USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 908 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 111 LYS NZ :NH3+ -122:sc= 0.216 (180deg=0) USER MOD Set 1.2: A 112 HIS : no HE2:sc= -4.02! C(o=-3.8!,f=-7.7!) USER MOD Set 2.1: A 61 THR OG1 : rot 26:sc= -2.11! USER MOD Set 2.2: A 62 HIS : no HD1:sc= -8.65! C(o=-11!,f=-9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.893 K(o=0.89,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 1.67 (180deg=0.577) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -128:sc= -0.891 (180deg=-2.81!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000181 USER MOD Single : A 42 MET CE :methyl 169:sc= -2.32! (180deg=-2.49!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0089 X(o=-0.0089,f=-0.019) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0628 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= -10.7! C(o=-11!,f=-20!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00815 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -13.3! C(o=-13!,f=-13!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.42 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 147:sc= -6.76! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -130:sc= -0.51 USER MOD Single : A 113 GLN : amide:sc= -4.16 K(o=-4.2,f=-3.4!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0674 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.946 8.013 -44.583 1.00 0.00 N ATOM 2 CA GLY A 1 -0.059 7.080 -45.064 1.00 0.00 C ATOM 3 C GLY A 1 -0.975 6.626 -43.926 1.00 0.00 C ATOM 4 O GLY A 1 -0.505 6.107 -42.915 1.00 0.00 O ATOM 0 H1 GLY A 1 1.555 8.306 -45.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.478 8.849 -44.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.526 7.553 -43.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.653 7.551 -45.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.428 6.214 -45.511 1.00 0.00 H new ATOM 8 N SER A 2 -2.267 6.839 -44.129 1.00 0.00 N ATOM 9 CA SER A 2 -3.254 6.459 -43.133 1.00 0.00 C ATOM 10 C SER A 2 -3.037 7.261 -41.848 1.00 0.00 C ATOM 11 O SER A 2 -1.910 7.637 -41.530 1.00 0.00 O ATOM 12 CB SER A 2 -3.190 4.959 -42.839 1.00 0.00 C ATOM 13 OG SER A 2 -3.314 4.177 -44.024 1.00 0.00 O ATOM 0 H SER A 2 -2.653 7.270 -44.969 1.00 0.00 H new ATOM 0 HA SER A 2 -4.244 6.682 -43.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.245 4.726 -42.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.985 4.692 -42.143 1.00 0.00 H new ATOM 0 HG SER A 2 -3.267 3.225 -43.794 1.00 0.00 H new ATOM 19 N SER A 3 -4.134 7.500 -41.145 1.00 0.00 N ATOM 20 CA SER A 3 -4.077 8.251 -39.902 1.00 0.00 C ATOM 21 C SER A 3 -5.475 8.350 -39.287 1.00 0.00 C ATOM 22 O SER A 3 -6.475 8.153 -39.975 1.00 0.00 O ATOM 23 CB SER A 3 -3.497 9.648 -40.129 1.00 0.00 C ATOM 24 OG SER A 3 -3.228 10.320 -38.901 1.00 0.00 O ATOM 0 H SER A 3 -5.067 7.187 -41.412 1.00 0.00 H new ATOM 0 HA SER A 3 -3.420 7.722 -39.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.577 9.569 -40.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.196 10.239 -40.720 1.00 0.00 H new ATOM 0 HG SER A 3 -2.857 11.208 -39.088 1.00 0.00 H new ATOM 30 N GLY A 4 -5.499 8.656 -37.998 1.00 0.00 N ATOM 31 CA GLY A 4 -6.757 8.784 -37.282 1.00 0.00 C ATOM 32 C GLY A 4 -6.522 9.211 -35.832 1.00 0.00 C ATOM 33 O GLY A 4 -5.380 9.399 -35.414 1.00 0.00 O ATOM 0 H GLY A 4 -4.667 8.819 -37.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.391 9.516 -37.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.290 7.833 -37.303 1.00 0.00 H new ATOM 37 N SER A 5 -7.620 9.352 -35.105 1.00 0.00 N ATOM 38 CA SER A 5 -7.548 9.754 -33.710 1.00 0.00 C ATOM 39 C SER A 5 -8.939 9.693 -33.076 1.00 0.00 C ATOM 40 O SER A 5 -9.945 9.636 -33.781 1.00 0.00 O ATOM 41 CB SER A 5 -6.962 11.160 -33.572 1.00 0.00 C ATOM 42 OG SER A 5 -6.058 11.257 -32.475 1.00 0.00 O ATOM 0 H SER A 5 -8.565 9.195 -35.455 1.00 0.00 H new ATOM 0 HA SER A 5 -6.887 9.062 -33.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.445 11.429 -34.493 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.771 11.878 -33.440 1.00 0.00 H new ATOM 0 HG SER A 5 -5.705 12.169 -32.422 1.00 0.00 H new ATOM 48 N SER A 6 -8.951 9.708 -31.751 1.00 0.00 N ATOM 49 CA SER A 6 -10.202 9.655 -31.013 1.00 0.00 C ATOM 50 C SER A 6 -10.702 11.073 -30.730 1.00 0.00 C ATOM 51 O SER A 6 -11.788 11.451 -31.167 1.00 0.00 O ATOM 52 CB SER A 6 -10.038 8.879 -29.705 1.00 0.00 C ATOM 53 OG SER A 6 -11.141 8.012 -29.457 1.00 0.00 O ATOM 0 H SER A 6 -8.114 9.756 -31.169 1.00 0.00 H new ATOM 0 HA SER A 6 -10.938 9.132 -31.624 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.119 8.294 -29.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.935 9.581 -28.877 1.00 0.00 H new ATOM 0 HG SER A 6 -10.998 7.533 -28.614 1.00 0.00 H new ATOM 59 N GLY A 7 -9.886 11.819 -29.999 1.00 0.00 N ATOM 60 CA GLY A 7 -10.232 13.187 -29.652 1.00 0.00 C ATOM 61 C GLY A 7 -11.019 13.237 -28.341 1.00 0.00 C ATOM 62 O GLY A 7 -11.578 12.230 -27.909 1.00 0.00 O ATOM 0 H GLY A 7 -8.986 11.502 -29.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.324 13.783 -29.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.824 13.631 -30.453 1.00 0.00 H new ATOM 66 N THR A 8 -11.039 14.420 -27.745 1.00 0.00 N ATOM 67 CA THR A 8 -11.748 14.615 -26.492 1.00 0.00 C ATOM 68 C THR A 8 -12.308 16.037 -26.412 1.00 0.00 C ATOM 69 O THR A 8 -11.657 16.989 -26.839 1.00 0.00 O ATOM 70 CB THR A 8 -10.791 14.274 -25.348 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.570 12.873 -25.487 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.447 14.413 -23.973 1.00 0.00 C ATOM 0 H THR A 8 -10.575 15.253 -28.107 1.00 0.00 H new ATOM 0 HA THR A 8 -12.612 13.954 -26.420 1.00 0.00 H new ATOM 0 HB THR A 8 -9.918 14.924 -25.400 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.958 12.567 -24.785 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.724 14.159 -23.198 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.784 15.440 -23.833 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.301 13.739 -23.907 1.00 0.00 H new ATOM 80 N GLY A 9 -13.509 16.136 -25.861 1.00 0.00 N ATOM 81 CA GLY A 9 -14.163 17.425 -25.719 1.00 0.00 C ATOM 82 C GLY A 9 -14.687 17.620 -24.295 1.00 0.00 C ATOM 83 O GLY A 9 -15.197 16.683 -23.683 1.00 0.00 O ATOM 0 H GLY A 9 -14.046 15.344 -25.508 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.461 18.222 -25.964 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.988 17.498 -26.427 1.00 0.00 H new ATOM 87 N ALA A 10 -14.543 18.844 -23.808 1.00 0.00 N ATOM 88 CA ALA A 10 -14.996 19.174 -22.467 1.00 0.00 C ATOM 89 C ALA A 10 -15.119 20.694 -22.335 1.00 0.00 C ATOM 90 O ALA A 10 -14.191 21.427 -22.673 1.00 0.00 O ATOM 91 CB ALA A 10 -14.032 18.576 -21.441 1.00 0.00 C ATOM 0 H ALA A 10 -14.119 19.619 -24.318 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.980 18.746 -22.278 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.372 18.823 -20.435 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.002 17.493 -21.558 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.034 18.985 -21.598 1.00 0.00 H new ATOM 97 N LEU A 11 -16.272 21.121 -21.842 1.00 0.00 N ATOM 98 CA LEU A 11 -16.528 22.540 -21.660 1.00 0.00 C ATOM 99 C LEU A 11 -16.116 22.951 -20.245 1.00 0.00 C ATOM 100 O LEU A 11 -16.848 22.710 -19.287 1.00 0.00 O ATOM 101 CB LEU A 11 -17.984 22.869 -21.997 1.00 0.00 C ATOM 102 CG LEU A 11 -18.281 23.167 -23.468 1.00 0.00 C ATOM 103 CD1 LEU A 11 -17.844 24.585 -23.839 1.00 0.00 C ATOM 104 CD2 LEU A 11 -17.647 22.115 -24.380 1.00 0.00 C ATOM 0 H LEU A 11 -17.039 20.510 -21.563 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.924 23.128 -22.351 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -18.607 22.031 -21.684 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -18.288 23.731 -21.404 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.360 23.113 -23.616 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.066 24.771 -24.890 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.381 25.305 -23.221 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -16.772 24.691 -23.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.874 22.351 -25.420 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.567 22.112 -24.236 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -18.048 21.132 -24.135 1.00 0.00 H new ATOM 116 N MET A 12 -14.946 23.566 -20.159 1.00 0.00 N ATOM 117 CA MET A 12 -14.428 24.013 -18.878 1.00 0.00 C ATOM 118 C MET A 12 -13.163 24.854 -19.061 1.00 0.00 C ATOM 119 O MET A 12 -13.139 26.032 -18.708 1.00 0.00 O ATOM 120 CB MET A 12 -14.112 22.799 -18.002 1.00 0.00 C ATOM 121 CG MET A 12 -14.985 22.786 -16.746 1.00 0.00 C ATOM 122 SD MET A 12 -14.579 24.179 -15.706 1.00 0.00 S ATOM 123 CE MET A 12 -15.444 23.716 -14.216 1.00 0.00 C ATOM 0 H MET A 12 -14.342 23.765 -20.956 1.00 0.00 H new ATOM 0 HA MET A 12 -15.186 24.631 -18.397 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.274 21.884 -18.571 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.060 22.815 -17.718 1.00 0.00 H new ATOM 0 HG2 MET A 12 -16.038 22.824 -17.025 1.00 0.00 H new ATOM 0 HG3 MET A 12 -14.834 21.856 -16.198 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.295 24.483 -13.456 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.508 23.618 -14.429 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.058 22.764 -13.852 1.00 0.00 H new ATOM 133 N ALA A 13 -12.141 24.215 -19.612 1.00 0.00 N ATOM 134 CA ALA A 13 -10.876 24.890 -19.846 1.00 0.00 C ATOM 135 C ALA A 13 -10.158 24.224 -21.022 1.00 0.00 C ATOM 136 O ALA A 13 -9.930 24.855 -22.053 1.00 0.00 O ATOM 137 CB ALA A 13 -10.040 24.867 -18.565 1.00 0.00 C ATOM 0 H ALA A 13 -12.163 23.238 -19.903 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.041 25.935 -20.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.091 25.373 -18.741 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.581 25.377 -17.768 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.851 23.834 -18.272 1.00 0.00 H new ATOM 143 N SER A 14 -9.822 22.957 -20.829 1.00 0.00 N ATOM 144 CA SER A 14 -9.135 22.199 -21.860 1.00 0.00 C ATOM 145 C SER A 14 -9.626 20.749 -21.859 1.00 0.00 C ATOM 146 O SER A 14 -10.218 20.290 -22.834 1.00 0.00 O ATOM 147 CB SER A 14 -7.619 22.246 -21.661 1.00 0.00 C ATOM 148 OG SER A 14 -6.919 22.304 -22.901 1.00 0.00 O ATOM 0 H SER A 14 -10.013 22.436 -19.973 1.00 0.00 H new ATOM 0 HA SER A 14 -9.362 22.652 -22.