USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 17 HIS :FLIP no HE2:sc= -5.41! C(o=-8.8!,f=-7.5!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= -2.14! USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.493 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 1 LYS N :NH3+ -142:sc= -0.282 (180deg=-1.51!) USER MOD Single : A 1 LYS NZ :NH3+ -160:sc= -0.354 (180deg=-1.61!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.21! C(o=-2.2!,f=-6.9!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 18 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.46 USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.259 (180deg=-1.52!) USER MOD Single : A 22 LYS NZ :NH3+ 153:sc= -0.107 (180deg=-0.666) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -2.05 F(o=-5.4!,f=-2) USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.06 USER MOD Single : A 47 TYR OH : rot -171:sc= -10! USER MOD Single : A 55 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.086) USER MOD Single : A 58 GLN : amide:sc= -4.4! C(o=-4.4!,f=-12!) USER MOD Single : A 59 SER OG : rot -86:sc= 1.02 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 65 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.96!) USER MOD Single : A 69 SER OG : rot 83:sc= 0.246 USER MOD Single : A 72 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.64) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -170:sc= 0 USER MOD Single : A 89 SER OG : rot -69:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.535 4.244 9.104 1.00 0.00 N ATOM 2 CA LYS A 1 -7.257 3.576 9.480 1.00 0.00 C ATOM 3 C LYS A 1 -6.092 4.288 8.790 1.00 0.00 C ATOM 4 O LYS A 1 -6.201 4.735 7.665 1.00 0.00 O ATOM 5 CB LYS A 1 -7.296 2.112 9.037 1.00 0.00 C ATOM 6 CG LYS A 1 -8.537 1.436 9.622 1.00 0.00 C ATOM 7 CD LYS A 1 -8.111 0.376 10.639 1.00 0.00 C ATOM 8 CE LYS A 1 -9.336 -0.114 11.412 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.165 1.057 11.820 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.170 4.268 9.927 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.339 5.216 8.790 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.989 3.715 8.332 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.125 3.623 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.314 2.050 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.396 1.596 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.176 2.178 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.123 0.976 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.632 -0.460 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.376 0.793 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.924 -0.791 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.024 -0.677 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.788 0.784 12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.543 1.833 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.743 1.371 11.014 1.00 0.00 H new ATOM 25 N LYS A 2 -4.975 4.403 9.451 1.00 0.00 N ATOM 26 CA LYS A 2 -3.821 5.093 8.818 1.00 0.00 C ATOM 27 C LYS A 2 -2.721 4.076 8.488 1.00 0.00 C ATOM 28 O LYS A 2 -2.096 3.506 9.361 1.00 0.00 O ATOM 29 CB LYS A 2 -3.295 6.191 9.762 1.00 0.00 C ATOM 30 CG LYS A 2 -2.256 5.623 10.735 1.00 0.00 C ATOM 31 CD LYS A 2 -1.873 6.696 11.756 1.00 0.00 C ATOM 32 CE LYS A 2 -0.832 7.636 11.144 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.687 8.843 12.005 1.00 0.00 N ATOM 0 H LYS A 2 -4.813 4.052 10.395 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.140 5.562 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.850 6.996 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.125 6.624 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.660 4.748 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.372 5.294 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.756 7.260 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.473 6.230 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.126 7.125 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.136 7.927 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.020 9.483 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.601 9.334 12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.379 8.556 12.956 1.00 0.00 H new ATOM 47 N ALA A 3 -2.478 3.850 7.227 1.00 0.00 N ATOM 48 CA ALA A 3 -1.418 2.888 6.831 1.00 0.00 C ATOM 49 C ALA A 3 -0.110 3.656 6.643 1.00 0.00 C ATOM 50 O ALA A 3 -0.109 4.814 6.270 1.00 0.00 O ATOM 51 CB ALA A 3 -1.806 2.204 5.517 1.00 0.00 C ATOM 0 H ALA A 3 -2.971 4.293 6.452 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.298 2.128 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.026 1.499 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.747 1.670 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.922 2.955 4.736 1.00 0.00 H new ATOM 57 N VAL A 4 1.002 3.030 6.902 1.00 0.00 N ATOM 58 CA VAL A 4 2.298 3.741 6.740 1.00 0.00 C ATOM 59 C VAL A 4 3.306 2.826 6.048 1.00 0.00 C ATOM 60 O VAL A 4 3.503 1.690 6.433 1.00 0.00 O ATOM 61 CB VAL A 4 2.835 4.146 8.113 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.207 4.803 7.950 1.00 0.00 C ATOM 63 CG2 VAL A 4 1.869 5.139 8.763 1.00 0.00 C ATOM 0 H VAL A 4 1.070 2.062 7.217 1.00 0.00 H new ATOM 0 HA VAL A 4 2.145 4.633 6.132 1.00 0.00 H new ATOM 0 HB VAL A 4 2.928 3.262 8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.591 5.092 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.895 4.098 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.114 5.688 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.250 5.429 9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.778 6.023 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.891 4.673 8.878 1.00 0.00 H new ATOM 73 N ILE A 5 3.945 3.320 5.030 1.00 0.00 N ATOM 74 CA ILE A 5 4.946 2.500 4.300 1.00 0.00 C ATOM 75 C ILE A 5 6.341 2.903 4.766 1.00 0.00 C ATOM 76 O ILE A 5 6.769 4.022 4.573 1.00 0.00 O ATOM 77 CB ILE A 5 4.806 2.761 2.800 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.309 2.754 2.421 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.580 1.695 2.015 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.845 1.352 2.021 1.00 0.00 C ATOM 0 H ILE A 5 3.816 4.265 4.669 1.00 0.00 H new ATOM 0 HA ILE A 5 4.786 1.440 4.498 1.00 0.00 H new ATOM 0 HB ILE A 5 5.224 3.736 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.716 3.109 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.137 3.446 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.478 1.884 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.634 1.733 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.179 0.709 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.787 1.380 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.422 1.009 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.995 0.667 2.856 1.00 0.00 H new ATOM 92 N ASN A 6 7.048 2.004 5.387 1.00 0.00 N ATOM 93 CA ASN A 6 8.409 2.341 5.876 1.00 0.00 C ATOM 94 C ASN A 6 9.437 1.527 5.095 1.00 0.00 C ATOM 95 O ASN A 6 9.709 0.388 5.409 1.00 0.00 O ATOM 96 CB ASN A 6 8.523 2.007 7.367 1.00 0.00 C ATOM 97 CG ASN A 6 7.162 2.140 8.055 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.159 1.663 7.562 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.094 2.762 9.194 1.00 0.00 N ATOM 0 H ASN A 6 6.741 1.050 5.577 1.00 0.00 H new ATOM 0 HA ASN A 6 8.592 3.406 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.901 0.992 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.243 2.675 7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.199 2.850 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.936 3.162 9.608 1.00 0.00 H new ATOM 106 N GLY A 7 10.012 2.104 4.079 1.00 0.00 N ATOM 107 CA GLY A 7 11.021 1.360 3.282 1.00 0.00 C ATOM 108 C GLY A 7 12.272 1.153 4.130 1.00 0.00 C ATOM 109 O GLY A 7 13.169 0.421 3.764 1.00 0.00 O ATOM 0 H GLY A 7 9.827 3.057 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.617 0.398 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.268 1.914 2.376 1.00 0.00 H new ATOM 113 N GLU A 8 12.339 1.791 5.267 1.00 0.00 N ATOM 114 CA GLU A 8 13.532 1.625 6.136 1.00 0.00 C ATOM 115 C GLU A 8 13.511 0.230 6.757 1.00 0.00 C ATOM 116 O GLU A 8 14.498 -0.245 7.282 1.00 0.00 O ATOM 117 CB GLU A 8 13.516 2.683 7.242 1.00 0.00 C ATOM 118 CG GLU A 8 14.887 2.734 7.920 1.00 0.00 C ATOM 119 CD GLU A 8 15.816 3.653 7.126 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.206 3.270 6.035 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.122 4.725 7.622 1.00 0.00 O ATOM 0 H GLU A 8 11.620 2.418 5.628 1.00 0.00 H new ATOM 0 HA GLU A 8 14.437 1.746 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.269 3.659 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.745 2.446 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.785 3.098 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.313 1.732 7.979 1.00 0.00 H new ATOM 128 N GLN A 9 12.389 -0.427 6.697 1.00 0.00 N ATOM 129 CA GLN A 9 12.287 -1.796 7.277 1.00 0.00 C ATOM 130 C GLN A 9 11.878 -2.783 6.186 1.00 0.00 C ATOM 131 O GLN A 9 12.087 -3.974 6.299 1.00 0.00 O ATOM 132 CB GLN A 9 11.240 -1.802 8.391 1.00 0.00 C ATOM 133 CG GLN A 9 11.344 -3.105 9.185 1.00 0.00 C ATOM 134 CD GLN A 9 9.944 -3.576 9.583 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.113 -3.832 8.735 1.00 0.00 O ATOM 136 NE2 GLN A 9 9.646 -3.701 10.847 1.00 0.00 N ATOM 0 H GLN A 9 11.533 -0.074 6.269 1.00 0.00 H new ATOM 0 HA GLN A 9 13.253 -2.089 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.392 -0.949 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.241 -1.702 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.839 -3.869 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.954 -2.953 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.344 -3.486 11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.715 -4.014 11.123 1.00 0.00 H new ATOM 145 N ILE A 10 11.299 -2.293 5.131 1.00 0.00 N ATOM 146 CA ILE A 10 10.877 -3.194 4.024 1.00 0.00 C ATOM 147 C ILE A 10 12.116 -3.727 3.306 1.00 0.00 C ATOM 148 O ILE A 10 12.739 -3.036 2.525 1.00 0.00 O ATOM 149 CB ILE A 10 10.009 -2.420 3.031 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.734 -1.941 3.733 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.633 -3.330 1.861 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.868 -3.145 4.104 1.00 0.00 C ATOM 0 H ILE A 10 11.098 -1.304 4.985 1.00 0.00 H new ATOM 0 HA ILE A 10 10.303 -4.025 4.433 1.00 0.00 H new ATOM 0 HB ILE A 10 10.565 -1.560 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.991 -1.376 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.178 -1.268 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.014 -2.777 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.539 -3.672 