USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 LYS NZ :NH3+ -142:sc= -0.618 (180deg=-1.39!) USER MOD Set 1.2: A 82 ASN :FLIP amide:sc= -0.134 F(o=-1.4,f=-0.75) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0727 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.13 K(o=0.13,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.3!) USER MOD Single : A 38 ASN : amide:sc= -2.69 K(o=-2.7,f=-6.5!) USER MOD Single : A 39 MET CE :methyl -172:sc= -3.44 (180deg=-3.61) USER MOD Single : A 43 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.055) USER MOD Single : A 45 SER OG : rot 180:sc= -0.15 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -30:sc= -2.93! USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.0962 F(o=-0.91,f=-0.096) USER MOD Single : A 63 SER OG : rot -148:sc= 0.0345 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 66 GLN : amide:sc=-0.00899 X(o=-0.009,f=-0.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -0.494 (180deg=-1.99!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 75 ASN : amide:sc= 0.432 K(o=0.43,f=-0.16) USER MOD Single : A 77 LYS NZ :NH3+ 140:sc= 1.17 (180deg=-0.767) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0339 F(o=-1.1,f=-0.034) USER MOD Single : A 86 TYR OH : rot 171:sc= 0.0871 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 95 LYS NZ :NH3+ 141:sc= -0.14 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.507 -3.040 -3.746 1.00 0.00 N ATOM 28 CA THR A 3 6.504 -2.724 -4.761 1.00 0.00 C ATOM 29 C THR A 3 7.915 -2.800 -4.189 1.00 0.00 C ATOM 30 O THR A 3 8.174 -2.395 -3.056 1.00 0.00 O ATOM 31 CB THR A 3 6.278 -1.321 -5.354 1.00 0.00 C ATOM 32 OG1 THR A 3 7.453 -0.886 -6.046 1.00 0.00 O ATOM 33 CG2 THR A 3 5.927 -0.322 -4.262 1.00 0.00 C ATOM 0 HA THR A 3 6.395 -3.466 -5.552 1.00 0.00 H new ATOM 0 HB THR A 3 5.445 -1.377 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.300 0.006 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.772 0.662 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.015 -0.640 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.742 -0.270 -3.540 1.00 0.00 H new ATOM 41 N PRO A 4 8.851 -3.331 -4.989 1.00 0.00 N ATOM 42 CA PRO A 4 10.253 -3.471 -4.583 1.00 0.00 C ATOM 43 C PRO A 4 10.964 -2.126 -4.480 1.00 0.00 C ATOM 44 O PRO A 4 11.581 -1.816 -3.461 1.00 0.00 O ATOM 45 CB PRO A 4 10.864 -4.315 -5.705 1.00 0.00 C ATOM 46 CG PRO A 4 10.001 -4.052 -6.890 1.00 0.00 C ATOM 47 CD PRO A 4 8.614 -3.835 -6.352 1.00 0.00 C ATOM 0 HA PRO A 4 10.348 -3.919 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.898 -4.029 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.869 -5.374 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.348 -3.177 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.024 -4.893 -7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.057 -3.117 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.037 -4.760 -6.344 1.00 0.00 H new ATOM 55 N ARG A 5 10.872 -1.331 -5.541 1.00 0.00 N ATOM 56 CA ARG A 5 11.508 -0.019 -5.570 1.00 0.00 C ATOM 57 C ARG A 5 10.838 0.887 -6.599 1.00 0.00 C ATOM 58 O ARG A 5 10.261 0.412 -7.577 1.00 0.00 O ATOM 59 CB ARG A 5 12.997 -0.157 -5.889 1.00 0.00 C ATOM 60 CG ARG A 5 13.863 -0.397 -4.663 1.00 0.00 C ATOM 61 CD ARG A 5 14.332 -1.841 -4.585 1.00 0.00 C ATOM 62 NE ARG A 5 15.183 -2.079 -3.423 1.00 0.00 N ATOM 63 CZ ARG A 5 16.442 -1.664 -3.336 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.992 -0.994 -4.339 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.152 -1.919 -2.245 1.00 0.00 N ATOM 0 H ARG A 5 10.363 -1.572 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 5 11.395 0.433 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.135 -0.982 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.337 0.748 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.728 0.266 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.300 -0.147 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.466 -2.501 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.880 -2.094 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 5 14.789 -2.592 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.448 -0.796 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.959 -0.676 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.731 -2.434 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.119 -1.600 -2.179 1.00 0.00 H new ATOM 79 N PHE A 6 10.918 2.194 -6.370 1.00 0.00 N ATOM 80 CA PHE A 6 10.319 3.167 -7.276 1.00 0.00 C ATOM 81 C PHE A 6 10.749 4.585 -6.913 1.00 0.00 C ATOM 82 O PHE A 6 10.764 4.959 -5.740 1.00 0.00 O ATOM 83 CB PHE A 6 8.793 3.058 -7.238 1.00 0.00 C ATOM 84 CG PHE A 6 8.185 3.601 -5.976 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.842 4.940 -5.877 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.957 2.773 -4.889 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.282 5.443 -4.718 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.397 3.270 -3.727 1.00 0.00 C ATOM 89 CZ PHE A 6 7.061 4.607 -3.641 1.00 0.00 C ATOM 0 H PHE A 6 11.392 2.603 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 6 10.667 2.949 -8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.377 3.593 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.508 2.012 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.014 5.598 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.220 1.727 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.018 6.488 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.222 2.614 -2.887 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.626 4.998 -2.733 1.00 0.00 H new ATOM 99 N SER A 7 11.097 5.369 -7.928 1.00 0.00 N ATOM 100 CA SER A 7 11.532 6.745 -7.716 1.00 0.00 C ATOM 101 C SER A 7 10.685 7.714 -8.536 1.00 0.00 C ATOM 102 O SER A 7 10.257 7.396 -9.646 1.00 0.00 O ATOM 103 CB SER A 7 13.007 6.899 -8.088 1.00 0.00 C ATOM 104 OG SER A 7 13.782 7.268 -6.960 1.00 0.00 O ATOM 0 H SER A 7 11.086 5.075 -8.905 1.00 0.00 H new ATOM 0 HA SER A 7 11.405 6.982 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.381 5.962 -8.499 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.112 7.654 -8.868 1.00 0.00 H new ATOM 0 HG SER A 7 14.721 7.358 -7.224 1.00 0.00 H new ATOM 110 N ILE A 8 10.447 8.898 -7.980 1.00 0.00 N ATOM 111 CA ILE A 8 9.653 9.914 -8.660 1.00 0.00 C ATOM 112 C ILE A 8 10.511 11.113 -9.048 1.00 0.00 C ATOM 113 O ILE A 8 11.425 11.501 -8.318 1.00 0.00 O ATOM 114 CB ILE A 8 8.485 10.397 -7.780 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.988 9.259 -6.885 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.354 10.929 -8.647 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.838 9.656 -5.986 1.00 0.00 C ATOM 0 H ILE A 8 10.792 9.177 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 8 9.251 9.450 -9.561 1.00 0.00 H new ATOM 0 HB ILE A 8 8.840 11.207 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.677 8.424 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.814 8.904 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.536 11.267 -8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.717 11.765 -9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.998 10.138 -9.307 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.538 8.801 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.151 10.471 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.996 9.983 -6.596 1.00 0.00 H new ATOM 129 N THR A 9 10.211 11.700 -10.203 1.00 0.00 N ATOM 130 CA THR A 9 10.953 12.856 -10.689 1.00 0.00 C ATOM 131 C THR A 9 10.014 14.001 -11.049 1.00 0.00 C ATOM 132 O THR A 9 8.904 13.776 -11.530 1.00 0.00 O ATOM 133 CB THR A 9 11.806 12.499 -11.921 1.00 0.00 C ATOM 134 OG1 THR A 9 12.360 11.187 -11.770 1.00 0.00 O ATOM 135 CG2 THR A 9 12.926 13.509 -12.115 1.00 0.00 C ATOM 0 H THR A 9 9.458 11.393 -10.819 1.00 0.00 H new ATOM 0 HA THR A 9 11.612 13.171 -9.880 1.00 0.00 H new ATOM 0 HB THR A 9 11.162 12.522 -12.800 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.899 10.967 -12.558 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.515 13.236 -12.991 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.500 14.502 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.568 13.514 -11.234 1.00 0.00 H new ATOM 143 N GLN A 10 10.467 15.228 -10.815 1.00 0.00 N ATOM 144 CA GLN A 10 9.665 16.409 -11.115 1.00 0.00 C ATOM 145 C GLN A 10 10.251 17.178 -12.295 1.00 0.00 C ATOM 146 O GLN A 10 11.469 17.248 -12.460 1.00 0.00 O ATOM 147 CB GLN A 10 9.579 17.319 -9.889 1.00 0.00 C ATOM 148 CG GLN A 10 10.935 17.682 -9.304 1.00 0.00 C ATOM 149 CD GLN A 10 11.439 16.650 -8.315 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.173 15.731 -8.679 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.046 16.796 -7.055 1.00 0.00 N ATOM 0 H GLN A 10 11.385 15.431 -10.419 1.00 0.00 H new ATOM 0 HA GLN A 10 8.662 16.078 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.054 18.234 -10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.982 16.826 -9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.658 17.789 -10.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.865 18.651 -8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.437 17.573 -6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.353 16.131 -6.345 1.00 0.00 H new ATOM 160 N ASP A 11 9.376 17.755 -13.111 1.00 0.00 N ATOM 161 CA ASP A 11 9.807 18.520 -14.276 1.00 0.00 C ATOM 162 C ASP A 11 9.059 19.847 -14.360 1.00 0.00 C ATOM 163 O ASP A 11 8.117 20.089 -13.606 1.00 0.00 O ATOM 164 CB ASP A 11 9.583 17.713 -15.555 1.00 0.00 C ATOM 165 CG ASP A 11 9.814 16.228 -15.351 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.825 15.867 -14.712 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.984 15.427 -15.828 1.00 0.00 O ATOM 0 H ASP A 11 8.365 17.708 -12.988 1.00 0.00 H new ATOM 0 HA ASP A 11 10.872 18.728 -14.170 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.565 17.874 -15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.253 18.078 -16.334 1.00 0.00 H new ATOM 172 N GLU A 12 9.487 20.704 -15.282 1.00 0.00 N ATOM 173 CA GLU A 12 8.859 22.008 -15.462 1.00 0.00 C ATOM 174 C GLU A 12 7.680 21.915 -16.428 1.00 0.00 C ATOM 175 O GLU A 12 7.093 22.928 -16.805 1.00 0.00 O ATOM 176 CB GLU A 12 9.879 23.023 -15.982 1.00 0.00 C ATOM 177 CG GLU A 12 10.284 22.792 -17.428 1.00 0.00 C ATOM 178 CD GLU A 12 11.596 23.466 -17.781 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.584 24.688 -18.039 1.00 0.00 O ATOM 180 OE2 GLU A 12 12.634 22.773 -17.799 1.00 0.00 O ATOM 0 H GLU A 12 10.265 20.519 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 12 8.488 22.341 -14.493 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.463 24.026 -15.886 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.769 22.986 -15.354 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.369 21.721 -17.611 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.499 23.166 -18.085 1.00 0.00 H new ATOM 187 N GLU A 13 7.342 20.691 -16.823 1.00 0.00 N ATOM 188 CA GLU A 13 6.235 20.466 -17.745 1.00 0.00 C ATOM 189 C GLU A 13 5.249 19.450 -17.175 1.00 0.00 C ATOM 190 O GLU A 13 4.039 19.567 -17.368 1.00 0.00 O ATOM 191 CB GLU A 13 6.760 19.980 -19.098 1.00 0.00 C ATOM 192 CG GLU A 13 8.030 19.152 -18.996 1.00 0.00 C ATOM 193 CD GLU A 13 8.437 18.543 -20.323 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.608 18.544 -21.256 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.586 18.064 -20.428 1.00 0.00 O ATOM 0 H GLU A 13 7.818 19.842 -16.519 1.00 0.00 H new ATOM 0 HA GLU A 13 5.714 21.413 -17.884 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.987 19.386 -19.586 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.949 20.843 -19.736 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.840 19.780 -18.625 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.883 18.357 -18.265 1.00 0.00 H new ATOM 202 N PHE A 14 5.777 18.454 -16.472 1.00 0.00 N ATOM 203 CA PHE A 14 4.945 17.416 -15.874 1.00 0.00 C ATOM 204 C PHE A 14 5.751 16.572 -14.891 1.00 0.00 C ATOM 205 O PHE A 14 6.910 16.871 -14.605 1.00 0.00 O ATOM 206 CB PHE A 14 4.349 16.521 -16.963 1.00 0.00 C ATOM 207 CG PHE A 14 5.378 15.731 -17.719 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.225 16.355 -18.620 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.497 14.363 -17.530 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.173 15.631 -19.318 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.444 13.634 -18.225 1.00 0.00 C ATOM 212 CZ PHE A 14 7.282 14.269 -19.121 1.00 0.00 C ATOM 0 H PHE A 14 6.777 18.343 -16.302 1.00 0.00 H new ATOM 0 HA PHE A 14 4.136 17.902 -15.329 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.637 15.833 -16.507 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.790 17.140 -17.665 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.144 17.420 -18.779 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.843 13.861 -16.832 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.828 16.130 -20.