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.359 23.116 -21.057 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.299 21.365 -21.105 1.00 0.00 H new ATOM 0 HG SER A 14 -5.954 22.334 -22.731 1.00 0.00 H new ATOM 154 N SER A 15 -9.360 20.070 -20.753 1.00 0.00 N ATOM 155 CA SER A 15 -9.767 18.682 -20.612 1.00 0.00 C ATOM 156 C SER A 15 -9.501 18.201 -19.184 1.00 0.00 C ATOM 157 O SER A 15 -8.488 17.553 -18.922 1.00 0.00 O ATOM 158 CB SER A 15 -9.038 17.789 -21.618 1.00 0.00 C ATOM 159 OG SER A 15 -9.931 16.910 -22.296 1.00 0.00 O ATOM 0 H SER A 15 -8.868 20.455 -19.947 1.00 0.00 H new ATOM 0 HA SER A 15 -10.835 18.616 -20.817 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.519 18.412 -22.347 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.278 17.205 -21.100 1.00 0.00 H new ATOM 0 HG SER A 15 -9.428 16.358 -22.930 1.00 0.00 H new ATOM 165 N PRO A 16 -10.451 18.546 -18.275 1.00 0.00 N ATOM 166 CA PRO A 16 -10.329 18.156 -16.880 1.00 0.00 C ATOM 167 C PRO A 16 -10.642 16.670 -16.696 1.00 0.00 C ATOM 168 O PRO A 16 -11.640 16.315 -16.070 1.00 0.00 O ATOM 169 CB PRO A 16 -11.292 19.063 -16.132 1.00 0.00 C ATOM 170 CG PRO A 16 -12.254 19.603 -17.179 1.00 0.00 C ATOM 171 CD PRO A 16 -11.663 19.312 -18.549 1.00 0.00 C ATOM 0 HA PRO A 16 -9.315 18.273 -16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.826 18.512 -15.358 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.759 19.874 -15.636 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.232 19.133 -17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.400 20.675 -17.046 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.358 18.745 -19.168 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.436 20.233 -19.086 1.00 0.00 H new ATOM 179 N GLN A 17 -9.772 15.841 -17.254 1.00 0.00 N ATOM 180 CA GLN A 17 -9.943 14.401 -17.159 1.00 0.00 C ATOM 181 C GLN A 17 -8.740 13.682 -17.772 1.00 0.00 C ATOM 182 O GLN A 17 -8.888 12.915 -18.722 1.00 0.00 O ATOM 183 CB GLN A 17 -11.246 13.959 -17.830 1.00 0.00 C ATOM 184 CG GLN A 17 -12.339 13.704 -16.790 1.00 0.00 C ATOM 185 CD GLN A 17 -12.566 12.204 -16.590 1.00 0.00 C ATOM 186 OE1 GLN A 17 -12.227 11.382 -17.425 1.00 0.00 O ATOM 187 NE2 GLN A 17 -13.157 11.895 -15.439 1.00 0.00 N ATOM 0 H GLN A 17 -8.946 16.139 -17.774 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.005 14.130 -16.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.577 14.726 -18.530 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.072 13.052 -18.409 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.058 14.163 -15.842 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.268 14.177 -17.110 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.415 12.633 -14.784 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.352 10.920 -15.212 1.00 0.00 H new ATOM 196 N ASP A 18 -7.575 13.955 -17.202 1.00 0.00 N ATOM 197 CA ASP A 18 -6.347 13.344 -17.680 1.00 0.00 C ATOM 198 C ASP A 18 -5.414 13.089 -16.494 1.00 0.00 C ATOM 199 O ASP A 18 -4.665 13.975 -16.088 1.00 0.00 O ATOM 200 CB ASP A 18 -5.620 14.263 -18.664 1.00 0.00 C ATOM 201 CG ASP A 18 -5.500 13.720 -20.089 1.00 0.00 C ATOM 202 OD1 ASP A 18 -4.893 12.637 -20.234 1.00 0.00 O ATOM 203 OD2 ASP A 18 -6.018 14.400 -21.001 1.00 0.00 O ATOM 0 H ASP A 18 -7.456 14.591 -16.414 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.608 12.413 -18.182 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.142 15.219 -18.699 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.619 14.461 -18.281 1.00 0.00 H new ATOM 208 N ILE A 19 -5.491 11.873 -15.973 1.00 0.00 N ATOM 209 CA ILE A 19 -4.663 11.490 -14.842 1.00 0.00 C ATOM 210 C ILE A 19 -3.242 12.016 -15.055 1.00 0.00 C ATOM 211 O ILE A 19 -2.704 11.932 -16.158 1.00 0.00 O ATOM 212 CB ILE A 19 -4.732 9.979 -14.615 1.00 0.00 C ATOM 213 CG1 ILE A 19 -6.182 9.490 -14.618 1.00 0.00 C ATOM 214 CG2 ILE A 19 -3.997 9.583 -13.332 1.00 0.00 C ATOM 215 CD1 ILE A 19 -6.340 8.238 -13.752 1.00 0.00 C ATOM 0 H ILE A 19 -6.114 11.140 -16.313 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.037 11.944 -13.924 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.223 9.486 -15.443 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.836 10.279 -14.246 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.494 9.272 -15.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.061 8.504 -13.194 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.950 9.878 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.455 10.085 -12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.380 7.911 -13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.703 7.444 -14.141 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.050 8.466 -12.726 1.00 0.00 H new ATOM 227 N LYS A 20 -2.674 12.546 -13.981 1.00 0.00 N ATOM 228 CA LYS A 20 -1.326 13.085 -14.037 1.00 0.00 C ATOM 229 C LYS A 20 -0.344 11.959 -14.365 1.00 0.00 C ATOM 230 O LYS A 20 0.391 12.038 -15.348 1.00 0.00 O ATOM 231 CB LYS A 20 -0.994 13.833 -12.744 1.00 0.00 C ATOM 232 CG LYS A 20 0.425 13.510 -12.273 1.00 0.00 C ATOM 233 CD LYS A 20 0.953 14.600 -11.337 1.00 0.00 C ATOM 234 CE LYS A 20 2.432 14.377 -11.016 1.00 0.00 C ATOM 235 NZ LYS A 20 3.221 15.588 -11.335 1.00 0.00 N ATOM 0 H LYS A 20 -3.123 12.613 -13.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.244 13.823 -14.835 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.092 14.907 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.709 13.561 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.431 12.549 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.085 13.414 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.821 15.578 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.373 14.604 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.548 14.128 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.810 13.529 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.222 15.419 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.125 15.808 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.871 16.389 -10.772 1.00 0.00 H new ATOM 249 N PHE A 21 -0.363 10.936 -13.523 1.00 0.00 N ATOM 250 CA PHE A 21 0.516 9.795 -13.711 1.00 0.00 C ATOM 251 C PHE A 21 -0.087 8.794 -14.699 1.00 0.00 C ATOM 252 O PHE A 21 0.557 8.415 -15.676 1.00 0.00 O ATOM 253 CB PHE A 21 0.669 9.118 -12.348 1.00 0.00 C ATOM 254 CG PHE A 21 0.906 10.092 -11.192 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.164 10.530 -10.919 1.00 0.00 C ATOM 256 CD2 PHE A 21 -0.142 10.521 -10.439 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.383 11.435 -9.846 1.00 0.00 C ATOM 258 CE2 PHE A 21 0.077 11.426 -9.366 1.00 0.00 C ATOM 259 CZ PHE A 21 1.336 11.863 -9.093 1.00 0.00 C ATOM 0 H PHE A 21 -0.974 10.874 -12.708 1.00 0.00 H new ATOM 0 HA PHE A 21 1.474 10.127 -14.111 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.229 8.535 -12.140 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.501 8.416 -12.394 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.996 10.190 -11.518 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.141 10.174 -10.657 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.382 11.783 -9.629 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.755 11.767 -8.768 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.503 12.551 -8.277 1.00 0.00 H new ATOM 269 N GLN A 22 -1.318 8.396 -14.411 1.00 0.00 N ATOM 270 CA GLN A 22 -2.016 7.447 -15.262 1.00 0.00 C ATOM 271 C GLN A 22 -1.595 6.016 -14.918 1.00 0.00 C ATOM 272 O GLN A 22 -2.423 5.204 -14.509 1.00 0.00 O ATOM 273 CB GLN A 22 -1.767 7.751 -16.740 1.00 0.00 C ATOM 274 CG GLN A 22 -1.804 9.257 -17.004 1.00 0.00 C ATOM 275 CD GLN A 22 -2.494 9.564 -18.335 1.00 0.00 C ATOM 276 OE1 GLN A 22 -2.735 8.692 -19.154 1.00 0.00 O ATOM 277 NE2 GLN A 22 -2.797 10.848 -18.504 1.00 0.00 N ATOM 0 H GLN A 22 -1.850 8.713 -13.600 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.086 7.544 -15.080 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.799 7.349 -17.039 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.521 7.253 -17.349 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.331 9.759 -16.193 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.788 9.653 -17.017 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.567 11.526 -17.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.260 11.154 -19.360 1.00 0.00 H new ATOM 286 N ASP A 23 -0.309 5.753 -15.096 1.00 0.00 N ATOM 287 CA ASP A 23 0.231 4.435 -14.809 1.00 0.00 C ATOM 288 C ASP A 23 0.659 4.371 -13.341 1.00 0.00 C ATOM 289 O ASP A 23 1.736 3.868 -13.026 1.00 0.00 O ATOM 290 CB ASP A 23 1.460 4.143 -15.673 1.00 0.00 C ATOM 291 CG ASP A 23 1.161 3.843 -17.143 1.00 0.00 C ATOM 292 OD1 ASP A 23 -0.042 3.743 -17.468 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.142 3.720 -17.908 1.00 0.00 O ATOM 0 H ASP A 23 0.375 6.430 -15.435 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.544 3.700 -15.024 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.133 4.999 -15.622 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.992 3.293 -15.245 1.00 0.00 H new ATOM 298 N LEU A 24 -0.207 4.890 -12.483 1.00 0.00 N ATOM 299 CA LEU A 24 0.068 4.898 -11.056 1.00 0.00 C ATOM 300 C LEU A 24 -1.232 4.644 -10.289 1.00 0.00 C ATOM 301 O LEU A 24 -1.684 5.496 -9.527 1.00 0.00 O ATOM 302 CB LEU A 24 0.775 6.194 -10.655 1.00 0.00 C ATOM 303 CG LEU A 24 1.882 6.058 -9.608 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.309 5.626 -8.257 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.982 5.111 -10.093 1.00 0.00 C ATOM 0 H LEU A 24 -1.099 5.308 -12.748 1.00 0.00 H new ATOM 0 HA LEU A 24 0.755 4.093 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.203 6.643 -11.