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.077 -4.191 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.962 -2.801 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.599 -3.692 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.424 -3.801 4.773 1.00 0.00 H new ATOM 164 N ARG A 11 12.469 -4.955 3.554 1.00 0.00 N ATOM 165 CA ARG A 11 13.663 -5.538 2.872 1.00 0.00 C ATOM 166 C ARG A 11 13.319 -5.726 1.401 1.00 0.00 C ATOM 167 O ARG A 11 14.098 -5.425 0.518 1.00 0.00 O ATOM 168 CB ARG A 11 14.016 -6.907 3.472 1.00 0.00 C ATOM 169 CG ARG A 11 13.446 -7.027 4.884 1.00 0.00 C ATOM 170 CD ARG A 11 14.087 -8.218 5.598 1.00 0.00 C ATOM 171 NE ARG A 11 14.636 -7.774 6.909 1.00 0.00 N ATOM 172 CZ ARG A 11 15.894 -7.972 7.191 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.815 -7.654 6.324 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.231 -8.491 8.340 1.00 0.00 N ATOM 0 H ARG A 11 11.986 -5.582 4.197 1.00 0.00 H new ATOM 0 HA ARG A 11 14.515 -4.870 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.617 -7.702 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.098 -7.033 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.636 -6.110 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.364 -7.156 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.349 -9.006 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.882 -8.640 4.983 1.00 0.00 H new ATOM 0 HE ARG A 11 14.028 -7.315 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.552 -7.250 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.799 -7.809 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.511 -8.742 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.215 -8.646 8.561 1.00 0.00 H new ATOM 188 N SER A 12 12.145 -6.222 1.141 1.00 0.00 N ATOM 189 CA SER A 12 11.717 -6.440 -0.270 1.00 0.00 C ATOM 190 C SER A 12 10.209 -6.211 -0.380 1.00 0.00 C ATOM 191 O SER A 12 9.515 -6.106 0.611 1.00 0.00 O ATOM 192 CB SER A 12 12.047 -7.873 -0.688 1.00 0.00 C ATOM 193 OG SER A 12 11.190 -8.260 -1.754 1.00 0.00 O ATOM 0 H SER A 12 11.458 -6.488 1.847 1.00 0.00 H new ATOM 0 HA SER A 12 12.242 -5.743 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.089 -7.942 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.922 -8.549 0.158 1.00 0.00 H new ATOM 0 HG SER A 12 11.400 -9.178 -2.026 1.00 0.00 H new ATOM 199 N ILE A 13 9.694 -6.136 -1.576 1.00 0.00 N ATOM 200 CA ILE A 13 8.231 -5.916 -1.740 1.00 0.00 C ATOM 201 C ILE A 13 7.469 -6.896 -0.846 1.00 0.00 C ATOM 202 O ILE A 13 6.340 -6.658 -0.467 1.00 0.00 O ATOM 203 CB ILE A 13 7.839 -6.148 -3.200 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.325 -5.984 -3.354 1.00 0.00 C ATOM 205 CG2 ILE A 13 8.242 -7.564 -3.614 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.922 -4.556 -2.980 1.00 0.00 C ATOM 0 H ILE A 13 10.222 -6.217 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 13 7.982 -4.893 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 13 8.349 -5.423 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.028 -6.199 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.805 -6.698 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.964 -7.732 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.320 -7.683 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.730 -8.288 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.844 -4.442 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.204 -4.357 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.431 -3.850 -3.637 1.00 0.00 H new ATOM 218 N SER A 14 8.081 -7.997 -0.504 1.00 0.00 N ATOM 219 CA SER A 14 7.394 -8.990 0.367 1.00 0.00 C ATOM 220 C SER A 14 6.974 -8.312 1.672 1.00 0.00 C ATOM 221 O SER A 14 5.840 -8.410 2.097 1.00 0.00 O ATOM 222 CB SER A 14 8.348 -10.144 0.675 1.00 0.00 C ATOM 223 OG SER A 14 9.686 -9.663 0.663 1.00 0.00 O ATOM 0 H SER A 14 9.026 -8.251 -0.790 1.00 0.00 H new ATOM 0 HA SER A 14 6.512 -9.376 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.113 -10.575 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.228 -10.937 -0.063 1.00 0.00 H new ATOM 0 HG SER A 14 10.300 -10.400 0.862 1.00 0.00 H new ATOM 229 N ASP A 15 7.879 -7.621 2.310 1.00 0.00 N ATOM 230 CA ASP A 15 7.536 -6.935 3.583 1.00 0.00 C ATOM 231 C ASP A 15 6.574 -5.788 3.292 1.00 0.00 C ATOM 232 O ASP A 15 5.883 -5.297 4.165 1.00 0.00 O ATOM 233 CB ASP A 15 8.817 -6.390 4.210 1.00 0.00 C ATOM 234 CG ASP A 15 9.221 -7.268 5.396 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.273 -8.474 5.223 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.472 -6.717 6.455 1.00 0.00 O ATOM 0 H ASP A 15 8.844 -7.503 2.001 1.00 0.00 H new ATOM 0 HA ASP A 15 7.062 -7.635 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.617 -6.371 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.664 -5.363 4.540 1.00 0.00 H new ATOM 241 N LEU A 16 6.516 -5.369 2.064 1.00 0.00 N ATOM 242 CA LEU A 16 5.595 -4.262 1.690 1.00 0.00 C ATOM 243 C LEU A 16 4.159 -4.753 1.846 1.00 0.00 C ATOM 244 O LEU A 16 3.377 -4.199 2.592 1.00 0.00 O ATOM 245 CB LEU A 16 5.848 -3.868 0.230 1.00 0.00 C ATOM 246 CG LEU A 16 5.084 -2.583 -0.153 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.555 -1.840 1.083 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.036 -1.658 -0.905 1.00 0.00 C ATOM 0 H LEU A 16 7.070 -5.747 1.296 1.00 0.00 H new ATOM 0 HA LEU A 16 5.763 -3.396 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.916 -3.717 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.542 -4.683 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 16 4.231 -2.866 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.024 -0.942 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.875 -2.489 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.390 -1.561 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.511 -0.744 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.883 -1.410 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.395 -2.158 -1.804 1.00 0.00 H new ATOM 260 N HIS A 17 3.815 -5.801 1.153 1.00 0.00 N ATOM 261 CA HIS A 17 2.433 -6.342 1.260 1.00 0.00 C ATOM 262 C HIS A 17 2.148 -6.706 2.713 1.00 0.00 C ATOM 263 O HIS A 17 1.012 -6.798 3.132 1.00 0.00 O ATOM 264 CB HIS A 17 2.303 -7.580 0.372 1.00 0.00 C ATOM 265 CG HIS A 17 2.402 -7.165 -1.070 1.00 0.00 C ATOM 266 ND1 HIS A 17 3.419 -7.266 -1.987 1.00 0.00 N flip ATOM 267 CD2 HIS A 17 1.355 -6.542 -1.732 1.00 0.00 C flip ATOM 268 CE1 HIS A 17 3.012 -6.715 -3.200 1.00 0.00 C flip ATOM 269 NE2 HIS A 17 1.762 -6.294 -2.990 1.00 0.00 N flip ATOM 0 H HIS A 17 4.431 -6.307 0.517 1.00 0.00 H new ATOM 0 HA HIS A 17 1.714 -5.592 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.087 -8.298 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.350 -8.076 0.556 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.333 -7.681 -1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.389 -6.300 -1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.584 -6.644 -4.113 1.00 0.00 H new ATOM 277 N GLN A 18 3.175 -6.899 3.485 1.00 0.00 N ATOM 278 CA GLN A 18 2.978 -7.239 4.921 1.00 0.00 C ATOM 279 C GLN A 18 2.698 -5.952 5.691 1.00 0.00 C ATOM 280 O GLN A 18 1.962 -5.929 6.657 1.00 0.00 O ATOM 281 CB GLN A 18 4.239 -7.906 5.474 1.00 0.00 C ATOM 282 CG GLN A 18 4.440 -9.262 4.796 1.00 0.00 C ATOM 283 CD GLN A 18 5.287 -10.163 5.697 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.012 -11.338 5.832 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.314 -9.657 6.324 1.00 0.00 N ATOM 0 H GLN A 18 4.148 -6.836 3.184 1.00 0.00 H new ATOM 0 HA GLN A 18 2.140 -7.928 5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.106 -7.269 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.151 -8.037 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.475 -9.729 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.931 -9.129 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.545 -8.670 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.885 -10.249 6.927 1.00 0.00 H new ATOM 294 N THR A 19 3.285 -4.883 5.251 1.00 0.00 N ATOM 295 CA THR A 19 3.077 -3.570 5.924 1.00 0.00 C ATOM 296 C THR A 19 1.664 -3.078 5.632 1.00 0.00 C ATOM 297 O THR A 19 1.010 -2.486 6.469 1.00 0.00 O ATOM 298 CB THR A 19 4.112 -2.565 5.399 1.00 0.00 C ATOM 299 OG1 THR A 19 5.357 -2.795 6.043 1.00 0.00 O ATOM 300 CG2 THR A 19 3.652 -1.133 5.679 1.00 0.00 C ATOM 0 H THR A 19 3.909 -4.858 4.444 1.00 0.00 H new ATOM 0 HA THR A 19 3.201 -3.675 7.002 1.00 0.00 H new ATOM 0 HB THR A 19 4.220 -2.696 4.322 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.853 -1.952 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.396 -0.431 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.699 -0.953 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.533 -0.992 6.753 1.00 0.00 H new ATOM 308 N LEU A 20 1.180 -3.348 4.461 1.00 0.00 N ATOM 309 CA LEU A 20 -0.211 -2.927 4.120 1.00 0.00 C ATOM 310 C LEU A 20 -1.149 -3.954 4.728 1.00 0.00 C ATOM 311 O LEU A 20 -2.226 -3.647 5.195 1.00 0.00 O ATOM 312 CB LEU A 20 -0.427 -2.895 2.604 1.00 0.00 C ATOM 313 CG LEU A 20 0.871 -2.524 1.896 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.698 -2.697 0.389 1.00 0.00 C ATOM 315 CD2 LEU A 20 1.225 -1.068 2.210 1.00 0.00 C ATOM 0 H LEU A 20 1.681 -3.841 3.721 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.396 -1.924 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.773 -3.869 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.205 -2.173 2.355 1.00 0.00 H new ATOM 0 HG LEU A 20 1.674 -3.174 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.626 -2.432 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.448 -3.735 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.105 -2.048 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.153 -0.802 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.423 -0.416 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.351 -0.948 3.286 1.00 0.00 H new ATOM 327 N LYS A 21 -0.722 -5.180 4.735 1.00 0.00 N ATOM 328 CA LYS A 21 -1.552 -6.259 5.326 1.00 0.00 C ATOM 329 C LYS A 21 -1.557 -6.085 6.844 1.00 0.00 C ATOM 330 O LYS A 21 -2.428 -6.571 7.537 1.00 0.00 O ATOM 331 CB LYS A 21 -0.945 -7.614 4.965 1.00 0.00 C ATOM 332 CG LYS A 21 -1.697 -8.726 5.698 1.00 0.00 C ATOM 333 CD LYS A 21 -1.869 -9.924 4.763 1.00 0.00 C ATOM 334 CE LYS A 21 -2.306 -11.146 5.573 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.326 -11.392 6.668 1.00 0.00 N ATOM 0 H LYS A 21 0.174 -5.484 4.354 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.571 -6.210 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.000 -7.773 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.110 -7.635 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.148 -9.024 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.671 -8.365 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.611 -9.698 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.932 -10.133 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.300 -10.983 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.371 -12.020 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.280 -12.411 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.387 -11.054 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.626 -10.883 7.524 1.00 0.00 H new ATOM 349 N LYS A 22 -0.579 -5.390 7.361 1.00 0.00 N ATOM 350 CA LYS A 22 -0.506 -5.172 8.830 1.00 0.00 C ATOM 351 C LYS A 22 -1.280 -3.898 9.201 1.00 0.00 C ATOM 352 O LYS A 22 -1.922 -3.833 10.231 1.00 0.00 O ATOM 353 CB LYS A 22 0.971 -5.041 9.240 1.00 0.00 C ATOM 354 CG LYS A 22 1.108 -4.149 10.479 1.00 0.00 C ATOM 355 CD LYS A 22 2.585 -4.022 10.859 1.00 0.00 C ATOM 356 CE LYS A 22 2.702 -3.593 12.323 1.00 0.00 C ATOM 357 NZ LYS A 22 2.256 -4.709 13.204 1.00 0.00 N ATOM 0 H LYS A 22 0.175 -4.963 6.824 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.953 -6.015 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.386 -6.027 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.547 -4.620 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.688 -3.164 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.544 -4.573 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.094 -4.974 10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.075 -3.292 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.733 -3.323 12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.093 -2.707 12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.732 -4.635 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.226 -4.654 13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.498 -5.619 12.762 1.00 0.00 H new ATOM 371 N GLU A 23 -1.218 -2.883 8.382 1.00 0.00 N ATOM 372 CA GLU A 23 -1.944 -1.622 8.710 1.00 0.00 C ATOM 373 C GLU A 23 -3.420 -1.774 8.366 1.00 0.00 C ATOM 374 O GLU A 23 -4.293 -1.556 9.183 1.00 0.00 O ATOM 375 CB GLU A 23 -1.350 -0.466 7.904 1.00 0.00 C ATOM 376 CG GLU A 23 0.137 -0.323 8.234 1.00 0.00 C ATOM 377 CD GLU A 23 0.302 0.551 9.478 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.358 1.760 9.325 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.371 -0.003 10.563 1.00 0.00 O ATOM 0 H GLU A 23 -0.699 -2.872 7.504 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.841 -1.415 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.481 -0.648 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.875 0.460 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.578 -1.305 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.666 0.122 7.391 1.00 0.00 H new ATOM 386 N LEU A 24 -3.694 -2.145 7.160 1.00 0.00 N ATOM 387 CA LEU A 24 -5.103 -2.318 6.723 1.00 0.00 C ATOM 388 C LEU A 24 -5.672 -3.597 7.338 1.00 0.00 C ATOM 389 O LEU A 24 -6.866 -3.731 7.523 1.00 0.00 O ATOM 390 CB LEU A 24 -5.142 -2.415 5.200 1.00 0.00 C ATOM 391 CG LEU A 24 -4.267 -1.308 4.607 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.894 -1.656 3.168 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.033 0.011 4.638 1.00 0.00 C ATOM 0 H LEU A 24 -2.995 -2.340 6.443 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.701 -1.467 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.784 -3.392 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.167 -2.317 4.843 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.354 -1.213 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.271 -0.864 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.344 -2.597 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.801 -1.756 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.413 0.802 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.947 -0.085 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.287 0.260 5.668 1.00 0.00 H new ATOM 405 N ALA A 25 -4.826 -4.537 7.661 1.00 0.00 N ATOM 406 CA ALA A 25 -5.320 -5.803 8.268 1.00 0.00 C ATOM 407 C ALA A 25 -5.971 -6.669 7.189 1.00 0.00 C ATOM 408 O ALA A 25 -7.102 -7.094 7.317 1.00 0.00 O ATOM 409 CB ALA A 25 -6.346 -5.475 9.352 1.00 0.00 C ATOM 0 H ALA A 25 -3.816 -4.482 7.531 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.485 -6.347 8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.711 -6.400 9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.879 -4.859 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.181 -4.932 8.910 1.00 0.00 H new ATOM 415 N LEU A 26 -5.263 -6.935 6.126 1.00 0.00 N ATOM 416 CA LEU A 26 -5.833 -7.776 5.036 1.00 0.00 C ATOM 417 C LEU A 26 -5.924 -9.227 5.524 1.00 0.00 C ATOM 418 O LEU A 26 -5.388 -9.559 6.561 1.00 0.00 O ATOM 419 CB LEU A 26 -4.925 -7.671 3.805 1.00 0.00 C ATOM 420 CG LEU A 26 -4.651 -6.192 3.519 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.620 -6.062 2.398 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.952 -5.513 3.087 1.00 0.00 C ATOM 0 H LEU A 26 -4.311 -6.605 5.965 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.832 -7.434 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.989 -8.201 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.401 -8.140 2.944 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.265 -5.717 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.430 -5.007 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.692 -6.548 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.002 -6.538 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.762 -4.459 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.332 -5.995 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.690 -5.600 3.884 1.00 0.00 H new ATOM 434 N PRO A 27 -6.621 -10.047 4.775 1.00 0.00 N ATOM 435 CA PRO A 27 -6.818 -11.464 5.130 1.00 0.00 C ATOM 436 C PRO A 27 -5.559 -12.289 4.846 1.00 0.00 C ATOM 437 O PRO A 27 -4.535 -11.768 4.447 1.00 0.00 O ATOM 438 CB PRO A 27 -7.978 -11.900 4.233 1.00 0.00 C ATOM 439 CG PRO A 27 -8.009 -10.909 3.047 1.00 0.00 C ATOM 440 CD PRO A 27 -7.268 -9.645 3.510 1.00 0.00 C ATOM 0 HA PRO A 27 -7.025 -11.608 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.834 -12.922 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.921 -11.881 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.528 -11.340 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.035 -10.675 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.534 -9.321 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.956 -8.813 3.661 1.00 0.00 H new ATOM 448 N GLU A 28 -5.628 -13.575 5.066 1.00 0.00 N ATOM 449 CA GLU A 28 -4.442 -14.446 4.831 1.00 0.00 C ATOM 450 C GLU A 28 -4.259 -14.699 3.334 1.00 0.00 C ATOM 451 O GLU A 28 -3.153 -14.737 2.834 1.00 0.00 O ATOM 452 CB GLU A 28 -4.653 -15.785 5.540 1.00 0.00 C ATOM 453 CG GLU A 28 -3.484 -16.719 5.220 1.00 0.00 C ATOM 454 CD GLU A 28 -4.025 -18.080 4.773 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.371 -18.205 3.609 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.085 -18.972 5.602 1.00 0.00 O ATOM 0 H GLU A 28 -6.460 -14.061 5.400 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.554 -13.948 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.726 -15.631 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.592 -16.236 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.864 -16.287 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.849 -16.839 6.098 1.00 0.00 H new ATOM 463 N TYR A 29 -5.331 -14.886 2.614 1.00 0.00 N ATOM 464 CA TYR A 29 -5.201 -15.151 1.154 1.00 0.00 C ATOM 465 C TYR A 29 -4.882 -13.854 0.410 1.00 0.00 C ATOM 466 O TYR A 29 -4.783 -13.843 -0.801 1.00 0.00 O ATOM 467 CB TYR A 29 -6.506 -15.742 0.620 1.00 0.00 C ATOM 468 CG TYR A 29 -7.678 -14.964 1.160 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.845 -13.616 0.818 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.610 -15.596 1.992 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.947 -12.903 1.309 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.707 -14.882 2.485 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.877 -13.535 2.143 1.00 0.00 C ATOM 474 OH TYR A 29 -10.962 -12.832 2.625 1.00 0.00 O ATOM 0 H TYR A 29 -6.286 -14.867 2.971 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.389 -15.860 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.510 -15.713 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.588 -16.789 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.126 -13.127 0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.482 -16.636 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.079 -11.864 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.423 -15.370 3.130 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.509 -13.419 3.187 1.00 0.00 H new ATOM 484 N TYR A 30 -4.715 -12.768 1.124 1.00 0.00 N ATOM 485 CA TYR A 30 -4.389 -11.465 0.469 1.00 0.00 C ATOM 486 C TYR A 30 -3.478 -11.711 -0.734 1.00 0.00 C ATOM 487 O TYR A 30 -2.336 -12.101 -0.597 1.00 0.00 O ATOM 488 CB TYR A 30 -3.675 -10.566 1.477 1.00 0.00 C ATOM 489 CG TYR A 30 -3.181 -9.315 0.793 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.927 -8.732 -0.240 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.978 -8.731 1.205 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.465 -7.563 -0.860 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.516 -7.567 0.584 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.259 -6.982 -0.447 1.00 0.00 C ATOM 495 OH TYR A 30 -1.801 -5.832 -1.056 1.00 0.00 O ATOM 0 H TYR A 30 -4.791 -12.729 2.140 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.306 -10.983 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.355 -10.303 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.837 -11.101 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.856 -9.182 -0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.406 -9.180 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.038 -7.110 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.585 -7.119 0.900 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.280 -5.307 -0.413 1.00 0.00 H new ATOM 505 N GLY A 31 -3.987 -11.502 -1.914 1.00 0.00 N ATOM 506 CA GLY A 31 -3.171 -11.736 -3.141 1.00 0.00 C ATOM 507 C GLY A 31 -1.786 -11.106 -2.984 1.00 0.00 C ATOM 508 O GLY A 31 -0.813 -11.587 -3.529 1.00 0.00 O ATOM 0 H GLY A 31 -4.939 -11.177 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.073 -12.806 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.676 -11.311 -4.008 1.00 0.00 H new ATOM 512 N GLU A 32 -1.688 -10.035 -2.248 1.00 0.00 N ATOM 513 CA GLU A 32 -0.363 -9.377 -2.062 1.00 0.00 C ATOM 514 C GLU A 32 0.028 -8.646 -3.348 1.00 0.00 C ATOM 515 O GLU A 32 1.170 -8.669 -3.764 1.00 0.00 O ATOM 516 CB GLU A 32 0.696 -10.433 -1.739 1.00 0.00 C ATOM 517 CG GLU A 32 0.135 -11.428 -0.723 1.00 0.00 C ATOM 518 CD GLU A 32 1.274 -11.971 0.144 