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.529 12.569 -18.068 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.021 13.701 -19.666 1.00 0.00 H new ATOM 222 N ILE A 15 5.127 15.517 -14.377 1.00 0.00 N ATOM 223 CA ILE A 15 5.786 14.630 -13.426 1.00 0.00 C ATOM 224 C ILE A 15 6.196 13.320 -14.091 1.00 0.00 C ATOM 225 O ILE A 15 5.465 12.775 -14.918 1.00 0.00 O ATOM 226 CB ILE A 15 4.877 14.319 -12.223 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.951 15.450 -11.194 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.270 12.993 -11.590 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.284 15.532 -10.483 1.00 0.00 C ATOM 0 H ILE A 15 4.167 15.256 -14.603 1.00 0.00 H new ATOM 0 HA ILE A 15 6.676 15.151 -13.073 1.00 0.00 H new ATOM 0 HB ILE A 15 3.848 14.240 -12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.756 16.399 -11.694 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.162 15.311 -10.455 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.618 12.788 -10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.170 12.195 -12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.304 13.045 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.265 16.355 -9.769 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.473 14.597 -9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.076 15.703 -11.213 1.00 0.00 H new ATOM 241 N PHE A 16 7.369 12.817 -13.721 1.00 0.00 N ATOM 242 CA PHE A 16 7.877 11.570 -14.280 1.00 0.00 C ATOM 243 C PHE A 16 8.175 10.560 -13.176 1.00 0.00 C ATOM 244 O PHE A 16 9.210 10.635 -12.512 1.00 0.00 O ATOM 245 CB PHE A 16 9.141 11.831 -15.102 1.00 0.00 C ATOM 246 CG PHE A 16 9.845 10.577 -15.535 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.418 9.878 -16.653 1.00 0.00 C ATOM 248 CD2 PHE A 16 10.933 10.097 -14.824 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.064 8.724 -17.054 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.583 8.944 -15.221 1.00 0.00 C ATOM 251 CZ PHE A 16 11.147 8.256 -16.337 1.00 0.00 C ATOM 0 H PHE A 16 7.986 13.254 -13.036 1.00 0.00 H new ATOM 0 HA PHE A 16 7.108 11.154 -14.931 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.877 12.413 -15.985 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.828 12.439 -14.514 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.571 10.239 -17.217 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.277 10.630 -13.950 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.722 8.189 -17.927 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.431 8.581 -14.659 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.653 7.354 -16.648 1.00 0.00 H new ATOM 261 N LEU A 17 7.260 9.616 -12.983 1.00 0.00 N ATOM 262 CA LEU A 17 7.422 8.590 -11.959 1.00 0.00 C ATOM 263 C LEU A 17 7.943 7.292 -12.566 1.00 0.00 C ATOM 264 O LEU A 17 7.329 6.727 -13.472 1.00 0.00 O ATOM 265 CB LEU A 17 6.092 8.337 -11.247 1.00 0.00 C ATOM 266 CG LEU A 17 6.042 7.110 -10.336 1.00 0.00 C ATOM 267 CD1 LEU A 17 5.775 5.852 -11.148 1.00 0.00 C ATOM 268 CD2 LEU A 17 7.338 6.975 -9.550 1.00 0.00 C ATOM 0 H LEU A 17 6.398 9.540 -13.523 1.00 0.00 H new ATOM 0 HA LEU A 17 8.152 8.948 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.848 9.217 -10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.312 8.237 -12.002 1.00 0.00 H new ATOM 0 HG LEU A 17 5.224 7.241 -9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.743 4.989 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.820 5.948 -11.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.571 5.716 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.284 6.096 -8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.174 6.868 -10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.486 7.864 -8.937 1.00 0.00 H new ATOM 280 N LYS A 18 9.077 6.820 -12.060 1.00 0.00 N ATOM 281 CA LYS A 18 9.680 5.586 -12.549 1.00 0.00 C ATOM 282 C LYS A 18 9.574 4.478 -11.506 1.00 0.00 C ATOM 283 O LYS A 18 9.753 4.719 -10.312 1.00 0.00 O ATOM 284 CB LYS A 18 11.147 5.820 -12.913 1.00 0.00 C ATOM 285 CG LYS A 18 12.093 5.704 -11.730 1.00 0.00 C ATOM 286 CD LYS A 18 13.527 6.010 -12.131 1.00 0.00 C ATOM 287 CE LYS A 18 13.736 7.499 -12.359 1.00 0.00 C ATOM 288 NZ LYS A 18 14.964 7.997 -11.679 1.00 0.00 N ATOM 0 H LYS A 18 9.598 7.274 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 18 9.136 5.274 -13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.443 5.100 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.250 6.812 -13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.780 6.391 -10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.037 4.698 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.206 5.661 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.776 5.463 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.808 7.696 -13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.869 8.048 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.071 9.016 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.885 7.832 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.794 7.491 -12.048 1.00 0.00 H new ATOM 302 N ILE A 19 9.284 3.265 -11.965 1.00 0.00 N ATOM 303 CA ILE A 19 9.157 2.121 -11.071 1.00 0.00 C ATOM 304 C ILE A 19 10.140 1.018 -11.448 1.00 0.00 C ATOM 305 O ILE A 19 10.230 0.622 -12.611 1.00 0.00 O ATOM 306 CB ILE A 19 7.728 1.548 -11.088 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.700 2.680 -11.011 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.535 0.571 -9.939 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.986 2.938 -12.319 1.00 0.00 C ATOM 0 H ILE A 19 9.133 3.049 -12.950 1.00 0.00 H new ATOM 0 HA ILE A 19 9.383 2.479 -10.067 1.00 0.00 H new ATOM 0 HB ILE A 19 7.579 1.010 -12.024 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.963 2.439 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.201 3.594 -10.694 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.520 0.175 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.247 -0.249 -10.035 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.700 1.086 -8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.273 3.752 -12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.714 3.211 -13.083 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.456 2.037 -12.628 1.00 0.00 H new ATOM 321 N PHE A 20 10.874 0.522 -10.457 1.00 0.00 N ATOM 322 CA PHE A 20 11.849 -0.537 -10.684 1.00 0.00 C ATOM 323 C PHE A 20 11.224 -1.910 -10.455 1.00 0.00 C ATOM 324 O PHE A 20 10.676 -2.184 -9.387 1.00 0.00 O ATOM 325 CB PHE A 20 13.057 -0.354 -9.762 1.00 0.00 C ATOM 326 CG PHE A 20 13.663 1.019 -9.834 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.484 1.373 -10.892 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.411 1.954 -8.843 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.043 2.636 -10.962 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.967 3.218 -8.908 1.00 0.00 C ATOM 331 CZ PHE A 20 14.785 3.559 -9.967 1.00 0.00 C ATOM 0 H PHE A 20 10.812 0.837 -9.489 1.00 0.00 H new ATOM 0 HA PHE A 20 12.179 -0.476 -11.721 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.754 -0.555 -8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.817 -1.092 -10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.690 0.654 -11.671 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.774 1.693 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.680 2.900 -11.793 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.762 3.939 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.222 4.545 -10.017 1.00 0.00 H new ATOM 341 N ILE A 21 11.312 -2.769 -11.465 1.00 0.00 N ATOM 342 CA ILE A 21 10.756 -4.114 -11.374 1.00 0.00 C ATOM 343 C ILE A 21 11.550 -5.096 -12.229 1.00 0.00 C ATOM 344 O ILE A 21 12.129 -4.720 -13.248 1.00 0.00 O ATOM 345 CB ILE A 21 9.280 -4.143 -11.815 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.159 -3.768 -13.293 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.451 -3.202 -10.953 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.738 -3.809 -13.812 1.00 0.00 C ATOM 0 H ILE A 21 11.763 -2.558 -12.355 1.00 0.00 H new ATOM 0 HA ILE A 21 10.821 -4.413 -10.328 1.00 0.00 H new ATOM 0 HB ILE A 21 8.897 -5.155 -11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.562 -2.766 -13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.773 -4.448 -13.884 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.411 -3.234 -11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.516 -3.512 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.832 -2.186 -11.054 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.728 -3.532 -14.866 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.338 -4.816 -13.698 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.124 -3.108 -13.247 1.00 0.00 H new ATOM 492 N LEU A 31 -2.432 -3.350 -16.981 1.00 0.00 N ATOM 493 CA LEU A 31 -1.805 -2.057 -17.229 1.00 0.00 C ATOM 494 C LEU A 31 -2.856 -0.977 -17.463 1.00 0.00 C ATOM 495 O LEU A 31 -3.465 -0.912 -18.531 1.00 0.00 O ATOM 496 CB LEU A 31 -0.870 -2.145 -18.437 1.00 0.00 C ATOM 497 CG LEU A 31 0.566 -2.582 -18.144 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.578 -3.846 -17.299 1.00 0.00 C ATOM 499 CD2 LEU A 31 1.333 -2.797 -19.441 1.00 0.00 C ATOM 0 HA LEU A 31 -1.225 -1.787 -16.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.301 -2.842 -19.