOM 424 C PHE A 29 8.070 -1.783 -15.049 1.00 0.00 C ATOM 425 O PHE A 29 8.181 -2.970 -15.380 1.00 0.00 O ATOM 426 CB PHE A 29 6.816 -1.059 -12.915 1.00 0.00 C ATOM 427 CG PHE A 29 6.824 -0.905 -11.381 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.430 -1.878 -10.577 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.220 0.204 -10.775 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.431 -1.744 -9.191 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.222 0.335 -9.389 1.00 0.00 C ATOM 432 CZ PHE A 29 6.822 -0.640 -8.598 1.00 0.00 C ATOM 0 H PHE A 29 8.706 0.602 -12.940 1.00 0.00 H new ATOM 0 HA PHE A 29 8.632 -2.184 -12.994 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.420 -0.143 -13.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.129 -1.862 -13.179 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.899 -2.737 -11.034 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.751 0.961 -11.386 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.904 -2.495 -8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.758 1.194 -8.927 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.816 -0.541 -7.523 1.00 0.00 H new ATOM 442 N ASP A 30 7.839 -0.795 -15.934 1.00 0.00 N ATOM 443 CA ASP A 30 7.676 -1.033 -17.393 1.00 0.00 C ATOM 444 C ASP A 30 8.914 -1.815 -17.911 1.00 0.00 C ATOM 445 O ASP A 30 10.031 -1.633 -17.410 1.00 0.00 O ATOM 446 CB ASP A 30 7.437 0.295 -18.169 1.00 0.00 C ATOM 447 CG ASP A 30 6.687 0.171 -19.506 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.910 -0.794 -19.679 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.869 1.044 -20.384 1.00 0.00 O ATOM 0 H ASP A 30 7.759 0.186 -15.667 1.00 0.00 H new ATOM 0 HA ASP A 30 6.785 -1.636 -17.569 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.879 0.974 -17.524 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.404 0.760 -18.360 1.00 0.00 H new ATOM 454 N ALA A 31 8.703 -2.660 -18.938 1.00 0.00 N ATOM 455 CA ALA A 31 9.780 -3.484 -19.549 1.00 0.00 C ATOM 456 C ALA A 31 9.977 -3.085 -21.037 1.00 0.00 C ATOM 457 O ALA A 31 11.111 -2.969 -21.515 1.00 0.00 O ATOM 458 CB ALA A 31 9.422 -4.975 -19.395 1.00 0.00 C ATOM 0 H ALA A 31 7.789 -2.795 -19.370 1.00 0.00 H new ATOM 0 HA ALA A 31 10.726 -3.305 -19.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.207 -5.586 -19.841 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.329 -5.219 -18.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.476 -5.176 -19.898 1.00 0.00 H new ATOM 464 N ASP A 32 8.852 -2.880 -21.750 1.00 0.00 N ATOM 465 CA ASP A 32 8.857 -2.557 -23.203 1.00 0.00 C ATOM 466 C ASP A 32 9.067 -1.028 -23.370 1.00 0.00 C ATOM 467 O ASP A 32 10.184 -0.567 -23.634 1.00 0.00 O ATOM 468 CB ASP A 32 7.569 -3.066 -23.916 1.00 0.00 C ATOM 469 CG ASP A 32 6.378 -3.403 -23.002 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.381 -4.490 -22.382 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.435 -2.587 -22.909 1.00 0.00 O ATOM 0 H ASP A 32 7.917 -2.932 -21.345 1.00 0.00 H new ATOM 0 HA ASP A 32 9.680 -3.080 -23.690 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.249 -2.307 -24.630 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.824 -3.957 -24.490 1.00 0.00 H new ATOM 476 N GLY A 33 7.976 -0.252 -23.221 1.00 0.00 N ATOM 477 CA GLY A 33 8.012 1.228 -23.364 1.00 0.00 C ATOM 478 C GLY A 33 6.697 1.774 -23.981 1.00 0.00 C ATOM 479 O GLY A 33 6.717 2.545 -24.948 1.00 0.00 O ATOM 0 H GLY A 33 7.051 -0.622 -23.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.174 1.685 -22.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.856 1.513 -23.993 1.00 0.00 H new ATOM 483 N GLY A 34 5.552 1.385 -23.386 1.00 0.00 N ATOM 484 CA GLY A 34 4.220 1.901 -23.791 1.00 0.00 C ATOM 485 C GLY A 34 3.723 2.956 -22.771 1.00 0.00 C ATOM 486 O GLY A 34 4.501 3.777 -22.272 1.00 0.00 O ATOM 0 H GLY A 34 5.518 0.713 -22.620 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.281 2.345 -24.785 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.507 1.079 -23.852 1.00 0.00 H new ATOM 490 N GLY A 35 2.416 2.900 -22.444 1.00 0.00 N ATOM 491 CA GLY A 35 1.809 3.766 -21.403 1.00 0.00 C ATOM 492 C GLY A 35 0.975 2.913 -20.413 1.00 0.00 C ATOM 493 O GLY A 35 -0.083 3.347 -19.940 1.00 0.00 O ATOM 0 H GLY A 35 1.755 2.262 -22.886 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.591 4.301 -20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.173 4.518 -21.871 1.00 0.00 H new ATOM 497 N ASP A 36 1.486 1.710 -20.088 1.00 0.00 N ATOM 498 CA ASP A 36 0.814 0.756 -19.167 1.00 0.00 C ATOM 499 C ASP A 36 1.862 -0.277 -18.669 1.00 0.00 C ATOM 500 O ASP A 36 3.069 -0.093 -18.866 1.00 0.00 O ATOM 501 CB ASP A 36 -0.420 0.084 -19.836 1.00 0.00 C ATOM 502 CG ASP A 36 -0.685 0.464 -21.303 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.282 1.535 -21.551 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.291 -0.303 -22.209 1.00 0.00 O ATOM 0 H ASP A 36 2.375 1.367 -20.453 1.00 0.00 H new ATOM 0 HA ASP A 36 0.419 1.294 -18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.295 -0.997 -19.779 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.306 0.334 -19.252 1.00 0.00 H new ATOM 509 N ILE A 37 1.378 -1.370 -18.051 1.00 0.00 N ATOM 510 CA ILE A 37 2.235 -2.466 -17.523 1.00 0.00 C ATOM 511 C ILE A 37 1.575 -3.833 -17.855 1.00 0.00 C ATOM 512 O ILE A 37 0.600 -3.895 -18.615 1.00 0.00 O ATOM 513 CB ILE A 37 2.594 -2.319 -15.998 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.378 -0.896 -15.394 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.020 -2.853 -15.706 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.356 -0.485 -14.281 1.00 0.00 C ATOM 0 H ILE A 37 0.381 -1.525 -17.900 1.00 0.00 H new ATOM 0 HA ILE A 37 3.201 -2.404 -18.024 1.00 0.00 H new ATOM 0 HB ILE A 37 1.866 -2.943 -15.480 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.447 -0.166 -16.200 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.364 -0.840 -14.999 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.241 -2.739 -14.645 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.076 -3.907 -15.977 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.747 -2.289 -16.291 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.113 0.520 -13.936 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.275 -1.184 -13.449 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.375 -0.499 -14.668 1.00 0.00 H new ATOM 528 N SER A 38 2.134 -4.925 -17.302 1.00 0.00 N ATOM 529 CA SER A 38 1.632 -6.304 -17.547 1.00 0.00 C ATOM 530 C SER A 38 2.063 -7.236 -16.382 1.00 0.00 C ATOM 531 O SER A 38 2.570 -6.771 -15.355 1.00 0.00 O ATOM 532 CB SER A 38 2.143 -6.801 -18.919 1.00 0.00 C ATOM 533 OG SER A 38 3.357 -7.534 -18.788 1.00 0.00 O ATOM 0 H SER A 38 2.939 -4.886 -16.677 1.00 0.00 H new ATOM 0 HA SER A 38 0.542 -6.310 -17.579 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.385 -7.431 -19.385 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.300 -5.949 -19.580 1.00 0.00 H new ATOM 0 HG SER A 38 3.654 -7.836 -19.672 1.00 0.00 H new ATOM 539 N THR A 39 1.824 -8.550 -16.555 1.00 0.00 N ATOM 540 CA THR A 39 2.169 -9.586 -15.545 1.00 0.00 C ATOM 541 C THR A 39 3.653 -9.999 -15.739 1.00 0.00 C ATOM 542 O THR A 39 4.366 -10.269 -14.764 1.00 0.00 O ATOM 