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.172 -11.205 0.452 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.228 -13.141 0.482 1.00 0.00 O ATOM 0 H GLU A 32 -2.467 -9.586 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.427 -8.664 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.993 -10.955 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.591 -9.955 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.613 -10.942 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.366 -12.247 -1.239 1.00 0.00 H new ATOM 527 N ASN A 33 -0.909 -7.993 -3.979 1.00 0.00 N ATOM 528 CA ASN A 33 -0.588 -7.254 -5.236 1.00 0.00 C ATOM 529 C ASN A 33 -1.632 -6.159 -5.460 1.00 0.00 C ATOM 530 O ASN A 33 -2.352 -5.781 -4.556 1.00 0.00 O ATOM 531 CB ASN A 33 -0.579 -8.208 -6.438 1.00 0.00 C ATOM 532 CG ASN A 33 -1.091 -9.592 -6.033 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.323 -9.727 -5.629 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 -0.361 -10.562 -6.087 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.883 -7.938 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 33 0.402 -6.809 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.203 -7.803 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.433 -8.291 -6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.603 -10.458 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.712 -11.480 -5.816 1.00 0.00 H new ATOM 541 N LEU A 34 -1.715 -5.635 -6.652 1.00 0.00 N ATOM 542 CA LEU A 34 -2.705 -4.555 -6.922 1.00 0.00 C ATOM 543 C LEU A 34 -4.102 -5.154 -7.109 1.00 0.00 C ATOM 544 O LEU A 34 -5.093 -4.451 -7.075 1.00 0.00 O ATOM 545 CB LEU A 34 -2.303 -3.796 -8.188 1.00 0.00 C ATOM 546 CG LEU A 34 -1.857 -4.789 -9.263 1.00 0.00 C ATOM 547 CD1 LEU A 34 -2.431 -4.367 -10.616 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.329 -4.801 -9.340 1.00 0.00 C ATOM 0 H LEU A 34 -1.141 -5.908 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.722 -3.871 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.143 -3.204 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.495 -3.099 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.218 -5.786 -9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.114 -5.074 -11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.520 -4.355 -10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.070 -3.370 -10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.009 -5.508 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.030 -3.804 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.082 -5.100 -8.376 1.00 0.00 H new ATOM 560 N ASP A 35 -4.200 -6.442 -7.304 1.00 0.00 N ATOM 561 CA ASP A 35 -5.546 -7.055 -7.486 1.00 0.00 C ATOM 562 C ASP A 35 -6.206 -7.257 -6.124 1.00 0.00 C ATOM 563 O ASP A 35 -7.310 -6.817 -5.895 1.00 0.00 O ATOM 564 CB ASP A 35 -5.459 -8.412 -8.188 1.00 0.00 C ATOM 565 CG ASP A 35 -4.016 -8.921 -8.246 1.00 0.00 C ATOM 566 OD1 ASP A 35 -3.221 -8.313 -8.944 1.00 0.00 O ATOM 567 OD2 ASP A 35 -3.732 -9.912 -7.595 1.00 0.00 O ATOM 0 H ASP A 35 -3.414 -7.090 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.134 -6.378 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.081 -9.136 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.857 -8.326 -9.199 1.00 0.00 H new ATOM 572 N ALA A 36 -5.542 -7.926 -5.218 1.00 0.00 N ATOM 573 CA ALA A 36 -6.146 -8.151 -3.875 1.00 0.00 C ATOM 574 C ALA A 36 -6.077 -6.852 -3.084 1.00 0.00 C ATOM 575 O ALA A 36 -6.926 -6.556 -2.267 1.00 0.00 O ATOM 576 CB ALA A 36 -5.376 -9.246 -3.135 1.00 0.00 C ATOM 0 H ALA A 36 -4.612 -8.324 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.184 -8.465 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.823 -9.405 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.419 -10.172 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.336 -8.942 -3.015 1.00 0.00 H new ATOM 582 N LEU A 37 -5.078 -6.069 -3.345 1.00 0.00 N ATOM 583 CA LEU A 37 -4.941 -4.768 -2.640 1.00 0.00 C ATOM 584 C LEU A 37 -6.041 -3.841 -3.137 1.00 0.00 C ATOM 585 O LEU A 37 -6.798 -3.295 -2.377 1.00 0.00 O ATOM 586 CB LEU A 37 -3.585 -4.157 -2.959 1.00 0.00 C ATOM 587 CG LEU A 37 -3.498 -2.765 -2.341 1.00 0.00 C ATOM 588 CD1 LEU A 37 -2.370 -2.734 -1.307 1.00 0.00 C ATOM 589 CD2 LEU A 37 -3.211 -1.741 -3.443 1.00 0.00 C ATOM 0 H LEU A 37 -4.343 -6.273 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.023 -4.912 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.788 -4.790 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.446 -4.097 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.442 -2.522 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.308 -1.739 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.573 -3.466 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.424 -2.975 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.148 -0.744 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.266 -1.985 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.014 -1.764 -4.179 1.00 0.00 H new ATOM 601 N TRP A 38 -6.151 -3.684 -4.421 1.00 0.00 N ATOM 602 CA TRP A 38 -7.231 -2.824 -4.973 1.00 0.00 C ATOM 603 C TRP A 38 -8.547 -3.417 -4.513 1.00 0.00 C ATOM 604 O TRP A 38 -9.484 -2.726 -4.176 1.00 0.00 O ATOM 605 CB TRP A 38 -7.132 -2.865 -6.495 1.00 0.00 C ATOM 606 CG TRP A 38 -8.279 -2.159 -7.157 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.109 -2.758 -8.032 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.724 -0.762 -7.063 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.044 -1.842 -8.474 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.850 -0.599 -7.910 1.00 0.00 C ATOM 611 CE3 TRP A 38 -8.282 0.366 -6.339 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.505 0.626 -8.036 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -8.940 1.601 -6.468 1.00 0.00 C ATOM 614 CH2 TRP A 38 -10.048 1.730 -7.314 1.00 0.00 C ATOM 0 H TRP A 38 -5.540 -4.114 -5.115 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.151 -1.790 -4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.195 -2.405 -6.809 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.105 -3.903 -6.828 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.053 -3.792 -8.340 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.788 -2.059 -9.137 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.431 0.279 -5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.361 0.720 -8.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.588 2.457 -5.911 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.549 2.682 -7.408 1.00 0.00 H new ATOM 625 N ASP A 39 -8.600 -4.710 -4.475 1.00 0.00 N ATOM 626 CA ASP A 39 -9.835 -5.391 -4.006 1.00 0.00 C ATOM 627 C ASP A 39 -10.051 -5.054 -2.534 1.00 0.00 C ATOM 628 O ASP A 39 -11.165 -4.991 -2.053 1.00 0.00 O ATOM 629 CB ASP A 39 -9.686 -6.905 -4.164 1.00 0.00 C ATOM 630 CG ASP A 39 -10.530 -7.382 -5.347 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.374 -6.622 -5.792 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.318 -8.499 -5.787 1.00 0.00 O ATOM 0 H ASP A 39 -7.839 -5.332 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.687 -5.055 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.639 -7.163 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.003 -7.409 -3.251 1.00 0.00 H new ATOM 637 N ALA A 40 -8.987 -4.824 -1.818 1.00 0.00 N ATOM 638 CA ALA A 40 -9.122 -4.473 -0.374 1.00 0.00 C ATOM 639 C ALA A 40 -9.453 -2.989 -0.262 1.00 0.00 C ATOM 640 O ALA A 40 -10.556 -2.616 0.082 1.00 0.00 O ATOM 641 CB ALA A 40 -7.816 -4.766 0.369 1.00 0.00 C ATOM 0 H ALA A 40 -8.030 -4.863 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.916 -5.071 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.930 -4.505 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.578 -5.826 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.010 -4.176 -0.066 1.00 0.00 H new ATOM 647 N LEU A 41 -8.499 -2.143 -0.565 1.00 0.00 N ATOM 648 CA LEU A 41 -8.733 -0.669 -0.504 1.00 0.00 C ATOM 649 C LEU A 41 -10.148 -0.369 -0.974 1.00 0.00 C ATOM 650 O LEU A 41 -10.890 0.372 -0.359 1.00 0.00 O ATOM 651 CB LEU A 41 -7.724 0.042 -1.413 1.00 0.00 C ATOM 652 CG LEU A 41 -6.392 0.201 -0.679 1.00 0.00 C ATOM 653 CD1 LEU A 41 -5.251 0.252 -1.696 1.00 0.00 C ATOM 654 CD2 LEU A 41 -6.393 1.492 0.135 1.00 0.00 C ATOM 0 H LEU A 41 -7.560 -2.415 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.608 -0.315 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.579 -0.530 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.108 1.019 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.254 -0.648 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.302 0.365 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.238 -0.671 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.399 1.099 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.440 1.596 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.538 2.342 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.202 1.461 0.865 1.00 0.00 H new ATOM 666 N THR A 42 -10.524 -0.951 -2.063 1.00 0.00 N ATOM 667 CA THR A 42 -11.898 -0.723 -2.600 1.00 0.00 C ATOM 668 C THR A 42 -12.919 -1.591 -1.848 1.00 0.00 C ATOM 669 O THR A 42 -13.811 -2.159 -2.448 1.00 0.00 O ATOM 670 CB THR A 42 -11.935 -1.088 -4.086 1.00 0.00 C ATOM 671 OG1 THR A 42 -11.975 -2.502 -4.222 1.00 0.00 O ATOM 672 CG2 THR A 42 -10.690 -0.544 -4.787 1.00 0.00 C ATOM 0 H THR A 42 -9.942 -1.581 -2.616 1.00 0.00 H new ATOM 0 HA THR A 42 -12.153 0.328 -2.466 1.00 0.00 H new ATOM 0 HB THR A 42 -12.822 -0.649 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.119 -2.883 -3.934 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.723 -0.808 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.659 0.541 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.799 -0.977 -4.333 1.00 0.00 H new ATOM 680 N GLY A 43 -12.816 -1.694 -0.546 1.00 0.00 N ATOM 681 CA GLY A 43 -13.803 -2.518 0.209 1.00 0.00 C ATOM 682 C GLY A 43 -13.101 -3.340 1.296 1.00 0.00 C ATOM 683 O GLY A 43 -13.345 -4.522 1.438 1.00 0.00 O ATOM 0 H GLY A 43 -12.096 -1.246 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.554 -1.871 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.328 -3.184 -0.476 1.00 0.00 H new ATOM 687 N TRP A 44 -12.239 -2.736 2.073 1.00 0.00 N ATOM 688 CA TRP A 44 -11.549 -3.506 3.147 1.00 0.00 C ATOM 689 C TRP A 44 -10.717 -2.548 3.988 1.00 0.00 C ATOM 690 O TRP A 44 -10.907 -2.410 5.181 1.00 0.00 O ATOM 691 CB TRP A 44 -10.631 -4.556 2.522 1.00 0.00 C ATOM 692 CG TRP A 44 -9.939 -5.310 3.611 1.00 0.00 C ATOM 693 CD1 TRP A 44 -9.057 -4.775 4.487 1.00 0.00 C ATOM 694 CD2 TRP A 44 -10.059 -6.719 3.960 1.00 0.00 C ATOM 695 NE1 TRP A 44 -8.629 -5.767 5.351 1.00 0.00 N ATOM 696 CE2 TRP A 44 -9.218 -6.983 5.066 1.00 0.00 C ATOM 697 CE3 TRP A 44 -10.809 -7.783 3.428 1.00 0.00 C ATOM 698 CZ2 TRP A 44 -9.126 -8.259 5.626 1.00 0.00 C ATOM 699 CZ3 TRP A 44 -10.718 -9.067 3.988 1.00 0.00 C ATOM 700 CH2 TRP A 44 -9.878 -9.304 5.085 1.00 0.00 C ATOM 0 H TRP A 44 -11.985 -1.750 2.010 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.291 -4.003 3.772 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.210 -5.239 1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -9.899 -4.077 1.872 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.739 -3.743 4.508 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.960 -5.618 6.106 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -11.459 -7.611 2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.478 -8.436 6.