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.840 -1.168 -18.920 1.00 0.00 H new ATOM 0 HG LEU A 31 1.059 -1.789 -17.581 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.608 -4.141 -17.101 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.067 -3.657 -16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.068 -4.647 -17.835 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.353 -3.108 -19.213 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.841 -3.571 -20.031 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.355 -1.867 -20.009 1.00 0.00 H new ATOM 511 N GLU A 32 -3.061 -0.130 -16.459 1.00 0.00 N ATOM 512 CA GLU A 32 -4.038 0.948 -16.557 1.00 0.00 C ATOM 513 C GLU A 32 -3.929 1.892 -15.363 1.00 0.00 C ATOM 514 O GLU A 32 -4.849 1.993 -14.552 1.00 0.00 O ATOM 515 CB GLU A 32 -5.455 0.376 -16.641 1.00 0.00 C ATOM 516 CG GLU A 32 -6.446 1.302 -17.326 1.00 0.00 C ATOM 517 CD GLU A 32 -7.748 0.608 -17.674 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.880 -0.595 -17.365 1.00 0.00 O ATOM 519 OE2 GLU A 32 -8.636 1.267 -18.255 1.00 0.00 O ATOM 0 H GLU A 32 -2.564 -0.170 -15.569 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.827 1.513 -17.465 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.424 -0.571 -17.179 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.810 0.159 -15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.654 2.151 -16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.996 1.700 -18.236 1.00 0.00 H new ATOM 526 N ILE A 33 -2.797 2.580 -15.263 1.00 0.00 N ATOM 527 CA ILE A 33 -2.567 3.516 -14.170 1.00 0.00 C ATOM 528 C ILE A 33 -3.510 4.711 -14.261 1.00 0.00 C ATOM 529 O ILE A 33 -3.673 5.306 -15.327 1.00 0.00 O ATOM 530 CB ILE A 33 -1.113 4.023 -14.159 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.142 2.851 -14.005 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.912 5.035 -13.041 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.313 3.252 -14.117 1.00 0.00 C ATOM 0 H ILE A 33 -2.025 2.507 -15.926 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.761 2.973 -13.245 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.910 4.516 -15.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.307 2.378 -13.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.364 2.103 -14.767 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.121 5.383 -13.047 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.582 5.882 -13.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.131 4.566 -12.082 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.943 2.371 -13.998 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.493 3.698 -15.095 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.552 3.977 -13.339 1.00 0.00 H new ATOM 545 N ILE A 34 -4.126 5.058 -13.137 1.00 0.00 N ATOM 546 CA ILE A 34 -5.051 6.184 -13.090 1.00 0.00 C ATOM 547 C ILE A 34 -4.648 7.181 -12.008 1.00 0.00 C ATOM 548 O ILE A 34 -4.044 6.809 -11.001 1.00 0.00 O ATOM 549 CB ILE A 34 -6.495 5.717 -12.830 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.639 5.207 -11.394 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.888 4.635 -13.824 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.406 6.148 -10.493 1.00 0.00 C ATOM 0 H ILE A 34 -4.002 4.576 -12.247 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.006 6.670 -14.065 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.165 6.566 -12.963 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.142 4.240 -11.409 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.647 5.043 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.911 4.315 -13.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.819 5.030 -14.838 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.215 3.784 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.469 5.722 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.892 7.108 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.411 6.293 -10.889 1.00 0.00 H new ATOM 564 N ILE A 35 -4.989 8.447 -12.221 1.00 0.00 N ATOM 565 CA ILE A 35 -4.666 9.497 -11.263 1.00 0.00 C ATOM 566 C ILE A 35 -5.925 10.038 -10.594 1.00 0.00 C ATOM 567 O ILE A 35 -6.906 10.357 -11.265 1.00 0.00 O ATOM 568 CB ILE A 35 -3.914 10.661 -11.935 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.645 10.150 -12.620 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.574 11.734 -10.911 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.687 10.261 -14.129 1.00 0.00 C ATOM 0 H ILE A 35 -5.489 8.771 -13.049 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.021 9.047 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.561 11.102 -12.693 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.789 10.711 -12.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.488 9.107 -12.345 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.043 12.550 -11.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.493 12.115 -10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.943 11.307 -10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.755 9.881 -14.548 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.523 9.677 -14.514 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.813 11.306 -14.414 1.00 0.00 H new ATOM 583 N GLN A 36 -5.888 10.139 -9.270 1.00 0.00 N ATOM 584 CA GLN A 36 -7.026 10.643 -8.511 1.00 0.00 C ATOM 585 C GLN A 36 -7.125 12.161 -8.620 1.00 0.00 C ATOM 586 O GLN A 36 -6.411 12.783 -9.406 1.00 0.00 O ATOM 587 CB GLN A 36 -6.909 10.232 -7.042 1.00 0.00 C ATOM 588 CG GLN A 36 -8.036 9.327 -6.572 1.00 0.00 C ATOM 589 CD GLN A 36 -9.406 9.941 -6.784 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.813 10.846 -6.055 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.125 9.451 -7.788 1.00 0.00 N ATOM 0 H GLN A 36 -5.083 9.879 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.932 10.207 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.958 9.722 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.892 11.129 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.981 8.378 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.901 9.106 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.748 8.701 -8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.054 9.825 -7.980 1.00 0.00 H new ATOM 600 N GLU A 37 -8.014 12.751 -7.826 1.00 0.00 N ATOM 601 CA GLU A 37 -8.205 14.196 -7.836 1.00 0.00 C ATOM 602 C GLU A 37 -6.876 14.922 -7.654 1.00 0.00 C ATOM 603 O GLU A 37 -6.655 15.988 -8.228 1.00 0.00 O ATOM 604 CB GLU A 37 -9.181 14.611 -6.733 1.00 0.00 C ATOM 605 CG GLU A 37 -8.940 13.904 -5.409 1.00 0.00 C ATOM 606 CD GLU A 37 -9.228 14.791 -4.214 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.834 15.866 -4.404 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.848 14.409 -3.087 1.00 0.00 O ATOM 0 H GLU A 37 -8.612 12.251 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.622 14.475 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.106 15.688 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.199 14.406 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.568 13.015 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.905 13.566 -5.365 1.00 0.00 H new ATOM 615 N ASN A 38 -5.994 14.338 -6.849 1.00 0.00 N ATOM 616 CA ASN A 38 -4.687 14.929 -6.590 1.00 0.00 C ATOM 617 C ASN A 38 -3.601 13.857 -6.563 1.00 0.00 C ATOM 618 O ASN A 38 -2.577 13.980 -7.235 1.00 0.00 O ATOM 619 CB ASN A 38 -4.702 15.689 -5.262 1.00 0.00 C ATOM 620 CG ASN A 38 -5.209 14.837 -4.114 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.415 14.647 -3.953 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.288 14.320 -3.309 1.00 0.00 N ATOM 0 H ASN A 38 -6.161 13.456 -6.365 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.465 15.626 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.695 16.038 -5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.331 16.574 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.569 13.739 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.299 14.504 -3.481 1.00 0.00 H new ATOM 629 N MET A 39 -3.832 12.807 -5.782 1.00 0.00 N ATOM 630 CA MET A 39 -2.875 11.713 -5.669 1.00 0.00 C ATOM 631 C MET A 39 -2.917 10.824 -6.908 1.00 0.00 C ATOM 632 O MET A 39 -3.787 10.979 -7.765 1.00 0.00 O ATOM 633 CB MET A 39 -3.165 10.880 -4.420 1.00 0.00 C ATOM 634 CG MET A 39 -3.959 9.615 -4.703 1.00 0.00 C ATOM 635 SD MET A 39 -4.646 8.876 -3.209 1.00 0.00 S ATOM 636 CE MET A 39 -3.168 8.688 -2.214 1.00 0.00 C ATOM 0 H MET A 39 -4.674 12.691 -5.218 1.00 0.00 H new ATOM 0 HA MET A 39 -1.877 12.144 -5.586 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.221 10.608 -3.947 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.715 11.492 -3.705 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.769 9.847 -5.395 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.314 8.889 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.404 8.115 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.406 8.163 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.794 9.671 -1.929 1.00 0.00 H new ATOM 646 N ILE A 40 -1.971 9.895 -6.996 1.00 0.00 N ATOM 647 CA ILE A 40 -1.902 8.981 -8.130 1.00 0.00 C ATOM 648 C ILE A 40 -2.037 7.532 -7.677 1.00 0.00 C ATOM 649 O ILE A 40 -1.473 7.134 -6.658 1.00 0.00 O ATOM 650 CB ILE A 40 -0.581 9.145 -8.904 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.520 10.521 -9.569 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.436 8.042 -9.943 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.799 10.805 -10.253 1.00 0.00 C ATOM 0 H ILE A 40 -1.242 9.755 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.733 9.231 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 40 0.247 9.066 -8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.323 10.597 -10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.702 11.288 -8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.502 8.171 -10.482 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.439 7.072 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.268 8.092 -10.646 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.770 11.798 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.605 10.762 -9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.974 10.060 -11.030 1.00 0.00 H new ATOM 665 N ILE A 41 -2.787 6.746 -8.443 1.00 0.00 N ATOM 666 CA ILE A 41 -2.993 5.339 -8.122 1.00 0.00 C ATOM 667 C ILE A 41 -2.241 4.437 -9.095 1.00 0.00 C ATOM 668 O ILE A 41 -2.482 4.470 -10.302 1.00 0.00 O ATOM 669 CB ILE A 41 -4.488 4.969 -8.148 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.269 5.842 -7.164 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.675 3.495 -7.821 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.767 5.745 -5.740 1.00 0.00 C ATOM 0 H ILE A 41 -3.262 7.060 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.606 5.185 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.874 5.150 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.214 6.881 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.320 5.554 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.737 3.249 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.147 2.889 -8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.276 3.289 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.367 6.390 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.847 4.714 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.725 6.061 -5.699 1.00 0.00 H new ATOM 684 N PHE A 42 -1.329 3.631 -8.561 1.00 0.00 N ATOM 685 CA PHE A 42 -0.541 2.719 -9.382 1.00 0.00 C ATOM 686 C PHE A 42 -1.142 1.316 -9.366 1.00 0.00 C ATOM 687 O PHE A 42 -0.947 0.556 -8.417 1.00 0.00 O ATOM 688 CB PHE A 42 0.905 2.672 -8.885 1.00 0.00 C ATOM 689 CG PHE A 42 1.734 1.611 -9.551 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.357 1.860 -10.763 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.890 0.365 -8.965 1.00 0.00 C ATOM 692 CE1 PHE A 42 3.119 0.885 -11.379 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.652 -0.613 -9.576 1.00 0.00 C ATOM 694 CZ PHE A 42 3.268 -0.352 -10.784 1.00 0.00 C ATOM 0 H PHE A 42 -1.118 3.591 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.554 3.089 -10.407 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.370 