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.027 6.890 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 24 2.339 7.037 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.117 5.537 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.591 6.370 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.810 4.663 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.757 5.032 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.557 4.125 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.418 5.500 -11.013 1.00 0.00 H new ATOM 317 N VAL A 25 -1.796 3.467 -10.519 1.00 0.00 N ATOM 318 CA VAL A 25 -3.034 3.090 -9.859 1.00 0.00 C ATOM 319 C VAL A 25 -2.737 2.702 -8.409 1.00 0.00 C ATOM 320 O VAL A 25 -1.983 1.763 -8.156 1.00 0.00 O ATOM 321 CB VAL A 25 -3.728 1.976 -10.646 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.195 1.844 -10.232 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.602 2.208 -12.153 1.00 0.00 C ATOM 0 H VAL A 25 -1.418 2.763 -11.153 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.726 3.932 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.227 1.037 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.665 1.045 -10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.253 1.609 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.713 2.783 -10.425 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.104 1.402 -12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.064 3.160 -12.414 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.548 2.228 -12.431 1.00 0.00 H new ATOM 333 N VAL A 26 -3.344 3.444 -7.495 1.00 0.00 N ATOM 334 CA VAL A 26 -3.154 3.189 -6.077 1.00 0.00 C ATOM 335 C VAL A 26 -4.460 2.664 -5.478 1.00 0.00 C ATOM 336 O VAL A 26 -5.510 3.289 -5.624 1.00 0.00 O ATOM 337 CB VAL A 26 -2.643 4.453 -5.382 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.644 4.282 -3.862 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.251 4.834 -5.890 1.00 0.00 C ATOM 0 H VAL A 26 -3.968 4.222 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.395 2.421 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.324 5.268 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.276 5.195 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.659 4.081 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.997 3.448 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.912 5.735 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.555 4.020 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.293 5.019 -6.963 1.00 0.00 H new ATOM 349 N PHE A 27 -4.353 1.521 -4.816 1.00 0.00 N ATOM 350 CA PHE A 27 -5.513 0.905 -4.195 1.00 0.00 C ATOM 351 C PHE A 27 -5.323 0.782 -2.682 1.00 0.00 C ATOM 352 O PHE A 27 -4.490 0.004 -2.218 1.00 0.00 O ATOM 353 CB PHE A 27 -5.651 -0.495 -4.795 1.00 0.00 C ATOM 354 CG PHE A 27 -6.724 -1.357 -4.125 1.00 0.00 C ATOM 355 CD1 PHE A 27 -8.025 -1.237 -4.501 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.375 -2.242 -3.153 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.020 -2.037 -3.879 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.370 -3.041 -2.531 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.671 -2.922 -2.907 1.00 0.00 C ATOM 0 H PHE A 27 -3.481 1.006 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.399 1.514 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.884 -0.403 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.691 -1.006 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.302 -0.534 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.341 -2.337 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.054 -1.943 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.093 -3.744 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.428 -3.530 -2.434 1.00 0.00 H new ATOM 369 N ILE A 28 -6.109 1.560 -1.953 1.00 0.00 N ATOM 370 CA ILE A 28 -6.038 1.548 -0.502 1.00 0.00 C ATOM 371 C ILE A 28 -6.833 0.355 0.033 1.00 0.00 C ATOM 372 O ILE A 28 -7.867 -0.008 -0.526 1.00 0.00 O ATOM 373 CB ILE A 28 -6.490 2.894 0.068 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.493 4.000 -0.282 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.733 2.797 1.576 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.867 5.313 0.408 1.00 0.00 C ATOM 0 H ILE A 28 -6.799 2.204 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.007 1.419 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.441 3.159 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.490 3.699 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.471 4.146 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.053 3.767 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.508 2.056 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.811 2.498 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.142 6.083 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.861 5.623 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.865 5.170 1.489 1.00 0.00 H new ATOM 388 N LEU A 29 -6.321 -0.222 1.110 1.00 0.00 N ATOM 389 CA LEU A 29 -6.970 -1.366 1.727 1.00 0.00 C ATOM 390 C LEU A 29 -7.700 -0.911 2.993 1.00 0.00 C ATOM 391 O LEU A 29 -7.078 -0.397 3.921 1.00 0.00 O ATOM 392 CB LEU A 29 -5.960 -2.489 1.969 1.00 0.00 C ATOM 393 CG LEU A 29 -6.539 -3.818 2.458 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.197 -4.585 1.309 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.472 -4.654 3.168 1.00 0.00 C ATOM 0 H LEU A 29 -5.464 0.082 1.571 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.722 -1.784 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.419 -2.671 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.230 -2.143 2.700 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.318 -3.602 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.600 -5.526 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.004 -3.986 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.456 -4.790 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.911 -5.593 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.654 -4.862 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.090 -4.103 4.027 1.00 0.00 H new ATOM 407 N GLU A 30 -9.008 -1.118 2.990 1.00 0.00 N ATOM 408 CA GLU A 30 -9.829 -0.737 4.127 1.00 0.00 C ATOM 409 C GLU A 30 -9.316 -1.409 5.401 1.00 0.00 C ATOM 410 O GLU A 30 -9.162 -0.757 6.433 1.00 0.00 O ATOM 411 CB GLU A 30 -11.300 -1.078 3.880 1.00 0.00 C ATOM 412 CG GLU A 30 -12.163 -0.684 5.080 1.00 0.00 C ATOM 413 CD GLU A 30 -12.469 -1.898 5.959 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.445 -2.606 5.629 1.00 0.00 O ATOM 415 OE2 GLU A 30 -11.720 -2.092 6.940 1.00 0.00 O ATOM 0 H GLU A 30 -9.520 -1.545 2.218 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.758 0.343 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.652 -0.560 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.402 -2.146 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.648 0.075 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.095 -0.239 4.731 1.00 0.00 H new ATOM 422 N LYS A 31 -9.066 -2.705 5.289 1.00 0.00 N ATOM 423 CA LYS A 31 -8.574 -3.473 6.420 1.00 0.00 C ATOM 424 C LYS A 31 -7.587 -2.620 7.219 1.00 0.00 C ATOM 425 O LYS A 31 -6.636 -2.077 6.660 1.00 0.00 O ATOM 426 CB LYS A 31 -7.992 -4.808 5.949 1.00 0.00 C ATOM 427 CG LYS A 31 -9.089 -5.719 5.394 1.00 0.00 C ATOM 428 CD LYS A 31 -8.959 -5.873 3.878 1.00 0.00 C ATOM 429 CE LYS A 31 -10.136 -6.664 3.304 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.196 -6.511 1.833 1.00 0.00 N ATOM 0 H LYS A 31 -9.195 -3.243 4.432 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.393 -3.728 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.239 -4.630 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.489 -5.303 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.028 -6.698 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.068 -5.306 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.916 -4.889 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.024 -6.380 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.034 -7.718 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.068 -6.316 3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.164 -6.702 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.927 -5.541 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.540 -7.183 1.387 1.00 0.00 H new ATOM 444 N LYS A 32 -7.847 -2.529 8.515 1.00 0.00 N ATOM 445 CA LYS A 32 -6.994 -1.751 9.397 1.00 0.00 C ATOM 446 C LYS A 32 -7.025 -0.284 8.966 1.00 0.00 C ATOM 447 O LYS A 32 -5.983 0.307 8.687 1.00 0.00 O ATOM 448 CB LYS A 32 -5.586 -2.349 9.444 1.00 0.00 C ATOM 449 CG LYS A 32 -5.596 -3.723 10.116 1.00 0.00 C ATOM 450 CD LYS A 32 -4.186 -4.315 10.175 1.00 0.00 C ATOM 451 CE LYS A 32 -4.223 -5.837 10.018 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.241 -6.475 10.922 1.00 0.00 N ATOM 0 H LYS A 32 -8.637 -2.981 8.976 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.367 -1.790 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.191 -2.438 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.920 -1.679 9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.000 -3.636 11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.254 -4.396 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.572 -3.879 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.718 -4.055 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.224 -6.207 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.004 -6.107 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.279 -7.507 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.285 -6.135 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.467 -6.232 11.908 1.00 0.00 H new ATOM 466 N MET A 33 -8.231 0.262 8.926 1.00 0.00 N ATOM 467 CA MET A 33 -8.412 1.650 8.534 1.00 0.00 C ATOM 468 C MET A 33 -9.888 2.049 8.592 1.00 0.00 C ATOM 469 O MET A 33 -10.290 2.828 9.455 1.00 0.00 O ATOM 470 CB MET A 33 -7.885 1.851 7.111 1.00 0.00 C ATOM 471 CG MET A 33 -7.563 3.324 6.850 1.00 0.00 C ATOM 472 SD MET A 33 -7.293 3.589 5.105 1.00 0.00 S ATOM 473 CE MET A 33 -5.746 2.723 4.896 1.00 0.00 C ATOM 0 H MET A 33 -9.093 -0.231 9.159 1.00 0.00 H new ATOM 0 HA MET A 33 -7.857 2.280 9.230 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.990 1.247 6.962 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.627 1.504 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.383 3.952 7.199 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.676 3.616 7.412 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.026 3.378 4.405 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.360 2.426 5.871 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.906 1.835 4.284 1.00 0.00 H new ATOM 483 N GLY A 34 -10.654 1.496 7.663 1.00 0.00 N ATOM 484 CA GLY A 34 -12.077 1.785 7.598 1.00 0.00 C ATOM 485 C GLY A 34 -12.454 2.383 6.242 1.00 0.00 C ATOM 486 O GLY A 34 -11.689 2.289 5.283 1.00 0.00 O ATOM 0 H GLY A 34 -10.317 0.850 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.645 0.870 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.347 2.480 8.393 1.00 0.00 H new ATOM 490 N THR A 35 -13.633 2.987 6.204 1.00 0.00 N ATOM 491 CA THR A 35 -14.120 3.601 4.981 1.00 0.00 C ATOM 492 C THR A 35 -13.680 5.064 4.907 1.00 0.00 C ATOM 493 O THR A 35 -13.078 5.486 3.921 1.00 0.00 O ATOM 494 CB THR A 35 -15.639 3.420 4.934 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.816 2.017 4.761 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.263 4.032 3.678 1.00 0.00 C ATOM 0 H THR A 35 -14.265 3.064 7.001 1.00 0.00 H new