USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 66 GLN : amide:sc= 0 K(o=-0.71,f=-1.2) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.705 K(o=-0.71,f=-1.6) USER MOD Set 2.1: A 47 SER OG : rot 130:sc= 0.671 USER MOD Set 2.2: A 64 THR OG1 : rot 120:sc= 0.0646 USER MOD Set 2.3: A 98 GLN : amide:sc= 0.468 X(o=1.2,f=1) USER MOD Single : A 2 ASN :FLIP amide:sc= 0.775 F(o=-0.19,f=0.77) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= 0.196 K(o=0.2,f=-5!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 28 SER OG : rot -168:sc= 1.31 USER MOD Single : A 32 CYS SG : rot 22:sc= 0.0696 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.000156 X(o=-0.00016,f=-0.00016) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.51) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 58 HIS : no HE2:sc= -0.374 K(o=-0.37,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= 0.943 K(o=0.94,f=-0.059) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= 0.321 F(o=-2.2!,f=0.32) USER MOD Single : A 74 LYS NZ :NH3+ -136:sc= 0.376 (180deg=0.00197) USER MOD Single : A 80 CYS SG : rot -130:sc= 0 USER MOD Single : A 83 SER OG : rot -161:sc= 1.33 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -40:sc= 1.04 USER MOD Single : A 97 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.23) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 104:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 5.410 -19.331 -10.672 1.00 1.00 N ATOM 18 CA ASN A 2 4.521 -18.516 -9.902 1.00 1.00 C ATOM 19 C ASN A 2 5.096 -17.519 -8.957 1.00 1.00 C ATOM 20 O ASN A 2 5.021 -16.314 -9.197 1.00 1.00 O ATOM 21 CB ASN A 2 3.480 -19.382 -9.172 1.00 1.00 C ATOM 22 CG ASN A 2 2.578 -20.115 -10.155 1.00 1.00 C ATOM 23 OD1 ASN A 2 1.256 -20.165 -9.841 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 2.999 -20.644 -11.183 1.00 1.00 N flip ATOM 0 HA ASN A 2 4.074 -17.890 -10.674 1.00 1.00 H new ATOM 0 HB2 ASN A 2 3.989 -20.105 -8.534 1.00 1.00 H new ATOM 0 HB3 ASN A 2 2.874 -18.753 -8.520 1.00 1.00 H new ATOM 0 HD21 ASN A 2 3.993 -20.600 -11.409 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.354 -21.126 -11.809 1.00 1.00 H new ATOM 31 N ASP A 3 5.713 -17.949 -7.843 1.00 1.00 N ATOM 32 CA ASP A 3 6.228 -17.084 -6.827 1.00 1.00 C ATOM 33 C ASP A 3 7.447 -16.330 -7.230 1.00 1.00 C ATOM 34 O ASP A 3 7.730 -15.245 -6.725 1.00 1.00 O ATOM 35 CB ASP A 3 6.456 -17.878 -5.528 1.00 1.00 C ATOM 36 CG ASP A 3 7.453 -19.015 -5.696 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.170 -19.969 -6.468 1.00 1.00 O ATOM 38 OD2 ASP A 3 8.535 -18.968 -5.052 1.00 1.00 O ATOM 0 H ASP A 3 5.859 -18.938 -7.641 1.00 1.00 H new ATOM 0 HA ASP A 3 5.471 -16.318 -6.656 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.813 -17.201 -4.752 1.00 1.00 H new ATOM 0 HB3 ASP A 3 5.504 -18.284 -5.184 1.00 1.00 H new ATOM 43 N SER A 4 8.217 -16.868 -8.194 1.00 1.00 N ATOM 44 CA SER A 4 9.373 -16.245 -8.760 1.00 1.00 C ATOM 45 C SER A 4 8.973 -15.096 -9.621 1.00 1.00 C ATOM 46 O SER A 4 9.403 -13.965 -9.402 1.00 1.00 O ATOM 47 CB SER A 4 10.252 -17.211 -9.570 1.00 1.00 C ATOM 48 OG SER A 4 10.638 -18.324 -8.777 1.00 1.00 O ATOM 0 H SER A 4 8.023 -17.784 -8.598 1.00 1.00 H new ATOM 0 HA SER A 4 9.972 -15.897 -7.919 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.707 -17.556 -10.449 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.139 -16.689 -9.929 1.00 1.00 H new ATOM 0 HG SER A 4 11.195 -18.928 -9.311 1.00 1.00 H new ATOM 54 N GLU A 5 8.071 -15.336 -10.590 1.00 1.00 N ATOM 55 CA GLU A 5 7.487 -14.372 -11.469 1.00 1.00 C ATOM 56 C GLU A 5 6.779 -13.272 -10.758 1.00 1.00 C ATOM 57 O GLU A 5 7.049 -12.094 -10.986 1.00 1.00 O ATOM 58 CB GLU A 5 6.521 -15.059 -12.450 1.00 1.00 C ATOM 59 CG GLU A 5 7.242 -15.939 -13.474 1.00 1.00 C ATOM 60 CD GLU A 5 8.037 -15.099 -14.463 1.00 1.00 C ATOM 61 OE1 GLU A 5 7.396 -14.408 -15.300 1.00 1.00 O ATOM 62 OE2 GLU A 5 9.297 -15.139 -14.438 1.00 1.00 O ATOM 0 H GLU A 5 7.725 -16.278 -10.771 1.00 1.00 H new ATOM 0 HA GLU A 5 8.315 -13.916 -12.011 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.813 -15.668 -11.889 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.942 -14.299 -12.975 1.00 1.00 H new ATOM 0 HG2 GLU A 5 7.911 -16.627 -12.958 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.514 -16.546 -14.012 1.00 1.00 H new ATOM 69 N PHE A 6 5.875 -13.616 -9.823 1.00 1.00 N ATOM 70 CA PHE A 6 5.231 -12.673 -8.960 1.00 1.00 C ATOM 71 C PHE A 6 6.156 -11.830 -8.154 1.00 1.00 C ATOM 72 O PHE A 6 5.940 -10.624 -8.039 1.00 1.00 O ATOM 73 CB PHE A 6 4.188 -13.412 -8.105 1.00 1.00 C ATOM 74 CG PHE A 6 3.216 -12.503 -7.435 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.710 -11.383 -8.051 1.00 1.00 C ATOM 76 CD2 PHE A 6 2.789 -12.815 -6.165 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.847 -10.542 -7.390 1.00 1.00 C ATOM 78 CE2 PHE A 6 1.911 -11.992 -5.499 1.00 1.00 C ATOM 79 CZ PHE A 6 1.458 -10.845 -6.105 1.00 1.00 C ATOM 0 H PHE A 6 5.583 -14.580 -9.662 1.00 1.00 H new ATOM 0 HA PHE A 6 4.729 -11.941 -9.592 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.642 -14.112 -8.737 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.703 -14.002 -7.347 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.995 -11.161 -9.069 1.00 1.00 H new ATOM 0 HD2 PHE A 6 3.147 -13.715 -5.686 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.477 -9.651 -7.875 1.00 1.00 H new ATOM 0 HE2 PHE A 6 1.579 -12.246 -4.503 1.00 1.00 H new ATOM 0 HZ PHE A 6 0.795 -10.180 -5.572 1.00 1.00 H new ATOM 89 N HIS A 7 7.267 -12.360 -7.610 1.00 1.00 N ATOM 90 CA HIS A 7 8.225 -11.516 -6.965 1.00 1.00 C ATOM 91 C HIS A 7 8.957 -10.587 -7.871 1.00 1.00 C ATOM 92 O HIS A 7 9.153 -9.435 -7.491 1.00 1.00 O ATOM 93 CB HIS A 7 9.173 -12.199 -5.966 1.00 1.00 C ATOM 94 CG HIS A 7 10.530 -12.637 -6.431 1.00 1.00 C ATOM 95 ND1 HIS A 7 11.550 -11.760 -6.687 1.00 1.00 N ATOM 96 CD2 HIS A 7 11.041 -13.889 -6.585 1.00 1.00 C ATOM 97 CE1 HIS A 7 12.634 -12.444 -7.004 1.00 1.00 C ATOM 98 NE2 HIS A 7 12.352 -13.732 -6.950 1.00 1.00 N ATOM 0 H HIS A 7 7.499 -13.353 -7.616 1.00 1.00 H new ATOM 0 HA HIS A 7 7.568 -10.900 -6.351 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.317 -11.515 -5.130 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.660 -13.078 -5.575 1.00 1.00 H new ATOM 0 HD1 HIS A 7 11.483 -10.743 -6.640 1.00 1.00 H new ATOM 0 HD2 HIS A 7 10.516 -14.823 -6.447 1.00 1.00 H new ATOM 0 HE1 HIS A 7 13.592 -12.020 -7.264 1.00 1.00 H new ATOM 106 N ARG A 8 9.371 -11.007 -9.081 1.00 1.00 N ATOM 107 CA ARG A 8 10.043 -10.199 -10.050 1.00 1.00 C ATOM 108 C ARG A 8 9.292 -8.971 -10.435 1.00 1.00 C ATOM 109 O ARG A 8 9.790 -7.851 -10.349 1.00 1.00 O ATOM 110 CB ARG A 8 10.275 -10.976 -11.357 1.00 1.00 C ATOM 111 CG ARG A 8 11.335 -12.078 -11.297 1.00 1.00 C ATOM 112 CD ARG A 8 11.247 -12.962 -12.545 1.00 1.00 C ATOM 113 NE ARG A 8 12.441 -13.854 -12.551 1.00 1.00 N ATOM 114 CZ ARG A 8 12.844 -14.499 -13.684 1.00 1.00 C ATOM 115 NH1 ARG A 8 12.002 -14.749 -14.728 1.00 1.00 N ATOM 116 NH2 ARG A 8 14.152 -14.884 -13.752 1.00 1.00 N ATOM 0 H ARG A 8 9.228 -11.965 -9.400 1.00 1.00 H new ATOM 0 HA ARG A 8 10.977 -9.920 -9.562 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.330 -11.423 -11.664 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.559 -10.266 -12.134 1.00 1.00 H new ATOM 0 HG2 ARG A 8 12.328 -11.634 -11.225 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.191 -12.683 -10.402 1.00 1.00 H new ATOM 0 HD2 ARG A 8 10.330 -13.550 -12.533 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.222 -12.350 -13.447 1.00 1.00 H new ATOM 0 HE ARG A 8 12.969 -13.985 -11.688 1.00 1.00 H new ATOM 0 HH11 ARG A 8 11.028 -14.450 -14.680 1.00 1.00 H new ATOM 0 HH12 ARG A 8 12.347 -15.235 -15.556 1.00 1.00 H new ATOM 0 HH21 ARG A 8 14.783 -14.686 -12.975 1.00 1.00 H new ATOM 0 HH22 ARG A 8 14.498 -15.369 -14.580 1.00 1.00 H new ATOM 130 N LEU A 9 8.028 -9.146 -10.862 1.00 1.00 N ATOM 131 CA LEU A 9 7.146 -8.077 -11.210 1.00 1.00 C ATOM 132 C LEU A 9 6.857 -7.169 -10.065 1.00 1.00 C ATOM 133 O LEU A 9 6.922 -5.946 -10.192 1.00 1.00 O ATOM 134 CB LEU A 9 5.905 -8.700 -11.875 1.00 1.00 C ATOM 135 CG LEU A 9 4.879 -9.521 -11.074 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.911 -8.683 -10.223 1.00 1.00 C ATOM 137 CD2 LEU A 9 4.072 -10.367 -12.074 1.00 1.00 C ATOM 0 H LEU A 9 7.605 -10.068 -10.969 1.00 1.00 H new ATOM 0 HA LEU A 9 7.619 -7.406 -11.927 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.357 -7.884 -12.345 1.00 1.00 H new ATOM 0 HB3 LEU A 9 6.267 -9.344 -12.676 1.00 1.00 H new ATOM 0 HG LEU A 9 5.440 -10.129 -10.364 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.225 -9.345 -9.694 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.477 -8.095 -9.501 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.343 -8.014 -10.870 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.334 -10.962 -11.535 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.563 -9.710 -12.779 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.746 -11.030 -12.617 1.00 1.00 H new ATOM 149 N ALA A 10 6.630 -7.766 -8.882 1.00 1.00 N ATOM 150 CA ALA A 10 6.484 -7.082 -7.634 1.00 1.00 C ATOM 151 C ALA A 10 7.646 -6.222 -7.275 1.00 1.00 C ATOM 152 O ALA A 10 7.460 -5.052 -6.944 1.00 1.00 O ATOM 153 CB ALA A 10 6.114 -8.029 -6.479 1.00 1.00 C ATOM 0 H ALA A 10 6.544 -8.778 -8.791 1.00 1.00 H new ATOM 0 HA ALA A 10 5.643 -6.406 -7.790 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.016 -7.457 -5.556 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.168 -8.523 -6.702 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.895 -8.779 -6.359 1.00 1.00 H new ATOM 159 N ASP A 11 8.894 -6.710 -7.385 1.00 1.00 N ATOM 160 CA ASP A 11 10.097 -5.974 -7.148 1.00 1.00 C ATOM 161 C ASP A 11 10.231 -4.777 -8.024 1.00 1.00 C ATOM 162 O ASP A 11 10.620 -3.707 -7.561 1.00 1.00 O ATOM 163 CB ASP A 11 11.329 -6.883 -7.291 1.00 1.00 C ATOM 164 CG ASP A 11 11.505 -7.860 -6.138 1.00 1.00 C ATOM 165 OD1 ASP A 11 11.379 -7.449 -4.953 1.00 1.00 O ATOM 166 OD2 ASP A 11 11.829 -9.053 -6.382 1.00 1.00 O ATOM 0 H ASP A 11 9.074 -7.677 -7.656 1.00 1.00 H new ATOM 0 HA ASP A 11 10.037 -5.608 -6.123 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.250 -7.444 -8.222 1.00 1.00 H new ATOM 0 HB3 ASP A 11 12.221 -6.262 -7.368 1.00 1.00 H new ATOM 171 N GLN A 12 9.896 -4.858 -9.324 1.00 1.00 N ATOM 172 CA GLN A 12 9.922 -3.701 -10.165 1.00 1.00 C ATOM 173 C GLN A 12 8.859 -2.688 -9.910 1.00 1.00 C ATOM 174 O GLN A 12 9.122 -1.488 -9.937 1.00 1.00 O ATOM 175 CB GLN A 12 10.060 -4.000 -11.667 1.00 1.00 C ATOM 176 CG GLN A 12 8.878 -4.703 -12.335 1.00 1.00 C ATOM 177 CD GLN A 12 9.146 -4.946 -13.815 1.00 1.00 C ATOM 178 OE1 GLN A 12 10.214 -5.420 -14.199 1.00 1.00 O ATOM 179 NE2 GLN A 12 8.157 -4.623 -14.690 1.00 1.00 N ATOM 0 H GLN A 12 9.609 -5.718 -9.791 1.00 1.00 H new ATOM 0 HA GLN A 12 10.853 -3.231 -9.849 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.235 -3.058 -12.187 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.949 -4.614 -11.812 1.00 1.00 H new ATOM 0 HG2 GLN A 12 8.688 -5.653 -11.836 1.00 1.00 H new ATOM 0 HG3 GLN A 12 7.979 -4.097 -12.220 1.00 1.00 H new ATOM 0 HE21 GLN A 12 7.280 -4.231 -14.347 1.00 1.00 H new ATOM 0 HE22 GLN A 12 8.292 -4.773 -15.690 1.00 1.00 H new ATOM 188 N LEU A 13 7.608 -3.078 -9.613 1.00 1.00 N ATOM 189 CA LEU A 13 6.581 -2.145 -9.261 1.00 1.00 C ATOM 190 C LEU A 13 6.735 -1.558 -7.900 1.00 1.00 C ATOM 191 O LEU A 13 6.470 -0.371 -7.723 1.00 1.00 O ATOM 192 CB LEU A 13 5.177 -2.718 -9.515 1.00 1.00 C ATOM 193 CG LEU A 13 4.770 -4.038 -8.840 1.00 1.00 C ATOM 194 CD1 LEU A 13 4.148 -3.837 -7.448 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.797 -4.815 -9.743 1.00 1.00 C ATOM 0 H LEU A 13 7.304 -4.052 -9.617 1.00 1.00 H new ATOM 0 HA LEU A 13 6.705 -1.298 -9.936 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.454 -1.960 -9.214 1.00 1.00 H new ATOM 0 HB3 LEU A 13 5.068 -2.853 -10.591 1.00 1.00 H new ATOM 0 HG LEU A 13 5.686 -4.612 -8.697 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.882 -4.806 -7.025 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.867 -3.341 -6.796 1.00 1.00 H new ATOM 0 HD13 LEU A 13 3.253 -3.221 -7.535 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.515 -5.748 -9.256 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.905 -4.214 -9.919 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.281 -5.034 -10.695 1.00 1.00 H new ATOM 207 N TRP A 14 7.243 -2.315 -6.911 1.00 1.00 N ATOM 208 CA TRP A 14 7.707 -1.848 -5.642 1.00 1.00 C ATOM 209 C TRP A 14 8.687 -0.733 -5.770 1.00 1.00 C ATOM 210 O TRP A 14 8.529 0.325 -5.162 1.00 1.00 O ATOM 211 CB TRP A 14 8.416 -2.929 -4.808 1.00 1.00 C ATOM 212 CG TRP A 14 7.690 -4.058 -4.117 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.345 -5.112 -3.547 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.297 -4.247 -3.801 1.00 1.00 C ATOM 215 NE1 TRP A 14 7.474 -5.908 -2.851 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.209 -5.384 -2.988 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.169 -3.544 -4.125 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.011 -5.797 -2.478 1.00 1.00 C ATOM 219 CZ3 TRP A 14 3.961 -3.990 -3.643 1.00 1.00 C ATOM 220 CH2 TRP A 14 3.882 -5.093 -2.825 1.00 1.00 C ATOM 0 H TRP A 14 7.335 -3.326 -7.007 1.00 1.00 H new ATOM 0 HA TRP A 14 6.792 -1.524 -5.145 1.00 1.00 H new ATOM 0 HB2 TRP A 14 9.149 -3.394 -5.467 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.973 -2.402 -4.033 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.406 -5.293 -3.633 1.00 1.00 H new ATOM 0 HE1 TRP A 14 7.721 -6.745 -2.322 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.226 -2.661 -4.744 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 4.952 -6.652 -1.821 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.057 -3.464 -3.912 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.920 -5.410 -2.450 1.00 1.00 H new ATOM 231 N LEU A 15 9.742 -0.922 -6.582 1.00 1.00 N ATOM 232 CA LEU A 15 10.716 0.076 -6.894 1.00 1.00 C ATOM 233 C LEU A 15 10.140 1.297 -7.523 1.00 1.00 C ATOM 234 O LEU A 15 10.434 2.420 -7.118 1.00 1.00 O ATOM 235 CB LEU A 15 11.796 -0.539 -7.800 1.00 1.00 C ATOM 236 CG LEU A 15 12.952 0.396 -8.194 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.689 0.948 -6.962 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.945 -0.341 -9.107 1.00 1.00 C ATOM 0 H LEU A 15 9.924 -1.814 -7.043 1.00 1.00 H new ATOM 0 HA LEU A 15 11.151 0.407 -5.951 1.00 1.00 H new ATOM 0 HB2 LEU A 15 12.214 -1.410 -7.295 1.00 1.00 H new ATOM 0 HB3 LEU A 15 11.318 -0.898 -8.711 1.00 1.00 H new ATOM 0 HG LEU A 15 12.519 1.240 -8.731 1.00 1.00 H new ATOM 0 HD11 LEU A 15 14.498 1.603 -7.285 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.991 1.511 -6.343 1.00 1.00 H new ATOM 0 HD13 LEU A 15 14.101 0.121 -6.384 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.758 0.332 -9.378 1.00 1.00 H new ATOM 0 HD22 LEU A 15 14.350 -1.206 -8.581 1.00 1.00 H new ATOM 0 HD23 LEU A 15 13.432 -0.673 -10.010 1.00 1.00 H new ATOM 250 N THR A 16 9.249 1.113 -8.515 1.00 1.00 N ATOM 251 CA THR A 16 8.523 2.146 -9.187 1.00 1.00 C ATOM 252 C THR A 16 7.718 2.992 -8.260 1.00 1.00 C ATOM 253 O THR A 16 7.948 4.197 -8.172 1.00 1.00 O ATOM 254 CB THR A 16 7.631 1.632 -10.276 1.00 1.00 C ATOM 255 OG1 THR A 16 8.390 0.893 -11.221 1.00 1.00 O ATOM 256 CG2 THR A 16 6.968 2.781 -11.055 1.00 1.00 C ATOM 0 H THR A 16 9.022 0.184 -8.869 1.00 1.00 H new ATOM 0 HA THR A 16 9.300 2.762 -9.639 1.00 1.00 H new ATOM 0 HB THR A 16 6.873 1.015 -9.793 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.675 0.045 -10.820 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.329 2.370 -11.836 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.367 3.383 -10.374 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.738 3.406 -11.508 1.00 1.00 H new ATOM 264 N ILE A 17 6.765 2.412 -7.508 1.00 1.00 N ATOM 265 CA ILE A 17 6.011 3.032 -6.463 1.00 1.00 C ATOM 266 C ILE A 17 6.828 3.758 -5.450 1.00 1.00 C ATOM 267 O ILE A 17 6.507 4.901 -5.125 1.00 1.00 O ATOM 268 CB ILE A 17 5.067 2.046 -5.841 1.00 1.00 C ATOM 269 CG1 ILE A 17 4.044 1.550 -6.878 1.00 1.00 C ATOM 270 CG2 ILE A 17 4.323 2.648 -4.639 1.00 1.00 C ATOM 271 CD1 ILE A 17 3.282 0.302 -6.436 1.00 1.00 C ATOM 0 H ILE A 17 6.503 1.435 -7.642 1.00 1.00 H new ATOM 0 HA ILE A 17 5.428 3.821 -6.938 1.00 1.00 H new ATOM 0 HB ILE A 17 5.667 1.207 -5.488 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.330 2.348 -7.083 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.561 1.337 -7.814 1.00 1.00 H new ATOM 0 HG21 ILE A 17 3.649 1.902 -4.217 1.00 1.00 H new ATOM 0 HG22 ILE A 17 5.044 2.955 -3.882 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.747 3.514 -4.964 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.579 0.010 -7.216 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.986 -0.511 -6.259 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.736 0.515 -5.517 1.00 1.00 H new ATOM 283 N GLU A 18 7.937 3.200 -4.932 1.00 1.00 N ATOM 284 CA GLU A 18 8.843 3.878 -4.058 1.00 1.00 C ATOM 285 C GLU A 18 9.371 5.148 -4.632 1.00 1.00 C ATOM 286 O GLU A 18 9.100 6.234 -4.120 1.00 1.00 O ATOM 287 CB GLU A 18 10.040 2.975 -3.718 1.00 1.00 C ATOM 288 CG GLU A 18 9.907 2.092 -2.475 1.00 1.00 C ATOM 289 CD GLU A 18 11.278 1.623 -2.009 1.00 1.00 C ATOM 290 OE1 GLU A 18 12.103 2.488 -1.610 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.585 0.404 -2.099 1.00 1.00 O ATOM 0 H GLU A 18 8.213 2.238 -5.130 1.00 1.00 H new ATOM 0 HA GLU A 18 8.268 4.119 -3.164 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.232 2.329 -4.575 1.00 1.00 H new ATOM 0 HB3 GLU A 18 10.918 3.608 -3.593 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.415 2.648 -1.677 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.277 1.231 -2.698 1.00 1.00 H new ATOM 298 N GLU A 19 10.128 5.073 -5.740 1.00 1.00 N ATOM 299 CA GLU A 19 10.785 6.181 -6.361 1.00 1.00 C ATOM 300 C GLU A 19 9.851 7.228 -6.862 1.00 1.00 C ATOM 301 O GLU A 19 10.039 8.419 -6.623 1.00 1.00 O ATOM 302 CB GLU A 19 11.697 5.723 -7.513 1.00 1.00 C ATOM 303 CG GLU A 19 12.900 4.893 -7.064 1.00 1.00 C ATOM 304 CD GLU A 19 13.896 4.563 -8.167 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.621 4.790 -9.376 1.00 1.00 O ATOM 306 OE2 GLU A 19 15.007 4.080 -7.821 1.00 1.00 O ATOM 0 H GLU A 19 10.290 4.193 -6.229 1.00 1.00 H new ATOM 0 HA GLU A 19 11.385 6.630 -5.570 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.107 5.137 -8.218 1.00 1.00 H new ATOM 0 HB3 GLU A 19 12.055 6.601 -8.050 1.00 1.00 H new ATOM 0 HG2 GLU A 19 13.421 5.433 -6.273 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.539 3.961 -6.629 1.00 1.00 H new ATOM 313 N ARG A 20 8.782 6.815 -7.568 1.00 1.00 N ATOM 314 CA ARG A 20 7.854 7.692 -8.212 1.00 1.00 C ATOM 315 C ARG A 20 6.924 8.394 -7.282 1.00 1.00 C ATOM 316 O ARG A 20 6.437 9.476 -7.603 1.00 1.00 O ATOM 317 CB ARG A 20 7.071 6.937 -9.299 1.00 1.00 C ATOM 318 CG ARG A 20 6.512 7.814 -10.422 1.00 1.00 C ATOM 319 CD ARG A 20 7.557 8.269 -11.441 1.00 1.00 C ATOM 320 NE ARG A 20 6.904 9.327 -12.262 1.00 1.00 N ATOM 321 CZ ARG A 20 6.983 9.484 -13.616 1.00 1.00 C ATOM 322 NH1 ARG A 20 7.623 8.604 -14.441 1.00 1.00 N ATOM 323 NH2 ARG A 20 6.391 10.592 -14.150 1.00 1.00 N ATOM 0 H ARG A 20 8.556 5.829 -7.695 1.00 1.00 H new ATOM 0 HA ARG A 20 8.455 8.479 -8.668 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.724 6.183 -9.738 1.00 1.00 H new ATOM 0 HB3 ARG A 20 6.244 6.406 -8.827 1.00 1.00 H new ATOM 0 HG2 ARG A 20 5.729 7.263 -10.943 1.00 1.00 H new ATOM 0 HG3 ARG A 20 6.043 8.694 -9.981 1.00 1.00 H new ATOM 0 HD2 ARG A 20 8.445 8.657 -10.941 1.00 1.00 H new ATOM 0 HD3 ARG A 20 7.880 7.436 -12.065 1.00 1.00 H new ATOM 0 HE ARG A 20 6.336 10.008 -11.758 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.075 7.776 -14.052 1.00 1.00 H new ATOM 0 HH12 ARG A 20 7.649 8.774 -15.446 1.00 1.00 H new ATOM 0 HH21 ARG A 20 5.916 11.259 -13.542 1.00 1.00 H new ATOM 0 HH22 ARG A 20 6.424 10.753 -15.157 1.00 1.00 H new ATOM 337 N LEU A 21 6.662 7.852 -6.080 1.00 1.00 N ATOM 338 CA LEU A 21 5.899 8.556 -5.096 1.00 1.00 C ATOM 339 C LEU A 21 6.755 9.423 -4.238 1.00 1.00 C ATOM 340 O LEU A 21 6.451 10.598 -4.041 1.00 1.00 O ATOM 341 CB LEU A 21 5.059 7.583 -4.252 1.00 1.00 C ATOM 342 CG LEU A 21 3.646 8.039 -3.847 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.615 9.397 -3.126 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.688 8.053 -5.051 1.00 1.00 C ATOM 0 H LEU A 21 6.978 6.927 -5.789 1.00 1.00 H new ATOM 0 HA LEU A 21 5.215 9.217 -5.628 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.966 6.649 -4.806 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.615 7.359 -3.342 1.00 1.00 H new ATOM 0 HG LEU A 21 3.303 7.296 -3.128 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.586 9.651 -2.872 1.00 1.00 H new ATOM 0 HD12 LEU A 21 4.210 9.339 -2.214 1.00 1.00 H new ATOM 0 HD13 LEU A 21 4.028 10.165 -3.780 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.700 8.380 -4.726 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.066 8.739 -5.809 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.618 7.050 -5.472 1.00 1.00 H new ATOM 356 N ASP A 22 7.875 8.913 -3.696 1.00 1.00 N ATOM 357 CA ASP A 22 8.768 9.638 -2.845 1.00 1.00 C ATOM 358 C ASP A 22 9.379 10.844 -3.473 1.00 1.00 C ATOM 359 O ASP A 22 9.332 11.931 -2.900 1.00 1.00 O ATOM 360 CB ASP A 22 9.832 8.685 -2.272 1.00 1.00 C ATOM 361 CG ASP A 22 10.561 9.297 -1.083 1.00 1.00 C ATOM 362 OD1 ASP A 22 9.892 9.687 -0.090 1.00 1.00 O ATOM 363 OD2 ASP A 22 11.810 9.444 -1.136 1.00 1.00 O ATOM 0 H ASP A 22 8.172 7.951 -3.858 1.00 1.00 H new ATOM 0 HA ASP A 22 8.164 10.039 -2.031 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.357 7.753 -1.966 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.553 8.435 -3.051 1.00 1.00 H new ATOM 368 N ASP A 23 9.967 10.747 -4.678 1.00 1.00 N ATOM 369 CA ASP A 23 10.401 11.895 -5.410 1.00 1.00 C ATOM 370 C ASP A 23 9.325 12.320 -6.350 1.00 1.00 C ATOM 371 O ASP A 23 9.053 11.696 -7.375 1.00 1.00 O ATOM 372 CB ASP A 23 11.711 11.673 -6.184 1.00 1.00 C ATOM 373 CG ASP A 23 12.318 12.977 -6.681 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.984 13.696 -5.888 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.127 13.319 -7.878 1.00 1.00 O ATOM 0 H ASP A 23 10.144 9.860 -5.150 1.00 1.00 H new ATOM 0 HA ASP A 23 10.606 12.676 -4.677 1.00 1.00 H new ATOM 0 HB2 ASP A 23 12.428 11.163 -5.541 1.00 1.00 H new ATOM 0 HB3 ASP A 23 11.522 11.016 -7.033 1.00 1.00 H new ATOM 380 N TRP A 24 8.667 13.442 -6.010 1.00 1.00 N ATOM 381 CA TRP A 24 7.590 14.038 -6.737 1.00 1.00 C ATOM 382 C TRP A 24 7.681 15.517 -6.581 1.00 1.00 C ATOM 383 O TRP A 24 8.546 16.028 -5.871 1.00 1.00 O ATOM 384 CB TRP A 24 6.263 13.476 -6.196 1.00 1.00 C ATOM 385 CG TRP A 24 5.007 13.766 -6.984 1.00 1.00 C ATOM 386 CD1 TRP A 24 4.824 13.710 -8.335 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.737 14.145 -6.422 1.00 1.00 C ATOM 388 NE1 TRP A 24 3.528 14.020 -8.653 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.845 14.297 -7.490 1.00 1.00 C ATOM 390 CE3 TRP A 24 3.327 14.350 -5.135 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.541 14.645 -7.272 1.00 1.00 C ATOM 392 CZ3 TRP A 24 2.013 14.698 -4.925 1.00 1.00 C ATOM 393 CH2 TRP A 24 1.134 14.838 -5.973 1.00 1.00 C ATOM 0 H TRP A 24 8.905 13.968 -5.169 1.00 1.00 H new ATOM 0 HA TRP A 24 7.643 13.806 -7.801 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.365 12.394 -6.113 1.00 1.00 H new ATOM 0 HB3 TRP A 24 6.122 13.861 -5.186 1.00 1.00 H new ATOM 0 HD1 TRP A 24 5.592 13.457 -9.052 1.00 1.00 H new ATOM 0 HE1 TRP A 24 3.135 14.042 -9.594 1.00 1.00 H new ATOM 0 HE3 TRP A 24 4.013 14.242 -4.308 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.852 14.765 -8.095 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 1.665 14.865 -3.916 1.00 1.00 H new ATOM 0 HH2 TRP A 24 0.107 15.104 -5.772 1.00 1.00 H new ATOM 404 N ASP A 25 6.816 16.290 -7.261 1.00 1.00 N ATOM 405 CA ASP A 25 6.713 17.708 -7.090 1.00 1.00 C ATOM 406 C ASP A 25 5.541 17.995 -6.215 1.00 1.00 C ATOM 407 O ASP A 25 4.394 17.776 -6.600 1.00 1.00 O ATOM 408 CB ASP A 25 6.501 18.429 -8.432 1.00 1.00 C ATOM 409 CG ASP A 25 7.728 18.289 -9.321 1.00 1.00 C ATOM 410 OD1 ASP A 25 8.842 18.696 -8.896 1.00 1.00 O ATOM 411 OD2 ASP A 25 7.585 17.808 -10.476 1.00 1.00 O ATOM 0 H ASP A 25 6.166 15.917 -7.953 1.00 1.00 H new ATOM 0 HA ASP A 25 7.643 18.067 -6.648 1.00 1.00 H new ATOM 0 HB2 ASP A 25 5.630 18.014 -8.939 1.00 1.00 H new ATOM 0 HB3 ASP A 25 6.294 19.484 -8.254 1.00 1.00 H new ATOM 416 N GLY A 26 5.765 18.496 -4.986 1.00 1.00 N ATOM 417 CA GLY A 26 4.650 18.840 -4.161 1.00 1.00 C ATOM 418 C GLY A 26 5.052 19.517 -2.896 1.00 1.00 C ATOM 419 O GLY A 26 6.219 19.540 -2.509 1.00 1.00 O ATOM 0 H GLY A 26 6.684 18.658 -4.575 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.979 19.493 -4.719 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.089 17.937 -3.921 1.00 1.00 H new ATOM 423 N ASP A 27 4.056 20.093 -2.197 1.00 1.00 N ATOM 424 CA ASP A 27 4.167 20.759 -0.937 1.00 1.00 C ATOM 425 C ASP A 27 3.998 19.792 0.184 1.00 1.00 C ATOM 426 O ASP A 27 4.620 19.910 1.240 1.00 1.00 O ATOM 427 CB ASP A 27 3.021 21.786 -0.915 1.00 1.00 C ATOM 428 CG ASP A 27 3.377 22.959 -1.819 1.00 1.00 C ATOM 429 OD1 ASP A 27 4.424 23.609 -1.562 1.00 1.00 O ATOM 430 OD2 ASP A 27 2.617 23.243 -2.783 1.00 1.00 O ATOM 0 H ASP A 27 3.097 20.091 -2.543 1.00 1.00 H new ATOM 0 HA ASP A 27 5.144 21.226 -0.817 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.094 21.321 -1.252 1.00 1.00 H new ATOM 0 HB3 ASP A 27 2.851 22.136 0.103 1.00 1.00 H new ATOM 435 N SER A 28 3.141 18.775 -0.010 1.00 1.00 N ATOM 