3.643 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.905 2.500 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.246 2.827 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.411 0.156 -8.020 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.598 1.091 -12.325 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.765 -1.580 -9.109 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.865 -1.114 -11.263 1.00 0.00 H new ATOM 704 N HIS A 43 -1.875 0.981 -10.423 1.00 0.00 N ATOM 705 CA HIS A 43 -2.505 -0.330 -10.531 1.00 0.00 C ATOM 706 C HIS A 43 -1.667 -1.266 -11.397 1.00 0.00 C ATOM 707 O HIS A 43 -1.825 -2.486 -11.343 1.00 0.00 O ATOM 708 CB HIS A 43 -3.911 -0.197 -11.117 1.00 0.00 C ATOM 709 CG HIS A 43 -4.919 -1.093 -10.466 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.279 -0.947 -10.640 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.758 -2.152 -9.638 1.00 0.00 C ATOM 712 CE1 HIS A 43 -6.911 -1.877 -9.946 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.011 -2.621 -9.330 1.00 0.00 N ATOM 0 H HIS A 43 -2.047 1.599 -11.216 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.575 -0.755 -9.530 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.240 0.838 -11.019 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.874 -0.420 -12.183 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.819 -2.553 -9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.982 -2.007 -9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.214 -3.416 -8.723 1.00 0.00 H new ATOM 721 N LEU A 44 -0.777 -0.687 -12.195 1.00 0.00 N ATOM 722 CA LEU A 44 0.086 -1.469 -13.073 1.00 0.00 C ATOM 723 C LEU A 44 0.787 -2.581 -12.299 1.00 0.00 C ATOM 724 O LEU A 44 1.003 -2.469 -11.093 1.00 0.00 O ATOM 725 CB LEU A 44 1.124 -0.563 -13.740 1.00 0.00 C ATOM 726 CG LEU A 44 1.449 -0.877 -15.200 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.852 0.389 -15.941 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.550 -1.923 -15.289 1.00 0.00 C ATOM 0 H LEU A 44 -0.634 0.321 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.537 -1.925 -13.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.770 0.466 -13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.047 -0.616 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 44 0.554 -1.281 -15.673 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.080 0.146 -16.979 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.032 1.107 -15.908 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.733 0.823 -15.468 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.768 -2.134 -16.336 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.449 -1.548 -14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.223 -2.838 -14.795 1.00 0.00 H new ATOM 740 N SER A 45 1.141 -3.652 -13.003 1.00 0.00 N ATOM 741 CA SER A 45 1.816 -4.785 -12.381 1.00 0.00 C ATOM 742 C SER A 45 0.917 -5.451 -11.344 1.00 0.00 C ATOM 743 O SER A 45 -0.111 -4.909 -10.936 1.00 0.00 O ATOM 744 CB SER A 45 3.121 -4.331 -11.725 1.00 0.00 C ATOM 745 OG SER A 45 4.245 -4.773 -12.467 1.00 0.00 O ATOM 0 H SER A 45 0.972 -3.759 -14.003 1.00 0.00 H new ATOM 0 HA SER A 45 2.043 -5.513 -13.160 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.135 -3.244 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.176 -4.721 -10.709 1.00 0.00 H new ATOM 0 HG SER A 45 5.067 -4.469 -12.028 1.00 0.00 H new ATOM 751 N PRO A 46 1.312 -6.655 -10.906 1.00 0.00 N ATOM 752 CA PRO A 46 0.557 -7.422 -9.910 1.00 0.00 C ATOM 753 C PRO A 46 0.616 -6.790 -8.524 1.00 0.00 C ATOM 754 O PRO A 46 -0.036 -7.255 -7.590 1.00 0.00 O ATOM 755 CB PRO A 46 1.256 -8.784 -9.907 1.00 0.00 C ATOM 756 CG PRO A 46 2.642 -8.499 -10.372 1.00 0.00 C ATOM 757 CD PRO A 46 2.526 -7.361 -11.348 1.00 0.00 C ATOM 0 HA PRO A 46 -0.504 -7.472 -10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.256 -9.227 -8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.753 -9.489 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.287 -8.231 -9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.083 -9.376 -10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.402 -6.713 -11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.432 -7.719 -12.373 1.00 0.00 H new ATOM 765 N TYR A 47 1.402 -5.726 -8.398 1.00 0.00 N ATOM 766 CA TYR A 47 1.548 -5.031 -7.124 1.00 0.00 C ATOM 767 C TYR A 47 0.888 -3.656 -7.176 1.00 0.00 C ATOM 768 O TYR A 47 1.144 -2.865 -8.084 1.00 0.00 O ATOM 769 CB TYR A 47 3.028 -4.885 -6.765 1.00 0.00 C ATOM 770 CG TYR A 47 3.811 -6.173 -6.891 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.288 -7.375 -6.430 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.074 -6.187 -7.471 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.000 -8.553 -6.542 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.792 -7.362 -7.588 1.00 0.00 C ATOM 775 CZ TYR A 47 5.251 -8.542 -7.122 1.00 0.00 C ATOM 776 OH TYR A 47 5.964 -9.713 -7.236 1.00 0.00 O ATOM 0 H TYR A 47 1.947 -5.326 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 47 1.052 -5.624 -6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.478 -4.131 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.111 -4.518 -5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.308 -7.388 -5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.501 -5.265 -7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.579 -9.478 -6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.772 -7.356 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 47 6.825 -9.531 -7.668 1.00 0.00 H new ATOM 786 N TYR A 48 0.038 -3.378 -6.193 1.00 0.00 N ATOM 787 CA TYR A 48 -0.660 -2.100 -6.126 1.00 0.00 C ATOM 788 C TYR A 48 0.093 -1.113 -5.240 1.00 0.00 C ATOM 789 O TYR A 48 0.459 -1.431 -4.107 1.00 0.00 O ATOM 790 CB TYR A 48 -2.080 -2.299 -5.593 1.00 0.00 C ATOM 791 CG TYR A 48 -2.861 -1.012 -5.453 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.706 -0.201 -4.335 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.753 -0.606 -6.438 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.417 0.976 -4.202 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.467 0.570 -6.314 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.296 1.357 -5.194 1.00 0.00 C ATOM 797 OH TYR A 48 -5.006 2.529 -5.066 1.00 0.00 O ATOM 0 H TYR A 48 -0.184 -4.020 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.711 -1.689 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.619 -2.970 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.029 -2.790 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.018 -0.496 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.890 -1.220 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.285 1.594 -3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.155 0.872 -7.090 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.164 2.714 -4.117 1.00 0.00 H new ATOM 807 N LEU A 49 0.322 0.086 -5.763 1.00 0.00 N ATOM 808 CA LEU A 49 1.031 1.122 -5.021 1.00 0.00 C ATOM 809 C LEU A 49 0.242 2.427 -5.017 1.00 0.00 C ATOM 810 O LEU A 49 -0.432 2.759 -5.993 1.00 0.00 O ATOM 811 CB LEU A 49 2.417 1.353 -5.627 1.00 0.00 C ATOM 812 CG LEU A 49 3.293 2.390 -4.923 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.543 1.987 -3.479 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.610 2.568 -5.665 1.00 0.00 C ATOM 0 H LEU A 49 0.027 0.365 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 49 1.143 0.784 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.950 0.402 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.291 1.658 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 49 2.766 3.344 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.168 2.737 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.592 1.912 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.049 1.022 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.221 3.310 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.142 1.617 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.412 2.905 -6.683 1.00 0.00 H new ATOM 826 N ARG A 50 0.331 3.164 -3.915 1.00 0.00 N ATOM 827 CA ARG A 50 -0.374 4.433 -3.785 1.00 0.00 C ATOM 828 C ARG A 50 0.607 5.579 -3.555 1.00 0.00 C ATOM 829 O ARG A 50 1.486 5.495 -2.696 1.00 0.00 O ATOM 830 CB ARG A 50 -1.378 4.367 -2.632 1.00 0.00 C ATOM 831 CG ARG A 50 -2.470 5.421 -2.715 1.00 0.00 C ATOM 832 CD ARG A 50 -3.839 4.829 -2.419 1.00 0.00 C ATOM 833 NE ARG A 50 -4.648 5.710 -1.582 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.963 5.588 -1.441 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.615 4.626 -2.080 1.00 0.00 N ATOM 836 NH2 ARG A 50 -6.629 6.430 -0.661 1.00 0.00 N ATOM 0 H ARG A 50 0.885 2.904 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.911 4.619 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.838 3.379 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.844 4.483 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.258 6.222 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.472 5.867 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.362 4.639 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.718 3.867 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.177 6.461 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.107 3.978 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.625 4.534 -1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.131 7.172 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.639 6.335 -0.553 1.00 0.00 H new ATOM 850 N LEU A 51 0.450 6.649 -4.326 1.00 0.00 N ATOM 851 CA LEU A 51 1.322 7.812 -4.208 1.00 0.00 C ATOM 852 C LEU A 51 0.526 9.051 -3.808 1.00 0.00 C ATOM 853 O LEU A 51 -0.332 9.517 -4.557 1.00 0.00 O ATOM 854 CB LEU A 51 2.051 8.065 -5.528 1.00 0.00 C ATOM 855 CG LEU A 51 3.068 7.002 -5.948 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.702 7.368 -7.281 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.134 6.832 -4.876 1.00 0.00 C ATOM 0 H LEU A 51 -0.273 6.735 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 51 2.056 7.607 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.307 8.159 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.565 9.024 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 51 2.546 6.052 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.423 6.601 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.928 7.438 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.211 8.328 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.849 6.072 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.653 7.779 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.665 6.523 -3.942 1.00 0.00 H new ATOM 869 N ARG A 52 0.819 9.579 -2.624 1.00 0.00 N ATOM 870 CA ARG A 52 0.131 10.764 -2.125 1.00 0.00 C ATOM 871 C ARG A 52 1.072 11.965 -2.093 1.00 0.00 C ATOM 872 O ARG A 52 1.931 12.070 -1.217 1.00 0.00 O ATOM 873 CB ARG A 52 -0.429 10.503 -0.726 1.00 0.00 C ATOM 874 CG ARG A 52 -1.615 11.386 -0.370 1.00 0.00 C ATOM 875 CD ARG A 52 -1.177 12.807 -0.055 1.00 0.00 C ATOM 876 NE ARG A 52 -1.638 13.243 1.261 1.00 0.00 N ATOM 877 CZ ARG A 52 -1.004 12.959 2.393 1.00 0.00 C ATOM 878 NH1 ARG A 52 0.112 12.244 2.371 1.00 0.00 N ATOM 879 NH2 ARG A 52 -1.487 13.391 3.551 1.00 0.00 N ATOM 0 H ARG A 52 1.528 9.205 -1.993 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.693 10.988 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.730 9.458 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.362 10.658 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.323 11.398 