ATOM 0 HA THR A 35 -13.693 3.121 4.100 1.00 0.00 H new ATOM 0 HB THR A 35 -16.086 3.873 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.773 1.810 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.342 3.876 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.052 5.101 3.651 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.841 3.556 2.793 1.00 0.00 H new ATOM 504 N THR A 36 -13.998 5.799 5.963 1.00 0.00 N ATOM 505 CA THR A 36 -13.642 7.206 6.030 1.00 0.00 C ATOM 506 C THR A 36 -12.224 7.424 5.499 1.00 0.00 C ATOM 507 O THR A 36 -12.040 7.994 4.425 1.00 0.00 O ATOM 508 CB THR A 36 -13.829 7.673 7.475 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.223 7.502 7.718 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.604 9.177 7.638 1.00 0.00 C ATOM 0 H THR A 36 -14.498 5.446 6.779 1.00 0.00 H new ATOM 0 HA THR A 36 -14.289 7.808 5.393 1.00 0.00 H new ATOM 0 HB THR A 36 -13.141 7.131 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.432 7.780 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.749 9.456 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.588 9.428 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.314 9.721 7.015 1.00 0.00 H new ATOM 518 N ARG A 37 -11.258 6.958 6.276 1.00 0.00 N ATOM 519 CA ARG A 37 -9.862 7.095 5.898 1.00 0.00 C ATOM 520 C ARG A 37 -9.634 6.527 4.496 1.00 0.00 C ATOM 521 O ARG A 37 -9.234 7.253 3.586 1.00 0.00 O ATOM 522 CB ARG A 37 -8.949 6.369 6.889 1.00 0.00 C ATOM 523 CG ARG A 37 -8.339 7.350 7.892 1.00 0.00 C ATOM 524 CD ARG A 37 -6.859 7.043 8.128 1.00 0.00 C ATOM 525 NE ARG A 37 -6.214 8.173 8.834 1.00 0.00 N ATOM 526 CZ ARG A 37 -4.896 8.416 8.816 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.075 7.610 8.129 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.399 9.465 9.486 1.00 0.00 N ATOM 0 H ARG A 37 -11.414 6.485 7.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.619 8.157 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.517 5.606 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.154 5.855 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.448 8.369 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.881 7.294 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.758 6.131 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.359 6.866 7.176 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.810 8.806 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.453 6.811 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.072 7.795 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.024 10.078 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.396 9.650 9.472 1.00 0.00 H new ATOM 542 N ARG A 38 -9.897 5.235 4.365 1.00 0.00 N ATOM 543 CA ARG A 38 -9.726 4.562 3.088 1.00 0.00 C ATOM 544 C ARG A 38 -10.168 5.475 1.943 1.00 0.00 C ATOM 545 O ARG A 38 -9.384 5.773 1.043 1.00 0.00 O ATOM 546 CB ARG A 38 -10.533 3.264 3.038 1.00 0.00 C ATOM 547 CG ARG A 38 -10.646 2.744 1.603 1.00 0.00 C ATOM 548 CD ARG A 38 -11.203 1.319 1.579 1.00 0.00 C ATOM 549 NE ARG A 38 -11.627 0.965 0.205 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.836 1.239 -0.301 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.750 1.871 0.448 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.133 0.880 -1.558 1.00 0.00 N ATOM 0 H ARG A 38 -10.227 4.636 5.122 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.668 4.323 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.056 2.511 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.529 3.435 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.294 3.402 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.666 2.763 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.445 0.617 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.049 1.239 2.262 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.956 0.482 -0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.525 2.144 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.671 2.079 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.438 0.398 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.054 1.089 -1.944 1.00 0.00 H new ATOM 566 N ALA A 39 -11.423 5.894 2.014 1.00 0.00 N ATOM 567 CA ALA A 39 -11.980 6.767 0.995 1.00 0.00 C ATOM 568 C ALA A 39 -11.218 8.094 0.994 1.00 0.00 C ATOM 569 O ALA A 39 -10.733 8.535 -0.047 1.00 0.00 O ATOM 570 CB ALA A 39 -13.478 6.955 1.245 1.00 0.00 C ATOM 0 H ALA A 39 -12.070 5.645 2.762 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.868 6.322 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.895 7.610 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.978 5.987 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.630 7.402 2.228 1.00 0.00 H new ATOM 576 N LEU A 40 -11.137 8.693 2.173 1.00 0.00 N ATOM 577 CA LEU A 40 -10.442 9.961 2.321 1.00 0.00 C ATOM 578 C LEU A 40 -9.086 9.880 1.618 1.00 0.00 C ATOM 579 O LEU A 40 -8.887 10.497 0.572 1.00 0.00 O ATOM 580 CB LEU A 40 -10.346 10.349 3.798 1.00 0.00 C ATOM 581 CG LEU A 40 -9.817 11.755 4.089 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.983 12.666 2.870 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.478 12.343 5.337 1.00 0.00 C ATOM 0 H LEU A 40 -11.541 8.324 3.034 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.004 10.762 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.337 10.256 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.701 9.628 4.301 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.749 11.682 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.599 13.659 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.429 12.251 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.039 12.737 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.084 13.342 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.556 12.400 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.266 11.706 6.196 1.00 0.00 H new ATOM 595 N LEU A 41 -8.188 9.113 2.219 1.00 0.00 N ATOM 596 CA LEU A 41 -6.856 8.944 1.663 1.00 0.00 C ATOM 597 C LEU A 41 -6.960 8.765 0.147 1.00 0.00 C ATOM 598 O LEU A 41 -6.339 9.506 -0.613 1.00 0.00 O ATOM 599 CB LEU A 41 -6.122 7.801 2.368 1.00 0.00 C ATOM 600 CG LEU A 41 -5.528 8.131 3.739 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.568 9.319 3.648 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.630 8.361 4.774 1.00 0.00 C ATOM 0 H LEU A 41 -8.357 8.602 3.085 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.254 9.835 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.815 6.968 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.317 7.457 1.718 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.947 7.272 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.160 9.533 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.755 9.078 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.105 10.193 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.180 8.594 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.259 9.193 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.238 7.461 4.865 1.00 0.00 H new ATOM 614 N MET A 42 -7.750 7.777 -0.247 1.00 0.00 N ATOM 615 CA MET A 42 -7.943 7.491 -1.659 1.00 0.00 C ATOM 616 C MET A 42 -8.253 8.770 -2.440 1.00 0.00 C ATOM 617 O MET A 42 -7.749 8.964 -3.545 1.00 0.00 O ATOM 618 CB MET A 42 -9.096 6.499 -1.826 1.00 0.00 C ATOM 619 CG MET A 42 -8.609 5.059 -1.652 1.00 0.00 C ATOM 620 SD MET A 42 -9.954 4.023 -1.099 1.00 0.00 S ATOM 621 CE MET A 42 -11.283 4.685 -2.089 1.00 0.00 C ATOM 0 H MET A 42 -8.264 7.165 0.386 1.00 0.00 H new ATOM 0 HA MET A 42 -7.022 7.061 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.875 6.714 -1.094 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.544 6.619 -2.813 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.214 4.683 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.793 5.027 -0.930 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.152 4.031 -2.016 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.546 5.679 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.964 4.751 -3.129 1.00 0.00 H new ATOM 631 N GLU A 43 -9.080 9.609 -1.834 1.00 0.00 N ATOM 632 CA GLU A 43 -9.463 10.864 -2.459 1.00 0.00 C ATOM 633 C GLU A 43 -8.294 11.851 -2.428 1.00 0.00 C ATOM 634 O GLU A 43 -8.092 12.609 -3.375 1.00 0.00 O ATOM 635 CB GLU A 43 -10.700 11.458 -1.783 1.00 0.00 C ATOM 636 CG GLU A 43 -10.697 12.985 -1.877 1.00 0.00 C ATOM 637 CD GLU A 43 -12.066 13.561 -1.509 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.457 13.389 -0.334 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.691 14.159 -2.411 1.00 0.00 O ATOM 0 H GLU A 43 -9.496 9.445 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.718 10.666 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.601 11.063 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.728 11.155 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.936 13.392 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.431 13.290 -2.889 1.00 0.00 H new ATOM 646 N LEU A 44 -7.556 11.810 -1.328 1.00 0.00 N ATOM 647 CA LEU A 44 -6.413 12.691 -1.162 1.00 0.00 C ATOM 648 C LEU A 44 -5.393 12.411 -2.267 1.00 0.00 C ATOM 649 O LEU A 44 -4.869 13.339 -2.882 1.00 0.00 O ATOM 650 CB LEU A 44 -5.839 12.562 0.251 1.00 0.00 C ATOM 651 CG LEU A 44 -6.761 12.998 1.392 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.968 13.689 2.503 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.901 13.876 0.871 1.00 0.00 C ATOM 0 H LEU A 44 -7.727 11.181 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.717 13.733 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.559 11.521 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.923 13.151 0.305 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.214 12.106 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.646 13.989 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.222 13.000 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.470 14.571 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.541 14.172 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.487 14.766 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.488 13.316 0.143 1.00 0.00 H new ATOM 665 N ALA A 45 -5.143 11.129 -2.487 1.00 0.00 N ATOM 666 CA ALA A 45 -4.195 10.716 -3.508 1.00 0.00 C ATOM 667 C ALA A 45 -4.678 11.206 -4.874 1.00 0.00 C ATOM 668 O ALA A 45 -3.884 11.687 -5.682 1.00 0.00 O ATOM 669 CB ALA A 45 -4.024 9.196 -3.461 1.00 0.00 C ATOM 0 H ALA A 45 -5.580 10.362 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.216 11.160 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.313 8.886 