543 CB THR A 39 1.193 -10.804 -15.597 1.00 0.00 C ATOM 544 OG1 THR A 39 0.920 -11.172 -16.947 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.154 -10.597 -14.880 1.00 0.00 C ATOM 0 H THR A 39 1.387 -8.929 -17.395 1.00 0.00 H new ATOM 0 HA THR A 39 2.051 -9.169 -14.545 1.00 0.00 H new ATOM 0 HB THR A 39 1.722 -11.591 -15.060 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.308 -11.938 -16.960 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.759 -11.499 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.024 -10.387 -13.825 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.682 -9.758 -15.333 1.00 0.00 H new ATOM 553 N LYS A 40 4.106 -10.045 -17.006 1.00 0.00 N ATOM 554 CA LYS A 40 5.502 -10.423 -17.354 1.00 0.00 C ATOM 555 C LYS A 40 6.461 -9.319 -16.831 1.00 0.00 C ATOM 556 O LYS A 40 7.576 -9.611 -16.384 1.00 0.00 O ATOM 557 CB LYS A 40 5.601 -10.666 -18.889 1.00 0.00 C ATOM 558 CG LYS A 40 6.990 -11.079 -19.438 1.00 0.00 C ATOM 559 CD LYS A 40 7.292 -10.868 -20.942 1.00 0.00 C ATOM 560 CE LYS A 40 6.687 -9.612 -21.603 1.00 0.00 C ATOM 561 NZ LYS A 40 7.661 -8.528 -21.824 1.00 0.00 N ATOM 0 H LYS A 40 3.526 -9.825 -17.816 1.00 0.00 H new ATOM 0 HA LYS A 40 5.799 -11.356 -16.875 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.884 -11.442 -19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.290 -9.754 -19.399 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.744 -10.534 -18.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.130 -12.138 -19.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.374 -10.831 -21.069 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.936 -11.743 -21.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.247 -9.893 -22.560 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.877 -9.238 -20.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.184 -7.719 -22.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.064 -8.233 -20.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.423 -8.867 -22.446 1.00 0.00 H new ATOM 575 N GLU A 41 6.013 -8.052 -16.912 1.00 0.00 N ATOM 576 CA GLU A 41 6.845 -6.872 -16.558 1.00 0.00 C ATOM 577 C GLU A 41 6.941 -6.765 -15.012 1.00 0.00 C ATOM 578 O GLU A 41 8.041 -6.745 -14.447 1.00 0.00 O ATOM 579 CB GLU A 41 6.291 -5.575 -17.216 1.00 0.00 C ATOM 580 CG GLU A 41 5.980 -5.613 -18.733 1.00 0.00 C ATOM 581 CD GLU A 41 5.191 -4.403 -19.243 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.344 -3.298 -18.676 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.417 -4.551 -20.215 1.00 0.00 O ATOM 0 H GLU A 41 5.071 -7.812 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 41 7.853 -7.000 -16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.376 -5.298 -16.693 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.012 -4.776 -17.041 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.919 -5.679 -19.283 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.417 -6.519 -18.954 1.00 0.00 H new ATOM 590 N LEU A 42 5.775 -6.667 -14.347 1.00 0.00 N ATOM 591 CA LEU A 42 5.692 -6.449 -12.878 1.00 0.00 C ATOM 592 C LEU A 42 6.431 -7.620 -12.176 1.00 0.00 C ATOM 593 O LEU A 42 7.088 -7.430 -11.146 1.00 0.00 O ATOM 594 CB LEU A 42 4.208 -6.338 -12.415 1.00 0.00 C ATOM 595 CG LEU A 42 3.943 -6.186 -10.889 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.678 -4.714 -10.513 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.778 -7.070 -10.399 1.00 0.00 C ATOM 0 H LEU A 42 4.865 -6.735 -14.803 1.00 0.00 H new ATOM 0 HA LEU A 42 6.169 -5.507 -12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.760 -5.483 -12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.680 -7.226 -12.762 1.00 0.00 H new ATOM 0 HG LEU A 42 4.849 -6.526 -10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.496 -4.639 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.546 -4.109 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.805 -4.352 -11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.637 -6.925 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.865 -6.794 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.008 -8.117 -10.596 1.00 0.00 H new ATOM 609 N GLY A 43 6.286 -8.837 -12.734 1.00 0.00 N ATOM 610 CA GLY A 43 6.834 -10.076 -12.127 1.00 0.00 C ATOM 611 C GLY A 43 8.381 -9.997 -12.044 1.00 0.00 C ATOM 612 O GLY A 43 8.990 -10.518 -11.100 1.00 0.00 O ATOM 0 H GLY A 43 5.790 -8.994 -13.612 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.416 -10.216 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.539 -10.941 -12.721 1.00 0.00 H new ATOM 616 N THR A 44 8.999 -9.342 -13.043 1.00 0.00 N ATOM 617 CA THR A 44 10.478 -9.266 -13.178 1.00 0.00 C ATOM 618 C THR A 44 11.029 -8.294 -12.098 1.00 0.00 C ATOM 619 O THR A 44 11.972 -8.630 -11.371 1.00 0.00 O ATOM 620 CB THR A 44 10.917 -8.872 -14.623 1.00 0.00 C ATOM 621 OG1 THR A 44 11.056 -10.031 -15.441 1.00 0.00 O ATOM 622 CG2 THR A 44 12.226 -8.066 -14.715 1.00 0.00 C ATOM 0 H THR A 44 8.496 -8.850 -13.781 1.00 0.00 H new ATOM 0 HA THR A 44 10.907 -10.254 -13.011 1.00 0.00 H new ATOM 0 HB THR A 44 10.117 -8.221 -14.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.330 -9.764 -16.343 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.443 -7.842 -15.760 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.120 -7.135 -14.159 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.043 -8.650 -14.292 1.00 0.00 H new ATOM 630 N VAL A 45 10.436 -7.087 -12.025 1.00 0.00 N ATOM 631 CA VAL A 45 10.905 -5.999 -11.125 1.00 0.00 C ATOM 632 C VAL A 45 10.982 -6.584 -9.688 1.00 0.00 C ATOM 633 O VAL A 45 11.912 -6.278 -8.932 1.00 0.00 O ATOM 634 CB VAL A 45 10.009 -4.715 -11.239 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.474 -4.231 -9.869 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.701 -3.516 -11.934 1.00 0.00 C ATOM 0 H VAL A 45 9.621 -6.833 -12.583 1.00 0.00 H new ATOM 0 HA VAL A 45 11.897 -5.655 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 45 9.181 -5.046 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.862 -3.341 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.871 -5.018 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.312 -3.994 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.014 -2.671 -11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.592 -3.235 -11.372 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.985 -3.798 -12.948 1.00 0.00 H new ATOM 646 N MET A 46 9.991 -7.421 -9.325 1.00 0.00 N ATOM 647 CA MET A 46 9.873 -7.999 -7.960 1.00 0.00 C ATOM 648 C MET A 46 11.019 -9.031 -7.779 1.00 0.00 C ATOM 649 O MET A 46 11.577 -9.171 -6.685 1.00 0.00 O ATOM 650 CB MET A 46 8.470 -8.629 -7.729 1.00 0.00 C ATOM 651 CG MET A 46 7.290 -7.640 -7.680 1.00 0.00 C ATOM 652 SD MET A 46 5.952 -8.322 -6.674 1.00 0.00 S ATOM 653 CE MET A 46 4.949 -6.851 -6.378 1.00 0.00 C ATOM 0 H MET A 46 9.251 -7.718 -9.961 1.00 0.00 H new ATOM 0 HA MET A 46 9.971 -7.215 -7.209 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.282 -9.351 -8.524 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.492 -9.185 -6.792 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.620 -6.688 -7.264 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.931 -7.439 -8.689 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.085 -7.116 -5.769 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.545 -6.103 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.610 -6.444 -7.331 1.00 0.00 H new ATOM 663 N ARG A 47 11.341 -9.759 -8.865 1.00 0.00 N ATOM 664 CA ARG A 47 12.468 -10.728 -8.896 1.00 0.00 C ATOM 665 C ARG A 47 13.718 -10.083 -8.237 1.00 0.00 C ATOM 666 O ARG A 47 14.569 -10.786 -7.679 1.00 0.00 O ATOM 667 CB ARG A 47 12.767 -11.169 -10.357 1.00 0.00 C ATOM 668 CG ARG A 47 13.118 -12.665 -10.525 1.00 0.00 C ATOM 669 CD ARG A 47 14.323 -13.105 -9.671 1.00 0.00 C ATOM 670 NE ARG A 47 15.528 -13.372 -10.498 1.00 0.00 N ATOM 671 CZ ARG A 47 16.797 -13.377 -10.037 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.132 -13.145 -8.769 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.767 -13.628 -10.897 1.00 0.00 N ATOM 0 H ARG A 47 10.832 -9.697 -9.747 1.00 0.00 H new ATOM 0 HA ARG A 47 12.196 -11.621 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.898 -10.943 -10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.594 -10.571 -10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.251 -13.268 -10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.332 -12.866 -11.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.551 -12.329 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.061 -14.003 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 47 15.386 -13.566 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.408 -12.948 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.113 -13.164 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.546 -13.810 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.737 -13.640 -10.582 1.00 0.00 H new ATOM 687 N MET A 48 13.827 -8.745 -8.340 1.00 0.00 N ATOM 688 CA MET A 48 14.949 -7.967 -7.752 1.00 0.00 C ATOM 689 C MET A 48 14.579 -7.631 -6.281 1.00 0.00 C ATOM 690 O MET A 48 14.220 -6.490 -5.965 1.00 0.00 O ATOM 691 CB MET A 48 15.254 -6.691 -8.587 1.00 0.00 C ATOM 692 CG MET A 48 16.288 -6.858 -9.717 1.00 0.00 C ATOM 693 SD MET A 48 17.427 -5.456 -9.726 1.00 0.00 S ATOM 694 CE MET A 48 16.467 -4.227 -10.634 1.00 0.00 C ATOM 0 H MET A 48 13.144 -8.168 -8.831 1.00 0.00 H new ATOM 0 HA MET A 48 15.865 -8.557 -7.769 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.321 -6.335 -9.024 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.607 -5.913 -7.910 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.842 -7.786 -9.579 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.780 -6.930 -10.678 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.043 -3.306 -10.719 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.240 -4.606 -11.630 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.537 -4.026 -10.102 1.00 0.00 H new ATOM 704 N LEU A 49 14.701 -8.632 -5.390 1.00 0.00 N ATOM 705 CA LEU A 49 14.494 -8.453 -3.928 1.00 0.00 C ATOM 706 C LEU A 49 15.291 -9.564 -3.192 1.00 0.00 C ATOM 707 O LEU A 49 16.358 -9.314 -2.621 1.00 0.00 O ATOM 708 CB LEU A 49 12.978 -8.493 -3.570 1.00 0.00 C ATOM 709 CG LEU A 49 12.592 -8.336 -2.070 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.638 -7.143 -1.861 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.966 -9.618 -1.483 1.00 0.00 C ATOM 0 H LEU A 49 14.945 -9.587 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 49 14.858 -7.475 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.478 -7.703 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.573 -9.441 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 49 13.522 -8.147 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.386 -7.059 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.125 -6.226 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.727 -7.300 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.716 -9.454 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.061 -9.868 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.678 -10.439 -1.561 1.00 0.00 H new ATOM 723 N GLY A 50 14.755 -10.801 -3.221 1.00 0.00 N ATOM 724 CA GLY A 50 15.390 -11.967 -2.558 1.00 0.00 C ATOM 725 C GLY A 50 14.724 -13.284 -3.037 1.00 0.00 C ATOM 726 O GLY A 50 15.413 -14.274 -3.317 1.00 0.00 O ATOM 0 H GLY A 50 13.881 -11.023 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.456 -11.987 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.295 -11.876 -1.476 1.00 0.00 H new ATOM 730 N GLN A 51 13.383 -13.265 -3.153 1.00 0.00 N ATOM 731 CA GLN A 51 12.578 -14.445 -3.564 1.00 0.00 C ATOM 732 C GLN A 51 12.596 -14.530 -5.115 1.00 0.00 C ATOM 733 O GLN A 51 13.316 -13.776 -5.781 1.00 0.00 O ATOM 734 CB GLN A 51 11.137 -14.343 -2.988 1.00 0.00 C ATOM 735 CG GLN A 51 10.068 -13.730 -3.926 1.00 0.00 C ATOM 736 CD GLN A 51 8.765 -13.313 -3.222 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.997 -14.151 -2.750 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.486 -12.020 -3.138 1.00 0.00 N ATOM 0 H GLN A 51 12.821 -12.434 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 51 13.005 -15.364 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.810 -15.343 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.174 -13.748 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.494 -12.857 -4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.829 -14.453 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.129 -11.333 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.629 -11.712 -2.679 1.00 0.00 H new ATOM 747 N ASN A 52 11.784 -15.447 -5.673 1.00 0.00 N ATOM 748 CA ASN A 52 11.680 -15.653 -7.142 1.00 0.00 C ATOM 749 C ASN A 52 10.280 -16.261 -7.515 1.00 0.00 C ATOM 750 O ASN A 52 10.136 -17.485 -7.417 1.00 0.00 O ATOM 751 CB ASN A 52 12.858 -16.557 -7.602 1.00 0.00 C ATOM 752 CG ASN A 52 13.296 -16.357 -9.068 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.503 -15.961 -9.922 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.555 -16.619 -9.388 1.00 0.00 N ATOM 0 H ASN A 52 11.183 -16.065 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 52 11.753 -14.699 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.714 -16.371 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.573 -17.600 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.874 -16.493 -10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.205 -16.947 -8.674 1.00 0.00 H new ATOM 761 N PRO A 53 9.226 -15.473 -7.894 1.00 0.00 N ATOM 762 CA PRO A 53 7.874 -16.010 -8.192 1.00 0.00 C ATOM 763 C PRO A 53 7.800 -16.665 -9.598 1.00 0.00 C ATOM 764 O PRO A 53 8.814 -16.781 -10.298 1.00 0.00 O ATOM 765 CB PRO A 53 6.987 -14.758 -8.031 1.00 0.00 C ATOM 766 CG PRO A 53 7.881 -13.562 -8.364 1.00 0.00 C ATOM 767 CD PRO A 53 9.283 -13.992 -7.935 1.00 0.00 C ATOM 0 HA PRO A 53 7.561 -16.826 -7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.127 -14.800 -8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.598 -14.683 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.847 -13.327 -9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.561 -12.668 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.037 -13.644 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.543 -13.579 -6.961 1.00 0.00 H new ATOM 775 N THR A 54 6.586 -17.085 -10.001 1.00 0.00 N ATOM 776 CA THR A 54 6.334 -17.733 -11.316 1.00 0.00 C ATOM 777 C THR A 54 