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -11.298 -9.877 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.812 -10.294 5.511 1.00 0.00 H new ATOM 711 N VAL A 45 -9.798 -1.883 3.362 1.00 0.00 N ATOM 712 CA VAL A 45 -8.931 -0.917 4.081 1.00 0.00 C ATOM 713 C VAL A 45 -9.780 -0.029 4.993 1.00 0.00 C ATOM 714 O VAL A 45 -9.304 0.512 5.971 1.00 0.00 O ATOM 715 CB VAL A 45 -8.226 -0.059 3.028 1.00 0.00 C ATOM 716 CG1 VAL A 45 -7.893 1.315 3.593 1.00 0.00 C ATOM 717 CG2 VAL A 45 -6.943 -0.755 2.570 1.00 0.00 C ATOM 0 H VAL A 45 -9.606 -1.968 2.364 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.203 -1.443 4.699 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.895 0.068 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.392 1.911 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.812 1.815 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.236 1.204 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.444 -0.141 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.280 -0.895 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.189 -1.725 2.139 1.00 0.00 H new ATOM 727 N GLU A 46 -11.019 0.141 4.663 1.00 0.00 N ATOM 728 CA GLU A 46 -11.892 1.015 5.489 1.00 0.00 C ATOM 729 C GLU A 46 -11.409 2.460 5.350 1.00 0.00 C ATOM 730 O GLU A 46 -10.252 2.763 5.564 1.00 0.00 O ATOM 731 CB GLU A 46 -11.814 0.575 6.948 1.00 0.00 C ATOM 732 CG GLU A 46 -13.142 0.877 7.647 1.00 0.00 C ATOM 733 CD GLU A 46 -13.749 -0.423 8.177 1.00 0.00 C ATOM 734 OE1 GLU A 46 -13.631 -1.429 7.497 1.00 0.00 O ATOM 735 OE2 GLU A 46 -14.321 -0.391 9.253 1.00 0.00 O ATOM 0 H GLU A 46 -11.471 -0.287 3.855 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.926 0.941 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.595 -0.491 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.000 1.095 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.982 1.577 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.831 1.355 6.950 1.00 0.00 H new ATOM 742 N TYR A 47 -12.282 3.350 4.971 1.00 0.00 N ATOM 743 CA TYR A 47 -11.878 4.772 4.791 1.00 0.00 C ATOM 744 C TYR A 47 -12.632 5.650 5.799 1.00 0.00 C ATOM 745 O TYR A 47 -13.605 5.211 6.379 1.00 0.00 O ATOM 746 CB TYR A 47 -12.216 5.175 3.355 1.00 0.00 C ATOM 747 CG TYR A 47 -11.427 4.297 2.409 1.00 0.00 C ATOM 748 CD1 TYR A 47 -10.050 4.101 2.607 1.00 0.00 C ATOM 749 CD2 TYR A 47 -12.072 3.680 1.332 1.00 0.00 C ATOM 750 CE1 TYR A 47 -9.327 3.290 1.725 1.00 0.00 C ATOM 751 CE2 TYR A 47 -11.343 2.873 0.451 1.00 0.00 C ATOM 752 CZ TYR A 47 -9.972 2.680 0.650 1.00 0.00 C ATOM 753 OH TYR A 47 -9.250 1.903 -0.223 1.00 0.00 O ATOM 0 H TYR A 47 -13.264 3.153 4.777 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.810 4.902 4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.285 5.063 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.972 6.224 3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.550 4.575 3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.131 3.826 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.269 3.137 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.839 2.399 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.811 1.666 -0.991 1.00 0.00 H new ATOM 763 N PRO A 48 -12.146 6.853 6.009 1.00 0.00 N ATOM 764 CA PRO A 48 -10.962 7.401 5.310 1.00 0.00 C ATOM 765 C PRO A 48 -9.675 6.719 5.772 1.00 0.00 C ATOM 766 O PRO A 48 -9.549 6.298 6.905 1.00 0.00 O ATOM 767 CB PRO A 48 -10.974 8.886 5.686 1.00 0.00 C ATOM 768 CG PRO A 48 -11.807 9.000 6.981 1.00 0.00 C ATOM 769 CD PRO A 48 -12.734 7.772 7.006 1.00 0.00 C ATOM 0 HA PRO A 48 -10.998 7.240 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.960 9.255 5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.412 9.485 4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.161 9.018 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.385 9.924 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.766 7.318 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.758 8.040 6.745 1.00 0.00 H new ATOM 777 N LEU A 49 -8.724 6.597 4.887 1.00 0.00 N ATOM 778 CA LEU A 49 -7.444 5.928 5.247 1.00 0.00 C ATOM 779 C LEU A 49 -6.279 6.907 5.061 1.00 0.00 C ATOM 780 O LEU A 49 -6.378 7.872 4.331 1.00 0.00 O ATOM 781 CB LEU A 49 -7.268 4.709 4.326 1.00 0.00 C ATOM 782 CG LEU A 49 -5.796 4.286 4.233 1.00 0.00 C ATOM 783 CD1 LEU A 49 -5.420 3.458 5.463 1.00 0.00 C ATOM 784 CD2 LEU A 49 -5.599 3.443 2.977 1.00 0.00 C ATOM 0 H LEU A 49 -8.780 6.934 3.926 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.460 5.608 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.864 3.878 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.644 4.946 3.331 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.163 5.172 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.374 3.159 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.568 4.055 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.049 2.569 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.555 3.138 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.233 2.558 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.868 4.030 2.099 1.00 0.00 H new ATOM 796 N VAL A 50 -5.173 6.651 5.706 1.00 0.00 N ATOM 797 CA VAL A 50 -3.986 7.544 5.557 1.00 0.00 C ATOM 798 C VAL A 50 -2.815 6.707 5.024 1.00 0.00 C ATOM 799 O VAL A 50 -2.146 6.024 5.769 1.00 0.00 O ATOM 800 CB VAL A 50 -3.636 8.159 6.926 1.00 0.00 C ATOM 801 CG1 VAL A 50 -2.119 8.326 7.082 1.00 0.00 C ATOM 802 CG2 VAL A 50 -4.297 9.531 7.037 1.00 0.00 C ATOM 0 H VAL A 50 -5.039 5.858 6.333 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.198 8.354 4.859 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.997 7.492 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.899 8.762 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.636 7.352 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.743 8.983 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.055 9.974 8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.931 10.177 6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.378 9.422 6.948 1.00 0.00 H new ATOM 812 N LEU A 51 -2.560 6.751 3.745 1.00 0.00 N ATOM 813 CA LEU A 51 -1.433 5.948 3.185 1.00 0.00 C ATOM 814 C LEU A 51 -0.128 6.728 3.336 1.00 0.00 C ATOM 815 O LEU A 51 0.487 7.107 2.363 1.00 0.00 O ATOM 816 CB LEU A 51 -1.685 5.682 1.702 1.00 0.00 C ATOM 817 CG LEU A 51 -0.537 4.850 1.119 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.764 3.370 1.391 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.475 5.056 -0.383 1.00 0.00 C ATOM 0 H LEU A 51 -3.080 7.305 3.065 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.362 5.002 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.630 5.154 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.772 6.626 1.164 1.00 0.00 H new ATOM 0 HG LEU A 51 0.394 5.169 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.059 2.792 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.814 3.201 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.700 3.055 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.341 4.465 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.417 4.741 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.305 6.111 -0.599 1.00 0.00 H new ATOM 831 N GLU A 52 0.295 6.975 4.543 1.00 0.00 N ATOM 832 CA GLU A 52 1.557 7.739 4.746 1.00 0.00 C ATOM 833 C GLU A 52 2.749 6.937 4.210 1.00 0.00 C ATOM 834 O GLU A 52 3.421 6.249 4.952 1.00 0.00 O ATOM 835 CB GLU A 52 1.754 7.994 6.241 1.00 0.00 C ATOM 836 CG GLU A 52 3.160 8.547 6.483 1.00 0.00 C ATOM 837 CD GLU A 52 3.257 9.090 7.910 1.00 0.00 C ATOM 838 OE1 GLU A 52 3.255 8.287 8.829 1.00 0.00 O ATOM 839 OE2 GLU A 52 3.333 10.298 8.060 1.00 0.00 O ATOM 0 H GLU A 52 -0.178 6.681 5.398 1.00 0.00 H new ATOM 0 HA GLU A 52 1.493 8.686 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.007 8.701 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.614 7.069 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.902 7.763 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.379 9.338 5.766 1.00 0.00 H new ATOM 846 N TRP A 53 3.032 7.027 2.933 1.00 0.00 N ATOM 847 CA TRP A 53 4.196 6.273 2.387 1.00 0.00 C ATOM 848 C TRP A 53 5.480 6.975 2.840 1.00 0.00 C ATOM 849 O TRP A 53 5.508 8.179 2.999 1.00 0.00 O ATOM 850 CB TRP A 53 4.134 6.234 0.857 1.00 0.00 C ATOM 851 CG TRP A 53 4.823 4.995 0.374 1.00 0.00 C ATOM 852 CD1 TRP A 53 6.140 4.722 0.527 1.00 0.00 C ATOM 853 CD2 TRP A 53 4.251 3.852 -0.324 1.00 0.00 C ATOM 854 NE1 TRP A 53 6.407 3.486 -0.032 1.00 0.00 N ATOM 855 CE2 TRP A 53 5.274 2.911 -0.568 1.00 0.00 C ATOM 856 CE3 TRP A 53 2.952 3.546 -0.762 1.00 0.00 C ATOM 857 CZ2 TRP A 53 5.015 1.708 -1.222 1.00 0.00 C ATOM 858 CZ3 TRP A 53 2.685 2.339 -1.419 1.00 0.00 C ATOM 859 CH2 TRP A 53 3.717 1.418 -1.650 1.00 0.00 C ATOM 0 H TRP A 53 2.512 7.584 2.255 1.00 0.00 H new ATOM 0 HA TRP A 53 4.178 5.247 2.755 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.097 6.243 0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.613 7.119 0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.863 5.364 1.007 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.330 3.052 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.151 4.249 -0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.814 1.003 -1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.681 2.116 -1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.509 0.487 -2.157 1.00 0.00 H new ATOM 870 N ARG A 54 6.539 6.246 3.067 1.00 0.00 N ATOM 871 CA ARG A 54 7.797 6.904 3.530 1.00 0.00 C ATOM 872 C ARG A 54 8.807 7.008 2.383 1.00 0.00 C ATOM 873 O ARG A 54 9.569 6.095 2.135 1.00 0.00 O ATOM 874 CB ARG A 54 8.413 6.089 4.670 1.00 0.00 C ATOM 875 CG ARG A 54 7.477 6.114 5.880 1.00 0.00 C ATOM 876 CD ARG A 54 7.783 7.344 6.736 1.00 0.00 C ATOM 877 NE ARG A 54 9.017 7.099 7.534 1.00 0.00 N ATOM 878 CZ ARG A 54 8.926 6.817 8.805 1.00 0.00 C ATOM 879 NH1 ARG A 54 8.287 7.623 9.608 1.00 0.00 N ATOM 880 NH2 ARG A 54 9.475 5.729 9.274 1.00 0.00 N ATOM 0 H ARG A 54 6.589 5.234 2.954 1.00 0.00 H new ATOM 0 HA ARG A 54 7.554 7.908 