436 CA SER A 28 2.834 17.770 0.961 1.00 1.00 C ATOM 437 C SER A 28 3.910 16.754 1.117 1.00 1.00 C ATOM 438 O SER A 28 4.642 16.427 0.185 1.00 1.00 O ATOM 439 CB SER A 28 1.486 17.108 0.628 1.00 1.00 C ATOM 440 OG SER A 28 1.472 16.575 -0.689 1.00 1.00 O ATOM 0 H SER A 28 2.637 18.647 -0.887 1.00 1.00 H new ATOM 0 HA SER A 28 2.759 18.271 1.926 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.285 16.312 1.345 1.00 1.00 H new ATOM 0 HB3 SER A 28 0.686 17.840 0.732 1.00 1.00 H new ATOM 0 HG SER A 28 0.555 16.329 -0.933 1.00 1.00 H new ATOM 446 N ASP A 29 4.081 16.217 2.340 1.00 1.00 N ATOM 447 CA ASP A 29 5.124 15.299 2.681 1.00 1.00 C ATOM 448 C ASP A 29 4.690 13.890 2.468 1.00 1.00 C ATOM 449 O ASP A 29 3.522 13.618 2.193 1.00 1.00 O ATOM 450 CB ASP A 29 5.568 15.587 4.125 1.00 1.00 C ATOM 451 CG ASP A 29 7.041 15.326 4.397 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.577 14.275 3.953 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.692 16.172 5.066 1.00 1.00 O ATOM 0 H ASP A 29 3.465 16.432 3.124 1.00 1.00 H new ATOM 0 HA ASP A 29 5.984 15.436 2.026 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.348 16.629 4.358 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.973 14.976 4.803 1.00 1.00 H new ATOM 458 N ILE A 30 5.640 12.942 2.565 1.00 1.00 N ATOM 459 CA ILE A 30 5.545 11.552 2.246 1.00 1.00 C ATOM 460 C ILE A 30 6.542 10.870 3.121 1.00 1.00 C ATOM 461 O ILE A 30 7.736 11.160 3.084 1.00 1.00 O ATOM 462 CB ILE A 30 5.847 11.241 0.811 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.633 11.499 -0.098 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.349 9.807 0.568 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.456 10.554 0.138 1.00 1.00 C ATOM 0 H ILE A 30 6.573 13.179 2.903 1.00 1.00 H new ATOM 0 HA ILE A 30 4.521 11.215 2.407 1.00 1.00 H new ATOM 0 HB ILE A 30 6.659 11.922 0.556 1.00 1.00 H new ATOM 0 HG12 ILE A 30 4.295 12.525 0.050 1.00 1.00 H new ATOM 0 HG13 ILE A 30 4.948 11.414 -1.138 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.544 9.665 -0.495 1.00 1.00 H new ATOM 0 HG22 ILE A 30 7.268 9.643 1.130 1.00 1.00 H new ATOM 0 HG23 ILE A 30 5.591 9.096 0.896 1.00 1.00 H new ATOM 0 HD11 ILE A 30 2.644 10.806 -0.544 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.773 9.526 -0.040 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.110 10.654 1.167 1.00 1.00 H new ATOM 477 N ASP A 31 6.070 9.907 3.934 1.00 1.00 N ATOM 478 CA ASP A 31 6.873 8.868 4.497 1.00 1.00 C ATOM 479 C ASP A 31 6.479 7.569 3.881 1.00 1.00 C ATOM 480 O ASP A 31 5.460 6.975 4.224 1.00 1.00 O ATOM 481 CB ASP A 31 6.726 8.766 6.024 1.00 1.00 C ATOM 482 CG ASP A 31 7.319 9.982 6.720 1.00 1.00 C ATOM 483 OD1 ASP A 31 8.523 10.277 6.497 1.00 1.00 O ATOM 484 OD2 ASP A 31 6.609 10.636 7.531 1.00 1.00 O ATOM 0 H ASP A 31 5.089 9.851 4.209 1.00 1.00 H new ATOM 0 HA ASP A 31 7.916 9.106 4.287 1.00 1.00 H new ATOM 0 HB2 ASP A 31 5.672 8.674 6.284 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.222 7.863 6.380 1.00 1.00 H new ATOM 489 N CYS A 32 7.272 7.067 2.917 1.00 1.00 N ATOM 490 CA CYS A 32 7.100 5.772 2.336 1.00 1.00 C ATOM 491 C CYS A 32 7.767 4.713 3.145 1.00 1.00 C ATOM 492 O CYS A 32 8.951 4.773 3.475 1.00 1.00 O ATOM 493 CB CYS A 32 7.600 5.866 0.884 1.00 1.00 C ATOM 494 SG CYS A 32 9.392 5.909 0.582 1.00 1.00 S ATOM 0 H CYS A 32 8.062 7.582 2.528 1.00 1.00 H new ATOM 0 HA CYS A 32 6.052 5.471 2.330 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.193 5.015 0.338 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.168 6.764 0.443 1.00 1.00 H new ATOM 0 HG CYS A 32 10.017 5.407 1.605 1.00 1.00 H new ATOM 500 N GLU A 33 7.012 3.679 3.553 1.00 1.00 N ATOM 501 CA GLU A 33 7.477 2.644 4.424 1.00 1.00 C ATOM 502 C GLU A 33 7.849 1.446 3.620 1.00 1.00 C ATOM 503 O GLU A 33 7.139 1.096 2.679 1.00 1.00 O ATOM 504 CB GLU A 33 6.408 2.178 5.424 1.00 1.00 C ATOM 505 CG GLU A 33 5.921 3.240 6.412 1.00 1.00 C ATOM 506 CD GLU A 33 6.790 3.428 7.647 1.00 1.00 C ATOM 507 OE1 GLU A 33 7.869 2.791 7.781 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.350 4.203 8.538 1.00 1.00 O ATOM 0 H GLU A 33 6.041 3.558 3.266 1.00 1.00 H new ATOM 0 HA GLU A 33 8.322 3.065 4.969 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.549 1.807 4.864 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.807 1.336 5.990 1.00 1.00 H new ATOM 0 HG2 GLU A 33 5.851 4.194 5.889 1.00 1.00 H new ATOM 0 HG3 GLU A 33 4.913 2.978 6.734 1.00 1.00 H new ATOM 515 N ILE A 34 8.960 0.773 3.970 1.00 1.00 N ATOM 516 CA ILE A 34 9.382 -0.456 3.369 1.00 1.00 C ATOM 517 C ILE A 34 9.594 -1.405 4.498 1.00 1.00 C ATOM 518 O ILE A 34 10.483 -1.281 5.339 1.00 1.00 O ATOM 519 CB ILE A 34 10.622 -0.444 2.526 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.614 0.608 1.404 1.00 1.00 C ATOM 521 CG2 ILE A 34 10.790 -1.822 1.864 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.968 2.028 1.847 1.00 1.00 C ATOM 0 H ILE A 34 9.591 1.098 4.702 1.00 1.00 H new ATOM 0 HA ILE A 34 8.601 -0.722 2.657 1.00 1.00 H new ATOM 0 HB ILE A 34 11.440 -0.195 3.202 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.318 0.299 0.631 1.00 1.00 H new ATOM 0 HG13 ILE A 34 9.625 0.622 0.947 1.00 1.00 H new ATOM 0 HG21 ILE A 34 11.690 -1.823 1.249 1.00 1.00 H new ATOM 0 HG22 ILE A 34 10.877 -2.588 2.635 1.00 1.00 H new ATOM 0 HG23 ILE A 34 9.923 -2.033 1.239 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.935 2.696 0.987 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.251 2.365 2.596 1.00 1.00 H new ATOM 0 HD13 ILE A 34 11.970 2.036 2.275 1.00 1.00 H new ATOM 534 N ASN A 35 8.717 -2.424 4.533 1.00 1.00 N ATOM 535 CA ASN A 35 8.750 -3.556 5.406 1.00 1.00 C ATOM 536 C ASN A 35 8.755 -4.790 4.570 1.00 1.00 C ATOM 537 O ASN A 35 8.689 -4.732 3.345 1.00 1.00 O ATOM 538 CB ASN A 35 7.564 -3.505 6.384 1.00 1.00 C ATOM 539 CG ASN A 35 7.889 -2.521 7.500 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.788 -2.773 8.299 1.00 1.00 O ATOM 541 ND2 ASN A 35 7.155 -1.379 7.563 1.00 1.00 N ATOM 0 H ASN A 35 7.920 -2.457 3.898 1.00 1.00 H new ATOM 0 HA ASN A 35 9.653 -3.552 6.017 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.658 -3.198 5.862 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.373 -4.495 6.798 1.00 1.00 H new ATOM 0 HD21 ASN A 35 7.342 -0.692 8.294 1.00 1.00 H new ATOM 0 HD22 ASN A 35 6.417 -1.209 6.880 1.00 1.00 H new ATOM 548 N GLY A 36 8.883 -5.975 5.198 1.00 1.00 N ATOM 549 CA GLY A 36 9.097 -7.223 4.535 1.00 1.00 C ATOM 550 C GLY A 36 7.966 -7.741 3.713 1.00 1.00 C ATOM 551 O GLY A 36 7.142 -8.524 4.181 1.00 1.00 O ATOM 0 H GLY A 36 8.835 -6.065 6.213 1.00 1.00 H new ATOM 0 HA2 GLY A 36 9.970 -7.121 3.890 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.343 -7.972 5.288 1.00 1.00 H new ATOM 555 N GLY A 37 7.898 -7.318 2.438 1.00 1.00 N ATOM 556 CA GLY A 37 6.832 -7.603 1.529 1.00 1.00 C ATOM 557 C GLY A 37 5.705 -6.635 1.647 1.00 1.00 C ATOM 558 O GLY A 37 4.593 -6.904 1.195 1.00 1.00 O ATOM 0 H GLY A 37 8.629 -6.744 2.018 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.215 -7.586 0.509 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.461 -8.611 1.714 1.00 1.00 H new ATOM 562 N VAL A 38 5.958 -5.480 2.289 1.00 1.00 N ATOM 563 CA VAL A 38 4.959 -4.532 2.678 1.00 1.00 C ATOM 564 C VAL A 38 5.439 -3.158 2.361 1.00 1.00 C ATOM 565 O VAL A 38 6.481 -2.722 2.847 1.00 1.00 O ATOM 566 CB VAL A 38 4.680 -4.608 4.149 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.665 -3.538 4.585 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.157 -5.994 4.564 1.00 1.00 C ATOM 0 H VAL A 38 6.902 -5.194 2.549 1.00 1.00 H new ATOM 0 HA VAL A 38 4.043 -4.762 2.133 1.00 1.00 H new ATOM 0 HB VAL A 38 5.631 -4.427 4.649 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.486 -3.622 5.657 1.00 1.00 H new ATOM 0 HG12 VAL A 38 4.061 -2.548 4.360 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.728 -3.685 4.048 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.968 -6.005 5.637 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.231 -6.208 4.030 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.901 -6.752 4.319 1.00 1.00 H new ATOM 578 N LEU A 39 4.687 -2.385 1.557 1.00 1.00 N ATOM 579 CA LEU A 39 4.910 -0.985 1.360 1.00 1.00 C ATOM 580 C LEU A 39 3.770 -0.224 1.943 1.00 1.00 C ATOM 581 O LEU A 39 2.609 -0.622 1.861 1.00 1.00 O ATOM 582 CB LEU A 39 5.013 -0.629 -0.132 1.00 1.00 C ATOM 583 CG LEU A 39 6.190 -1.303 -0.858 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.133 -0.912 -2.345 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.566 -0.931 -0.280 1.00 1.00 C ATOM 0 H LEU A 39 3.896 -2.747 1.025 1.00 1.00 H new ATOM 0 HA LEU A 39 5.850 -0.726 1.846 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.084 -0.912 -0.627 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.110 0.452 -0.231 1.00 1.00 H new ATOM 0 HG LEU A 39 6.083 -2.379 -0.721 1.00 1.00 H new ATOM 0 HD11 LEU A 39 6.961 -1.381 -2.877 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.189 -1.249 -2.774 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.209 0.171 -2.440 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.347 -1.443 -0.842 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.713 0.147 -0.354 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.615 -1.232 0.766 1.00 1.00 H new ATOM 597 N THR A 40 4.052 0.922 2.589 1.00 1.00 N ATOM 598 CA THR A 40 3.007 1.714 3.160 1.00 1.00 C ATOM 599 C THR A 40 3.251 3.138 2.797 1.00 1.00 C ATOM 600 O THR A 40 4.300 3.711 3.089 1.00 1.00 O ATOM 601 CB THR A 40 2.846 1.594 4.646 1.00 1.00 C ATOM 602 OG1 THR A 40 3.253 0.315 5.114 1.00 1.00 O ATOM 603 CG2 THR A 40 1.360 1.732 5.019 1.00 1.00 C ATOM 0 H THR A 40 4.992 1.297 2.715 1.00 1.00 H new ATOM 0 HA THR A 40 2.073 1.332 2.747 1.00 1.00 H new ATOM 0 HB THR A 40 3.459 2.376 5.095 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.137 0.270 6.086 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.246 1.644 6.100 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.992 2.705 4.693 1.00 1.00 H new ATOM 0 HG23 THR A 40 0.787 0.945 4.529 1.00 1.00 H new ATOM 611 N ILE A 41 2.276 3.754 2.105 1.00 1.00 N ATOM 612 CA ILE A 41 2.359 5.102 1.637 1.00 1.00 C ATOM 613 C ILE A 41 1.653 5.949 2.638 1.00 1.00 C ATOM 614 O ILE A 41 0.450 5.798 2.849 1.00 1.00 O ATOM 615 CB ILE A 41 1.756 5.254 0.271 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.529 4.414 -0.760 1.00 1.00 C ATOM 617 CG2 ILE A 41 1.677 6.736 -0.132 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.829 4.315 -2.114 1.00 1.00 C ATOM 0 H ILE A 41 1.397 3.296 1.863 1.00 1.00 H new ATOM 0 HA ILE A 41 3.401 5.407 1.537 1.00 1.00 H new ATOM 0 HB ILE A 41 0.734 4.875 0.298 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.518 4.849 -0.902 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.676 3.410 -0.362 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.237 6.820 -1.126 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.059 7.276 0.586 1.00 1.00 H new ATOM 0 HG23 ILE A 41 2.679 7.164 -0.142 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.430 3.708 -2.791 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.850 3.853 -1.985 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.706 5.313 -2.534 1.00 1.00 H new ATOM 630 N THR A 42 2.398 6.843 3.312 1.00 1.00 N ATOM 631 CA THR A 42 1.856 7.678 4.338 1.00 1.00 C ATOM 632 C THR A 42 2.145 9.100 3.999 1.00 1.00 C ATOM 633 O THR A 42 3.298 9.486 3.814 1.00 1.00 O ATOM 634 CB THR A 42 2.412 7.417 5.707 1.00 1.00 C ATOM 635 OG1 THR A 42 2.584 6.026 5.932 1.00 1.00 O ATOM 636 CG2 THR A 42 1.431 7.928 6.776 1.00 1.00 C ATOM 0 H THR A 42 3.393 6.988 3.142 1.00 1.00 H new ATOM 0 HA THR A 42 0.789 7.456 4.375 1.00 1.00 H new ATOM 0 HB THR A 42 3.372 7.930 5.771 1.00 1.00 H new ATOM 0 HG1 THR A 42 2.949 5.883 6.830 1.00 1.00 H new ATOM 0 HG21 THR A 42 1.841 7.735 7.768 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.279 9.000 6.648 1.00 1.00 H new ATOM 0 HG23 THR A 42 0.477 7.411 6.671 1.00 1.00 H new ATOM 644 N PHE A 43 1.105 9.946 3.890 1.00 1.00 N ATOM 645 CA PHE A 43 1.225 11.334 3.574 1.00 1.00 C ATOM 646 C PHE A 43 0.774 12.174 4.720 1.00 1.00 C ATOM 647 O PHE A 43 0.282 11.684 5.735 1.00 1.00 O ATOM 648 CB PHE A 43 0.557 11.754 2.254 1.00 1.00 C ATOM 649 CG PHE A 43 -0.566 10.865 1.841 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.852 11.111 2.261 1.00 1.00 C ATOM 651 CD2 PHE A 43 -0.320 9.810 0.998 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.885 10.305 1.843 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.347 8.998 0.574 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.630 9.249 0.998 1.00 1.00 C ATOM 0 H PHE A 43 0.139 9.649 4.028 1.00 1.00 H new ATOM 0 HA PHE A 43 2.287 11.509 3.404 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.184 12.773 2.354 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.308 11.766 1.465 