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.137 10.966 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.090 12.869 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.564 13.483 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.494 13.796 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.486 11.910 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.596 12.028 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.346 13.941 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.000 13.173 4.420 1.00 0.00 H new ATOM 893 N PHE A 53 0.903 12.868 -3.053 1.00 0.00 N ATOM 894 CA PHE A 53 1.738 14.061 -3.136 1.00 0.00 C ATOM 895 C PHE A 53 1.065 15.244 -2.446 1.00 0.00 C ATOM 896 O PHE A 53 -0.157 15.303 -2.311 1.00 0.00 O ATOM 897 CB PHE A 53 2.028 14.406 -4.598 1.00 0.00 C ATOM 898 CG PHE A 53 2.654 13.278 -5.367 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.457 12.347 -4.728 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.439 13.148 -6.730 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.034 11.307 -5.433 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.013 12.110 -7.440 1.00 0.00 C ATOM 903 CZ PHE A 53 3.812 11.189 -6.791 1.00 0.00 C ATOM 0 H PHE A 53 0.196 12.797 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 53 2.679 13.852 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.097 14.696 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.690 15.271 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.634 12.435 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.816 13.866 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.657 10.588 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.837 12.019 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.262 10.378 -7.344 1.00 0.00 H new ATOM 913 N PRO A 54 1.881 16.209 -1.998 1.00 0.00 N ATOM 914 CA PRO A 54 1.388 17.409 -1.314 1.00 0.00 C ATOM 915 C PRO A 54 0.638 18.345 -2.256 1.00 0.00 C ATOM 916 O PRO A 54 0.035 19.327 -1.820 1.00 0.00 O ATOM 917 CB PRO A 54 2.667 18.077 -0.804 1.00 0.00 C ATOM 918 CG PRO A 54 3.737 17.601 -1.724 1.00 0.00 C ATOM 919 CD PRO A 54 3.348 16.204 -2.124 1.00 0.00 C ATOM 0 HA PRO A 54 0.675 17.166 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.581 19.163 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.877 17.794 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.818 18.249 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.709 17.609 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.663 15.975 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.805 15.458 -1.474 1.00 0.00 H new ATOM 927 N HIS A 55 0.677 18.034 -3.547 1.00 0.00 N ATOM 928 CA HIS A 55 -0.001 18.848 -4.550 1.00 0.00 C ATOM 929 C HIS A 55 -1.139 18.069 -5.203 1.00 0.00 C ATOM 930 O HIS A 55 -1.477 16.968 -4.771 1.00 0.00 O ATOM 931 CB HIS A 55 0.992 19.313 -5.616 1.00 0.00 C ATOM 932 CG HIS A 55 2.080 20.191 -5.080 1.00 0.00 C ATOM 933 ND1 HIS A 55 3.299 19.884 -4.578 1.00 0.00 N flip ATOM 934 CD2 HIS A 55 1.975 21.565 -5.016 1.00 0.00 C flip ATOM 935 CE1 HIS A 55 3.903 21.066 -4.226 1.00 0.00 C flip ATOM 936 NE2 HIS A 55 3.084 22.065 -4.500 1.00 0.00 N flip ATOM 0 H HIS A 55 1.171 17.225 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.421 19.721 -4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.441 18.439 -6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.451 19.852 -6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.120 22.142 -5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.888 21.163 -3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.275 23.054 -4.340 1.00 0.00 H new ATOM 944 N GLU A 56 -1.726 18.650 -6.245 1.00 0.00 N ATOM 945 CA GLU A 56 -2.827 18.010 -6.955 1.00 0.00 C ATOM 946 C GLU A 56 -2.539 17.935 -8.452 1.00 0.00 C ATOM 947 O GLU A 56 -2.299 18.954 -9.101 1.00 0.00 O ATOM 948 CB GLU A 56 -4.131 18.773 -6.713 1.00 0.00 C ATOM 949 CG GLU A 56 -3.961 20.283 -6.708 1.00 0.00 C ATOM 950 CD GLU A 56 -5.286 21.019 -6.668 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.338 20.347 -6.695 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.271 22.267 -6.610 1.00 0.00 O ATOM 0 H GLU A 56 -1.458 19.562 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.932 16.995 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.851 18.499 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.553 18.460 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.362 20.575 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.408 20.586 -7.597 1.00 0.00 H new ATOM 959 N LEU A 57 -2.563 16.722 -8.993 1.00 0.00 N ATOM 960 CA LEU A 57 -2.304 16.513 -10.413 1.00 0.00 C ATOM 961 C LEU A 57 -3.609 16.356 -11.187 1.00 0.00 C ATOM 962 O LEU A 57 -4.693 16.371 -10.604 1.00 0.00 O ATOM 963 CB LEU A 57 -1.427 15.276 -10.614 1.00 0.00 C ATOM 964 CG LEU A 57 -0.198 15.171 -9.711 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.005 13.736 -9.251 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.041 15.681 -10.434 1.00 0.00 C ATOM 0 H LEU A 57 -2.759 15.869 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.780 17.389 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.043 14.390 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.094 15.256 -11.652 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.363 15.793 -8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.884 13.681 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.872 13.405 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.148 13.092 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.906 15.599 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.210 15.086 -11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.896 16.725 -10.713 1.00 0.00 H new ATOM 978 N ILE A 58 -3.496 16.204 -12.502 1.00 0.00 N ATOM 979 CA ILE A 58 -4.667 16.041 -13.355 1.00 0.00 C ATOM 980 C ILE A 58 -4.453 14.928 -14.376 1.00 0.00 C ATOM 981 O ILE A 58 -3.362 14.778 -14.926 1.00 0.00 O ATOM 982 CB ILE A 58 -5.007 17.346 -14.099 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.064 17.085 -15.175 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.753 17.946 -14.716 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.586 18.346 -15.827 1.00 0.00 C ATOM 0 H ILE A 58 -2.606 16.190 -13.000 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.499 15.777 -12.702 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.413 18.060 -13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.638 16.438 -15.942 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.899 16.544 -14.729 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.010 18.868 -15.238 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.029 18.163 -13.930 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.320 17.237 -15.422 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.331 18.085 -16.579 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.042 18.985 -15.071 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.762 18.878 -16.302 1.00 0.00 H new ATOM 997 N ASP A 59 -5.502 14.152 -14.625 1.00 0.00 N ATOM 998 CA ASP A 59 -5.430 13.054 -15.582 1.00 0.00 C ATOM 999 C ASP A 59 -6.033 13.462 -16.922 1.00 0.00 C ATOM 1000 O ASP A 59 -7.251 13.431 -17.102 1.00 0.00 O ATOM 1001 CB ASP A 59 -6.156 11.824 -15.035 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.639 10.900 -16.135 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.787 10.304 -16.826 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.870 10.772 -16.304 1.00 0.00 O ATOM 0 H ASP A 59 -6.412 14.263 -14.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.380 12.807 -15.736 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.487 11.276 -14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.007 12.145 -14.435 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.173 13.844 -17.860 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.621 14.258 -19.185 1.00 0.00 C ATOM 1011 C ASP A 60 -5.292 13.194 -20.227 1.00 0.00 C ATOM 1012 O ASP A 60 -4.901 12.078 -19.886 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.973 15.588 -19.573 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.085 16.141 -18.476 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -3.017 15.545 -18.219 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.456 17.171 -17.876 1.00 0.00 O ATOM 0 H ASP A 60 -4.162 13.876 -17.728 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.703 14.386 -19.152 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.383 15.451 -20.479 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.752 16.314 -19.806 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.454 13.547 -21.498 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.176 12.621 -22.589 1.00 0.00 C ATOM 1023 C GLU A 61 -3.683 12.313 -22.675 1.00 0.00 C ATOM 1024 O GLU A 61 -3.284 11.256 -23.163 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.665 13.201 -23.918 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.971 14.494 -24.310 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.564 15.120 -25.558 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.623 15.774 -25.447 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -4.971 14.955 -26.644 1.00 0.00 O ATOM 0 H GLU A 61 -5.776 14.467 -21.797 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.710 11.693 -22.387 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.511 12.463 -24.705 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.738 13.380 -23.854 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.039 15.203 -23.485 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.912 14.298 -24.475 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.865 13.246 -22.198 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.417 13.076 -22.222 1.00 0.00 C ATOM 1038 C ARG A 62 -0.978 12.009 -21.224 1.00 0.00 C ATOM 1039 O ARG A 62 -0.028 11.267 -21.471 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.722 14.402 -21.907 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.283 15.108 -20.683 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.778 16.504 -21.024 1.00 0.00 C ATOM 1043 NE ARG A 62 -0.701 17.490 -20.994 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.079 17.931 -22.081 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.425 17.477 -23.278 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.892 18.829 -21.973 1.00 0.00 N ATOM 0 H ARG A 62 -3.180 14.126 -21.791 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.131 12.752 -23.223 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.341 14.218 -21.754 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.810 15.063 -22.769 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.102 14.522 -20.267 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.514 15.171 -19.914 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.234 16.495 -22.014 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.556 16.795 -20.318 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.411 17.860 -20.089 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.171 16.787 -23.366 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.055 17.818 -24.111 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.161 19.181 -21.054 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.369 19.167 -22.809 1.00 0.00 H new ATOM 1060 N SER A 63 -1.676 11.940 -20.095 1.00 0.00 N ATOM 1061 CA SER A 63 -1.355 10.967 -19.057 1.00 0.00 C ATOM 1062 C SER A 63 -1.253 9.562 -19.642 1.00 0.00 C ATOM 1063 O SER A 63 -2.125 9.124 -20.395 1.00 0.00 O ATOM 1064 CB SER A 63 -2.416 10.997 -17.955 1.00 0.00 C ATOM 1065 OG SER A 63 -2.679 9.694 -17.464 1.00 0.00 O ATOM 0 H SER A 63 -2.467 12.546 -19.876 1.00 0.00 H new ATOM 0 HA SER A 63 -0.389 11.234 -18.629 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.079 11.635 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.336 11.435 -18.343 1.00 0.00 H new ATOM 0 HG SER A 63 -3.618 9.631 -17.190 1.00 0.00 H new ATOM 1071 N THR A 64 -0.182 8.857 -19.291 1.00 0.00 N ATOM 1072 CA THR A 64 0.036 7.502 -19.781 1.00 0.00 C ATOM 1073 C THR A 64 1.332 6.920 -19.228 1.00 0.00 C ATOM 1074 O THR A 64 2.167 7.643 -18.685 1.00 0.00 O ATOM 1075 CB THR A 64 0.084 7.463 -21.320 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.311 6.122 -21.769 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.181 8.373 -21.851 1.00 0.00 C ATOM 0 H THR A 64 0.548 9.203 -18.669 1.00 0.00 H new ATOM 0 HA THR A 64 -0.805 6.901 -19.436 1.00 0.00 H new ATOM 0 HB THR A 64 -0.875 7.816 -21.700 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.338 6.105 -22.748 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.195 8.329 -22.940 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.990 9.398 -21.532 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.145 8.046 -21.462 1.00 0.00 H new ATOM 1085 N ALA A 65 1.495 5.609 -19.372 1.00 0.00 N ATOM 1086 CA ALA A 65 2.691 4.930 -18.889 1.00 0.00 C ATOM 1087 C ALA A 65 3.315 4.072 -19.984 1.00 0.00 C ATOM 1088 O ALA A 65 2.607 3.459 -20.784 1.00 0.00 O ATOM 1089 CB ALA A 65 2.360 4.077 -17.673 1.00 0.00 C ATOM 0 H ALA A 65 0.814 4.996 -19.819 1.00 0.00 H new ATOM 0 HA ALA A 65 3.417 5.689 -18.