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.580 5.061 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.386 6.500 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.439 6.137 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.604 5.206 6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.916 8.219 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.944 7.557 7.399 1.00 0.00 H new ATOM 0 HE ARG A 54 9.932 7.152 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.859 8.473 9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.216 7.403 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.975 5.099 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.404 5.509 10.267 1.00 0.00 H new ATOM 894 N GLN A 55 8.829 8.127 1.705 1.00 0.00 N ATOM 895 CA GLN A 55 9.801 8.326 0.586 1.00 0.00 C ATOM 896 C GLN A 55 9.274 7.691 -0.705 1.00 0.00 C ATOM 897 O GLN A 55 9.318 8.299 -1.754 1.00 0.00 O ATOM 898 CB GLN A 55 11.146 7.694 0.951 1.00 0.00 C ATOM 899 CG GLN A 55 12.282 8.579 0.434 1.00 0.00 C ATOM 900 CD GLN A 55 12.913 9.334 1.605 1.00 0.00 C ATOM 901 OE1 GLN A 55 13.096 10.534 1.540 1.00 0.00 O ATOM 902 NE2 GLN A 55 13.254 8.678 2.680 1.00 0.00 N ATOM 0 H GLN A 55 8.210 8.919 1.880 1.00 0.00 H new ATOM 0 HA GLN A 55 9.929 9.396 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.224 7.578 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.221 6.697 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.034 7.969 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.901 9.284 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.100 7.671 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.675 9.172 3.467 1.00 0.00 H new ATOM 911 N PHE A 56 8.792 6.475 -0.636 1.00 0.00 N ATOM 912 CA PHE A 56 8.272 5.786 -1.857 1.00 0.00 C ATOM 913 C PHE A 56 9.438 5.141 -2.613 1.00 0.00 C ATOM 914 O PHE A 56 9.477 3.942 -2.803 1.00 0.00 O ATOM 915 CB PHE A 56 7.558 6.788 -2.771 1.00 0.00 C ATOM 916 CG PHE A 56 6.710 6.044 -3.774 1.00 0.00 C ATOM 917 CD1 PHE A 56 5.927 4.956 -3.367 1.00 0.00 C ATOM 918 CD2 PHE A 56 6.707 6.444 -5.115 1.00 0.00 C ATOM 919 CE1 PHE A 56 5.144 4.272 -4.300 1.00 0.00 C ATOM 920 CE2 PHE A 56 5.922 5.759 -6.048 1.00 0.00 C ATOM 921 CZ PHE A 56 5.141 4.673 -5.642 1.00 0.00 C ATOM 0 H PHE A 56 8.736 5.926 0.222 1.00 0.00 H new ATOM 0 HA PHE A 56 7.560 5.018 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.934 7.457 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.289 7.409 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.929 4.646 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.311 7.282 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.540 3.433 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.919 6.069 -7.083 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.536 4.143 -6.363 1.00 0.00 H new ATOM 931 N GLU A 57 10.389 5.925 -3.044 1.00 0.00 N ATOM 932 CA GLU A 57 11.549 5.349 -3.782 1.00 0.00 C ATOM 933 C GLU A 57 12.047 4.102 -3.050 1.00 0.00 C ATOM 934 O GLU A 57 11.939 2.997 -3.543 1.00 0.00 O ATOM 935 CB GLU A 57 12.674 6.383 -3.853 1.00 0.00 C ATOM 936 CG GLU A 57 13.368 6.293 -5.213 1.00 0.00 C ATOM 937 CD GLU A 57 13.862 7.680 -5.628 1.00 0.00 C ATOM 938 OE1 GLU A 57 14.284 8.423 -4.757 1.00 0.00 O ATOM 939 OE2 GLU A 57 13.810 7.976 -6.811 1.00 0.00 O ATOM 0 H GLU A 57 10.413 6.937 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 57 11.241 5.080 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.271 7.385 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.394 6.208 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.206 5.598 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.677 5.903 -5.960 1.00 0.00 H new ATOM 946 N GLN A 58 12.589 4.269 -1.874 1.00 0.00 N ATOM 947 CA GLN A 58 13.086 3.090 -1.110 1.00 0.00 C ATOM 948 C GLN A 58 12.012 2.005 -1.098 1.00 0.00 C ATOM 949 O GLN A 58 10.837 2.290 -0.984 1.00 0.00 O ATOM 950 CB GLN A 58 13.401 3.500 0.329 1.00 0.00 C ATOM 951 CG GLN A 58 12.452 4.617 0.770 1.00 0.00 C ATOM 952 CD GLN A 58 11.844 4.265 2.128 1.00 0.00 C ATOM 953 OE1 GLN A 58 10.657 4.035 2.231 1.00 0.00 O ATOM 954 NE2 GLN A 58 12.614 4.212 3.180 1.00 0.00 N ATOM 0 H GLN A 58 12.709 5.170 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 58 13.991 2.710 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.299 2.641 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.435 3.838 0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.991 5.562 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.663 4.751 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.612 4.406 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.218 3.977 4.090 1.00 0.00 H new ATOM 963 N SER A 59 12.408 0.762 -1.222 1.00 0.00 N ATOM 964 CA SER A 59 11.417 -0.356 -1.227 1.00 0.00 C ATOM 965 C SER A 59 10.835 -0.519 -2.636 1.00 0.00 C ATOM 966 O SER A 59 10.653 -1.617 -3.120 1.00 0.00 O ATOM 967 CB SER A 59 10.288 -0.061 -0.237 1.00 0.00 C ATOM 968 OG SER A 59 9.184 0.499 -0.937 1.00 0.00 O ATOM 0 H SER A 59 13.381 0.473 -1.320 1.00 0.00 H new ATOM 0 HA SER A 59 11.918 -1.277 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.985 -0.977 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.634 0.630 0.532 1.00 0.00 H new ATOM 0 HG SER A 59 9.302 1.469 -1.012 1.00 0.00 H new ATOM 974 N LYS A 60 10.542 0.567 -3.292 1.00 0.00 N ATOM 975 CA LYS A 60 9.973 0.491 -4.667 1.00 0.00 C ATOM 976 C LYS A 60 11.084 0.294 -5.708 1.00 0.00 C ATOM 977 O LYS A 60 10.829 -0.123 -6.820 1.00 0.00 O ATOM 978 CB LYS A 60 9.246 1.796 -4.961 1.00 0.00 C ATOM 979 CG LYS A 60 8.529 1.694 -6.309 1.00 0.00 C ATOM 980 CD LYS A 60 8.553 3.056 -7.004 1.00 0.00 C ATOM 981 CE LYS A 60 9.584 3.034 -8.135 1.00 0.00 C ATOM 982 NZ LYS A 60 9.568 4.344 -8.846 1.00 0.00 N ATOM 0 H LYS A 60 10.673 1.513 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 60 9.290 -0.357 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.526 2.009 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.956 2.623 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.014 0.946 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.500 1.367 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.566 3.290 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.801 3.838 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.578 2.839 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.358 2.227 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.268 4.330 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.621 4.512 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.803 5.105 -8.177 1.00 0.00 H new ATOM 996 N GLN A 61 12.305 0.609 -5.372 1.00 0.00 N ATOM 997 CA GLN A 61 13.411 0.456 -6.366 1.00 0.00 C ATOM 998 C GLN A 61 13.848 -1.000 -6.433 1.00 0.00 C ATOM 999 O GLN A 61 13.646 -1.683 -7.417 1.00 0.00 O ATOM 1000 CB GLN A 61 14.597 1.325 -5.945 1.00 0.00 C ATOM 1001 CG GLN A 61 14.783 2.460 -6.953 1.00 0.00 C ATOM 1002 CD GLN A 61 15.804 2.039 -8.012 1.00 0.00 C ATOM 1003 OE1 GLN A 61 15.510 1.231 -8.870 1.00 0.00 O ATOM 1004 NE2 GLN A 61 17.003 2.555 -7.986 1.00 0.00 N ATOM 0 H GLN A 61 12.586 0.964 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 61 13.057 0.770 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.426 1.734 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.503 0.721 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.831 2.701 -7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.123 3.362 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.251 3.234 -7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.692 2.280 -8.686 1.00 0.00 H new ATOM 1013 N LEU A 62 14.459 -1.454 -5.386 1.00 0.00 N ATOM 1014 CA LEU A 62 14.951 -2.867 -5.317 1.00 0.00 C ATOM 1015 C LEU A 62 14.000 -3.807 -6.065 1.00 0.00 C ATOM 1016 O LEU A 62 14.407 -4.817 -6.604 1.00 0.00 O ATOM 1017 CB LEU A 62 15.066 -3.335 -3.851 1.00 0.00 C ATOM 1018 CG LEU A 62 14.702 -2.209 -2.872 1.00 0.00 C ATOM 1019 CD1 LEU A 62 13.236 -1.814 -3.053 1.00 0.00 C ATOM 1020 CD2 LEU A 62 14.910 -2.690 -1.437 1.00 0.00 C ATOM 0 H LEU A 62 14.647 -0.900 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 62 15.935 -2.897 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.408 -4.188 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.083 -3.675 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 62 15.340 -1.348 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.986 -1.015 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.076 -1.467 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.600 -2.678 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.651 -1.890 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.274 -3.554 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.954 -2.970 -1.295 1.00 0.00 H new ATOM 1032 N THR A 63 12.743 -3.482 -6.105 1.00 0.00 N ATOM 1033 CA THR A 63 11.764 -4.347 -6.820 1.00 0.00 C ATOM 1034 C THR A 63 11.587 -3.825 -8.252 1.00 0.00 C ATOM 1035 O THR A 63 12.545 -3.465 -8.907 1.00 0.00 O ATOM 1036 CB THR A 63 10.428 -4.316 -6.067 1.00 0.00 C ATOM 1037 OG1 THR A 63 9.557 -5.306 -6.596 1.00 0.00 O ATOM 1038 CG2 THR A 63 9.790 -2.932 -6.202 1.00 0.00 C ATOM 0 H THR A 63 12.346 -2.649 -5.671 1.00 0.00 H new ATOM 0 HA THR A 63 12.123 -5.375 -6.861 1.00 0.00 H new ATOM 0 HB THR A 63 10.604 -4.524 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.705 -5.285 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.841 -2.915 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.458 -2.181 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.615 -2.713 -7.255 1.00 0.00 H new ATOM 1046 N GLU A 64 10.380 -3.778 -8.750 1.00 0.00 N ATOM 1047 CA GLU A 64 10.171 -3.278 -10.139 1.00 0.00 C ATOM 1048 C GLU A 64 8.864 -2.487 -10.198 1.00 0.00 C ATOM 1049 O GLU A 64 8.807 -1.398 -10.734 1.00 0.00 O ATOM 1050 CB GLU A 64 10.093 -4.461 -11.108 1.00 0.00 C ATOM 1051 CG GLU A 64 10.939 -5.620 -10.575 1.00 0.00 C ATOM 1052 CD GLU A 64 11.051 -6.707 -11.647 1.00 0.00 C ATOM 1053 OE1 GLU A 64 10.099 -7.454 -11.806 1.00 0.00 O ATOM 1054 OE2 GLU A 64 12.085 -6.772 -12.291 1.00 0.00 O ATOM 0 H GLU A 64 9.534 -4.063 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 64 11.004 -2.635 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.057 -4.779 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.449 -4.161 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.931 -5.263 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.486 -6.030 -9.673 1.00 0.00 H new ATOM 1061 N ASN A 65 7.811 -3.030 -9.650 1.00 0.00 N ATOM 1062 CA ASN A 65 6.506 -2.314 -9.673 1.00 0.00 C ATOM 1063 C ASN A 65 5.669 -2.750 -8.468 1.00 0.00 C ATOM 1064 O ASN A 65 4.468 -2.572 -8.436 1.00 0.00 O ATOM 1065 CB ASN A 65 5.763 -2.662 -10.963 1.00 0.00 C ATOM 1066 CG ASN A 65 5.914 -1.515 -11.965 1.00 0.00 C ATOM 1067 OD1 ASN A 65 6.985 -1.290 -12.493 