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -2.052 11.941 2.922 1.00 1.00 H new ATOM 0 HD2 PHE A 43 0.689 9.615 0.664 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.893 10.500 2.177 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -1.146 8.169 -0.088 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.440 8.616 0.667 1.00 1.00 H new ATOM 664 N GLU A 44 0.964 13.501 4.611 1.00 1.00 N ATOM 665 CA GLU A 44 0.975 14.449 5.681 1.00 1.00 C ATOM 666 C GLU A 44 -0.327 14.700 6.359 1.00 1.00 C ATOM 667 O GLU A 44 -0.387 15.045 7.538 1.00 1.00 O ATOM 668 CB GLU A 44 1.638 15.698 5.075 1.00 1.00 C ATOM 669 CG GLU A 44 0.740 16.802 4.511 1.00 1.00 C ATOM 670 CD GLU A 44 0.746 18.084 5.332 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.418 18.149 6.396 1.00 1.00 O ATOM 672 OE2 GLU A 44 0.109 19.070 4.875 1.00 1.00 O ATOM 0 H GLU A 44 1.122 13.943 3.705 1.00 1.00 H new ATOM 0 HA GLU A 44 1.533 14.056 6.531 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.269 16.144 5.844 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.299 15.367 4.274 1.00 1.00 H new ATOM 0 HG2 GLU A 44 1.059 17.032 3.494 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -0.282 16.428 4.447 1.00 1.00 H new ATOM 679 N ASN A 45 -1.442 14.427 5.657 1.00 1.00 N ATOM 680 CA ASN A 45 -2.762 14.390 6.204 1.00 1.00 C ATOM 681 C ASN A 45 -2.960 13.270 7.168 1.00 1.00 C ATOM 682 O ASN A 45 -3.876 13.281 7.988 1.00 1.00 O ATOM 683 CB ASN A 45 -3.796 14.262 5.071 1.00 1.00 C ATOM 684 CG ASN A 45 -5.209 14.597 5.524 1.00 1.00 C ATOM 685 OD1 ASN A 45 -6.055 13.725 5.720 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.476 15.914 5.731 1.00 1.00 N ATOM 0 H ASN A 45 -1.421 14.222 4.658 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.899 15.324 6.749 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.515 14.924 4.252 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.776 13.245 4.680 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.398 16.202 6.058 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -4.754 16.614 5.560 1.00 1.00 H new ATOM 693 N GLY A 46 -2.087 12.247 7.130 1.00 1.00 N ATOM 694 CA GLY A 46 -2.049 11.176 8.076 1.00 1.00 C ATOM 695 C GLY A 46 -2.714 9.933 7.593 1.00 1.00 C ATOM 696 O GLY A 46 -2.841 8.970 8.348 1.00 1.00 O ATOM 0 H GLY A 46 -1.374 12.163 6.405 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.010 10.952 8.318 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.529 11.500 8.999 1.00 1.00 H new ATOM 700 N SER A 47 -3.171 9.905 6.328 1.00 1.00 N ATOM 701 CA SER A 47 -3.874 8.784 5.782 1.00 1.00 C ATOM 702 C SER A 47 -2.967 7.788 5.146 1.00 1.00 C ATOM 703 O SER A 47 -1.762 8.005 5.032 1.00 1.00 O ATOM 704 CB SER A 47 -4.987 9.209 4.810 1.00 1.00 C ATOM 705 OG SER A 47 -6.045 8.262 4.792 1.00 1.00 O ATOM 0 H SER A 47 -3.050 10.676 5.671 1.00 1.00 H new ATOM 0 HA SER A 47 -4.346 8.293 6.633 1.00 1.00 H new ATOM 0 HB2 SER A 47 -5.375 10.185 5.102 1.00 1.00 H new ATOM 0 HB3 SER A 47 -4.575 9.317 3.807 1.00 1.00 H new ATOM 0 HG SER A 47 -6.900 8.725 4.912 1.00 1.00 H new ATOM 711 N LYS A 48 -3.517 6.623 4.756 1.00 1.00 N ATOM 712 CA LYS A 48 -2.752 5.428 4.581 1.00 1.00 C ATOM 713 C LYS A 48 -3.125 4.647 3.368 1.00 1.00 C ATOM 714 O LYS A 48 -4.293 4.319 3.167 1.00 1.00 O ATOM 715 CB LYS A 48 -3.022 4.541 5.809 1.00 1.00 C ATOM 716 CG LYS A 48 -2.131 3.308 5.975 1.00 1.00 C ATOM 717 CD LYS A 48 -2.640 2.409 7.105 1.00 1.00 C ATOM 718 CE LYS A 48 -1.606 1.380 7.568 1.00 1.00 C ATOM 719 NZ LYS A 48 -2.165 0.461 8.585 1.00 1.00 N ATOM 0 H LYS A 48 -4.511 6.510 4.559 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.707 5.716 4.465 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -2.921 5.157 6.703 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -4.059 4.208 5.767 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.106 2.745 5.042 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.108 3.620 6.187 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -2.930 3.030 7.952 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -3.537 1.888 6.770 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -1.256 0.805 6.711 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.739 1.896 7.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.436 -0.222 8.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.476 1.008 9.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -2.977 -0.050 8.183 1.00 1.00 H new ATOM 733 N ILE A 49 -2.145 4.267 2.529 1.00 1.00 N ATOM 734 CA ILE A 49 -2.296 3.220 1.565 1.00 1.00 C ATOM 735 C ILE A 49 -1.399 2.125 2.032 1.00 1.00 C ATOM 736 O ILE A 49 -0.216 2.358 2.277 1.00 1.00 O ATOM 737 CB ILE A 49 -1.864 3.530 0.162 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.957 5.020 -0.209 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.638 2.627 -0.812 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.371 5.598 -0.275 1.00 1.00 C ATOM 0 H ILE A 49 -1.221 4.700 2.520 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.363 3.002 1.510 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.799 3.312 0.087 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.383 5.594 0.519 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.479 5.165 -1.178 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -2.330 2.846 -1.834 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.427 1.582 -0.585 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.707 2.812 -0.708 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.321 6.653 -0.544 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.950 5.059 -1.025 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.852 5.494 0.698 1.00 1.00 H new ATOM 752 N ILE A 50 -1.896 0.884 2.186 1.00 1.00 N ATOM 753 CA ILE A 50 -1.119 -0.222 2.652 1.00 1.00 C ATOM 754 C ILE A 50 -1.166 -1.317 1.643 1.00 1.00 C ATOM 755 O ILE A 50 -2.206 -1.860 1.274 1.00 1.00 O ATOM 756 CB ILE A 50 -1.518 -0.591 4.051 1.00 1.00 C ATOM 757 CG1 ILE A 50 -0.926 -1.934 4.507 1.00 1.00 C ATOM 758 CG2 ILE A 50 -3.039 -0.533 4.268 1.00 1.00 C ATOM 759 CD1 ILE A 50 0.597 -1.886 4.635 1.00 1.00 C ATOM 0 H ILE A 50 -2.866 0.644 1.980 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.064 0.038 2.741 1.00 1.00 H new ATOM 0 HB ILE A 50 -1.080 0.174 4.692 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -1.360 -2.212 5.467 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -1.204 -2.711 3.795 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.271 -0.809 5.297 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.396 0.479 4.075 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.530 -1.227 3.586 1.00 1.00 H new ATOM 0 HD11 ILE A 50 0.966 -2.859 4.960 1.00 1.00 H new ATOM 0 HD12 ILE A 50 1.036 -1.636 3.669 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.877 -1.129 5.368 1.00 1.00 H new ATOM 771 N ILE A 51 0.026 -1.640 1.112 1.00 1.00 N ATOM 772 CA ILE A 51 0.234 -2.505 -0.007 1.00 1.00 C ATOM 773 C ILE A 51 1.098 -3.652 0.390 1.00 1.00 C ATOM 774 O ILE A 51 2.152 -3.508 1.007 1.00 1.00 O ATOM 775 CB ILE A 51 0.861 -1.792 -1.168 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.109 -0.465 -1.366 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.799 -2.688 -2.417 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.470 0.240 -2.674 1.00 1.00 C ATOM 0 H ILE A 51 0.900 -1.273 1.489 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.746 -2.862 -0.323 1.00 1.00 H new ATOM 0 HB ILE A 51 1.913 -1.575 -0.983 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.964 -0.656 -1.347 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.329 0.199 -0.530 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.255 -2.169 -3.260 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.339 -3.615 -2.227 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.241 -2.915 -2.650 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.094 1.169 -2.754 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.537 0.461 -2.686 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.224 -0.407 -3.516 1.00 1.00 H new ATOM 790 N ASN A 52 0.655 -4.869 0.027 1.00 1.00 N ATOM 791 CA ASN A 52 1.231 -6.103 0.464 1.00 1.00 C ATOM 792 C ASN A 52 0.747 -7.164 -0.461 1.00 1.00 C ATOM 793 O ASN A 52 -0.136 -6.995 -1.302 1.00 1.00 O ATOM 794 CB ASN A 52 0.997 -6.300 1.972 1.00 1.00 C ATOM 795 CG ASN A 52 1.188 -7.695 2.551 1.00 1.00 C ATOM 796 OD1 ASN A 52 0.236 -8.320 3.017 1.00 1.00 O ATOM 797 ND2 ASN A 52 2.441 -8.222 2.518 1.00 1.00 N ATOM 0 H ASN A 52 -0.140 -4.999 -0.599 1.00 1.00 H new ATOM 0 HA ASN A 52 2.319 -6.130 0.398 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.666 -5.624 2.504 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.022 -5.983 2.196 1.00 1.00 H new ATOM 0 HD21 ASN A 52 2.610 -9.158 2.886 1.00 1.00 H new ATOM 0 HD22 ASN A 52 3.212 -7.681 2.126 1.00 1.00 H new ATOM 804 N ARG A 53 1.452 -8.308 -0.405 1.00 1.00 N ATOM 805 CA ARG A 53 1.521 -9.254 -1.475 1.00 1.00 C ATOM 806 C ARG A 53 1.876 -10.594 -0.927 1.00 1.00 C ATOM 807 O ARG A 53 2.947 -10.812 -0.363 1.00 1.00 O ATOM 808 CB ARG A 53 2.588 -8.678 -2.420 1.00 1.00 C ATOM 809 CG ARG A 53 3.286 -9.613 -3.410 1.00 1.00 C ATOM 810 CD ARG A 53 4.816 -9.563 -3.376 1.00 1.00 C ATOM 811 NE ARG A 53 5.264 -10.114 -2.066 1.00 1.00 N ATOM 812 CZ ARG A 53 6.553 -10.052 -1.618 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.555 -9.467 -2.338 1.00 1.00 N ATOM 814 NH2 ARG A 53 6.882 -10.578 -0.403 1.00 1.00 N ATOM 0 H ARG A 53 1.993 -8.584 0.414 1.00 1.00 H new ATOM 0 HA ARG A 53 0.581 -9.400 -2.008 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.121 -7.879 -2.996 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.359 -8.217 -1.803 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.966 -10.635 -3.209 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.951 -9.367 -4.418 1.00 1.00 H new ATOM 0 HD2 ARG A 53 5.235 -10.144 -4.198 1.00 1.00 H new ATOM 0 HD3 ARG A 53 5.167 -8.538 -3.499 1.00 1.00 H new ATOM 0 HE ARG A 53 4.569 -10.563 -1.470 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.354 -9.054 -3.249 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.504 -9.443 -1.965 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.165 -11.019 0.173 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.845 -10.531 -0.071 1.00 1.00 H new ATOM 828 N GLN A 54 0.937 -11.540 -1.108 1.00 1.00 N ATOM 829 CA GLN A 54 1.005 -12.901 -0.676 1.00 1.00 C ATOM 830 C GLN A 54 1.287 -13.725 -1.885 1.00 1.00 C ATOM 831 O GLN A 54 0.550 -13.667 -2.868 1.00 1.00 O ATOM 832 CB GLN A 54 -0.363 -13.283 -0.086 1.00 1.00 C ATOM 833 CG GLN A 54 -0.658 -12.713 1.303 1.00 1.00 C ATOM 834 CD GLN A 54 0.061 -13.446 2.426 1.00 1.00 C ATOM 835 OE1 GLN A 54 0.901 -14.325 2.245 1.00 1.00 O ATOM 836 NE2 GLN A 54 -0.303 -13.098 3.690 1.00 1.00 N ATOM 0 H GLN A 54 0.064 -11.336 -1.594 1.00 1.00 H new ATOM 0 HA GLN A 54 1.777 -13.057 0.078 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.142 -12.948 -0.771 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.428 -14.370 -0.036 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -0.371 -11.662 1.324 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -1.732 -12.754 1.483 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.000 -12.368 3.837 1.00 1.00 H new ATOM 0 HE22 GLN A 54 0.121 -13.567 4.490 1.00 1.00 H new ATOM 845 N GLU A 55 2.390 -14.495 -1.869 1.00 1.00 N ATOM 846 CA GLU A 55 2.881 -15.283 -2.956 1.00 1.00 C ATOM 847 C GLU A 55 1.987 -16.293 -3.587 1.00 1.00 C ATOM 848 O GLU A 55 2.073 -16.389 -4.810 1.00 1.00 O ATOM 849 CB GLU A 55 4.227 -15.936 -2.596 1.00 1.00 C ATOM 850 CG GLU A 55 5.386 -14.940 -2.520 1.00 1.00 C ATOM 851 CD GLU A 55 6.524 -15.525 -1.695 1.00 1.00 C ATOM 852 OE1 GLU A 55 6.361 -15.611 -0.449 1.00 1.00 O ATOM 853 OE2 GLU A 55 7.586 -15.907 -2.257 1.00 1.00 O ATOM 0 H GLU A 55 2.978 -14.571 -1.039 1.00 1.00 H new ATOM 0 HA GLU A 55 2.976 -14.528 -3.737 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.131 -16.444 -1.636 1.00 1.00 H new ATOM 0 HB3 GLU A 55 4.462 -16.699 -3.338 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.739 -14.703 -3.524 1.00 1.00 H new ATOM 0 HG3 GLU A 55 5.045 -14.006 -2.073 1.00 1.00 H new ATOM 860 N PRO A 56 1.154 -17.074 -2.965 1.00 1.00 N ATOM 861 CA PRO A 56 0.220 -17.913 -3.658 1.00 1.00 C ATOM 862 C PRO A 56 -0.835 -17.143 -4.376 1.00 1.00 C ATOM 863 O PRO A 56 -1.660 -16.509 -3.717 1.00 1.00 O ATOM 864 CB PRO A 56 -0.388 -18.807 -2.579 1.00 1.00 C ATOM 865 CG PRO A 56 0.678 -18.837 -1.472 1.00 1.00 C ATOM 866 CD PRO A 56 1.228 -17.403 -1.549 1.00 1.00 C ATOM 0 HA PRO A 56 0.722 -18.483 -4.440 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -1.332 -18.404 -2.212 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -0.595 -19.807 -2.960 1.00 1.00 H new ATOM 0 HG2 PRO A 56 0.251 -19.062 -0.495 1.00 1.00 H new ATOM 0 HG3 PRO A 56 1.448 -19.584 -1.663 1.00 1.00 H new ATOM 0 HD2 PRO A 56 