5.255 -16.913 -12.077 1.00 0.00 C ATOM 778 O THR A 54 4.540 -16.102 -11.478 1.00 0.00 O ATOM 779 CB THR A 54 5.950 -19.239 -11.164 1.00 0.00 C ATOM 780 OG1 THR A 54 5.675 -19.819 -12.437 1.00 0.00 O ATOM 781 CG2 THR A 54 4.748 -19.520 -10.244 1.00 0.00 C ATOM 0 H THR A 54 5.747 -16.988 -9.429 1.00 0.00 H new ATOM 0 HA THR A 54 7.253 -17.732 -11.902 1.00 0.00 H new ATOM 0 HB THR A 54 6.824 -19.689 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.438 -20.763 -12.322 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.563 -20.593 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.964 -19.153 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.865 -19.013 -10.634 1.00 0.00 H new ATOM 789 N LYS A 55 5.176 -17.119 -13.405 1.00 0.00 N ATOM 790 CA LYS A 55 4.277 -16.341 -14.298 1.00 0.00 C ATOM 791 C LYS A 55 2.811 -16.703 -13.937 1.00 0.00 C ATOM 792 O LYS A 55 1.927 -15.838 -13.936 1.00 0.00 O ATOM 793 CB LYS A 55 4.616 -16.627 -15.792 1.00 0.00 C ATOM 794 CG LYS A 55 3.433 -16.665 -16.790 1.00 0.00 C ATOM 795 CD LYS A 55 3.000 -18.079 -17.243 1.00 0.00 C ATOM 796 CE LYS A 55 1.790 -18.656 -16.483 1.00 0.00 C ATOM 797 NZ LYS A 55 0.559 -18.705 -17.296 1.00 0.00 N ATOM 0 H LYS A 55 5.728 -17.824 -13.894 1.00 0.00 H new ATOM 0 HA LYS A 55 4.416 -15.269 -14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.320 -15.866 -16.131 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.133 -17.585 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.577 -16.169 -16.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.704 -16.085 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.763 -18.048 -18.306 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.844 -18.758 -17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.031 -19.662 -16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.606 -18.052 -15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.271 -18.702 -16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.523 -17.875 -17.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.557 -19.572 -17.870 1.00 0.00 H new ATOM 811 N GLU A 56 2.580 -17.987 -13.603 1.00 0.00 N ATOM 812 CA GLU A 56 1.225 -18.513 -13.288 1.00 0.00 C ATOM 813 C GLU A 56 0.741 -17.860 -11.966 1.00 0.00 C ATOM 814 O GLU A 56 -0.432 -17.493 -11.834 1.00 0.00 O ATOM 815 CB GLU A 56 1.246 -20.069 -13.244 1.00 0.00 C ATOM 816 CG GLU A 56 0.417 -20.802 -14.325 1.00 0.00 C ATOM 817 CD GLU A 56 -1.024 -21.112 -13.907 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.340 -21.008 -12.702 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.846 -21.461 -14.783 1.00 0.00 O ATOM 0 H GLU A 56 3.317 -18.689 -13.542 1.00 0.00 H new ATOM 0 HA GLU A 56 0.510 -18.250 -14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.282 -20.399 -13.327 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.887 -20.387 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.398 -20.192 -15.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.918 -21.736 -14.581 1.00 0.00 H new ATOM 826 N GLU A 57 1.663 -17.728 -10.994 1.00 0.00 N ATOM 827 CA GLU A 57 1.362 -17.139 -9.662 1.00 0.00 C ATOM 828 C GLU A 57 1.004 -15.638 -9.843 1.00 0.00 C ATOM 829 O GLU A 57 0.171 -15.094 -9.108 1.00 0.00 O ATOM 830 CB GLU A 57 2.539 -17.360 -8.669 1.00 0.00 C ATOM 831 CG GLU A 57 2.373 -16.825 -7.224 1.00 0.00 C ATOM 832 CD GLU A 57 3.625 -16.147 -6.658 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.020 -15.078 -7.174 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.220 -16.682 -5.696 1.00 0.00 O ATOM 0 H GLU A 57 2.634 -18.023 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 57 0.503 -17.644 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.731 -18.431 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.430 -16.900 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.548 -16.113 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.095 -17.653 -6.572 1.00 0.00 H new ATOM 841 N LEU A 58 1.667 -14.977 -10.810 1.00 0.00 N ATOM 842 CA LEU A 58 1.516 -13.517 -11.045 1.00 0.00 C ATOM 843 C LEU A 58 0.064 -13.231 -11.516 1.00 0.00 C ATOM 844 O LEU A 58 -0.512 -12.187 -11.187 1.00 0.00 O ATOM 845 CB LEU A 58 2.608 -13.059 -12.055 1.00 0.00 C ATOM 846 CG LEU A 58 3.938 -12.525 -11.451 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.149 -13.167 -12.156 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.055 -10.987 -11.510 1.00 0.00 C ATOM 0 H LEU A 58 2.320 -15.430 -11.450 1.00 0.00 H new ATOM 0 HA LEU A 58 1.667 -12.939 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.844 -13.901 -12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.183 -12.278 -12.685 1.00 0.00 H new ATOM 0 HG LEU A 58 3.930 -12.807 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.070 -12.781 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.113 -14.249 -12.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.122 -12.925 -13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.005 -10.677 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.009 -10.658 -12.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.235 -10.538 -10.950 1.00 0.00 H new ATOM 860 N ASP A 59 -0.496 -14.161 -12.312 1.00 0.00 N ATOM 861 CA ASP A 59 -1.888 -14.062 -12.826 1.00 0.00 C ATOM 862 C ASP A 59 -2.841 -13.786 -11.631 1.00 0.00 C ATOM 863 O ASP A 59 -3.826 -13.050 -11.766 1.00 0.00 O ATOM 864 CB ASP A 59 -2.293 -15.329 -13.635 1.00 0.00 C ATOM 865 CG ASP A 59 -3.743 -15.370 -14.146 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.199 -14.376 -14.752 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.428 -16.397 -13.943 1.00 0.00 O ATOM 0 H ASP A 59 -0.005 -15.000 -12.619 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.962 -13.232 -13.529 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.625 -15.417 -14.492 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.125 -16.205 -13.008 1.00 0.00 H new ATOM 872 N ALA A 60 -2.547 -14.408 -10.475 1.00 0.00 N ATOM 873 CA ALA A 60 -3.388 -14.292 -9.254 1.00 0.00 C ATOM 874 C ALA A 60 -3.167 -12.905 -8.588 1.00 0.00 C ATOM 875 O ALA A 60 -4.111 -12.298 -8.070 1.00 0.00 O ATOM 876 CB ALA A 60 -3.051 -15.451 -8.296 1.00 0.00 C ATOM 0 H ALA A 60 -1.727 -15.003 -10.354 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.444 -14.363 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.665 -15.371 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.252 -16.402 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.997 -15.401 -8.021 1.00 0.00 H new ATOM 882 N ILE A 61 -1.904 -12.442 -8.590 1.00 0.00 N ATOM 883 CA ILE A 61 -1.524 -11.107 -8.056 1.00 0.00 C ATOM 884 C ILE A 61 -2.510 -10.088 -8.693 1.00 0.00 C ATOM 885 O ILE A 61 -2.976 -9.160 -8.020 1.00 0.00 O ATOM 886 CB ILE A 61 0.000 -10.790 -8.291 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.881 -11.100 -7.039 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.240 -9.329 -8.760 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.755 -9.941 -6.530 1.00 0.00 C ATOM 0 H ILE A 61 -1.116 -12.975 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.616 -11.059 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 61 0.309 -11.459 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.226 -11.419 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.530 -11.943 -7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.307 -9.165 -8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.286 -9.157 -9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.133 -8.638 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.323 -10.269 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.443 -9.632 -7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.119 -9.100 -6.253 1.00 0.00 H new ATOM 901 N ILE A 62 -2.813 -10.276 -9.991 1.00 0.00 N ATOM 902 CA ILE A 62 -3.650 -9.337 -10.786 1.00 0.00 C ATOM 903 C ILE A 62 -5.109 -9.525 -10.284 1.00 0.00 C ATOM 904 O ILE A 62 -5.848 -8.544 -10.127 1.00 0.00 O ATOM 905 CB ILE A 62 -3.451 -9.538 -12.335 1.00 0.00 C ATOM 906 CG1 ILE A 62 -2.002 -9.195 -12.807 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.486 -8.742 -13.177 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.894 -8.405 -14.121 1.00 0.00 C ATOM 0 H ILE A 62 -2.488 -11.082 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.355 -8.298 -10.637 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.618 -10.601 -12.508 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.510 -8.623 -12.020 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.447 -10.126 -12.919 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.303 -8.916 -14.237 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.493 -9.073 -12.923 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.389 -7.678 -12.962 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.844 -8.223 -14.351 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.349 -8.979 -14.929 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.413 -7.452 -14.016 1.00 0.00 H new ATOM 920 N GLU A 63 -5.511 -10.790 -10.060 1.00 0.00 N ATOM 921 CA GLU A 63 -6.877 -11.133 -9.579 1.00 0.00 C ATOM 922 C GLU A 63 -7.206 -10.228 -8.360 1.00 0.00 C ATOM 923 O GLU A 63 -8.364 -9.848 -8.149 1.00 0.00 O ATOM 924 CB GLU A 63 -6.983 -12.654 -9.270 1.00 0.00 C ATOM 925 CG GLU A 63 -8.396 -13.279 -9.355 1.00 0.00 C ATOM 926 CD GLU A 63 -8.830 -13.657 -10.775 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.376 -13.004 -11.741 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.629 -14.607 -10.931 1.00 0.00 O ATOM 0 H GLU A 63 -4.910 -11.602 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.623 -10.941 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.331 -13.189 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.594 -12.826 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.425 -14.171 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.118 -12.575 -8.941 1.00 0.00 H new ATOM 935 N GLU A 64 -6.169 -9.892 -7.570 1.00 0.00 N ATOM 936 CA GLU A 64 -6.307 -9.019 -6.375 1.00 0.00 C ATOM 937 C GLU A 64 -6.488 -7.553 -6.858 1.00 0.00 C ATOM 938 O GLU A 64 -7.389 -6.843 -6.397 1.00 0.00 O ATOM 939 CB GLU A 64 -5.096 -9.215 -5.418 1.00 0.00 C ATOM 940 CG GLU A 64 -4.743 -8.023 -4.497 1.00 0.00 C ATOM 941 CD GLU A 64 -5.315 -8.135 -3.080 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.699 -8.815 -2.230 1.00 0.00 O ATOM 943 OE2 GLU A 64 -6.383 -7.541 -2.810 1.00 0.00 O ATOM 0 H GLU A 64 -5.215 -10.213 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.188 -9.287 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.294 -10.084 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.219 -9.451 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.658 -7.936 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.110 -7.104 -4.954 1.00 0.00 H new ATOM 950 N VAL A 65 -5.613 -7.118 -7.784 1.00 0.00 N ATOM 951 CA VAL A 65 -5.578 -5.714 -8.277 1.00 0.00 C ATOM 952 C VAL A 65 -6.224 -5.701 -9.689 1.00 0.00 C ATOM 953 O VAL A 65 -5.541 -5.923 -10.697 1.00 0.00 O ATOM 954 CB VAL A 65 -4.126 -5.116 -8.239 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.996 -3.806 -9.053 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.586 -4.850 -6.812 1.00 0.00 C ATOM 0 H VAL A 65 -4.911 -7.720 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.152 -5.058 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.521 -5.900 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.972 -3.439 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.249 -3.999 -10.095 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.675 -3.056 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.579 -4.438 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.237 -4.140 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.561 -5.785 -6.252 1.00 0.00 H new ATOM 966 N ASP A 66 -7.543 -5.437 -9.747 1.00 0.00 N ATOM 967 CA ASP A 66 -8.304 -5.389 -11.025 1.00 0.00 C ATOM 968 C ASP A 66 -9.819 -5.297 -10.697 1.00 0.00 C ATOM 969 O ASP A 66 -10.570 -6.259 -10.891 1.00 0.00 O ATOM 970 CB ASP A 66 -7.962 -6.597 -11.945 1.00 0.00 C ATOM 971 CG ASP A 66 -7.273 -6.258 -13.278 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.317 -5.082 -13.702 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.687 -7.169 -13.904 1.00 0.00 O ATOM 0 H ASP A 66 -8.113 -5.252 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.015 -4.504 -11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.319 -7.280 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.885 -7.135 -12.163 1.00 0.00 H new ATOM 978 N GLU A 67 -10.247 -4.119 -10.203 1.00 0.00 N ATOM 979 CA GLU A 67 -11.670 -3.836 -9.877 1.00 0.00 C ATOM 980 C GLU A 67 -12.430 -3.534 -11.197 1.00 0.00 C ATOM 981 O GLU A 67 -13.632 -3.804 -11.308 1.00 0.00 O ATOM 982 CB GLU A 67 -11.766 -2.690 -8.828 1.00 0.00 C ATOM 983 CG GLU A 67 -12.798 -2.880 -7.691 1.00 0.00 C ATOM 984 CD GLU A 67 -12.888 -4.313 -7.157 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.122 -4.663 -6.232 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.722 -5.096 -7.662 1.00 0.00 O ATOM 0 H GLU A 67 -9.622 -3.334 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.144 -4.702 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.783 -2.557 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.004 -1.765 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.542 -2.213 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.780 -2.577 -8.053 1.00 0.00 H new ATOM 993 N ASP A 68 -11.721 -2.946 -12.181 1.00 0.00 N ATOM 994 CA ASP A 68 -12.305 -2.597 -13.505 1.00 0.00 C ATOM 995 C ASP A 68 -12.317 -3.869 -14.394 1.00 0.00 C ATOM 996 O ASP A 68 -13.209 -4.054 -15.232 1.00 0.00 O ATOM 997 CB ASP A 68 -11.559 -1.406 -14.177 1.00 0.00 C ATOM 998 CG ASP A 68 -10.112 -1.681 -14.622 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.382 -2.397 -13.902 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.706 -1.186 -15.697 1.00 0.00 O ATOM 0 H ASP A 68 -10.736 -2.699 -12.089 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.330 -2.253 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.132 -1.089 -15.048 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.551 -0.568 -13.480 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.330 -4.764 -14.180 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.233 -6.044 -14.926 1.00 0.00 C ATOM 1007 C GLY A 69 -10.642 -5.801 -16.338 1.00 0.00 C ATOM 1008 O GLY A 69 -11.102 -6.388 -17.326 1.00 0.00 O ATOM 0 H GLY A 69 -10.586 -4.627 -13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.605 -6.746 -14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.220 -6.499 -15.011 1.00 0.00 H new ATOM 1012 N SER A 70 -9.617 -4.930 -16.413 1.00 0.00 N ATOM 1013 CA SER A 70 -8.876 -4.645 -17.670 1.00 0.00 C ATOM 1014 C SER A 70 -7.841 -5.771 -17.936 1.00 0.00 C ATOM 1015 O SER A 70 -7.749 -6.306 -19.048 1.00 0.00 O ATOM 1016 CB SER A 70 -8.217 -3.250 -17.574 1.00 0.00 C ATOM 1017 OG SER A 70 -7.423 -3.129 -16.398 1.00 0.00 O ATOM 0 H SER A 70 -9.276 -4.402 -15.610 1.00 0.00 H new ATOM 0 HA SER A 70 -9.561 -4.628 -18.518 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.596 -3.078 -18.453 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.989 -2.481 -17.574 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.081 -6.146 -16.887 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.072 -7.231 -16.975 1.00 0.00 C ATOM 1025 C GLY A 71 -4.650 -6.666 -16.721 1.00 0.00 C ATOM 1026 O GLY A 71 -3.782 -7.360 -16.175 1.00 0.00 O ATOM 0 H GLY A 71 -7.144 -5.714 -15.965 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.298 -8.007 -16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.115 -7.698 -17.959 1.00 0.00 H new ATOM 1030 N THR A 72 -4.432 -5.400 -17.126 1.00 0.00 N ATOM 1031 CA THR A 72 -3.125 -4.707 -16.985 1.00 0.00 C ATOM 1032 C THR A 72 -3.223 -3.690 -15.816 1.00 0.00 C ATOM 1033 O THR A 72 -4.243 -3.627 -15.115 1.00 0.00 O ATOM 1034 CB THR A 72 -2.664 -4.048 -18.324 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.780 -3.512 -19.032 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.895 -4.977 -19.281 1.00 0.00 C ATOM 0 H THR A 72 -5.153 -4.824 -17.561 1.00 0.00 H new ATOM 0 HA THR A 72 -2.351 -5.437 -16.747 1.00 0.00 H new ATOM 0 HB THR A 72 -1.970 -3.268 -18.011 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.471 -3.102 -19.867 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.620 -4.426 -20.180 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.994 -5.341 -18.788 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.527 -5.823 -19.553 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.168 -2.874 -15.632 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.095 -1.843 -14.562 1.00 0.00 C ATOM 1046 C ILE A 73 -1.605 -0.538 -15.250 1.00 0.00 C ATOM 1047 O ILE A 73 -0.409 -0.383 -15.523 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.216 -2.319 -13.345 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.912 -3.428 -12.493 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.779 -1.143 -12.429 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.971 -4.379 -11.734 1.00 0.00 C ATOM 0 H ILE A 73 -1.335 -2.906 -16.220 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.067 -1.659 -14.103 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.322 -2.752 -13.794 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.570 -2.945 -11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.544 -4.023 -13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.176 -1.527 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.192 -0.430 -13.008 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.663 -0.645 -12.029 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.561 -5.107 -11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.329 -4.900 -12.445 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.355 -3.805 -11.041 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.542 0.390 -15.519 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.232 1.691 -16.171 1.00 0.00 C ATOM 1065 C ASP A 74 -1.642 2.663 -15.112 1.00 0.00 C ATOM 1066 O ASP A 74 -1.440 2.302 -13.943 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.479 2.280 -16.893 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.440 1.259 -17.524 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.252 0.902 -18.708 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.388 0.815 -16.839 1.00 0.00 O ATOM 0 H ASP A 74 -3.530 0.268 -15.296 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.485 1.537 -16.949 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.039 2.881 -16.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.135 2.956 -17.675 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.337 3.902 -15.547 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.721 4.940 -14.674 1.00 0.00 C ATOM 1077 C PHE A 75 -1.791 5.426 -13.659 1.00 0.00 C ATOM 1078 O PHE A 75 -1.485 5.681 -12.489 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.150 6.107 -15.532 1.00 0.00 C ATOM 1080 CG PHE A 75 0.566 7.218 -14.738 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -0.164 8.069 -13.900 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.950 7.392 -14.853 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.482 9.078 -13.188 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.593 8.401 -14.139 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.860 9.239 -13.304 1.00 0.00 C ATOM 0 H PHE A 75 -1.506 4.216 -16.503 1.00 0.00 H new ATOM 0 HA PHE A 75 0.120 4.522 -14.121 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.550 5.694 -16.259 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.968 6.555 -16.096 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.232 7.943 -13.805 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.522 6.741 -15.498 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.086 9.735 -12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.661 8.533 -14.234 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.361 10.016 -12.745 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.040 5.576 -14.138 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.173 6.083 -13.320 1.00 0.00 C ATOM 1097 C GLU A 76 -4.527 5.036 -12.228 1.00 0.00 C ATOM 1098 O GLU A 76 -4.977 5.396 -11.133 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.392 6.446 -14.219 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.112 6.851 -15.688 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.331 7.414 -16.427 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.088 8.210 -15.828 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.533 7.066 -17.611 1.00 0.00 O ATOM 0 H GLU A 76 -3.298 5.352 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.880 7.006 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.066 5.590 -14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.927 7.267 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.316 7.596 -15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.743 5.980 -16.229 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.343 3.744 -12.558 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.676 2.610 -11.655 1.00 0.00 C ATOM 1112 C GLU A 77 -3.576 2.472 -10.567 1.00 0.00 C ATOM 1113 O GLU A 77 -3.866 2.112 -9.419 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.870 1.283 -12.445 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.221 0.030 -11.609 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.866 -1.084 -12.437 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.611 -1.154 -13.660 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.629 -1.897 -11.870 1.00 0.00 O ATOM 0 H GLU A 77 -3.960 3.450 -13.456 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.627 