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.263 3.576 -17.323 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.967 4.712 -16.879 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.613 3.331 -17.944 1.00 0.00 H new ATOM 1095 N GLN A 66 4.643 4.034 -20.015 1.00 0.00 N ATOM 1096 CA GLN A 66 5.362 3.252 -21.014 1.00 0.00 C ATOM 1097 C GLN A 66 6.269 2.222 -20.350 1.00 0.00 C ATOM 1098 O GLN A 66 6.997 2.537 -19.408 1.00 0.00 O ATOM 1099 CB GLN A 66 6.188 4.171 -21.915 1.00 0.00 C ATOM 1100 CG GLN A 66 5.363 5.241 -22.613 1.00 0.00 C ATOM 1101 CD GLN A 66 6.171 6.483 -22.935 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.397 6.431 -23.038 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.486 7.609 -23.096 1.00 0.00 N ATOM 0 H GLN A 66 5.243 4.535 -19.360 1.00 0.00 H new ATOM 0 HA GLN A 66 4.628 2.724 -21.622 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.961 4.653 -21.317 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.696 3.568 -22.667 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.950 4.832 -23.535 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.519 5.515 -21.979 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.470 7.606 -23.002 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.975 8.477 -23.314 1.00 0.00 H new ATOM 1112 N TYR A 67 6.220 0.990 -20.845 1.00 0.00 N ATOM 1113 CA TYR A 67 7.036 -0.087 -20.298 1.00 0.00 C ATOM 1114 C TYR A 67 8.414 -0.113 -20.952 1.00 0.00 C ATOM 1115 O TYR A 67 8.532 -0.153 -22.176 1.00 0.00 O ATOM 1116 CB TYR A 67 6.339 -1.434 -20.497 1.00 0.00 C ATOM 1117 CG TYR A 67 7.229 -2.624 -20.214 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.111 -2.617 -19.141 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.188 -3.754 -21.021 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.927 -3.701 -18.880 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.998 -4.843 -20.766 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.866 -4.812 -19.695 1.00 0.00 C ATOM 1123 OH TYR A 67 9.676 -5.894 -19.438 1.00 0.00 O ATOM 0 H TYR A 67 5.623 0.713 -21.624 1.00 0.00 H new ATOM 0 HA TYR A 67 7.164 0.094 -19.231 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.466 -1.481 -19.847 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.976 -1.498 -21.523 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.160 -1.749 -18.500 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.511 -3.781 -21.862 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.609 -3.678 -18.043 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.952 -5.715 -21.402 1.00 0.00 H new ATOM 0 HH TYR A 67 9.509 -6.593 -20.104 1.00 0.00 H new ATOM 1133 N ASP A 68 9.454 -0.092 -20.125 1.00 0.00 N ATOM 1134 CA ASP A 68 10.825 -0.115 -20.621 1.00 0.00 C ATOM 1135 C ASP A 68 11.451 -1.492 -20.423 1.00 0.00 C ATOM 1136 O ASP A 68 11.592 -1.964 -19.295 1.00 0.00 O ATOM 1137 CB ASP A 68 11.664 0.948 -19.911 1.00 0.00 C ATOM 1138 CG ASP A 68 11.924 2.160 -20.784 1.00 0.00 C ATOM 1139 OD1 ASP A 68 12.108 1.982 -22.006 1.00 0.00 O ATOM 1140 OD2 ASP A 68 11.943 3.287 -20.245 1.00 0.00 O ATOM 0 H ASP A 68 9.374 -0.059 -19.109 1.00 0.00 H new ATOM 0 HA ASP A 68 10.803 0.104 -21.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.152 1.262 -19.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.616 0.512 -19.607 1.00 0.00 H new ATOM 1145 N SER A 69 11.825 -2.130 -21.527 1.00 0.00 N ATOM 1146 CA SER A 69 12.432 -3.455 -21.475 1.00 0.00 C ATOM 1147 C SER A 69 13.937 -3.355 -21.247 1.00 0.00 C ATOM 1148 O SER A 69 14.542 -4.225 -20.619 1.00 0.00 O ATOM 1149 CB SER A 69 12.151 -4.219 -22.770 1.00 0.00 C ATOM 1150 OG SER A 69 11.031 -3.678 -23.449 1.00 0.00 O ATOM 0 H SER A 69 11.719 -1.751 -22.468 1.00 0.00 H new ATOM 0 HA SER A 69 11.991 -3.997 -20.638 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.027 -4.178 -23.417 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.970 -5.270 -22.544 1.00 0.00 H new ATOM 0 HG SER A 69 10.873 -4.183 -24.274 1.00 0.00 H new ATOM 1156 N LYS A 70 14.537 -2.287 -21.762 1.00 0.00 N ATOM 1157 CA LYS A 70 15.971 -2.069 -21.615 1.00 0.00 C ATOM 1158 C LYS A 70 16.385 -2.140 -20.149 1.00 0.00 C ATOM 1159 O LYS A 70 17.491 -2.575 -19.826 1.00 0.00 O ATOM 1160 CB LYS A 70 16.365 -0.712 -22.202 1.00 0.00 C ATOM 1161 CG LYS A 70 15.584 0.453 -21.618 1.00 0.00 C ATOM 1162 CD LYS A 70 16.319 1.087 -20.449 1.00 0.00 C ATOM 1163 CE LYS A 70 15.378 1.897 -19.572 1.00 0.00 C ATOM 1164 NZ LYS A 70 16.107 2.609 -18.485 1.00 0.00 N ATOM 0 H LYS A 70 14.052 -1.558 -22.285 1.00 0.00 H new ATOM 0 HA LYS A 70 16.490 -2.858 -22.159 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.429 -0.547 -22.032 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.215 -0.735 -23.281 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.414 1.202 -22.391 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.604 0.107 -21.288 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.795 0.309 -19.852 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.114 1.732 -20.824 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.843 2.622 -20.186 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.630 1.236 -19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.612 2.463 -17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.075 2.235 -18.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.143 3.626 -18.700 1.00 0.00 H new ATOM 1178 N ASP A 71 15.491 -1.711 -19.265 1.00 0.00 N ATOM 1179 CA ASP A 71 15.762 -1.729 -17.832 1.00 0.00 C ATOM 1180 C ASP A 71 14.673 -2.488 -17.082 1.00 0.00 C ATOM 1181 O ASP A 71 14.733 -2.633 -15.861 1.00 0.00 O ATOM 1182 CB ASP A 71 15.869 -0.301 -17.294 1.00 0.00 C ATOM 1183 CG ASP A 71 16.235 -0.262 -15.824 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.211 -0.939 -15.437 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.546 0.446 -15.060 1.00 0.00 O ATOM 0 H ASP A 71 14.572 -1.346 -19.516 1.00 0.00 H new ATOM 0 HA ASP A 71 16.711 -2.241 -17.673 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.619 0.245 -17.867 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.919 0.212 -17.443 1.00 0.00 H new ATOM 1190 N GLU A 72 13.677 -2.968 -17.820 1.00 0.00 N ATOM 1191 CA GLU A 72 12.573 -3.711 -17.223 1.00 0.00 C ATOM 1192 C GLU A 72 11.829 -2.853 -16.204 1.00 0.00 C ATOM 1193 O GLU A 72 11.220 -3.372 -15.268 1.00 0.00 O ATOM 1194 CB GLU A 72 13.090 -4.986 -16.553 1.00 0.00 C ATOM 1195 CG GLU A 72 13.846 -5.906 -17.497 1.00 0.00 C ATOM 1196 CD GLU A 72 14.805 -6.828 -16.769 1.00 0.00 C ATOM 1197 OE1 GLU A 72 14.788 -6.836 -15.520 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.572 -7.541 -17.449 1.00 0.00 O ATOM 0 H GLU A 72 13.612 -2.856 -18.832 1.00 0.00 H new ATOM 0 HA GLU A 72 11.879 -3.984 -18.018 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.744 -4.712 -15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.247 -5.530 -16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.133 -6.504 -18.064 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.402 -5.305 -18.217 1.00 0.00 H new ATOM 1205 N CYS A 73 11.883 -1.540 -16.393 1.00 0.00 N ATOM 1206 CA CYS A 73 11.216 -0.609 -15.490 1.00 0.00 C ATOM 1207 C CYS A 73 10.000 0.023 -16.162 1.00 0.00 C ATOM 1208 O CYS A 73 9.881 0.013 -17.387 1.00 0.00 O ATOM 1209 CB CYS A 73 12.188 0.482 -15.038 1.00 0.00 C ATOM 1210 SG CYS A 73 12.730 1.584 -16.365 1.00 0.00 S ATOM 0 H CYS A 73 12.382 -1.095 -17.164 1.00 0.00 H new ATOM 0 HA CYS A 73 10.878 -1.168 -14.617 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.713 1.077 -14.258 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.064 0.011 -14.591 1.00 0.00 H new ATOM 0 HG CYS A 73 13.547 2.473 -15.884 1.00 0.00 H new ATOM 1216 N ILE A 74 9.101 0.570 -15.351 1.00 0.00 N ATOM 1217 CA ILE A 74 7.895 1.205 -15.867 1.00 0.00 C ATOM 1218 C ILE A 74 7.944 2.717 -15.673 1.00 0.00 C ATOM 1219 O ILE A 74 8.281 3.204 -14.595 1.00 0.00 O ATOM 1220 CB ILE A 74 6.631 0.652 -15.183 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.625 -0.877 -15.233 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.381 1.214 -15.845 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.439 -1.436 -16.626 1.00 0.00 C ATOM 0 H ILE A 74 9.185 0.586 -14.335 1.00 0.00 H new ATOM 0 HA ILE A 74 7.850 0.979 -16.932 1.00 0.00 H new ATOM 0 HB ILE A 74 6.636 0.963 -14.138 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.564 -1.249 -14.823 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.827 -1.250 -14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.496 0.814 -15.350 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.383 2.301 -15.762 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.368 0.930 -16.897 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.445 -2.525 -16.585 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.487 -1.093 -17.031 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.251 -1.093 -17.267 1.00 0.00 H new ATOM 1235 N ASN A 75 7.603 3.454 -16.725 1.00 0.00 N ATOM 1236 CA ASN A 75 7.607 4.912 -16.671 1.00 0.00 C ATOM 1237 C ASN A 75 6.185 5.461 -16.717 1.00 0.00 C ATOM 1238 O ASN A 75 5.428 5.178 -17.646 1.00 0.00 O ATOM 1239 CB ASN A 75 8.425 5.484 -17.830 1.00 0.00 C ATOM 1240 CG ASN A 75 9.708 4.711 -18.069 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.775 5.094 -17.588 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.610 3.618 -18.816 1.00 0.00 N ATOM 0 H ASN A 75 7.320 3.066 -17.625 1.00 0.00 H new ATOM 0 HA ASN A 75 8.064 5.215 -15.729 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.822 5.471 -18.738 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.666 6.527 -17.622 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.440 3.058 -19.012 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.705 3.338 -19.194 1.00 0.00 H new ATOM 1249 N VAL A 76 5.828 6.250 -15.708 