0.634 -16.715 -0.948 1.00 1.00 H new ATOM 0 HD3 PRO A 56 2.252 -17.348 -1.179 1.00 1.00 H new ATOM 874 N LEU A 57 -0.849 -17.199 -5.719 1.00 1.00 N ATOM 875 CA LEU A 57 -1.586 -16.353 -6.604 1.00 1.00 C ATOM 876 C LEU A 57 -0.999 -14.997 -6.789 1.00 1.00 C ATOM 877 O LEU A 57 -0.602 -14.289 -5.864 1.00 1.00 O ATOM 878 CB LEU A 57 -3.117 -16.350 -6.457 1.00 1.00 C ATOM 879 CG LEU A 57 -3.737 -17.725 -6.760 1.00 1.00 C ATOM 880 CD1 LEU A 57 -3.870 -18.626 -5.519 1.00 1.00 C ATOM 881 CD2 LEU A 57 -5.115 -17.574 -7.425 1.00 1.00 C ATOM 0 H LEU A 57 -0.299 -17.893 -6.225 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.448 -16.869 -7.554 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -3.381 -16.051 -5.443 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.543 -15.606 -7.130 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.042 -18.212 -7.444 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.314 -19.579 -5.807 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.884 -18.801 -5.089 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.506 -18.137 -4.781 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.531 -18.561 -7.628 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.783 -17.029 -6.758 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.009 -17.025 -8.361 1.00 1.00 H new ATOM 893 N HIS A 58 -0.913 -14.589 -8.069 1.00 1.00 N ATOM 894 CA HIS A 58 -0.313 -13.385 -8.554 1.00 1.00 C ATOM 895 C HIS A 58 -1.104 -12.151 -8.289 1.00 1.00 C ATOM 896 O HIS A 58 -1.238 -11.306 -9.174 1.00 1.00 O ATOM 897 CB HIS A 58 -0.129 -13.466 -10.078 1.00 1.00 C ATOM 898 CG HIS A 58 0.676 -14.635 -10.558 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.865 -14.906 -11.887 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.345 -15.594 -9.862 1.00 1.00 C ATOM 901 CE1 HIS A 58 1.617 -15.985 -12.001 1.00 1.00 C ATOM 902 NE2 HIS A 58 1.921 -16.418 -10.792 1.00 1.00 N ATOM 0 H HIS A 58 -1.297 -15.152 -8.828 1.00 1.00 H new ATOM 0 HA HIS A 58 0.631 -13.310 -8.015 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.113 -13.505 -10.546 1.00 1.00 H new ATOM 0 HB3 HIS A 58 0.351 -12.549 -10.420 1.00 1.00 H new ATOM 0 HD1 HIS A 58 0.486 -14.363 -12.663 1.00 1.00 H new ATOM 0 HD2 HIS A 58 1.409 -15.687 -8.788 1.00 1.00 H new ATOM 0 HE1 HIS A 58 1.931 -16.438 -12.930 1.00 1.00 H new ATOM 910 N GLN A 59 -1.675 -11.958 -7.086 1.00 1.00 N ATOM 911 CA GLN A 59 -2.574 -10.893 -6.768 1.00 1.00 C ATOM 912 C GLN A 59 -1.986 -10.016 -5.717 1.00 1.00 C ATOM 913 O GLN A 59 -1.472 -10.480 -4.701 1.00 1.00 O ATOM 914 CB GLN A 59 -3.914 -11.423 -6.226 1.00 1.00 C ATOM 915 CG GLN A 59 -4.796 -12.073 -7.294 1.00 1.00 C ATOM 916 CD GLN A 59 -6.163 -12.434 -6.732 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.298 -13.006 -5.651 1.00 1.00 O ATOM 918 NE2 GLN A 59 -7.249 -12.099 -7.481 1.00 1.00 N ATOM 0 H GLN A 59 -1.500 -12.578 -6.295 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.743 -10.339 -7.692 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.715 -12.151 -5.439 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.461 -10.600 -5.767 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.914 -11.391 -8.136 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.308 -12.970 -7.676 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -7.125 -11.625 -8.376 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -8.187 -12.322 -7.148 1.00 1.00 H new ATOM 927 N VAL A 60 -2.067 -8.685 -5.901 1.00 1.00 N ATOM 928 CA VAL A 60 -1.578 -7.749 -4.941 1.00 1.00 C ATOM 929 C VAL A 60 -2.779 -7.172 -4.275 1.00 1.00 C ATOM 930 O VAL A 60 -3.864 -7.218 -4.854 1.00 1.00 O ATOM 931 CB VAL A 60 -0.739 -6.695 -5.604 1.00 1.00 C ATOM 932 CG1 VAL A 60 -0.162 -5.666 -4.617 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.435 -7.360 -6.343 1.00 1.00 C ATOM 0 H VAL A 60 -2.478 -8.254 -6.729 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.929 -8.226 -4.207 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.399 -6.165 -6.291 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.434 -4.933 -5.162 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.978 -5.159 -4.101 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.468 -6.175 -3.887 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.043 -6.594 -6.824 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.046 -7.914 -5.631 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.049 -8.044 -7.099 1.00 1.00 H new ATOM 943 N TRP A 61 -2.701 -6.637 -3.043 1.00 1.00 N ATOM 944 CA TRP A 61 -3.794 -5.910 -2.473 1.00 1.00 C ATOM 945 C TRP A 61 -3.543 -4.441 -2.497 1.00 1.00 C ATOM 946 O TRP A 61 -2.415 -3.984 -2.320 1.00 1.00 O ATOM 947 CB TRP A 61 -4.219 -6.463 -1.104 1.00 1.00 C ATOM 948 CG TRP A 61 -3.553 -5.997 0.169 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.334 -5.396 0.293 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.148 -5.951 1.479 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.193 -4.848 1.540 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.269 -5.238 2.303 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.329 -6.441 1.966 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -3.561 -5.036 3.624 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.609 -6.234 3.297 1.00 1.00 C ATOM 956 CH2 TRP A 61 -4.740 -5.546 4.111 1.00 1.00 C ATOM 0 H TRP A 61 -1.881 -6.708 -2.441 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.666 -6.067 -3.107 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -5.285 -6.263 -0.997 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -4.100 -7.546 -1.147 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.585 -5.358 -0.484 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.424 -4.254 1.849 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.018 -6.973 1.327 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -2.884 -4.491 4.266 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.529 -6.619 3.711 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -4.989 -5.404 5.152 1.00 1.00 H new ATOM 967 N LEU A 62 -4.587 -3.621 -2.707 1.00 1.00 N ATOM 968 CA LEU A 62 -4.532 -2.220 -2.420 1.00 1.00 C ATOM 969 C LEU A 62 -5.480 -2.032 -1.286 1.00 1.00 C ATOM 970 O LEU A 62 -6.679 -1.874 -1.515 1.00 1.00 O ATOM 971 CB LEU A 62 -5.024 -1.311 -3.557 1.00 1.00 C ATOM 972 CG LEU A 62 -3.988 -0.867 -4.603 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.681 -0.015 -5.679 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.823 -0.087 -3.967 1.00 1.00 C ATOM 0 H LEU A 62 -5.483 -3.934 -3.081 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.493 -1.947 -2.233 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.829 -1.829 -4.078 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -5.457 -0.416 -3.110 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.562 -1.761 -5.059 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.948 0.301 -6.421 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.459 -0.604 -6.165 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -5.129 0.864 -5.215 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.116 0.207 -4.742 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.209 0.804 -3.472 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.318 -0.719 -3.236 1.00 1.00 H new ATOM 986 N ALA A 63 -4.978 -2.036 -0.038 1.00 1.00 N ATOM 987 CA ALA A 63 -5.745 -1.654 1.107 1.00 1.00 C ATOM 988 C ALA A 63 -5.574 -0.194 1.347 1.00 1.00 C ATOM 989 O ALA A 63 -4.478 0.366 1.339 1.00 1.00 O ATOM 990 CB ALA A 63 -5.444 -2.545 2.325 1.00 1.00 C ATOM 0 H ALA A 63 -4.020 -2.310 0.180 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.805 -1.822 0.917 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.048 -2.220 3.172 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.683 -3.581 2.086 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.388 -2.466 2.581 1.00 1.00 H new ATOM 996 N THR A 64 -6.719 0.508 1.423 1.00 1.00 N ATOM 997 CA THR A 64 -6.814 1.905 1.133 1.00 1.00 C ATOM 998 C THR A 64 -7.952 2.449 1.927 1.00 1.00 C ATOM 999 O THR A 64 -8.500 1.744 2.774 1.00 1.00 O ATOM 1000 CB THR A 64 -6.973 2.072 -0.349 1.00 1.00 C ATOM 1001 OG1 THR A 64 -6.997 3.423 -0.784 1.00 1.00 O ATOM 1002 CG2 THR A 64 -8.240 1.382 -0.878 1.00 1.00 C ATOM 0 H THR A 64 -7.608 0.089 1.695 1.00 1.00 H new ATOM 0 HA THR A 64 -5.920 2.462 1.414 1.00 1.00 H new ATOM 0 HB THR A 64 -6.081 1.597 -0.758 1.00 1.00 H new ATOM 0 HG1 THR A 64 -6.257 3.579 -1.407 1.00 1.00 H new ATOM 0 HG21 THR A 64 -8.312 1.530 -1.955 1.00 1.00 H new ATOM 0 HG22 THR A 64 -8.191 0.315 -0.661 1.00 1.00 H new ATOM 0 HG23 THR A 64 -9.117 1.811 -0.393 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.394 3.696 1.678 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.451 4.345 2.389 1.00 1.00 C ATOM 1012 C LYS A 65 -10.755 3.626 2.409 1.00 1.00 C ATOM 1013 O LYS A 65 -11.407 3.485 3.443 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.680 5.785 1.900 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.324 6.679 2.961 1.00 1.00 C ATOM 1016 CD LYS A 65 -9.395 6.939 4.148 1.00 1.00 C ATOM 1017 CE LYS A 65 -10.066 6.979 5.522 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.006 8.118 5.632 1.00 1.00 N ATOM 0 H LYS A 65 -7.993 4.280 0.944 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.086 4.346 3.416 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -8.726 6.217 1.599 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.315 5.766 1.014 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -10.605 7.630 2.509 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -11.242 6.212 3.317 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -8.628 6.164 4.161 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -8.886 7.889 3.985 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.602 6.045 5.694 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -9.305 7.057 6.298 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.444 8.117 6.575 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -10.489 9.009 5.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -11.746 8.029 4.907 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.166 3.102 1.240 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.412 2.426 1.047 1.00 1.00 C ATOM 1034 C GLN A 66 -12.506 1.077 1.672 1.00 1.00 C ATOM 1035 O GLN A 66 -13.599 0.604 1.976 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.635 2.288 -0.468 1.00 1.00 C ATOM 1037 CG GLN A 66 -13.093 3.603 -1.099 1.00 1.00 C ATOM 1038 CD GLN A 66 -13.179 3.503 -2.614 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -12.908 2.484 -3.248 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -13.550 4.646 -3.252 1.00 1.00 N ATOM 0 H GLN A 66 -10.604 3.152 0.390 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.174 3.027 1.543 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.710 1.960 -0.943 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.381 1.516 -0.656 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.068 3.879 -0.697 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -12.399 4.398 -0.826 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -13.772 5.483 -2.712 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -13.607 4.666 -4.270 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.373 0.393 1.913 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.384 -0.861 2.601 1.00 1.00 C ATOM 1051 C GLY A 67 -10.320 -1.796 2.139 1.00 1.00 C ATOM 1052 O GLY A 67 -9.623 -2.406 2.948 1.00 1.00 O ATOM 0 H GLY A 67 -10.446 0.710 1.630 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.262 -0.682 3.669 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.357 -1.333 2.466 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.160 -1.951 0.812 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.156 -2.800 0.248 1.00 1.00 C ATOM 1058 C GLY A 68 -9.592 -3.842 -0.722 1.00 1.00 C ATOM 1059 O GLY A 68 -10.303 -4.782 -0.373 1.00 1.00 O ATOM 0 H GLY A 68 -10.739 -1.478 0.118 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.422 -2.166 -0.249 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.641 -3.300 1.068 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.120 -3.731 -1.977 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.442 -4.619 -3.052 1.00 1.00 C ATOM 1065 C TYR A 69 -8.184 -5.185 -3.614 1.00 1.00 C ATOM 1066 O TYR A 69 -7.232 -4.458 -3.894 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.167 -3.858 -4.174 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.452 -3.190 -3.825 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -12.274 -3.564 -2.787 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.830 -2.119 -4.599 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.414 -2.854 -2.492 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.968 -1.401 -4.318 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.757 -1.759 -3.251 