2.821 -11.167 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.660 1.435 -13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.954 1.078 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.314 -0.352 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.899 0.316 -10.805 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.317 2.755 -10.948 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.150 2.666 -10.030 1.00 0.00 C ATOM 1127 C PHE A 78 -1.373 3.643 -8.844 1.00 0.00 C ATOM 1128 O PHE A 78 -1.267 3.255 -7.675 1.00 0.00 O ATOM 1129 CB PHE A 78 0.175 2.955 -10.801 1.00 0.00 C ATOM 1130 CG PHE A 78 1.467 2.761 -9.980 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.968 3.808 -9.197 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.136 1.531 -9.986 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.120 3.629 -8.436 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.288 1.354 -9.223 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.778 2.402 -8.448 1.00 0.00 C ATOM 0 H PHE A 78 -2.073 3.051 -11.893 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.059 1.657 -9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.218 2.305 -11.675 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.147 3.981 -11.168 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.458 4.760 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.757 0.716 -10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.503 4.442 -7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.801 0.404 -9.233 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.670 2.263 -7.855 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.653 4.919 -9.168 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.791 6.005 -8.162 1.00 0.00 C ATOM 1147 C LEU A 79 -2.942 5.633 -7.186 1.00 0.00 C ATOM 1148 O LEU A 79 -2.930 6.049 -6.020 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.047 7.377 -8.856 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.800 8.225 -9.242 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.137 7.689 -10.526 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.131 9.723 -9.408 1.00 0.00 C ATOM 0 H LEU A 79 -1.791 5.232 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.864 6.107 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.624 7.194 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.672 7.978 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.099 8.131 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.731 8.302 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.179 6.658 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.852 7.728 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.226 10.268 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.876 9.846 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.525 10.115 -8.470 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.939 4.877 -7.681 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.116 4.449 -6.876 1.00 0.00 C ATOM 1166 C VAL A 80 -4.606 3.504 -5.754 1.00 0.00 C ATOM 1167 O VAL A 80 -4.905 3.711 -4.569 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.239 3.813 -7.773 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.249 2.932 -6.996 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.039 4.870 -8.572 1.00 0.00 C ATOM 0 H VAL A 80 -3.959 4.543 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.597 5.311 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.680 3.175 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.990 2.532 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.720 2.109 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.749 3.534 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.800 4.372 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.518 5.563 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.363 5.420 -9.226 1.00 0.00 H new ATOM 1180 N MET A 81 -3.864 2.452 -6.144 1.00 0.00 N ATOM 1181 CA MET A 81 -3.308 1.442 -5.203 1.00 0.00 C ATOM 1182 C MET A 81 -2.621 2.191 -4.028 1.00 0.00 C ATOM 1183 O MET A 81 -2.947 1.964 -2.858 1.00 0.00 O ATOM 1184 CB MET A 81 -2.333 0.468 -5.925 1.00 0.00 C ATOM 1185 CG MET A 81 -2.947 -0.389 -7.048 1.00 0.00 C ATOM 1186 SD MET A 81 -1.656 -0.928 -8.192 1.00 0.00 S ATOM 1187 CE MET A 81 -0.690 -2.031 -7.139 1.00 0.00 C ATOM 0 H MET A 81 -3.628 2.271 -7.120 1.00 0.00 H new ATOM 0 HA MET A 81 -4.114 0.822 -4.809 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.514 1.051 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.900 -0.200 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.451 -1.256 -6.621 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.702 0.186 -7.584 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.207 -2.790 -7.754 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.069 -1.456 -6.609 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.348 -2.514 -6.417 1.00 0.00 H new ATOM 1197 N MET A 82 -1.644 3.056 -4.362 1.00 0.00 N ATOM 1198 CA MET A 82 -0.808 3.764 -3.356 1.00 0.00 C ATOM 1199 C MET A 82 -1.674 4.768 -2.546 1.00 0.00 C ATOM 1200 O MET A 82 -1.329 5.106 -1.404 1.00 0.00 O ATOM 1201 CB MET A 82 0.387 4.463 -4.065 1.00 0.00 C ATOM 1202 CG MET A 82 1.619 3.575 -4.323 1.00 0.00 C ATOM 1203 SD MET A 82 2.669 3.476 -2.854 1.00 0.00 S ATOM 1204 CE MET A 82 3.967 2.352 -3.408 1.00 0.00 C ATOM 0 H MET A 82 -1.408 3.287 -5.327 1.00 0.00 H new ATOM 0 HA MET A 82 -0.400 3.044 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.039 4.858 -5.020 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.696 5.316 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.296 2.575 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.193 3.978 -5.158 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.685 2.200 -2.602 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.525 1.395 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.476 2.781 -4.271 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.771 5.260 -3.149 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.631 6.318 -2.554 1.00 0.00 C ATOM 1216 C VAL A 83 -4.316 5.718 -1.296 1.00 0.00 C ATOM 1217 O VAL A 83 -4.408 6.381 -0.254 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.641 6.910 -3.601 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.100 6.925 -3.085 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.288 8.338 -4.086 1.00 0.00 C ATOM 0 H VAL A 83 -3.093 4.940 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.030 7.174 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.553 6.227 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.752 7.344 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.416 5.907 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.161 7.534 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.035 8.673 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.275 9.019 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.306 8.329 -4.559 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.813 4.473 -1.417 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.599 3.796 -0.351 1.00 0.00 C ATOM 1232 C ARG A 84 -4.760 3.810 0.956 1.00 0.00 C ATOM 1233 O ARG A 84 -5.246 4.229 2.014 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.962 2.345 -0.777 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.353 2.189 -1.437 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.349 1.190 -2.609 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.224 -0.213 -2.138 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.261 -1.058 -1.964 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.468 -0.605 -1.652 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.119 -2.362 -2.156 1.00 0.00 N ATOM 0 H ARG A 84 -4.685 3.903 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.538 4.323 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.204 1.985 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.919 1.702 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.071 1.859 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.691 3.161 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.269 1.300 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.523 1.422 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.288 -0.562 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.623 0.397 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.241 -1.258 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.215 -2.740 -2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.914 -2.987 -2.020 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.509 3.321 0.871 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.616 3.160 2.050 1.00 0.00 C ATOM 1256 C GLN A 85 -2.233 4.570 2.578 1.00 0.00 C ATOM 1257 O GLN A 85 -2.049 4.764 3.785 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.371 2.309 1.669 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.581 0.775 1.617 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.374 -0.049 2.097 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.516 -1.181 2.559 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.831 0.494 2.006 1.00 0.00 N ATOM 0 H GLN A 85 -3.084 3.026 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.128 2.623 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.016 2.639 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.578 2.522 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.447 0.518 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.817 0.488 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.940 1.433 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.650 -0.027 2.320 1.00 0.00 H new ATOM 1271 N MET A 86 -2.092 5.535 1.651 1.00 0.00 N ATOM 1272 CA MET A 86 -1.629 6.913 1.966 1.00 0.00 C ATOM 1273 C MET A 86 -2.511 7.466 3.119 1.00 0.00 C ATOM 1274 O MET A 86 -2.033 8.229 3.967 1.00 0.00 O ATOM 1275 CB MET A 86 -1.665 7.823 0.707 1.00 0.00 C ATOM 1276 CG MET A 86 -0.302 8.355 0.224 1.00 0.00 C ATOM 1277 SD MET A 86 -0.455 10.081 -0.285 1.00 0.00 S ATOM 1278 CE MET A 86 -1.668 9.949 -1.616 1.00 0.00 C ATOM 0 H MET A 86 -2.294 5.389 0.662 1.00 0.00 H new ATOM 0 HA MET A 86 -0.588 6.895 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.125 7.265 -0.108 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.313 8.674 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.435 8.267 1.022 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.058 7.752 -0.610 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.669 10.869 -2.200 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.410 9.110 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.659 9.788 -1.191 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.805 7.094 3.115 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.808 7.614 4.082 1.00 0.00 C ATOM 1290 C LYS A 87 -4.250 7.428 5.520 1.00 0.00 C ATOM 1291 O LYS A 87 -3.314 6.648 5.735 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.176 6.887 3.948 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.158 7.501 2.923 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.650 7.208 3.190 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.302 6.216 2.206 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.852 6.909 1.028 1.00 0.00 N ATOM 0 H LYS A 87 -4.190 6.427 2.446 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.981 8.669 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.991 5.849 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.659 6.875 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.013 8.581 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.903 7.130 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.753 6.815 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.202 8.147 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.564 5.481 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.097 5.669 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.283 6.214 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.574 7.593 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.088 7.411 0.532 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.836 8.152 6.490 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.434 8.102 7.922 1.00 0.00 C ATOM 1312 C GLU A 88 -3.233 9.066 8.124 1.00 0.00 C ATOM 1313 O GLU A 88 -3.409 10.198 8.597 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.150 6.638 8.368 1.00 0.00 C ATOM 1315 CG GLU A 88 -4.233 6.352 9.887 1.00 0.00 C ATOM 1316 CD GLU A 88 -4.972 5.059 10.242 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -6.039 4.788 9.647 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -4.488 4.305 11.115 1.00 0.00 O ATOM 0 H GLU A 88 -5.607 8.795 6.310 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.245 8.441 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.856 5.983 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.153 6.363 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.222 6.303 10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.732 7.189 10.376 1.00 0.00 H new ATOM 1325 N ASP A 89 -2.020 8.607 7.764 1.00 0.00 N ATOM 1326 CA ASP A 89 -0.767 9.387 7.943 1.00 0.00 C ATOM 1327 C ASP A 89 0.443 8.460 7.646 1.00 0.00 C ATOM 1328 O ASP A 89 0.553 7.363 8.207 1.00 0.00 O ATOM 1329 CB ASP A 89 -0.692 10.037 9.355 1.00 0.00 C ATOM 1330 CG ASP A 89 -0.954 11.552 9.417 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -0.735 12.245 8.399 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -1.371 12.051 10.485 1.00 0.00 O ATOM 0 H ASP A 89 -1.874 7.690 7.342 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.749 10.219 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.413 9.537 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.297 9.842 9.770 1.00 0.00 H new ATOM 1337 N ALA A 90 1.358 8.935 6.780 1.00 0.00 N ATOM 1338 CA ALA A 90 2.539 8.149 6.334 1.00 0.00 C ATOM 1339 C ALA A 90 2.047 6.845 5.678 1.00 0.00 C ATOM 1340 O ALA A 90 1.895 5.819 6.411 1.00 0.00 O ATOM 1341 CB ALA A 90 3.495 7.879 7.515 1.00 0.00 C ATOM 1342 OXT ALA A 90 1.803 6.816 4.432 1.00 0.00 O ATOM 0 H ALA A 90 1.306 9.867 6.369 1.00 0.00 H new ATOM 0 HA ALA A 90 3.108 8.717 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.352 7.303 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.840 8.827 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.970 7.316 8.287 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.212 -2.020 -20.507 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.678 -3.018 -13.937 1.00 0.00 CA