1.00 0.00 O ATOM 1068 ND2 ASN A 65 4.878 -0.774 -12.252 1.00 0.00 N ATOM 0 H ASN A 65 7.799 -3.939 -9.187 1.00 0.00 H new ATOM 0 HA ASN A 65 6.675 -1.238 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.161 -3.584 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.708 -2.838 -10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.968 -0.007 -12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.978 -0.962 -11.810 1.00 0.00 H new ATOM 1075 N GLY A 66 6.297 -3.320 -7.476 1.00 0.00 N ATOM 1076 CA GLY A 66 5.543 -3.769 -6.270 1.00 0.00 C ATOM 1077 C GLY A 66 4.939 -2.555 -5.560 1.00 0.00 C ATOM 1078 O GLY A 66 3.738 -2.392 -5.506 1.00 0.00 O ATOM 0 H GLY A 66 7.302 -3.495 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.754 -4.463 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.207 -4.306 -5.593 1.00 0.00 H new ATOM 1082 N ALA A 67 5.763 -1.702 -5.014 1.00 0.00 N ATOM 1083 CA ALA A 67 5.235 -0.500 -4.306 1.00 0.00 C ATOM 1084 C ALA A 67 4.592 0.447 -5.320 1.00 0.00 C ATOM 1085 O ALA A 67 3.594 1.080 -5.046 1.00 0.00 O ATOM 1086 CB ALA A 67 6.382 0.219 -3.595 1.00 0.00 C ATOM 0 H ALA A 67 6.779 -1.785 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 67 4.490 -0.809 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.996 1.097 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.841 -0.455 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.128 0.528 -4.328 1.00 0.00 H new ATOM 1092 N GLU A 68 5.159 0.552 -6.489 1.00 0.00 N ATOM 1093 CA GLU A 68 4.587 1.458 -7.515 1.00 0.00 C ATOM 1094 C GLU A 68 3.157 1.024 -7.848 1.00 0.00 C ATOM 1095 O GLU A 68 2.308 1.835 -8.165 1.00 0.00 O ATOM 1096 CB GLU A 68 5.446 1.401 -8.780 1.00 0.00 C ATOM 1097 CG GLU A 68 4.822 2.287 -9.861 1.00 0.00 C ATOM 1098 CD GLU A 68 5.277 3.733 -9.659 1.00 0.00 C ATOM 1099 OE1 GLU A 68 5.186 4.212 -8.540 1.00 0.00 O ATOM 1100 OE2 GLU A 68 5.709 4.339 -10.626 1.00 0.00 O ATOM 0 H GLU A 68 5.997 0.046 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 68 4.573 2.477 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.459 1.737 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.521 0.373 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.118 1.936 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.735 2.226 -9.813 1.00 0.00 H new ATOM 1107 N SER A 69 2.885 -0.251 -7.790 1.00 0.00 N ATOM 1108 CA SER A 69 1.514 -0.732 -8.119 1.00 0.00 C ATOM 1109 C SER A 69 0.600 -0.591 -6.904 1.00 0.00 C ATOM 1110 O SER A 69 -0.507 -0.095 -7.015 1.00 0.00 O ATOM 1111 CB SER A 69 1.573 -2.196 -8.553 1.00 0.00 C ATOM 1112 OG SER A 69 2.117 -2.275 -9.864 1.00 0.00 O ATOM 0 H SER A 69 3.551 -0.978 -7.530 1.00 0.00 H new ATOM 0 HA SER A 69 1.113 -0.128 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.186 -2.769 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.575 -2.634 -8.534 1.00 0.00 H new ATOM 0 HG SER A 69 3.096 -2.255 -9.814 1.00 0.00 H new ATOM 1118 N VAL A 70 1.037 -0.993 -5.737 1.00 0.00 N ATOM 1119 CA VAL A 70 0.161 -0.833 -4.558 1.00 0.00 C ATOM 1120 C VAL A 70 -0.274 0.601 -4.553 1.00 0.00 C ATOM 1121 O VAL A 70 -1.377 0.924 -4.201 1.00 0.00 O ATOM 1122 CB VAL A 70 0.917 -1.098 -3.250 1.00 0.00 C ATOM 1123 CG1 VAL A 70 0.128 -0.487 -2.072 1.00 0.00 C ATOM 1124 CG2 VAL A 70 1.068 -2.605 -3.039 1.00 0.00 C ATOM 0 H VAL A 70 1.948 -1.417 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.668 -1.538 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 70 1.906 -0.642 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.662 -0.673 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.024 0.588 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.861 -0.943 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.605 -2.790 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.082 -3.066 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.625 -3.035 -3.872 1.00 0.00 H new ATOM 1134 N LEU A 71 0.616 1.464 -4.932 1.00 0.00 N ATOM 1135 CA LEU A 71 0.284 2.889 -4.935 1.00 0.00 C ATOM 1136 C LEU A 71 -0.657 3.201 -6.090 1.00 0.00 C ATOM 1137 O LEU A 71 -1.639 3.878 -5.916 1.00 0.00 O ATOM 1138 CB LEU A 71 1.559 3.720 -5.046 1.00 0.00 C ATOM 1139 CG LEU A 71 1.293 5.128 -4.509 1.00 0.00 C ATOM 1140 CD1 LEU A 71 0.565 5.048 -3.167 1.00 0.00 C ATOM 1141 CD2 LEU A 71 2.622 5.858 -4.329 1.00 0.00 C ATOM 0 H LEU A 71 1.561 1.234 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.217 3.142 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.364 3.249 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.885 3.770 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 71 0.668 5.672 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.380 6.055 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.385 4.530 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.180 4.502 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.437 6.862 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.245 5.310 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.134 5.924 -5.289 1.00 0.00 H new ATOM 1153 N GLN A 72 -0.398 2.711 -7.266 1.00 0.00 N ATOM 1154 CA GLN A 72 -1.347 3.010 -8.371 1.00 0.00 C ATOM 1155 C GLN A 72 -2.756 2.679 -7.877 1.00 0.00 C ATOM 1156 O GLN A 72 -3.743 3.260 -8.292 1.00 0.00 O ATOM 1157 CB GLN A 72 -1.007 2.154 -9.593 1.00 0.00 C ATOM 1158 CG GLN A 72 0.213 2.740 -10.304 1.00 0.00 C ATOM 1159 CD GLN A 72 0.804 1.695 -11.251 1.00 0.00 C ATOM 1160 OE1 GLN A 72 1.964 1.766 -11.607 1.00 0.00 O ATOM 1161 NE2 GLN A 72 0.049 0.718 -11.678 1.00 0.00 N ATOM 0 H GLN A 72 0.406 2.132 -7.508 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.282 4.059 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.804 1.128 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.857 2.121 -10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.072 3.632 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.960 3.047 -9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.925 0.658 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.433 0.015 -12.310 1.00 0.00 H new ATOM 1170 N VAL A 73 -2.839 1.741 -6.981 1.00 0.00 N ATOM 1171 CA VAL A 73 -4.159 1.324 -6.427 1.00 0.00 C ATOM 1172 C VAL A 73 -4.570 2.219 -5.254 1.00 0.00 C ATOM 1173 O VAL A 73 -5.701 2.650 -5.167 1.00 0.00 O ATOM 1174 CB VAL A 73 -4.053 -0.121 -5.961 1.00 0.00 C ATOM 1175 CG1 VAL A 73 -5.347 -0.540 -5.276 1.00 0.00 C ATOM 1176 CG2 VAL A 73 -3.820 -0.997 -7.187 1.00 0.00 C ATOM 0 H VAL A 73 -2.038 1.236 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.919 1.419 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.231 -0.228 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.265 -1.575 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.528 0.103 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.176 -0.448 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.740 -2.040 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.656 -0.885 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.897 -0.693 -7.681 1.00 0.00 H new ATOM 1186 N PHE A 74 -3.670 2.512 -4.360 1.00 0.00 N ATOM 1187 CA PHE A 74 -4.015 3.380 -3.224 1.00 0.00 C ATOM 1188 C PHE A 74 -4.545 4.675 -3.810 1.00 0.00 C ATOM 1189 O PHE A 74 -5.652 5.094 -3.547 1.00 0.00 O ATOM 1190 CB PHE A 74 -2.756 3.641 -2.405 1.00 0.00 C ATOM 1191 CG PHE A 74 -2.721 2.689 -1.240 1.00 0.00 C ATOM 1192 CD1 PHE A 74 -3.448 2.973 -0.081 1.00 0.00 C ATOM 1193 CD2 PHE A 74 -1.976 1.510 -1.328 1.00 0.00 C ATOM 1194 CE1 PHE A 74 -3.422 2.074 0.987 1.00 0.00 C ATOM 1195 CE2 PHE A 74 -1.956 0.616 -0.258 1.00 0.00 C ATOM 1196 CZ PHE A 74 -2.680 0.903 0.894 1.00 0.00 C ATOM 0 H PHE A 74 -2.705 2.181 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.761 2.924 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.870 3.509 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.746 4.671 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.027 3.882 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.416 1.291 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.979 2.289 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.381 -0.296 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.665 0.210 1.723 1.00 0.00 H new ATOM 1206 N ARG A 75 -3.755 5.286 -4.642 1.00 0.00 N ATOM 1207 CA ARG A 75 -4.188 6.534 -5.309 1.00 0.00 C ATOM 1208 C ARG A 75 -5.448 6.239 -6.122 1.00 0.00 C ATOM 1209 O ARG A 75 -6.393 6.998 -6.094 1.00 0.00 O ATOM 1210 CB ARG A 75 -3.085 7.025 -6.246 1.00 0.00 C ATOM 1211 CG ARG A 75 -1.978 7.688 -5.429 1.00 0.00 C ATOM 1212 CD ARG A 75 -0.935 8.288 -6.374 1.00 0.00 C ATOM 1213 NE ARG A 75 -1.237 9.730 -6.594 1.00 0.00 N ATOM 1214 CZ ARG A 75 -0.578 10.404 -7.497 1.00 0.00 C ATOM 1215 NH1 ARG A 75 0.563 9.955 -7.944 1.00 0.00 N ATOM 1216 NH2 ARG A 75 -1.059 11.529 -7.953 1.00 0.00 N ATOM 0 H ARG A 75 -2.818 4.968 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.392 7.302 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.679 6.189 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.494 7.734 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.398 8.467 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.510 6.956 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.063 8.175 -5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.940 7.755 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.958 10.191 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.940 9.077 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.077 10.482 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.950 11.882 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.544 12.055 -8.659 1.00 0.00 H new ATOM 1230 N GLU A 76 -5.486 5.141 -6.846 1.00 0.00 N ATOM 1231 CA GLU A 76 -6.714 4.837 -7.635 1.00 0.00 C ATOM 1232 C GLU A 76 -7.922 4.864 -6.699 1.00 0.00 C ATOM 1233 O GLU A 76 -9.035 5.126 -7.104 1.00 0.00 O ATOM 1234 CB GLU A 76 -6.594 3.449 -8.256 1.00 0.00 C ATOM 1235 CG GLU A 76 -6.154 3.580 -9.711 1.00 0.00 C ATOM 1236 CD GLU A 76 -5.481 2.282 -10.160 1.00 0.00 C ATOM 1237 OE1 GLU A 76 -5.664 1.279 -9.490 1.00 0.00 O ATOM 1238 OE2 GLU A 76 -4.793 2.312 -11.167 1.00 0.00 O ATOM 0 H GLU A 76 -4.732 4.458 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.834 5.578 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.873 2.851 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.551 2.929 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.015 3.794 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.463 4.416 -9.819 1.00 0.00 H new ATOM 1245 N ALA A 77 -7.701 4.587 -5.447 1.00 0.00 N ATOM 1246 CA ALA A 77 -8.816 4.586 -4.461 1.00 0.00 C ATOM 1247 C ALA A 77 -9.118 6.026 -4.041 1.00 0.00 C ATOM 1248 O ALA A 77 -10.248 6.470 -4.090 1.00 0.00 O ATOM 1249 CB ALA A 77 -8.391 3.743 -3.250 1.00 0.00 C ATOM 0 H ALA A 77 -6.786 4.359 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.719 4.158 