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.902 -1.000 -2.932 1.00 1.00 O ATOM 0 H TYR A 69 -8.482 -2.985 -2.256 1.00 1.00 H new ATOM 0 HA TYR A 69 -10.086 -5.411 -2.669 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.487 -3.100 -4.562 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.360 -4.558 -4.987 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -12.020 -4.430 -2.194 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -11.221 -1.836 -5.445 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -14.040 -3.156 -1.665 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -13.242 -0.557 -4.934 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.994 -0.262 -3.571 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.108 -6.512 -3.815 1.00 1.00 N ATOM 1085 CA HIS A 70 -7.013 -7.157 -4.469 1.00 1.00 C ATOM 1086 C HIS A 70 -7.164 -7.258 -5.948 1.00 1.00 C ATOM 1087 O HIS A 70 -8.260 -7.142 -6.494 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.639 -8.509 -3.836 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.722 -9.541 -3.721 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.262 -10.100 -2.606 1.00 1.00 N flip ATOM 1091 CD2 HIS A 70 -8.295 -10.176 -4.793 1.00 1.00 C flip ATOM 1092 CE1 HIS A 70 -9.147 -11.058 -3.026 1.00 1.00 C flip ATOM 1093 NE2 HIS A 70 -9.146 -11.080 -4.346 1.00 1.00 N flip ATOM 0 H HIS A 70 -8.835 -7.159 -3.511 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.169 -6.488 -4.302 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.824 -8.939 -4.418 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.250 -8.317 -2.836 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.084 -9.970 -5.832 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.745 -11.689 -2.385 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -9.713 -11.697 -4.928 1.00 1.00 H new ATOM 1101 N PHE A 71 -6.039 -7.422 -6.666 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.991 -7.145 -8.069 1.00 1.00 C ATOM 1103 C PHE A 71 -5.053 -7.993 -8.858 1.00 1.00 C ATOM 1104 O PHE A 71 -4.021 -8.435 -8.355 1.00 1.00 O ATOM 1105 CB PHE A 71 -5.738 -5.641 -8.267 1.00 1.00 C ATOM 1106 CG PHE A 71 -4.446 -5.079 -7.783 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -4.240 -4.684 -6.481 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -3.477 -4.811 -8.720 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -3.063 -4.071 -6.121 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -2.309 -4.172 -8.377 1.00 1.00 C ATOM 1111 CZ PHE A 71 -2.104 -3.801 -7.069 1.00 1.00 C ATOM 0 H PHE A 71 -5.157 -7.749 -6.272 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.962 -7.420 -8.481 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.817 -5.427 -9.333 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -6.544 -5.099 -7.772 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -5.006 -4.856 -5.739 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -3.636 -5.108 -9.746 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -2.891 -3.800 -5.090 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -1.560 -3.964 -9.127 1.00 1.00 H new ATOM 0 HZ PHE A 71 -1.191 -3.298 -6.786 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.399 -8.250 -10.131 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.754 -9.145 -11.042 1.00 1.00 C ATOM 1123 C ASP A 72 -4.183 -8.425 -12.214 1.00 1.00 C ATOM 1124 O ASP A 72 -4.360 -7.222 -12.404 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.752 -10.153 -11.636 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.292 -11.121 -10.593 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -7.275 -10.765 -9.890 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -5.811 -12.285 -10.555 1.00 1.00 O ATOM 0 H ASP A 72 -6.202 -7.790 -10.560 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.976 -9.638 -10.459 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.583 -9.613 -12.090 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.265 -10.716 -12.432 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.467 -9.160 -13.085 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.818 -8.665 -14.260 1.00 1.00 C ATOM 1135 C LEU A 73 -3.465 -9.161 -15.507 1.00 1.00 C ATOM 1136 O LEU A 73 -3.443 -10.355 -15.804 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.364 -9.164 -14.234 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.464 -8.708 -15.394 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.404 -7.172 -15.472 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.950 -9.288 -15.231 1.00 1.00 C ATOM 0 H LEU A 73 -3.334 -10.163 -12.960 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.881 -7.577 -14.261 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.908 -8.838 -13.299 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.377 -10.254 -14.220 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.893 -9.080 -16.324 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.239 -6.875 -16.300 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.407 -6.776 -15.631 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.001 -6.776 -14.540 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.577 -8.957 -16.059 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.379 -8.942 -14.291 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.898 -10.377 -15.227 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.026 -8.251 -16.324 1.00 1.00 N ATOM 1153 CA LYS A 74 -4.369 -8.520 -17.685 1.00 1.00 C ATOM 1154 C LYS A 74 -3.172 -8.609 -18.567 1.00 1.00 C ATOM 1155 O LYS A 74 -3.083 -9.472 -19.442 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.319 -7.453 -18.255 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.750 -7.950 -18.474 1.00 1.00 C ATOM 1158 CD LYS A 74 -6.942 -9.078 -19.489 1.00 1.00 C ATOM 1159 CE LYS A 74 -6.732 -8.726 -20.963 1.00 1.00 C ATOM 1160 NZ LYS A 74 -5.368 -9.029 -21.449 1.00 1.00 N ATOM 0 H LYS A 74 -4.247 -7.300 -16.028 1.00 1.00 H new ATOM 0 HA LYS A 74 -4.870 -9.488 -17.673 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.341 -6.600 -17.576 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -4.920 -7.095 -19.204 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.143 -8.286 -17.515 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.359 -7.103 -18.789 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -6.257 -9.886 -19.232 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.953 -9.469 -19.374 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -7.455 -9.274 -21.567 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -6.934 -7.665 -21.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -5.020 -8.236 -22.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -4.734 -9.171 -20.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -5.389 -9.893 -22.027 1.00 1.00 H new ATOM 1174 N GLY A 75 -2.198 -7.701 -18.388 1.00 1.00 N ATOM 1175 CA GLY A 75 -0.990 -7.725 -19.154 1.00 1.00 C ATOM 1176 C GLY A 75 -0.217 -6.459 -19.009 1.00 1.00 C ATOM 1177 O GLY A 75 0.875 -6.421 -18.445 1.00 1.00 O ATOM 0 H GLY A 75 -2.247 -6.943 -17.707 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -0.374 -8.566 -18.835 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -1.229 -7.886 -20.205 1.00 1.00 H new ATOM 1181 N ASP A 76 -0.786 -5.354 -19.523 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.202 -4.049 -19.504 1.00 1.00 C ATOM 1183 C ASP A 76 -0.933 -3.131 -18.585 1.00 1.00 C ATOM 1184 O ASP A 76 -0.645 -1.938 -18.498 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.141 -3.542 -20.954 1.00 1.00 C ATOM 1186 CG ASP A 76 -1.488 -3.451 -21.657 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -2.306 -4.409 -21.609 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.720 -2.400 -22.314 1.00 1.00 O ATOM 0 H ASP A 76 -1.700 -5.372 -19.975 1.00 1.00 H new ATOM 0 HA ASP A 76 0.811 -4.088 -19.103 1.00 1.00 H new ATOM 0 HB2 ASP A 76 0.323 -2.556 -20.960 1.00 1.00 H new ATOM 0 HB3 ASP A 76 0.508 -4.203 -21.528 1.00 1.00 H new ATOM 1193 N GLU A 77 -1.915 -3.664 -17.835 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.756 -2.936 -16.936 1.00 1.00 C ATOM 1195 C GLU A 77 -3.128 -3.940 -15.901 1.00 1.00 C ATOM 1196 O GLU A 77 -3.455 -5.090 -16.187 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.958 -2.285 -17.642 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.712 -1.280 -16.767 1.00 1.00 C ATOM 1199 CD GLU A 77 -5.581 -0.353 -17.606 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -5.018 0.516 -18.324 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -6.834 -0.483 -17.568 1.00 1.00 O ATOM 0 H GLU A 77 -2.134 -4.660 -17.858 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.255 -2.076 -16.492 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.610 -1.780 -18.543 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.648 -3.066 -17.961 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.335 -1.815 -16.050 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -3.999 -0.690 -16.191 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.996 -3.510 -14.633 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.415 -4.242 -13.478 1.00 1.00 C ATOM 1210 C TRP A 78 -4.830 -3.845 -13.242 1.00 1.00 C ATOM 1211 O TRP A 78 -5.208 -2.684 -13.390 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.463 -3.985 -12.298 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.135 -4.700 -12.373 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.015 -4.321 -13.005 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.847 -5.962 -11.742 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.989 -5.268 -12.828 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.473 -6.292 -12.070 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.600 -6.794 -10.956 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.023 -7.469 -11.641 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -1.022 -7.952 -10.494 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.268 -8.286 -10.835 1.00 1.00 C ATOM 0 H TRP A 78 -2.577 -2.609 -14.403 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.371 -5.323 -13.613 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.277 -2.913 -12.230 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.965 -4.281 -11.377 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.139 -3.405 -13.564 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.939 -5.221 -13.197 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.621 -6.546 -10.706 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.026 -7.749 -11.929 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.590 -8.610 -9.853 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.694 -9.206 -10.463 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.702 -4.829 -12.958 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.126 -4.744 -13.057 1.00 1.00 C ATOM 1234 C ILE A 79 -7.637 -5.341 -11.790 1.00 1.00 C ATOM 1235 O ILE A 79 -7.135 -6.348 -11.296 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.644 -5.411 -14.296 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.972 -6.162 -14.101 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -6.603 -6.386 -14.873 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.677 -6.555 -15.399 1.00 1.00 C ATOM 0 H ILE A 79 -5.390 -5.746 -12.638 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.475 -3.717 -13.162 1.00 1.00 H new ATOM 0 HB ILE A 79 -7.835 -4.595 -14.993 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.782 -7.064 -13.519 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.644 -5.538 -13.512 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.004 -6.856 -15.771 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -5.693 -5.840 -15.124 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.374 -7.153 -14.133 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -10.604 -7.079 -15.165 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.903 -5.658 -15.976 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.028 -7.208 -15.982 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.649 -4.715 -11.163 1.00 1.00 N ATOM 1252 CA CYS A 80 -9.116 -5.123 -9.873 1.00 1.00 C ATOM 1253 C CYS A 80 -9.997 -6.322 -9.953 1.00 1.00 C ATOM 1254 O CYS A 80 -10.857 -6.407 -10.829 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.833 -3.978 -9.141 1.00 1.00 C ATOM 1256 SG CYS A 80 -8.792 -2.494 -8.986 1.00 1.00 S ATOM 0 H CYS A 80 -9.149 -3.917 -11.555 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.233 -5.395 -9.295 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.747 -3.723 -9.678 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.130 -4.315 -8.148 1.00 1.00 H new ATOM 0 HG CYS A 80 -8.799 -2.086 -7.752 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.836 -7.297 -9.042 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.635 -8.480 -8.951 1.00 1.00 C ATOM 1264 C ASP A 81 -11.982 -8.132 -8.418 1.00 1.00 C ATOM 1265 O ASP A 81 -13.025 -8.359 -9.028 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.921 -9.477 -8.022 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.633 -10.808 -7.824 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.311 -11.317 -8.756 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.550 -11.357 -6.693 1.00 1.00 O ATOM 0 H ASP A 81 -9.108 -7.258 -8.329 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.765 -8.932 -9.934 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.926 -9.672 -8.422 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.786 -9.008 -7.048 1.00 1.00 H new ATOM 1274 N ARG A 82 -11.976 -7.512 -7.223 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.133 -7.053 -6.519 1.00 1.00 C ATOM 1276 C ARG A 82 -13.694 -5.845 -7.189 1.00 1.00 C ATOM 1277 O ARG A 82 -12.961 -4.919 -7.528 1.00 1.00 O ATOM 1278 CB ARG A 82 -12.662 -6.783 -5.081 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.715 -6.489 -4.010 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.725 -7.614 -3.771 1.00 1.00 C ATOM 1281 NE ARG A 82 -15.049 -7.675 -2.318 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.538 -6.639 -1.577 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -16.108 -5.523 -2.119 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.464 -6.693 -0.214 1.00 1.00 N ATOM 0 H ARG A 82 -11.110 -7.320 -6.719 1.00 1.00 H new ATOM 0 HA ARG A 82 -13.943 -7.782 -6.512 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.088 -7.649 -4.752 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -11.975 -5.938 -5.111 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.206 -6.272 -3.071 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -14.258 -5.587 -4.293 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.630 -7.437 -4.351 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -14.314 -8.566 -4.105 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.893 -8.562 -1.839 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -16.186 -5.431 -3.132 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -16.456 -4.781 -1.511 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -15.046 -7.504 0.242 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.827 -5.923 0.347 1.00 1.00 H new ATOM 1298 N SER A 83 -15.007 -5.864 -7.482 1.00 1.00 N ATOM 1299 CA SER A 83 -15.732 -4.921 -8.275 1.00 1.00 C ATOM 1300 C SER A 83 -15.528 -5.115 -9.738 1.00 1.00 C ATOM 1301 O SER A 83 -16.465 -5.412 -10.479 1.00 1.00 O ATOM 1302 CB SER A 83 -15.538 -3.441 -7.907 1.00 1.00 C ATOM 1303 OG SER A 83 -16.480 -2.598 -8.555 1.00 1.00 O ATOM 0 H SER A 83 -15.613 -6.606 -7.132 1.00 1.00 H new ATOM 0 HA SER A 83 -16.767 -5.153 -8.023 1.00 1.00 H new ATOM 0 HB2 SER A 83 -15.629 -3.322 -6.827 1.00 1.00 H new ATOM 0 HB3 SER A 83 -14.529 -3.131 -8.178 1.00 1.00 H new ATOM 0 HG SER A 83 -16.153 -1.674 -8.545 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.285 -4.948 -10.222 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.934 -5.032 -11.605 1.00 1.00 C ATOM 1311 C GLY A 84 -13.559 -3.693 -12.138 1.00 1.00 C ATOM 1312 O GLY A 84 -14.306 -3.073 -12.893 1.00 1.00 O ATOM 0 H GLY A 84 -13.487 -4.745 -9.620 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.102 -5.725 -11.732 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.773 -5.433 -12.174 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.380 -3.204 -11.716 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.918 -1.869 -11.939 1.00 1.00 C ATOM 1318 C GLU A 85 -10.487 -1.902 -12.353 1.00 1.00 C ATOM 1319 O GLU A 85 -10.074 -2.825 -13.053 1.00 1.00 O ATOM 1320 CB GLU A 85 -12.234 -0.950 -10.746 1.00 1.00 C ATOM 1321 CG GLU A 85 -13.742 -0.841 -10.516 1.00 1.00 C ATOM 1322 CD GLU A 85 -14.220 0.100 -9.419 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.570 1.139 -9.123 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -15.325 -0.184 -8.883 1.00 1.00 O ATOM 0 H GLU A 85 -11.713 -3.770 -11.191 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.465 -1.416 -12.766 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.754 -1.338 -9.848 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.819 0.041 -10.927 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -14.203 -0.527 -11.453 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -14.121 -1.838 -10.292 1.00 1.00 H new ATOM 1331 N THR A 86 -9.663 -0.906 -11.984 1.00 1.00 N ATOM 1332 CA THR A 86 -8.457 -0.569 -12.674 1.00 1.00 C ATOM 1333 C THR A 86 -7.410 -0.156 -11.698 1.00 1.00 C ATOM 1334 O THR A 86 -7.714 0.664 -10.833 1.00 1.00 O ATOM 1335 CB THR A 86 -8.654 0.663 -13.507 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.709 0.475 -14.439 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.410 1.032 -14.334 1.00 1.00 C ATOM 0 H THR A 86 -9.843 -0.313 -11.174 1.00 1.00 H new ATOM 0 HA THR A 86 -8.181 -1.443 -13.264 1.00 1.00 H new ATOM 0 HB THR A 86 -8.874 1.459 -12.795 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.824 1.289 -14.972 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.613 1.931 -14.916 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.569 1.215 -13.665 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.165 0.211 -15.008 1.00 1.00 H new ATOM 1345 N PHE A 87 -6.145 -0.610 -11.782 1.00 1.00 N ATOM 1346 CA PHE A 87 -5.156 -0.252 -10.813 1.00 1.00 C ATOM 1347 C PHE A 87 -4.828 1.194 -10.672 1.00 1.00 C ATOM 1348 O PHE A 87 -5.254 1.832 -9.710 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.910 -1.112 -11.087 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.736 -0.846 -10.210 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -2.849 -0.863 -8.839 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.525 -0.548 -10.790 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -1.764 -0.566 -8.049 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.434 -0.257 -10.005 1.00 1.00 C ATOM 1355 CZ PHE A 87 -0.560 -0.254 -8.635 1.00 1.00 C ATOM 0 H PHE A 87 -5.808 -1.226 -12.522 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.591 -0.460 -9.835 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -4.186 -2.162 -10.985 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.608 -0.961 -12.123 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -3.795 -1.111 -8.381 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.431 -0.543 -11.866 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -1.857 -0.578 -6.973 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.518 -0.032 -10.462 1.00 1.00 H new ATOM 0 HZ PHE A 87 0.290 -0.006 -8.017 1.00 1.00 H new ATOM 1365 N TRP A 88 -4.046 1.796 -11.586 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.496 3.109 -11.445 1.00 1.00 C ATOM 1367 C TRP A 88 -4.505 4.196 -11.312 1.00 1.00 C ATOM 1368 O TRP A 88 -4.280 5.195 -10.630 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.573 3.435 -12.632 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.517 2.421 -13.003 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.555 1.559 -14.062 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.218 2.265 -12.402 1.00 1.00 C ATOM 1373 NE1 TRP A 88 -0.383 0.855 -14.145 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.459 1.292 -13.148 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.391 2.881 -11.345 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 1.745 0.943 -12.842 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.678 2.509 -11.031 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.345 1.563 -11.773 1.00 1.00 C ATOM 0 H TRP A 88 -3.785 1.347 -12.464 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.941 3.080 -10.507 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -3.200 3.601 -13.508 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -2.071 4.378 -12.416 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -2.390 1.448 -14.738 1.00 1.00 H new ATOM 0 HE1 TRP A 88 -0.170 0.130 -14.830 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.123 3.638 -10.772 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.273 0.202 -13.423 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.173 2.968 -10.188 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.360 1.302 -11.510 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.676 4.031 -11.953 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.786 4.932 -11.914 1.00 1.00 C ATOM 1391 C ASP A 89 -7.587 4.821 -10.663 1.00 1.00 C ATOM 1392 O ASP A 89 -8.082 5.815 -10.130 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.651 4.758 -13.172 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.500 5.994 -13.443 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -8.015 6.926 -14.139 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.669 6.045 -12.978 1.00 1.00 O ATOM 0 H ASP A 89 -5.858 3.214 -12.536 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.384 5.945 -11.906 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.010 4.561 -14.031 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.299 3.890 -13.052 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.769 3.621 -10.085 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.453 3.491 -8.835 1.00 1.00 C ATOM 1403 C LEU A 90 -7.630 4.034 -7.717 1.00 1.00 C ATOM 1404 O LEU A 90 -8.104 4.733 -6.823 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.801 2.029 -8.507 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.619 1.842 -7.219 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -11.014 2.488 -7.288 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.744 0.352 -6.856 1.00 1.00 C ATOM 0 H LEU A 90 -7.443 2.740 -10.483 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.377 4.060 -8.938 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.360 1.606 -9.342 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.876 1.459 -8.421 1.00 1.00 H new ATOM 0 HG LEU A 90 -9.067 2.360 -6.435 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.540 2.320 -6.348 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.911 3.559 -7.460 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.581 2.043 -8.105 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.327 0.248 -5.941 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.243 -0.179 -7.667 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.751 -0.070 -6.703 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.319 3.740 -7.763 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.290 4.302 -6.942 1.00 1.00 C ATOM 1422 C LEU A 91 -5.222 5.791 -6.986 1.00 1.00 C ATOM 1423 O LEU A 91 -5.013 6.445 -5.965 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.953 3.661 -7.343 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.724 3.998 -6.480 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.921 3.671 -4.989 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.490 3.260 -7.024 1.00 1.00 C ATOM 0 H LEU A 91 -5.951 3.057 -8.425 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.527 4.075 -5.903 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -4.082 2.579 -7.338 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.734 3.951 -8.371 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.578 5.076 -6.544 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -2.018 3.932 -4.437 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.763 4.243 -4.599 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -3.121 2.606 -4.874 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.622 3.501 -6.410 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.667 2.185 -6.995 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.305 3.570 -8.052 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.446 6.406 -8.161 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.623 7.814 -8.340 1.00 1.00 C ATOM 1441 C GLU A 92 -6.796 8.354 -7.594 1.00 1.00 C ATOM 1442 O GLU A 92 -6.653 9.261 -6.777 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.740 8.149 -9.836 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.666 9.639 -10.178 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.924 9.853 -11.662 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -7.111 9.771 -12.076 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -4.961 10.100 -12.434 1.00 1.00 O ATOM 0 H GLU A 92 -5.507 5.889 -9.038 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.739 8.298 -7.924 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.945 7.630 -10.371 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.685 7.754 -10.208 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -6.400 10.191 -9.591 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.685 10.032 -9.912 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.996 7.782 -7.797 1.00 1.00 N ATOM 1455 CA GLN A 93 -9.206 8.098 -7.103 1.00 1.00 C ATOM 1456 C GLN A 93 -9.085 8.072 -5.618 1.00 1.00 C ATOM 1457 O GLN A 93 -9.397 9.049 -4.941 