1.00 0.00 N ATOM 1250 CA VAL A 76 4.497 6.841 -15.634 1.00 0.00 C ATOM 1251 C VAL A 76 4.567 8.362 -15.710 1.00 0.00 C ATOM 1252 O VAL A 76 5.262 9.004 -14.923 1.00 0.00 O ATOM 1253 CB VAL A 76 3.775 6.437 -14.335 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.291 6.760 -14.426 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.990 4.959 -14.045 1.00 0.00 C ATOM 0 H VAL A 76 6.442 6.494 -14.931 1.00 0.00 H new ATOM 0 HA VAL A 76 3.934 6.462 -16.487 1.00 0.00 H new ATOM 0 HB VAL A 76 4.197 7.012 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.797 6.468 -13.499 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.161 7.831 -14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.850 6.214 -15.260 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.473 4.690 -13.124 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.595 4.365 -14.869 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.056 4.761 -13.934 1.00 0.00 H new ATOM 1265 N LYS A 77 3.841 8.935 -16.665 1.00 0.00 N ATOM 1266 CA LYS A 77 3.818 10.382 -16.845 1.00 0.00 C ATOM 1267 C LYS A 77 2.451 10.953 -16.481 1.00 0.00 C ATOM 1268 O LYS A 77 1.417 10.358 -16.785 1.00 0.00 O ATOM 1269 CB LYS A 77 4.165 10.742 -18.292 1.00 0.00 C ATOM 1270 CG LYS A 77 2.976 10.679 -19.236 1.00 0.00 C ATOM 1271 CD LYS A 77 2.289 12.029 -19.356 1.00 0.00 C ATOM 1272 CE LYS A 77 2.933 12.888 -20.433 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.419 12.555 -21.791 1.00 0.00 N ATOM 0 H LYS A 77 3.261 8.419 -17.326 1.00 0.00 H new ATOM 0 HA LYS A 77 4.563 10.818 -16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.585 11.747 -18.317 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.939 10.064 -18.651 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.309 10.350 -20.220 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.263 9.937 -18.876 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.234 11.882 -19.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.335 12.548 -18.399 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.742 13.940 -20.221 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.014 12.749 -20.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.289 13.430 -22.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.101 11.940 -22.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.507 12.062 -21.706 1.00 0.00 H new ATOM 1287 N VAL A 78 2.454 12.113 -15.831 1.00 0.00 N ATOM 1288 CA VAL A 78 1.214 12.766 -15.429 1.00 0.00 C ATOM 1289 C VAL A 78 1.357 14.284 -15.463 1.00 0.00 C ATOM 1290 O VAL A 78 2.314 14.840 -14.926 1.00 0.00 O ATOM 1291 CB VAL A 78 0.786 12.334 -14.014 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.912 12.571 -13.019 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.475 13.073 -13.591 1.00 0.00 C ATOM 0 H VAL A 78 3.301 12.619 -15.572 1.00 0.00 H new ATOM 0 HA VAL A 78 0.449 12.459 -16.142 1.00 0.00 H new ATOM 0 HB VAL A 78 0.567 11.266 -14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.591 12.260 -12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.787 11.993 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.166 13.631 -13.003 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.764 12.756 -12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.285 14.146 -13.591 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.281 12.847 -14.289 1.00 0.00 H new ATOM 1303 N ALA A 79 0.398 14.948 -16.100 1.00 0.00 N ATOM 1304 CA ALA A 79 0.415 16.402 -16.202 1.00 0.00 C ATOM 1305 C ALA A 79 0.016 17.051 -14.881 1.00 0.00 C ATOM 1306 O ALA A 79 -0.829 16.531 -14.152 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.511 16.863 -17.319 1.00 0.00 C ATOM 0 H ALA A 79 -0.400 14.502 -16.553 1.00 0.00 H new ATOM 0 HA ALA A 79 1.433 16.713 -16.436 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.489 17.951 -17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.180 16.436 -18.266 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.528 16.533 -17.108 1.00 0.00 H new ATOM 1313 N LYS A 80 0.631 18.188 -14.577 1.00 0.00 N ATOM 1314 CA LYS A 80 0.341 18.910 -13.343 1.00 0.00 C ATOM 1315 C LYS A 80 -0.604 20.078 -13.605 1.00 0.00 C ATOM 1316 O LYS A 80 -0.563 20.695 -14.671 1.00 0.00 O ATOM 1317 CB LYS A 80 1.637 19.420 -12.709 1.00 0.00 C ATOM 1318 CG LYS A 80 1.675 19.272 -11.198 1.00 0.00 C ATOM 1319 CD LYS A 80 1.195 20.535 -10.502 1.00 0.00 C ATOM 1320 CE LYS A 80 1.064 20.329 -9.001 1.00 0.00 C ATOM 1321 NZ LYS A 80 0.016 21.207 -8.410 1.00 0.00 N ATOM 0 H LYS A 80 1.334 18.631 -15.168 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.146 18.220 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.480 18.879 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.768 20.471 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.051 18.430 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.692 19.044 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.894 21.348 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.232 20.835 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.821 19.286 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.021 20.533 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.332 21.546 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.149 22.021 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.867 20.669 -8.302 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.452 20.378 -12.628 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.406 21.474 -12.752 1.00 0.00 C ATOM 1337 C LEU A 81 -1.703 22.764 -13.165 1.00 0.00 C ATOM 1338 O LEU A 81 -2.284 23.610 -13.843 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.147 21.684 -11.431 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.127 20.581 -11.028 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.844 20.949 -9.739 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.129 20.325 -12.144 1.00 0.00 C ATOM 0 H LEU A 81 -1.498 19.877 -11.741 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.126 21.210 -13.527 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.409 21.794 -10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.694 22.625 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.563 19.664 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.537 20.153 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.113 21.081 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.397 21.878 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.819 19.537 -11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.688 21.238 -12.347 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.599 20.016 -13.045 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.448 22.905 -12.752 1.00 0.00 N ATOM 1355 CA ASN A 82 0.336 24.091 -13.080 1.00 0.00 C ATOM 1356 C ASN A 82 1.713 23.704 -13.609 1.00 0.00 C ATOM 1357 O ASN A 82 2.373 22.818 -13.066 1.00 0.00 O ATOM 1358 CB ASN A 82 0.484 24.987 -11.848 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.774 25.019 -11.002 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -0.937 24.018 -10.145 1.00 0.00 O flip ATOM 1361 ND2 ASN A 82 -1.590 25.934 -11.118 1.00 0.00 N flip ATOM 0 H ASN A 82 0.048 22.213 -12.190 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.192 24.640 -13.860 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.317 24.632 -11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.730 26.000 -12.166 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.424 26.683 -11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.432 25.943 -10.542 1.00 0.00 H new ATOM 1368 N LYS A 83 2.142 24.375 -14.673 1.00 0.00 N ATOM 1369 CA LYS A 83 3.441 24.104 -15.277 1.00 0.00 C ATOM 1370 C LYS A 83 4.565 24.711 -14.444 1.00 0.00 C ATOM 1371 O LYS A 83 4.332 25.592 -13.618 1.00 0.00 O ATOM 1372 CB LYS A 83 3.490 24.660 -16.702 1.00 0.00 C ATOM 1373 CG LYS A 83 4.536 23.993 -17.579 1.00 0.00 C ATOM 1374 CD LYS A 83 4.159 24.066 -19.049 1.00 0.00 C ATOM 1375 CE LYS A 83 4.972 23.088 -19.883 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.223 23.604 -21.257 1.00 0.00 N ATOM 0 H LYS A 83 1.608 25.111 -15.135 1.00 0.00 H new ATOM 0 HA LYS A 83 3.580 23.023 -15.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.510 24.540 -17.164 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.693 25.730 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.502 24.475 -17.426 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.649 22.950 -17.283 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.097 23.849 -19.164 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.319 25.080 -19.417 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.924 22.894 -19.389 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.444 22.136 -19.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.780 22.908 -21.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.315 23.766 -21.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.749 24.499 -21.201 1.00 0.00 H new ATOM 1390 N ASN A 84 5.785 24.234 -14.668 1.00 0.00 N ATOM 1391 CA ASN A 84 6.946 24.731 -13.938 1.00 0.00 C ATOM 1392 C ASN A 84 6.793 24.484 -12.440 1.00 0.00 C ATOM 1393 O ASN A 84 7.462 25.120 -11.626 1.00 0.00 O ATOM 1394 CB ASN A 84 7.140 26.225 -14.203 1.00 0.00 C ATOM 1395 CG ASN A 84 8.062 26.489 -15.378 1.00 0.00 C ATOM 1396 OD1 ASN A 84 7.810 25.810 -16.491 1.00 0.00 O flip ATOM 1397 ND2 ASN A 84 8.988 27.294 -15.286 1.00 0.00 N flip ATOM 0 H ASN A 84 5.995 23.504 -15.349 1.00 0.00 H new ATOM 0 HA ASN A 84 7.824 24.190 -14.290 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.171 26.686 -14.394 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.548 26.699 -13.311 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.144 27.794 -14.411 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.599 27.462 -16.085 1.00 0.00 H new ATOM 1404 N GLU A 85 5.909 23.557 -12.086 1.00 0.00 N ATOM 1405 CA GLU A 85 5.669 23.227 -10.686 1.00 0.00 C ATOM 1406 C GLU A 85 6.521 22.037 -10.253 1.00 0.00 C ATOM 1407 O GLU A 85 6.692 21.077 -11.005 1.00 0.00 O ATOM 1408 CB GLU A 85 4.188 22.918 -10.459 1.00 0.00 C ATOM 1409 CG GLU A 85 3.831 22.688 -9.000 1.00 0.00 C ATOM 1410 CD GLU A 85 2.589 23.449 -8.577 1.00 0.00 C ATOM 1411 OE1 GLU A 85 1.579 23.389 -9.309 1.00 0.00 O ATOM 1412 OE2 GLU A 85 2.626 24.103 -7.514 1.00 0.00 O ATOM 0 H GLU A 85 5.348 23.022 -12.748 1.00 0.00 H new ATOM 0 HA GLU A 85 5.949 24.090 -10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.590 23.744 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.918 22.033 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.675 21.622 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.669 22.990 -8.372 1.00 0.00 H new ATOM 1419 N TYR A 86 7.052 22.108 -9.038 1.00 0.00 N ATOM 1420 CA TYR A 86 7.889 21.039 -8.506 1.00 0.00 C ATOM 1421 C TYR A 86 7.265 20.432 -7.253 1.00 0.00 C ATOM 1422 O TYR A 86 6.152 20.789 -6.864 1.00 0.00 O ATOM 1423 CB TYR A 86 9.288 21.568 -8.187 1.00 0.00 C ATOM 1424 CG TYR A 86 9.365 22.330 -6.883 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.764 23.575 -6.747 1.00 0.00 C ATOM 1426 CD2 TYR A 86 10.038 21.804 -5.787 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.832 24.275 -5.557 1.00 0.00 C ATOM 1428 CE2 TYR A 86 10.110 22.495 -4.594 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.506 23.731 -4.484 1.00 0.00 C ATOM 1430 OH TYR A 86 9.576 24.424 -3.297 1.00 0.00 O ATOM 0 H TYR A 86 6.918 22.895 -8.403 1.00 0.00 H new ATOM 0 HA TYR A 86 7.967 20.261 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.984 