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.196 3.730 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.178 2.724 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.497 4.176 -2.801 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.119 6.772 -3.656 1.00 0.00 N ATOM 1256 CA LYS A 78 -8.353 8.179 -3.269 1.00 0.00 C ATOM 1257 C LYS A 78 -8.766 8.976 -4.514 1.00 0.00 C ATOM 1258 O LYS A 78 -9.161 10.122 -4.432 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.053 8.736 -2.687 1.00 0.00 C ATOM 1260 CG LYS A 78 -6.079 9.089 -3.816 1.00 0.00 C ATOM 1261 CD LYS A 78 -6.028 10.608 -3.989 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.193 11.224 -2.865 1.00 0.00 C ATOM 1263 NZ LYS A 78 -5.028 12.684 -3.112 1.00 0.00 N ATOM 0 H LYS A 78 -7.150 6.460 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.147 8.253 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.264 9.622 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.599 8.002 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.085 8.705 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.397 8.617 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.595 10.860 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.037 11.020 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.680 11.060 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.218 10.740 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.460 13.103 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.546 12.830 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.963 13.139 -3.139 1.00 0.00 H new ATOM 1277 N ALA A 79 -8.679 8.365 -5.667 1.00 0.00 N ATOM 1278 CA ALA A 79 -9.063 9.055 -6.928 1.00 0.00 C ATOM 1279 C ALA A 79 -10.500 8.700 -7.270 1.00 0.00 C ATOM 1280 O ALA A 79 -11.407 9.502 -7.159 1.00 0.00 O ATOM 1281 CB ALA A 79 -8.178 8.554 -8.069 1.00 0.00 C ATOM 0 H ALA A 79 -8.354 7.406 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.949 10.131 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.457 9.058 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.134 8.768 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.311 7.479 -8.187 1.00 0.00 H new ATOM 1287 N GLU A 80 -10.698 7.490 -7.699 1.00 0.00 N ATOM 1288 CA GLU A 80 -12.053 7.036 -8.073 1.00 0.00 C ATOM 1289 C GLU A 80 -13.067 7.519 -7.038 1.00 0.00 C ATOM 1290 O GLU A 80 -14.008 8.216 -7.365 1.00 0.00 O ATOM 1291 CB GLU A 80 -12.056 5.513 -8.144 1.00 0.00 C ATOM 1292 CG GLU A 80 -10.915 5.038 -9.048 1.00 0.00 C ATOM 1293 CD GLU A 80 -11.496 4.417 -10.319 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -12.133 3.382 -10.212 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -11.293 4.987 -11.379 1.00 0.00 O ATOM 0 H GLU A 80 -9.965 6.789 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.329 7.448 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.941 5.092 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.011 5.159 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.266 5.876 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.300 4.308 -8.522 1.00 0.00 H new ATOM 1302 N GLY A 81 -12.899 7.165 -5.789 1.00 0.00 N ATOM 1303 CA GLY A 81 -13.887 7.633 -4.771 1.00 0.00 C ATOM 1304 C GLY A 81 -13.328 7.467 -3.358 1.00 0.00 C ATOM 1305 O GLY A 81 -13.600 8.258 -2.477 1.00 0.00 O ATOM 0 H GLY A 81 -12.138 6.585 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.132 8.680 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.814 7.067 -4.870 1.00 0.00 H new ATOM 1309 N ALA A 82 -12.564 6.439 -3.132 1.00 0.00 N ATOM 1310 CA ALA A 82 -12.000 6.206 -1.773 1.00 0.00 C ATOM 1311 C ALA A 82 -11.543 7.521 -1.140 1.00 0.00 C ATOM 1312 O ALA A 82 -11.209 8.473 -1.816 1.00 0.00 O ATOM 1313 CB ALA A 82 -10.800 5.272 -1.881 1.00 0.00 C ATOM 0 H ALA A 82 -12.303 5.745 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.776 5.763 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.384 5.098 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.116 4.322 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.041 5.726 -2.518 1.00 0.00 H new ATOM 1319 N ASP A 83 -11.503 7.559 0.164 1.00 0.00 N ATOM 1320 CA ASP A 83 -11.040 8.781 0.875 1.00 0.00 C ATOM 1321 C ASP A 83 -9.692 8.457 1.513 1.00 0.00 C ATOM 1322 O ASP A 83 -9.539 8.447 2.720 1.00 0.00 O ATOM 1323 CB ASP A 83 -12.049 9.161 1.963 1.00 0.00 C ATOM 1324 CG ASP A 83 -12.491 10.612 1.764 1.00 0.00 C ATOM 1325 OD1 ASP A 83 -11.680 11.401 1.308 1.00 0.00 O ATOM 1326 OD2 ASP A 83 -13.634 10.909 2.071 1.00 0.00 O ATOM 0 H ASP A 83 -11.775 6.786 0.772 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.948 9.618 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.913 8.497 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.601 9.038 2.949 1.00 0.00 H new ATOM 1331 N ILE A 84 -8.721 8.150 0.700 1.00 0.00 N ATOM 1332 CA ILE A 84 -7.385 7.779 1.231 1.00 0.00 C ATOM 1333 C ILE A 84 -6.395 8.924 1.036 1.00 0.00 C ATOM 1334 O ILE A 84 -6.491 9.696 0.104 1.00 0.00 O ATOM 1335 CB ILE A 84 -6.893 6.547 0.475 1.00 0.00 C ATOM 1336 CG1 ILE A 84 -7.840 5.391 0.747 1.00 0.00 C ATOM 1337 CG2 ILE A 84 -5.487 6.163 0.938 1.00 0.00 C ATOM 1338 CD1 ILE A 84 -7.985 4.555 -0.518 1.00 0.00 C ATOM 0 H ILE A 84 -8.798 8.141 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.462 7.569 2.298 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.864 6.771 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.458 4.776 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.813 5.768 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.151 5.283 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.803 6.991 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.503 5.941 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.664 3.723 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.386 5.175 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.010 4.167 -0.812 1.00 0.00 H new ATOM 1350 N THR A 85 -5.429 9.019 1.905 1.00 0.00 N ATOM 1351 CA THR A 85 -4.408 10.087 1.777 1.00 0.00 C ATOM 1352 C THR A 85 -3.115 9.445 1.282 1.00 0.00 C ATOM 1353 O THR A 85 -2.335 8.920 2.054 1.00 0.00 O ATOM 1354 CB THR A 85 -4.170 10.741 3.140 1.00 0.00 C ATOM 1355 OG1 THR A 85 -5.364 10.677 3.908 1.00 0.00 O ATOM 1356 CG2 THR A 85 -3.765 12.203 2.943 1.00 0.00 C ATOM 0 H THR A 85 -5.305 8.397 2.703 1.00 0.00 H new ATOM 0 HA THR A 85 -4.745 10.852 1.077 1.00 0.00 H new ATOM 0 HB THR A 85 -3.372 10.213 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.266 11.229 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.596 12.668 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.849 12.251 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.561 12.734 2.421 1.00 0.00 H new ATOM 1364 N ILE A 86 -2.892 9.466 -0.002 1.00 0.00 N ATOM 1365 CA ILE A 86 -1.657 8.846 -0.551 1.00 0.00 C ATOM 1366 C ILE A 86 -0.488 9.806 -0.331 1.00 0.00 C ATOM 1367 O ILE A 86 -0.292 10.750 -1.071 1.00 0.00 O ATOM 1368 CB ILE A 86 -1.868 8.541 -2.049 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -2.331 7.081 -2.234 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -0.563 8.744 -2.831 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -3.208 6.617 -1.057 1.00 0.00 C ATOM 0 H ILE A 86 -3.512 9.886 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.433 7.907 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.629 9.224 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.891 6.990 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.461 6.430 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.732 8.524 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.232 9.777 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.204 8.075 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.517 5.584 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.638 6.684 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.090 7.253 -0.988 1.00 0.00 H new ATOM 1383 N ILE A 87 0.283 9.571 0.691 1.00 0.00 N ATOM 1384 CA ILE A 87 1.437 10.470 0.977 1.00 0.00 C ATOM 1385 C ILE A 87 2.643 10.047 0.136 1.00 0.00 C ATOM 1386 O ILE A 87 2.958 8.879 0.026 1.00 0.00 O ATOM 1387 CB ILE A 87 1.797 10.384 2.460 1.00 0.00 C ATOM 1388 CG1 ILE A 87 0.539 10.610 3.301 1.00 0.00 C ATOM 1389 CG2 ILE A 87 2.832 11.458 2.798 1.00 0.00 C ATOM 1390 CD1 ILE A 87 0.080 12.060 3.151 1.00 0.00 C ATOM 0 H ILE A 87 0.165 8.795 1.342 1.00 0.00 H new ATOM 0 HA ILE A 87 1.164 11.495 0.727 1.00 0.00 H new ATOM 0 HB ILE A 87 2.211 9.399 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.252 9.932 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.744 10.389 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.088 11.396 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.728 11.301 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.418 12.443 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.816 12.222 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.870 12.729 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.142 12.265 2.104 1.00 0.00 H new ATOM 1402 N LEU A 88 3.321 10.993 -0.456 1.00 0.00 N ATOM 1403 CA LEU A 88 4.509 10.651 -1.288 1.00 0.00 C ATOM 1404 C LEU A 88 5.520 11.796 -1.225 1.00 0.00 C ATOM 1405 O LEU A 88 5.780 12.462 -2.208 1.00 0.00 O ATOM 1406 CB LEU A 88 4.073 10.434 -2.738 1.00 0.00 C ATOM 1407 CG LEU A 88 3.079 9.275 -2.807 1.00 0.00 C ATOM 1408 CD1 LEU A 88 2.484 9.198 -4.214 1.00 0.00 C ATOM 1409 CD2 LEU A 88 3.800 7.964 -2.486 1.00 0.00 C ATOM 0 H LEU A 88 3.103 11.988 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 88 4.968 9.738 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.616 11.342 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.941 10.219 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 88 2.281 9.437 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.775 8.372 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.970 10.132 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.282 9.036 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.091 7.137 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.598 7.801 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.225 8.018 -1.484 1.00 0.00 H new ATOM 1421 N SER A 89 6.093 12.030 -0.077 1.00 0.00 N ATOM 1422 CA SER A 89 7.087 13.131 0.049 1.00 0.00 C ATOM 1423 C SER A 89 8.360 12.758 -0.713 1.00 0.00 C ATOM 1424 O SER A 89 9.368 12.526 -0.065 1.00 0.00 O ATOM 1425 CB SER A 89 7.421 13.348 1.526 1.00 0.00 C ATOM 1426 OG SER A 89 8.564 14.187 1.631 1.00 0.00 O ATOM 1427 OXT SER A 89 8.305 12.710 -1.930 1.00 0.00 O ATOM 0 H SER A 89 5.915 11.506 0.780 1.00 0.00 H new ATOM 0 HA SER A 89 6.670 14.048 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.574 13.803 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.612 12.391 2.012 1.00 0.00 H new ATOM 0 HG SER A 89 9.356 13.702 1.318 1.00 0.00 H new TER 1433 SER A 89