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.313 7.130 -7.553 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.711 7.319 -6.961 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.879 6.677 -5.591 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -11.560 5.509 -5.368 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.403 7.462 -4.612 1.00 1.00 N ATOM 0 H GLN A 93 -8.129 7.049 -8.494 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.452 9.128 -7.362 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -10.397 7.198 -8.638 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.986 6.116 -7.322 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.923 8.385 -6.883 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -12.447 6.897 -7.645 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -12.661 8.427 -4.816 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.538 7.085 -3.674 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.594 6.942 -5.079 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.304 6.683 -3.702 1.00 1.00 C ATOM 1473 C ALA A 94 -7.434 7.711 -3.063 1.00 1.00 C ATOM 1474 O ALA A 94 -7.788 8.336 -2.064 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.577 5.330 -3.608 1.00 1.00 C ATOM 0 H ALA A 94 -8.380 6.134 -5.664 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.258 6.693 -3.174 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.346 5.113 -2.565 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.217 4.544 -4.009 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.652 5.373 -4.183 1.00 1.00 H new ATOM 1481 N ALA A 95 -6.252 7.956 -3.656 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.324 8.949 -3.214 1.00 1.00 C ATOM 1483 C ALA A 95 -5.846 10.345 -3.253 1.00 1.00 C ATOM 1484 O ALA A 95 -5.724 11.086 -2.281 1.00 1.00 O ATOM 1485 CB ALA A 95 -4.023 8.821 -4.026 1.00 1.00 C ATOM 0 H ALA A 95 -5.930 7.442 -4.476 1.00 1.00 H new ATOM 0 HA ALA A 95 -5.136 8.755 -2.158 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -3.311 9.576 -3.693 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.597 7.829 -3.876 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -4.239 8.967 -5.084 1.00 1.00 H new ATOM 1491 N THR A 96 -6.523 10.772 -4.334 1.00 1.00 N ATOM 1492 CA THR A 96 -7.147 12.054 -4.436 1.00 1.00 C ATOM 1493 C THR A 96 -8.269 12.255 -3.474 1.00 1.00 C ATOM 1494 O THR A 96 -8.611 13.375 -3.098 1.00 1.00 O ATOM 1495 CB THR A 96 -7.591 12.379 -5.832 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.461 12.369 -6.692 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.196 13.784 -5.983 1.00 1.00 C ATOM 0 H THR A 96 -6.640 10.201 -5.171 1.00 1.00 H new ATOM 0 HA THR A 96 -6.360 12.756 -4.161 1.00 1.00 H new ATOM 0 HB THR A 96 -8.346 11.632 -6.077 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.699 12.783 -6.236 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.492 13.943 -7.020 1.00 1.00 H new ATOM 0 HG22 THR A 96 -9.070 13.875 -5.338 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.455 14.532 -5.699 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.853 11.158 -2.960 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.819 11.175 -1.907 1.00 1.00 C ATOM 1507 C GLN A 97 -9.171 11.453 -0.595 1.00 1.00 C ATOM 1508 O GLN A 97 -9.412 12.474 0.046 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.615 9.860 -1.924 1.00 1.00 C ATOM 1510 CG GLN A 97 -11.095 9.210 -0.625 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.986 10.106 0.223 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.942 10.727 -0.237 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.659 10.196 1.540 1.00 1.00 N ATOM 0 H GLN A 97 -8.642 10.218 -3.294 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.527 11.988 -2.066 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.498 10.030 -2.541 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.001 9.123 -2.442 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -11.640 8.298 -0.867 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -10.227 8.916 -0.035 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.862 9.674 1.905 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.210 10.786 2.163 1.00 1.00 H new ATOM 1522 N GLN A 98 -8.306 10.537 -0.121 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.778 10.613 1.205 1.00 1.00 C ATOM 1524 C GLN A 98 -6.691 11.613 1.406 1.00 1.00 C ATOM 1525 O GLN A 98 -6.572 12.168 2.496 1.00 1.00 O ATOM 1526 CB GLN A 98 -7.435 9.197 1.696 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.276 8.529 0.953 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.246 7.023 1.176 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.482 6.234 0.263 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.956 6.597 2.434 1.00 1.00 N ATOM 0 H GLN A 98 -7.971 9.739 -0.661 1.00 1.00 H new ATOM 0 HA GLN A 98 -8.562 11.021 1.842 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -7.190 9.244 2.757 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -8.321 8.569 1.601 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.363 8.736 -0.114 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.334 8.963 1.286 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.765 7.276 3.171 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.930 5.599 2.641 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.890 11.943 0.377 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.939 13.010 0.424 1.00 1.00 C ATOM 1541 C ALA A 99 -5.534 14.331 0.080 1.00 1.00 C ATOM 1542 O ALA A 99 -5.317 15.326 0.771 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.771 12.755 -0.543 1.00 1.00 C ATOM 0 H ALA A 99 -5.905 11.451 -0.517 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.587 13.039 1.455 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.064 13.583 -0.486 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.268 11.828 -0.269 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.152 12.674 -1.561 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.331 14.402 -1.002 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.946 15.610 -1.457 1.00 1.00 C ATOM 1551 C GLY A 100 -6.196 16.324 -2.529 1.00 1.00 C ATOM 1552 O GLY A 100 -6.245 17.550 -2.613 1.00 1.00 O ATOM 0 H GLY A 100 -6.554 13.591 -1.579 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.945 15.377 -1.825 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.068 16.282 -0.608 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.488 15.598 -3.412 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.743 16.188 -4.481 1.00 1.00 C ATOM 1558 C GLU A 101 -4.527 15.166 -5.543 1.00 1.00 C ATOM 1559 O GLU A 101 -4.717 13.975 -5.303 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.416 16.810 -4.019 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.391 15.848 -3.413 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.286 16.590 -2.677 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.612 17.469 -3.277 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.103 16.341 -1.455 1.00 1.00 O ATOM 0 H GLU A 101 -5.432 14.580 -3.383 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.326 17.017 -4.882 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -2.956 17.307 -4.873 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.638 17.582 -3.282 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.893 15.168 -2.725 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -1.955 15.237 -4.203 1.00 1.00 H new ATOM 1571 N THR A 102 -4.160 15.550 -6.779 1.00 1.00 N ATOM 1572 CA THR A 102 -3.959 14.621 -7.846 1.00 1.00 C ATOM 1573 C THR A 102 -2.651 13.912 -7.749 1.00 1.00 C ATOM 1574 O THR A 102 -1.645 14.270 -8.362 1.00 1.00 O ATOM 1575 CB THR A 102 -4.155 15.148 -9.237 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.481 15.632 -9.387 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.993 14.053 -10.306 1.00 1.00 C ATOM 0 H THR A 102 -4.000 16.523 -7.041 1.00 1.00 H new ATOM 0 HA THR A 102 -4.774 13.914 -7.691 1.00 1.00 H new ATOM 0 HB THR A 102 -3.403 15.925 -9.374 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.603 15.976 -10.296 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.144 14.485 -11.295 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.990 13.630 -10.244 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.729 13.267 -10.137 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.665 12.820 -6.966 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.645 11.822 -6.865 1.00 1.00 C ATOM 1587 C VAL A 103 -1.896 10.843 -7.962 1.00 1.00 C ATOM 1588 O VAL A 103 -2.772 9.983 -7.893 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.714 11.135 -5.535 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.575 10.111 -5.390 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.620 12.166 -4.397 1.00 1.00 C ATOM 0 H VAL A 103 -3.455 12.619 -6.353 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.654 12.268 -6.952 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.669 10.613 -5.475 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.645 9.624 -4.417 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.657 9.362 -6.177 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.385 10.620 -5.473 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.671 11.653 -3.436 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.675 12.704 -4.471 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.447 12.872 -4.476 1.00 1.00 H new ATOM 1601 N SER A 104 -1.124 10.983 -9.054 1.00 1.00 N ATOM 1602 CA SER A 104 -1.259 10.230 -10.263 1.00 1.00 C ATOM 1603 C SER A 104 0.108 9.969 -10.796 1.00 1.00 C ATOM 1604 O SER A 104 1.046 10.698 -10.478 1.00 1.00 O ATOM 1605 CB SER A 104 -2.081 11.007 -11.304 1.00 1.00 C ATOM 1606 OG SER A 104 -2.304 10.279 -12.503 1.00 1.00 O ATOM 0 H SER A 104 -0.362 11.660 -9.096 1.00 1.00 H new ATOM 0 HA SER A 104 -1.780 9.295 -10.056 1.00 1.00 H new ATOM 0 HB2 SER A 104 -3.042 11.278 -10.868 1.00 1.00 H new ATOM 0 HB3 SER A 104 -1.565 11.937 -11.543 1.00 1.00 H new ATOM 0 HG SER A 104 -3.227 9.949 -12.519 1.00 1.00 H new ATOM 1612 N PHE A 105 0.313 8.901 -11.588 1.00 1.00 N ATOM 1613 CA PHE A 105 1.566 8.607 -12.211 1.00 1.00 C ATOM 1614 C PHE A 105 1.515 8.783 -13.690 1.00 1.00 C ATOM 1615 O PHE A 105 2.552 8.882 -14.343 1.00 1.00 O ATOM 1616 CB PHE A 105 2.111 7.262 -11.700 1.00 1.00 C ATOM 1617 CG PHE A 105 2.424 6.205 -12.703 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.419 5.428 -13.229 1.00 1.00 C ATOM 1619 CD2 PHE A 105 3.719 5.995 -13.117 1.00 1.00 C ATOM 1620 CE1 PHE A 105 1.703 4.456 -14.159 1.00 1.00 C ATOM 1621 CE2 PHE A 105 4.012 5.012 -14.034 1.00 1.00 C ATOM 1622 CZ PHE A 105 3.000 4.243 -14.558 1.00 1.00 C ATOM 0 H PHE A 105 -0.416 8.221 -11.801 1.00 1.00 H new ATOM 0 HA PHE A 105 2.311 9.344 -11.910 1.00 1.00 H new ATOM 0 HB2 PHE A 105 3.020 7.464 -11.134 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.384 6.852 -10.999 1.00 1.00 H new ATOM 0 HD1 PHE A 105 0.399 5.582 -12.909 1.00 1.00 H new ATOM 0 HD2 PHE A 105 4.514 6.608 -12.718 1.00 1.00 H new ATOM 0 HE1 PHE A 105 0.905 3.859 -14.576 1.00 1.00 H new ATOM 0 HE2 PHE A 105 5.034 4.845 -14.341 1.00 1.00 H new ATOM 0 HZ PHE A 105 3.224 3.473 -15.282 1.00 1.00 H new ATOM 1632 N ARG A 106 0.315 8.840 -14.298 1.00 1.00 N ATOM 1633 CA ARG A 106 0.153 8.739 -15.714 1.00 1.00 C ATOM 1634 C ARG A 106 0.188 10.058 -16.474 1.00 1.00 C ATOM 1635 O ARG A 106 1.093 10.249 -17.328 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.159 8.020 -16.070 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.249 6.611 -15.481 1.00 1.00 C ATOM 1638 CD ARG A 106 -2.047 5.609 -16.318 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.246 5.399 -17.557 1.00 1.00 N ATOM 1640 CZ ARG A 106 -1.346 4.329 -18.398 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -2.284 3.351 -18.240 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -0.457 4.246 -19.430 1.00 1.00 N ATOM 1643 OXT ARG A 106 -0.715 10.915 -16.282 1.00 1.00 O ATOM 0 H ARG A 106 -0.563 8.959 -13.792 1.00 1.00 H new ATOM 0 HA ARG A 106 1.025 8.168 -16.031 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.000 8.612 -15.710 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.251 7.961 -17.154 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -0.239 6.225 -15.346 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -1.701 6.676 -14.491 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -2.189 4.672 -15.779 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -3.039 5.995 -16.553 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.563 6.118 -17.797 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -2.948 3.402 -17.468 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -2.321 2.569 -18.894 1.00 1.00 H new ATOM 0 HH21 ARG A 106 0.252 4.970 -19.552 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -0.501 3.460 -20.079 1.00 1.00 H new