20.730 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.615 22.219 -8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.235 24.003 -7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.513 20.838 -5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.360 25.242 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.636 22.071 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 86 9.957 23.846 -2.603 1.00 0.00 H new ATOM 1440 N PHE A 87 7.990 19.512 -6.625 1.00 0.00 N ATOM 1441 CA PHE A 87 7.509 18.854 -5.416 1.00 0.00 C ATOM 1442 C PHE A 87 8.608 18.787 -4.359 1.00 0.00 C ATOM 1443 O PHE A 87 9.795 18.832 -4.681 1.00 0.00 O ATOM 1444 CB PHE A 87 7.012 17.444 -5.741 1.00 0.00 C ATOM 1445 CG PHE A 87 5.798 17.426 -6.625 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.896 17.757 -7.967 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.558 17.077 -6.114 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.781 17.740 -8.783 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.439 17.059 -6.926 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.551 17.392 -8.262 1.00 0.00 C ATOM 0 H PHE A 87 8.913 19.205 -6.933 1.00 0.00 H new ATOM 0 HA PHE A 87 6.681 19.441 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.814 16.888 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.782 16.925 -4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.855 18.032 -8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.465 16.816 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.872 17.999 -9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.478 16.785 -6.516 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.678 17.380 -8.898 1.00 0.00 H new ATOM 1460 N GLU A 88 8.203 18.681 -3.098 1.00 0.00 N ATOM 1461 CA GLU A 88 9.153 18.609 -1.994 1.00 0.00 C ATOM 1462 C GLU A 88 8.941 17.339 -1.176 1.00 0.00 C ATOM 1463 O GLU A 88 9.525 17.174 -0.104 1.00 0.00 O ATOM 1464 CB GLU A 88 9.015 19.838 -1.093 1.00 0.00 C ATOM 1465 CG GLU A 88 9.160 21.156 -1.835 1.00 0.00 C ATOM 1466 CD GLU A 88 8.466 22.304 -1.127 1.00 0.00 C ATOM 1467 OE1 GLU A 88 7.220 22.285 -1.048 1.00 0.00 O ATOM 1468 OE2 GLU A 88 9.168 23.220 -0.652 1.00 0.00 O ATOM 0 H GLU A 88 7.224 18.643 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 88 10.158 18.586 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.042 19.812 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.769 19.788 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.218 21.390 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.748 21.051 -2.839 1.00 0.00 H new ATOM 1475 N ASP A 89 8.103 16.445 -1.688 1.00 0.00 N ATOM 1476 CA ASP A 89 7.814 15.189 -1.006 1.00 0.00 C ATOM 1477 C ASP A 89 8.242 13.998 -1.857 1.00 0.00 C ATOM 1478 O ASP A 89 8.332 12.871 -1.366 1.00 0.00 O ATOM 1479 CB ASP A 89 6.322 15.091 -0.683 1.00 0.00 C ATOM 1480 CG ASP A 89 5.914 16.008 0.452 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.519 17.093 0.586 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.988 15.643 1.207 1.00 0.00 O ATOM 0 H ASP A 89 7.612 16.567 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 89 8.381 15.170 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.744 15.340 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.077 14.062 -0.421 1.00 0.00 H new ATOM 1487 N LEU A 90 8.505 14.253 -3.134 1.00 0.00 N ATOM 1488 CA LEU A 90 8.923 13.201 -4.054 1.00 0.00 C ATOM 1489 C LEU A 90 10.272 12.621 -3.641 1.00 0.00 C ATOM 1490 O LEU A 90 10.670 11.554 -4.109 1.00 0.00 O ATOM 1491 CB LEU A 90 9.005 13.748 -5.480 1.00 0.00 C ATOM 1492 CG LEU A 90 7.737 13.614 -6.324 1.00 0.00 C ATOM 1493 CD1 LEU A 90 6.543 14.203 -5.590 1.00 0.00 C ATOM 1494 CD2 LEU A 90 7.921 14.290 -7.675 1.00 0.00 C ATOM 0 H LEU A 90 8.436 15.179 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 90 8.180 12.404 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.273 14.803 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.817 13.238 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 90 7.547 12.554 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.650 14.099 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.398 13.674 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.724 15.259 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.009 14.184 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.136 15.348 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.750 13.822 -8.206 1.00 0.00 H new ATOM 1506 N ASP A 91 10.971 13.330 -2.761 1.00 0.00 N ATOM 1507 CA ASP A 91 12.274 12.884 -2.282 1.00 0.00 C ATOM 1508 C ASP A 91 12.121 11.779 -1.241 1.00 0.00 C ATOM 1509 O ASP A 91 13.025 10.964 -1.049 1.00 0.00 O ATOM 1510 CB ASP A 91 13.051 14.059 -1.687 1.00 0.00 C ATOM 1511 CG ASP A 91 13.522 15.038 -2.744 1.00 0.00 C ATOM 1512 OD1 ASP A 91 12.922 15.061 -3.839 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.490 15.780 -2.478 1.00 0.00 O ATOM 0 H ASP A 91 10.657 14.216 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 91 12.829 12.484 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.420 14.581 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.913 13.680 -1.138 1.00 0.00 H new ATOM 1518 N LEU A 92 10.974 11.758 -0.572 1.00 0.00 N ATOM 1519 CA LEU A 92 10.703 10.754 0.450 1.00 0.00 C ATOM 1520 C LEU A 92 9.620 9.784 -0.012 1.00 0.00 C ATOM 1521 O LEU A 92 8.475 10.165 -0.255 1.00 0.00 O ATOM 1522 CB LEU A 92 10.277 11.428 1.755 1.00 0.00 C ATOM 1523 CG LEU A 92 11.128 12.615 2.207 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.600 12.352 1.929 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.673 13.892 1.516 1.00 0.00 C ATOM 0 H LEU A 92 10.216 12.425 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 92 11.620 10.190 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.247 11.766 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.285 10.679 2.547 1.00 0.00 H new ATOM 0 HG LEU A 92 10.999 12.742 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.191 13.207 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.919 11.461 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.747 12.198 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.290 14.726 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.772 13.777 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.630 14.089 1.766 1.00 0.00 H new ATOM 1537 N PRO A 93 9.988 8.500 -0.135 1.00 0.00 N ATOM 1538 CA PRO A 93 9.061 7.449 -0.566 1.00 0.00 C ATOM 1539 C PRO A 93 7.999 7.146 0.485 1.00 0.00 C ATOM 1540 O PRO A 93 6.846 6.868 0.155 1.00 0.00 O ATOM 1541 CB PRO A 93 9.972 6.236 -0.772 1.00 0.00 C ATOM 1542 CG PRO A 93 11.141 6.485 0.118 1.00 0.00 C ATOM 1543 CD PRO A 93 11.337 7.976 0.137 1.00 0.00 C ATOM 0 HA PRO A 93 8.504 7.737 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.463 5.309 -0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.280 6.144 -1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.956 6.103 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.031 5.979 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.715 8.320 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.053 8.297 -0.620 1.00 0.00 H new ATOM 1551 N THR A 94 8.395 7.202 1.753 1.00 0.00 N ATOM 1552 CA THR A 94 7.477 6.933 2.852 1.00 0.00 C ATOM 1553 C THR A 94 6.383 7.992 2.928 1.00 0.00 C ATOM 1554 O THR A 94 5.237 7.693 3.262 1.00 0.00 O ATOM 1555 CB THR A 94 8.218 6.879 4.202 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.080 8.014 4.333 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.033 5.600 4.321 1.00 0.00 C ATOM 0 H THR A 94 9.345 7.431 2.044 1.00 0.00 H new ATOM 0 HA THR A 94 7.024 5.961 2.654 1.00 0.00 H new ATOM 0 HB THR A 94 7.476 6.893 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.546 7.973 5.194 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.547 5.584 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.370 4.738 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.767 5.560 3.516 1.00 0.00 H new ATOM 1565 N LYS A 95 6.744 9.232 2.614 1.00 0.00 N ATOM 1566 CA LYS A 95 5.794 10.337 2.645 1.00 0.00 C ATOM 1567 C LYS A 95 4.644 10.092 1.673 1.00 0.00 C ATOM 1568 O LYS A 95 3.572 10.685 1.801 1.00 0.00 O ATOM 1569 CB LYS A 95 6.497 11.651 2.299 1.00 0.00 C ATOM 1570 CG LYS A 95 7.076 12.367 3.506 1.00 0.00 C ATOM 1571 CD LYS A 95 8.028 11.472 4.282 1.00 0.00 C ATOM 1572 CE LYS A 95 9.071 12.286 5.033 1.00 0.00 C ATOM 1573 NZ LYS A 95 10.256 11.463 5.402 1.00 0.00 N ATOM 0 H LYS A 95 7.689 9.496 2.335 1.00 0.00 H new ATOM 0 HA LYS A 95 5.386 10.405 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.298 11.448 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.788 12.312 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.603 13.264 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.267 12.692 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.463 10.863 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.525 10.786 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.390 13.126 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.625 12.705 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.121 12.027 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.174 11.161 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.302 10.625 4.788 1.00 0.00 H new ATOM 1587 N LEU A 96 4.873 9.215 0.702 1.00 0.00 N ATOM 1588 CA LEU A 96 3.855 8.890 -0.292 1.00 0.00 C ATOM 1589 C LEU A 96 2.954 7.761 0.200 1.00 0.00 C ATOM 1590 O LEU A 96 1.732 7.822 0.059 1.00 0.00 O ATOM 1591 CB LEU A 96 4.513 8.493 -1.614 1.00 0.00 C ATOM 1592 CG LEU A 96 5.802 9.234 -1.971 1.00 0.00 C ATOM 1593 CD1 LEU A 96 6.590 8.461 -3.018 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.491 10.639 -2.466 1.00 0.00 C ATOM 0 H LEU A 96 5.754 8.716 0.581 1.00 0.00 H new ATOM 0 HA LEU A 96 3.241 9.777 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.728 7.425 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.793 8.650 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 96 6.413 9.314 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.504 9.004 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.845 7.476 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.986 8.349 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.420 11.151 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.860 10.581 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.970 11.193 -1.685 1.00 0.00 H new ATOM 1606 N LEU A 97 3.566 6.734 0.779 1.00 0.00 N ATOM 1607 CA LEU A 97 2.819 5.591 1.294 1.00 0.00 C ATOM 1608 C LEU A 97 1.838 6.026 2.378 1.00 0.00 C ATOM 1609 O LEU A 97 0.822 5.371 2.608 1.00 0.00 O ATOM 1610 CB LEU A 97 3.779 4.539 1.852 1.00 0.00 C ATOM 1611 CG LEU A 97 4.350 3.547 0.838 1.00 0.00 C ATOM 1612 CD1 LEU A 97 3.231 2.771 0.162 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.201 4.271 -0.195 1.00 0.00 C ATOM 0 H LEU A 97 4.576 6.669 0.904 1.00 0.00 H new ATOM 0 HA LEU A 97 2.253 5.157 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.610 5.054 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.259 3.977 2.628 1.00 0.00 H new ATOM 0 HG LEU A 97 4.985 2.838 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.657 2.070 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.664 2.221 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.569 3.465 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.599 3.550 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.589 5.003 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.025 4.780 0.305 1.00 0.00 H new