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.652 8.902 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.985 8.716 -3.643 1.00 0.00 H new ATOM 675 N ARG A 46 -5.978 11.067 -5.092 1.00 0.00 N ATOM 676 CA ARG A 46 -6.576 11.490 -6.346 1.00 0.00 C ATOM 677 C ARG A 46 -6.286 12.971 -6.600 1.00 0.00 C ATOM 678 O ARG A 46 -5.906 13.352 -7.706 1.00 0.00 O ATOM 679 CB ARG A 46 -8.090 11.268 -6.337 1.00 0.00 C ATOM 680 CG ARG A 46 -8.434 9.820 -6.692 1.00 0.00 C ATOM 681 CD ARG A 46 -9.947 9.633 -6.825 1.00 0.00 C ATOM 682 NE ARG A 46 -10.356 9.805 -8.236 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.554 9.449 -8.720 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.468 8.899 -7.908 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.839 9.642 -10.015 1.00 0.00 N ATOM 0 H ARG A 46 -6.633 10.667 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.137 10.889 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.491 11.510 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.564 11.943 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.946 9.545 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.047 9.151 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.231 8.641 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.468 10.355 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.684 10.221 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.252 8.752 -6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.380 8.628 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.144 10.060 -10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.751 9.371 -10.382 1.00 0.00 H new ATOM 699 N ARG A 47 -6.477 13.766 -5.557 1.00 0.00 N ATOM 700 CA ARG A 47 -6.240 15.196 -5.654 1.00 0.00 C ATOM 701 C ARG A 47 -4.802 15.468 -6.099 1.00 0.00 C ATOM 702 O ARG A 47 -4.499 16.545 -6.609 1.00 0.00 O ATOM 703 CB ARG A 47 -6.490 15.887 -4.312 1.00 0.00 C ATOM 704 CG ARG A 47 -7.982 15.901 -3.972 1.00 0.00 C ATOM 705 CD ARG A 47 -8.244 16.690 -2.687 1.00 0.00 C ATOM 706 NE ARG A 47 -8.636 18.078 -3.016 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.833 18.424 -3.510 1.00 0.00 C ATOM 708 NH1 ARG A 47 -10.761 17.485 -3.735 1.00 0.00 N ATOM 709 NH2 ARG A 47 -10.100 19.709 -3.779 1.00 0.00 N ATOM 0 H ARG A 47 -6.793 13.447 -4.641 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.934 15.597 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.939 15.372 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.112 16.909 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.542 16.344 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.342 14.879 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.033 16.208 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.349 16.694 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.952 18.818 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.557 16.507 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.672 17.748 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.393 20.424 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.011 19.973 -4.155 1.00 0.00 H new ATOM 723 N LYS A 48 -3.954 14.471 -5.891 1.00 0.00 N ATOM 724 CA LYS A 48 -2.555 14.589 -6.265 1.00 0.00 C ATOM 725 C LYS A 48 -2.390 14.204 -7.736 1.00 0.00 C ATOM 726 O LYS A 48 -1.387 14.543 -8.362 1.00 0.00 O ATOM 727 CB LYS A 48 -1.675 13.775 -5.314 1.00 0.00 C ATOM 728 CG LYS A 48 -1.719 14.352 -3.897 1.00 0.00 C ATOM 729 CD LYS A 48 -1.121 15.760 -3.860 1.00 0.00 C ATOM 730 CE LYS A 48 -0.701 16.140 -2.439 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.540 17.248 -1.929 1.00 0.00 N ATOM 0 H LYS A 48 -4.209 13.578 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.221 15.622 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.012 12.738 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.647 13.771 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.750 14.381 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.168 13.701 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.258 15.810 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.851 16.479 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.793 15.275 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.348 16.437 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.242 17.493 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.432 18.078 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.537 16.952 -1.918 1.00 0.00 H new ATOM 745 N GLY A 49 -3.390 13.500 -8.246 1.00 0.00 N ATOM 746 CA GLY A 49 -3.369 13.065 -9.632 1.00 0.00 C ATOM 747 C GLY A 49 -3.329 11.538 -9.727 1.00 0.00 C ATOM 748 O GLY A 49 -3.570 10.972 -10.792 1.00 0.00 O ATOM 0 H GLY A 49 -4.220 13.220 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.252 13.442 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.500 13.487 -10.136 1.00 0.00 H new ATOM 752 N PHE A 50 -3.022 10.915 -8.598 1.00 0.00 N ATOM 753 CA PHE A 50 -2.946 9.466 -8.541 1.00 0.00 C ATOM 754 C PHE A 50 -4.283 8.831 -8.932 1.00 0.00 C ATOM 755 O PHE A 50 -5.338 9.261 -8.468 1.00 0.00 O ATOM 756 CB PHE A 50 -2.622 9.092 -7.093 1.00 0.00 C ATOM 757 CG PHE A 50 -1.138 9.201 -6.739 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.210 8.551 -7.491 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.746 9.949 -5.673 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.168 8.652 -7.163 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.632 10.051 -5.345 1.00 0.00 C ATOM 762 CZ PHE A 50 1.560 9.400 -6.097 1.00 0.00 C ATOM 0 H PHE A 50 -2.823 11.388 -7.716 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.186 9.106 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.192 9.738 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.955 8.070 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.521 7.958 -8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.483 10.466 -5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.905 8.135 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.943 10.645 -4.499 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.608 9.477 -5.848 1.00 0.00 H new ATOM 772 N ARG A 51 -4.194 7.818 -9.781 1.00 0.00 N ATOM 773 CA ARG A 51 -5.383 7.120 -10.240 1.00 0.00 C ATOM 774 C ARG A 51 -5.831 6.093 -9.199 1.00 0.00 C ATOM 775 O ARG A 51 -5.556 4.902 -9.338 1.00 0.00 O ATOM 776 CB ARG A 51 -5.126 6.409 -11.570 1.00 0.00 C ATOM 777 CG ARG A 51 -6.400 5.743 -12.092 1.00 0.00 C ATOM 778 CD ARG A 51 -6.114 4.921 -13.350 1.00 0.00 C ATOM 779 NE ARG A 51 -6.803 5.521 -14.514 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.134 5.557 -14.663 1.00 0.00 C ATOM 781 NH1 ARG A 51 -8.928 5.028 -13.722 1.00 0.00 N ATOM 782 NH2 ARG A 51 -8.672 6.123 -15.752 1.00 0.00 N ATOM 0 H ARG A 51 -3.317 7.464 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.168 7.863 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.759 7.126 -12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.346 5.659 -11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.820 5.098 -11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.148 6.504 -12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.040 4.882 -13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.450 3.894 -13.208 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.228 5.933 -15.249 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.519 4.598 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.941 5.055 -13.835 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.068 6.527 -16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.685 6.150 -15.865 1.00 0.00 H new ATOM 796 N VAL A 52 -6.512 6.591 -8.178 1.00 0.00 N ATOM 797 CA VAL A 52 -7.001 5.731 -7.113 1.00 0.00 C ATOM 798 C VAL A 52 -8.273 5.021 -7.580 1.00 0.00 C ATOM 799 O VAL A 52 -9.018 5.552 -8.403 1.00 0.00 O ATOM 800 CB VAL A 52 -7.205 6.546 -5.834 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.439 5.630 -4.632 1.00 0.00 C ATOM 802 CG2 VAL A 52 -6.022 7.484 -5.587 1.00 0.00 C ATOM 0 H VAL A 52 -6.737 7.579 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.267 4.960 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.096 7.159 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.581 6.234 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.328 5.023 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.575 4.979 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.192 8.051 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.108 6.898 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.921 8.172 -6.427 1.00 0.00 H new ATOM 812 N GLU A 53 -8.484 3.832 -7.034 1.00 0.00 N ATOM 813 CA GLU A 53 -9.653 3.045 -7.384 1.00 0.00 C ATOM 814 C GLU A 53 -10.375 2.575 -6.119 1.00 0.00 C ATOM 815 O GLU A 53 -9.735 2.214 -5.132 1.00 0.00 O ATOM 816 CB GLU A 53 -9.269 1.857 -8.268 1.00 0.00 C ATOM 817 CG GLU A 53 -8.460 2.317 -9.483 1.00 0.00 C ATOM 818 CD GLU A 53 -9.361 2.993 -10.518 1.00 0.00 C ATOM 819 OE1 GLU A 53 -9.992 4.006 -10.147 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.400 2.480 -11.658 1.00 0.00 O ATOM 0 H GLU A 53 -7.864 3.395 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.334 3.676 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.686 1.141 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.169 1.340 -8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.682 3.011 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.959 1.461 -9.936 1.00 0.00 H new ATOM 827 N ASN A 54 -11.698 2.596 -6.189 1.00 0.00 N ATOM 828 CA ASN A 54 -12.514 2.177 -5.062 1.00 0.00 C ATOM 829 C ASN A 54 -12.486 0.651 -4.957 1.00 0.00 C ATOM 830 O ASN A 54 -12.602 0.098 -3.864 1.00 0.00 O ATOM 831 CB ASN A 54 -13.969 2.613 -5.243 1.00 0.00 C ATOM 832 CG ASN A 54 -14.284 3.843 -4.390 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.556 4.822 -4.373 1.00 0.00 O ATOM 834 ND2 ASN A 54 -15.407 3.739 -3.685 1.00 0.00 N ATOM 0 H ASN A 54 -12.225 2.897 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.109 2.640 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.157 2.837 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.634 1.795 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.705 4.507 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.970 2.891 -3.745 1.00 0.00 H new ATOM 841 N GLU A 55 -12.331 0.014 -6.108 1.00 0.00 N ATOM 842 CA GLU A 55 -12.287 -1.438 -6.159 1.00 0.00 C ATOM 843 C GLU A 55 -11.021 -1.905 -6.880 1.00 0.00 C ATOM 844 O GLU A 55 -10.503 -1.206 -7.749 1.00 0.00 O ATOM 845 CB GLU A 55 -13.540 -2.001 -6.832 1.00 0.00 C ATOM 846 CG GLU A 55 -14.765 -1.845 -5.929 1.00 0.00 C ATOM 847 CD GLU A 55 -15.714 -3.035 -6.083 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.193 -4.160 -6.242 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.940 -2.793 -6.037 1.00 0.00 O ATOM 0 H GLU A 55 -12.234 0.476 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.261 -1.818 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.712 -1.485 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.389 -3.055 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.447 -1.761 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.289 -0.922 -6.178 1.00 0.00 H new ATOM 856 N LEU A 56 -10.558 -3.084 -6.491 1.00 0.00 N ATOM 857 CA LEU A 56 -9.362 -3.653 -7.089 1.00 0.00 C ATOM 858 C LEU A 56 -9.608 -3.896 -8.579 1.00 0.00 C ATOM 859 O LEU A 56 -10.752 -4.040 -9.007 1.00 0.00 O ATOM 860 CB LEU A 56 -8.925 -4.904 -6.325 1.00 0.00 C ATOM 861 CG LEU A 56 -7.756 -5.685 -6.930 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.453 -4.891 -6.825 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.636 -7.072 -6.295 1.00 0.00 C ATOM 0 H LEU A 56 -10.990 -3.661 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.529 -2.954 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.654 -4.610 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.781 -5.574 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.957 -5.833 -7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.639 -5.469 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.557 -3.948 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.233 -4.690 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.798 -7.606 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.469 -6.968 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.556 -7.631 -6.466 1.00 0.00 H new ATOM 875 N SER A 57 -8.516 -3.936 -9.328 1.00 0.00 N ATOM 876 CA SER A 57 -8.599 -4.160 -10.761 1.00 0.00 C ATOM 877 C SER A 57 -7.224 -4.542 -11.312 1.00 0.00 C ATOM 878 O SER A 57 -6.219 -4.432 -10.612 1.00 0.00 O ATOM 879 CB SER A 57 -9.134 -2.920 -11.482 1.00 0.00 C ATOM 880 OG SER A 57 -8.804 -1.718 -10.792 1.00 0.00 O ATOM 0 H SER A 57 -7.569 -3.817 -8.969 1.00 0.00 H new ATOM 0 HA SER A 57 -9.295 -4.980 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.725 -2.883 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.217 -2.996 -11.580 1.00 0.00 H new ATOM 0 HG SER A 57 -9.161 -0.950 -11.284 1.00 0.00 H new ATOM 886 N ASP A 58 -7.224 -4.983 -12.561 1.00 0.00 N ATOM 887 CA ASP A 58 -5.988 -5.382 -13.214 1.00 0.00 C ATOM 888 C ASP A 58 -5.135 -4.142 -13.484 1.00 0.00 C ATOM 889 O ASP A 58 -3.982 -4.255 -13.897 1.00 0.00 O ATOM 890 CB ASP A 58 -6.269 -6.064 -14.554 1.00 0.00 C ATOM 891 CG ASP A 58 -5.128 -5.986 -15.570 1.00 0.00 C ATOM 892 OD1 ASP A 58 -4.027 -6.468 -15.226 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.382 -5.447 -16.669 1.00 0.00 O ATOM 0 H ASP A 58 -8.060 -5.073 -13.139 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.469 -6.079 -12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.500 -7.113 -14.369 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.159 -5.614 -14.994 1.00 0.00 H new ATOM 898 N SER A 59 -5.735 -2.986 -13.239 1.00 0.00 N ATOM 899 CA SER A 59 -5.044 -1.725 -13.451 1.00 0.00 C ATOM 900 C SER A 59 -4.268 -1.336 -12.191 1.00 0.00 C ATOM 901 O SER A 59 -3.357 -0.511 -12.249 1.00 0.00 O ATOM 902 CB SER A 59 -6.027 -0.616 -13.832 1.00 0.00 C ATOM 903 OG SER A 59 -6.936 -1.034 -14.847 1.00 0.00 O ATOM 0 H SER A 59 -6.691 -2.896 -12.896 1.00 0.00 H new ATOM 0 HA SER A 59 -4.344 -1.853 -14.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.586 -0.308 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.473 0.256 -14.178 1.00 0.00 H new ATOM 0 HG SER A 59 -7.548 -0.299 -15.061 1.00 0.00 H new ATOM 909 N VAL A 60 -4.657 -1.948 -11.082 1.00 0.00 N ATOM 910 CA VAL A 60 -4.009 -1.676 -9.810 1.00 0.00 C ATOM 911 C VAL A 60 -2.536 -2.083 -9.895 1.00 0.00 C ATOM 912 O VAL A 60 -2.224 -3.259 -10.075 1.00 0.00 O ATOM 913 CB VAL A 60 -4.760 -2.380 -8.679 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.973 -2.306 -7.369 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.165 -1.800 -8.509 1.00 0.00 C ATOM 0 H VAL A 60 -5.413 -2.631 -11.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.039 -0.610 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.863 -3.431 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.529 -2.814 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.004 -2.789 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.824 -1.262 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.677 -2.319 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.094 -0.738 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.726 -1.929 -9.434 1.00 0.00 H new ATOM 925 N THR A 61 -1.671 -1.089 -9.763 1.00 0.00 N ATOM 926 CA THR A 61 -0.240 -1.329 -9.822 1.00 0.00 C ATOM 927 C THR A 61 0.404 -1.059 -8.461 1.00 0.00 C ATOM 928 O THR A 61 1.590 -1.321 -8.267 1.00 0.00 O ATOM 929 CB THR A 61 0.338 -0.469 -10.948 1.00 0.00 C ATOM 930 OG1 THR A 61 0.289 0.858 -10.431 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.574 -0.424 -12.177 1.00 0.00 C ATOM 0 H THR A 61 -1.934 -0.115 -9.615 1.00 0.00 H new ATOM 0 HA THR A 61 -0.024 -2.374 -10.047 1.00 0.00 H new ATOM 0 HB THR A 61 1.316 -0.856 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.325 0.829 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.118 0.199 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.714 -1.434 -12.564 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.541 -0.005 -11.897 1.00 0.00 H new ATOM 939 N HIS A 62 -0.407 -0.538 -7.552 1.00 0.00 N ATOM 940 CA HIS A 62 0.068 -0.229 -6.214 1.00 0.00 C ATOM 941 C HIS A 62 -1.087 -0.350 -5.218 1.00 0.00 C ATOM 942 O HIS A 62 -2.106 0.324 -5.359 1.00 0.00 O ATOM 943 CB HIS A 62 0.739 1.145 -6.179 1.00 0.00 C ATOM 944 CG HIS A 62 1.672 1.403 -7.338 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.303 2.141 -8.449 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.963 1.013 -7.546 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.332 2.186 -9.282 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.360 1.487 -8.721 1.00 0.00 N ATOM 0 H HIS A 62 -1.390 -0.322 -7.716 1.00 0.00 H new ATOM 0 HA HIS A 62 0.832 -0.949 -5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.033 1.915 -6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.297 1.242 -5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.560 0.420 -6.870 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.353 2.688 -10.238 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.282 1.351 -9.136 1.00 0.00 H new ATOM 956 N ILE A 63 -0.890 -1.215 -4.234 1.00 0.00 N ATOM 957 CA ILE A 63 -1.903 -1.433 -3.215 1.00 0.00 C ATOM 958 C ILE A 63 -1.400 -0.888 -1.877 1.00 0.00 C ATOM 959 O ILE A 63 -0.357 -1.314 -1.382 1.00 0.00 O ATOM 960 CB ILE A 63 -2.304 -2.909 -3.166 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.108 -3.300 -4.408 1.00 0.00 C ATOM 962 CG2 ILE A 63 -3.056 -3.230 -1.873 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.191 -4.821 -4.551 1.00 0.00 C ATOM 0 H ILE A 63 -0.044 -1.773 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.814 -0.887 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.395 -3.510 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.113 -2.882 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.643 -2.872 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.329 -4.285 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.417 -3.013 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.958 -2.621 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.768 -5.072 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.186 -5.233 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.679 -5.243 -3.672 1.00 0.00 H new ATOM 975 N VAL A 64 -2.164 0.045 -1.330 1.00 0.00 N ATOM 976 CA VAL A 64 -1.808 0.653 -0.058 1.00 0.00 C ATOM 977 C VAL A 64 -2.515 -0.095 1.074 1.00 0.00 C ATOM 978 O VAL A 64 -3.669 -0.494 0.934 1.00 0.00 O ATOM 979 CB VAL A 64 -2.135 2.148 -0.083 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.928 2.777 1.296 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.308 2.872 -1.147 1.00 0.00 C ATOM 0 H VAL A 64 -3.028 0.395 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.735 0.572 0.118 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.187 2.257 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.167 3.839 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.580 2.289 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.889 2.652 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.560 3.933 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.247 2.750 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.527 2.450 -2.128 1.00 0.00 H new ATOM 991 N ALA A 65 -1.791 -0.261 2.172 1.00 0.00 N ATOM 992 CA ALA A 65 -2.334 -0.954 3.328 1.00 0.00 C ATOM 993 C ALA A 65 -1.626 -0.460 4.591 1.00 0.00 C ATOM 994 O ALA A 65 -0.404 -0.554 4.699 1.00 0.00 O ATOM 995 CB ALA A 65 -2.191 -2.464 3.132 1.00 0.00 C ATOM 0 H ALA A 65 -0.834 0.072 2.285 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.397 -0.740 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.598 -2.984 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.735 -2.768 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.137 -2.718 3.019 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.424 0.055 5.515 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.889 0.563 6.767 1.00 0.00 C ATOM 1003 C GLU A 66 -1.847 -0.549 7.817 1.00 0.00 C ATOM 1004 O GLU A 66 -2.836 -1.252 8.022 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.703 1.758 7.266 1.00 0.00 C ATOM 1006 CG GLU A 66 -3.257 1.497 8.668 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.163 2.643 9.122 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.556 3.438 8.242 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.442 2.698 10.340 1.00 0.00 O ATOM 0 H GLU A 66 -3.437 0.131 5.422 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.870 0.908 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.076 2.650 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.525 1.956 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.817 0.562 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.433 1.379 9.372 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.692 -0.674 8.455 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.509 -1.689 9.479 1.00 0.00 C ATOM 1018 C ASN A 67 -0.345 -3.056 8.812 1.00 0.00 C ATOM 1019 O ASN A 67 0.686 -3.708 8.971 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.722 -1.759 10.409 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.304 -1.578 11.869 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.191 -1.881 12.265 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -2.257 -1.069 12.645 1.00 0.00 N ATOM 0 H ASN A 67 0.126 -0.089 8.283 1.00 0.00 H new ATOM 0 HA ASN A 67 0.375 -1.426 10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.440 -0.987 10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.224 -2.719 10.287 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.077 -0.910 13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.168 -0.837 12.249 1.00 0.00 H new ATOM 1030 N ASN A 68 -1.377 -3.449 8.080 1.00 0.00 N ATOM 1031 CA ASN A 68 -1.360 -4.727 7.388 1.00 0.00 C ATOM 1032 C ASN A 68 0.055 -5.007 6.877 1.00 0.00 C ATOM 1033 O ASN A 68 0.739 -4.100 6.406 1.00 0.00 O ATOM 1034 CB ASN A 68 -2.304 -4.714 6.184 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.203 -3.477 6.206 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -2.780 -2.365 5.933 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -4.464 -3.730 6.543 1.00 0.00 N ATOM 0 H ASN A 68 -2.230 -2.905 7.951 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.683 -5.495 8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.723 -4.730 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.918 -5.614 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.143 -2.970 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.752 -4.684 6.760 1.00 0.00 H new ATOM 1044 N SER A 69 0.451 -6.266 6.988 1.00 0.00 N ATOM 1045 CA SER A 69 1.772 -6.677 6.543 1.00 0.00 C ATOM 1046 C SER A 69 1.700 -7.207 5.110 1.00 0.00 C ATOM 1047 O SER A 69 0.645 -7.650 4.660 1.00 0.00 O ATOM 1048 CB SER A 69 2.361 -7.740 7.473 1.00 0.00 C ATOM 1049 OG SER A 69 2.249 -7.370 8.845 1.00 0.00 O ATOM 0 H SER A 69 -0.120 -7.015 7.380 1.00 0.00 H new ATOM 0 HA SER A 69 2.428 -5.807 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.849 -8.688 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.410 -7.898 7.225 1.00 0.00 H new ATOM 0 HG SER A 69 2.634 -8.075 9.406 1.00 0.00 H new ATOM 1055 N GLY A 70 2.837 -7.143 4.431 1.00 0.00 N ATOM 1056 CA GLY A 70 2.915 -7.611 3.058 1.00 0.00 C ATOM 1057 C GLY A 70 1.998 -8.815 2.835 1.00 0.00 C ATOM 1058 O GLY A 70 1.030 -8.731 2.080 1.00 0.00 O ATOM 0 H GLY A 70 3.711 -6.774 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.635 -6.806 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.943 -7.884 2.821 1.00 0.00 H new ATOM 1062 N SER A 71 2.334 -9.907 3.506 1.00 0.00 N ATOM 1063 CA SER A 71 1.553 -11.126 3.391 1.00 0.00 C ATOM 1064 C SER A 71 0.066 -10.814 3.573 1.00 0.00 C ATOM 1065 O SER A 71 -0.754 -11.164 2.726 1.00 0.00 O ATOM 1066 CB SER A 71 2.006 -12.169 4.415 1.00 0.00 C ATOM 1067 OG SER A 71 2.385 -11.573 5.652 1.00 0.00 O ATOM 0 H SER A 71 3.137 -9.973 4.131 1.00 0.00 H new ATOM 0 HA SER A 71 1.711 -11.541 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.199 -12.881 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.847 -12.732 4.011 1.00 0.00 H new ATOM 0 HG SER A 71 2.666 -12.272 6.279 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.236 -10.159 4.684 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.610 -9.796 4.988 1.00 0.00 C ATOM 1075 C ASP A 72 -2.272 -9.225 3.733 1.00 0.00 C ATOM 1076 O ASP A 72 -3.470 -9.405 3.522 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.668 -8.726 6.081 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.785 -8.913 7.110 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -3.143 -10.086 7.353 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -3.256 -7.879 7.631 1.00 0.00 O ATOM 0 H ASP A 72 0.447 -9.870 5.385 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.127 -10.692 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.712 -8.710 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.789 -7.751 5.608 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.463 -8.547 2.932 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.955 -7.949 1.703 1.00 0.00 C ATOM 1087 C VAL A 73 -1.764 -8.935 0.548 1.00 0.00 C ATOM 1088 O VAL A 73 -2.547 -8.945 -0.400 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.264 -6.605 1.461 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.862 -5.892 0.247 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.336 -5.720 2.707 1.00 0.00 C ATOM 0 H VAL A 73 -0.470 -8.399 3.111 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.022 -7.742 1.781 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.213 -6.802 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.353 -4.940 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.736 -6.514 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.924 -5.713 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.838 -4.771 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.379 -5.536 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.842 -6.222 3.539 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.719 -9.741 0.667 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.416 -10.728 -0.355 1.00 0.00 C ATOM 1103 C LEU A 74 -1.486 -11.822 -0.335 1.00 0.00 C ATOM 1104 O LEU A 74 -2.041 -12.172 -1.375 1.00 0.00 O ATOM 1105 CB LEU A 74 1.009 -11.259 -0.181 1.00 0.00 C ATOM 1106 CG LEU A 74 1.132 -12.700 0.318 1.00 0.00 C ATOM 1107 CD1 LEU A 74 0.635 -13.689 -0.738 1.00 0.00 C ATOM 1108 CD2 LEU A 74 2.564 -13.006 0.761 1.00 0.00 C ATOM 0 H LEU A 74 -0.072 -9.731 1.455 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.444 -10.272 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.524 -11.182 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.535 -10.608 0.517 1.00 0.00 H new ATOM 0 HG LEU A 74 0.493 -12.815 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.733 -14.706 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.412 -13.485 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.229 -13.581 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.624 -14.036 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.243 -12.869 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.847 -12.331 1.569 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.743 -12.331 0.861 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.737 -13.378 1.030 1.00 0.00 C ATOM 1122 C GLU A 75 -4.088 -12.921 0.477 1.00 0.00 C ATOM 1123 O GLU A 75 -4.785 -13.691 -0.183 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.856 -13.789 2.499 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.491 -14.173 3.073 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.532 -15.568 3.700 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.250 -15.714 4.713 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -0.846 -16.457 3.152 1.00 0.00 O ATOM 0 H GLU A 75 -1.281 -12.038 1.722 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.414 -14.254 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.280 -12.968 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.543 -14.630 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.740 -14.147 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.189 -13.442 3.823 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.419 -11.671 0.768 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.674 -11.103 0.308 1.00 0.00 C ATOM 1137 C TRP A 76 -5.644 -11.065 -1.222 1.00 0.00 C ATOM 1138 O TRP A 76 -6.630 -11.407 -1.874 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.916 -9.729 0.935 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.048 -8.936 0.278 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.336 -8.878 0.645 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.941 -8.083 -0.881 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.063 -8.055 -0.190 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.188 -7.556 -1.148 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.827 -7.768 -1.679 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.440 -6.683 -2.212 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.095 -6.894 -2.739 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.344 -6.354 -3.020 1.00 0.00 C ATOM 0 H TRP A 76 -3.839 -11.036 1.317 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.515 -11.720 0.624 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.144 -9.859 1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.996 -9.147 0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.752 -9.409 1.488 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.060 -7.850 -0.118 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.842 -8.169 -1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.426 -6.284 -2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.273 -6.620 -3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.469 -5.684 -3.858 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.503 -10.647 -1.749 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.332 -10.560 -3.189 1.00 0.00 C ATOM 1161 C LEU A 77 -4.815 -11.860 -3.835 1.00 0.00 C ATOM 1162 O LEU A 77 -5.611 -11.834 -4.773 1.00 0.00 O ATOM 1163 CB LEU A 77 -2.886 -10.201 -3.536 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.701 -9.141 -4.624 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -3.781 -9.264 -5.700 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.653 -7.737 -4.018 1.00 0.00 C ATOM 0 H LEU A 77 -3.688 -10.365 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.943 -9.755 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.391 -9.853 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.372 -11.110 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.741 -9.315 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.626 -8.499 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.725 -10.250 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.763 -9.131 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.521 -7.002 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.585 -7.537 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.819 -7.670 -3.320 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.313 -12.968 -3.308 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.683 -14.276 -3.821 1.00 0.00 C ATOM 1180 C GLN A 78 -6.140 -14.589 -3.474 1.00 0.00 C ATOM 1181 O GLN A 78 -6.804 -15.339 -4.188 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.746 -15.360 -3.286 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.331 -15.185 -3.841 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.706 -16.539 -4.186 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -1.424 -16.848 -5.332 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.508 -17.327 -3.133 1.00 0.00 N ATOM 0 H GLN A 78 -3.653 -12.986 -2.531 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.584 -14.261 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.721 -15.319 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.128 -16.343 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.361 -14.557 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.710 -14.670 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.767 -17.006 -2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.097 -18.252 -3.258 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.594 -14.000 -2.378 1.00 0.00 N ATOM 1196 CA ALA A 79 -7.959 -14.207 -1.928 1.00 0.00 C ATOM 1197 C ALA A 79 -8.923 -13.536 -2.909 1.00 0.00 C ATOM 1198 O ALA A 79 -10.048 -13.996 -3.092 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.113 -13.674 -0.502 1.00 0.00 C ATOM 0 H ALA A 79 -6.040 -13.379 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.199 -15.270 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.138 -13.829 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.428 -14.204 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.883 -12.609 -0.485 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.445 -12.458 -3.513 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.250 -11.718 -4.471 1.00 0.00 C ATOM 1207 C GLN A 80 -9.771 -12.656 -5.562 1.00 0.00 C ATOM 1208 O GLN A 80 -9.198 -13.718 -5.798 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.455 -10.560 -5.076 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.076 -9.536 -4.004 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.291 -9.157 -3.154 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.051 -8.258 -3.475 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.430 -9.891 -2.054 1.00 0.00 N ATOM 0 H GLN A 80 -7.511 -12.079 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.105 -11.292 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.553 -10.943 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.046 -10.076 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.294 -9.946 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.666 -8.644 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.757 -10.629 -1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.209 -9.716 -1.419 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.851 -12.228 -6.199 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.455 -13.016 -7.260 1.00 0.00 C ATOM 1224 C LYS A 81 -11.177 -12.346 -8.608 1.00 0.00 C ATOM 1225 O LYS A 81 -11.492 -12.904 -9.658 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.942 -13.241 -6.980 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.609 -13.994 -8.133 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.693 -14.942 -7.614 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.937 -14.890 -8.503 1.00 0.00 C ATOM 1230 NZ LYS A 81 -17.047 -14.208 -7.800 1.00 0.00 N ATOM 0 H LYS A 81 -11.323 -11.346 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.008 -14.009 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.060 -13.806 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.437 -12.281 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.048 -13.282 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.859 -14.561 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.306 -15.961 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.960 -14.671 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.708 -14.364 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.238 -15.901 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.884 -14.181 -8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.276 -14.726 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.762 -13.237 -7.561 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.591 -11.160 -8.534 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.268 -10.409 -9.735 1.00 0.00 C ATOM 1246 C VAL A 82 -9.017 -11.005 -10.383 1.00 0.00 C ATOM 1247 O VAL A 82 -8.298 -11.781 -9.755 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.118 -8.924 -9.398 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.070 -8.713 -8.304 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.776 -8.111 -10.649 1.00 0.00 C ATOM 0 H VAL A 82 -10.332 -10.701 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.077 -10.484 -10.462 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.075 -8.568 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.983 -7.649 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.372 -9.247 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.107 -9.093 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.675 -7.059 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.838 -8.470 -11.071 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.572 -8.224 -11.385 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.795 -10.620 -11.631 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.642 -11.107 -12.370 1.00 0.00 C ATOM 1262 C GLN A 83 -6.683 -9.955 -12.676 1.00 0.00 C ATOM 1263 O GLN A 83 -7.085 -8.940 -13.243 1.00 0.00 O ATOM 1264 CB GLN A 83 -8.075 -11.815 -13.655 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.737 -10.835 -14.626 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.593 -11.576 -15.655 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.101 -12.147 -16.614 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.898 -11.535 -15.403 1.00 0.00 N ATOM 0 H GLN A 83 -9.393 -9.977 -12.149 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.118 -11.835 -11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.209 -12.274 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.770 -12.619 -13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.357 -10.131 -14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.972 -10.251 -15.137 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.243 -11.039 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.554 -12.000 -16.031 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.431 -10.150 -12.286 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.411 -9.141 -12.511 1.00 0.00 C ATOM 1279 C VAL A 84 -3.338 -9.705 -13.445 1.00 0.00 C ATOM 1280 O VAL A 84 -2.623 -10.638 -13.082 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.846 -8.660 -11.173 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.484 -7.334 -10.753 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -4.027 -9.724 -10.088 1.00 0.00 C ATOM 0 H VAL A 84 -5.101 -10.993 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.841 -8.267 -13.000 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.777 -8.491 -11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.065 -7.015 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.281 -6.577 -11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.561 -7.465 -10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.617 -9.357 -9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.088 -9.939 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.505 -10.635 -10.381 1.00 0.00 H new ATOM 1293 N SER A 85 -3.260 -9.116 -14.629 1.00 0.00 N ATOM 1294 CA SER A 85 -2.287 -9.548 -15.617 1.00 0.00 C ATOM 1295 C SER A 85 -0.922 -9.748 -14.955 1.00 0.00 C ATOM 1296 O SER A 85 -0.104 -10.532 -15.435 1.00 0.00 O ATOM 1297 CB SER A 85 -2.179 -8.539 -16.762 1.00 0.00 C ATOM 1298 OG SER A 85 -2.899 -8.962 -17.917 1.00 0.00 O ATOM 0 H SER A 85 -3.855 -8.343 -14.926 1.00 0.00 H new ATOM 0 HA SER A 85 -2.623 -10.497 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.560 -7.573 -16.431 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.130 -8.396 -17.021 1.00 0.00 H new ATOM 0 HG SER A 85 -2.807 -8.290 -18.624 1.00 0.00 H new ATOM 1304 N SER A 86 -0.718 -9.025 -13.863 1.00 0.00 N ATOM 1305 CA SER A 86 0.533 -9.113 -13.131 1.00 0.00 C ATOM 1306 C SER A 86 0.264 -9.051 -11.626 1.00 0.00 C ATOM 1307 O SER A 86 -0.754 -9.553 -11.152 1.00 0.00 O ATOM 1308 CB SER A 86 1.494 -7.997 -13.545 1.00 0.00 C ATOM 1309 OG SER A 86 2.826 -8.250 -13.108 1.00 0.00 O ATOM 0 H SER A 86 -1.399 -8.376 -13.468 1.00 0.00 H new ATOM 0 HA SER A 86 1.003 -10.067 -13.371 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.482 -7.892 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.150 -7.050 -13.130 1.00 0.00 H new ATOM 0 HG SER A 86 3.409 -7.516 -13.393 1.00 0.00 H new ATOM 1315 N GLN A 87 1.194 -8.429 -10.916 1.00 0.00 N ATOM 1316 CA GLN A 87 1.070 -8.294 -9.475 1.00 0.00 C ATOM 1317 C GLN A 87 1.341 -6.849 -9.052 1.00 0.00 C ATOM 1318 O GLN A 87 2.375 -6.280 -9.399 1.00 0.00 O ATOM 1319 CB GLN A 87 2.008 -9.262 -8.751 1.00 0.00 C ATOM 1320 CG GLN A 87 1.303 -9.927 -7.567 1.00 0.00 C ATOM 1321 CD GLN A 87 2.264 -10.831 -6.792 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.370 -11.116 -7.221 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.783 -11.263 -5.630 1.00 0.00 N ATOM 0 H GLN A 87 2.037 -8.013 -11.312 1.00 0.00 H new ATOM 0 HA GLN A 87 0.049 -8.549 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.356 -10.025 -9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.889 -8.725 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.902 -9.162 -6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.457 -10.513 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.848 -10.986 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.349 -11.871 -5.038 1.00 0.00 H new ATOM 1332 N PRO A 88 0.369 -6.282 -8.287 1.00 0.00 N ATOM 1333 CA PRO A 88 0.493 -4.914 -7.813 1.00 0.00 C ATOM 1334 C PRO A 88 1.499 -4.821 -6.664 1.00 0.00 C ATOM 1335 O PRO A 88 1.791 -5.819 -6.008 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.915 -4.511 -7.404 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.685 -5.810 -7.227 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.868 -6.926 -7.856 1.00 0.00 C ATOM 0 HA PRO A 88 0.881 -4.238 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.903 -3.935 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.378 -3.883 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.856 -6.011 -6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.664 -5.741 -7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.670 -7.724 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.394 -7.376 -8.698 1.00 0.00 H new ATOM 1346 N GLU A 89 2.001 -3.613 -6.457 1.00 0.00 N ATOM 1347 CA GLU A 89 2.968 -3.376 -5.398 1.00 0.00 C ATOM 1348 C GLU A 89 2.259 -3.255 -4.048 1.00 0.00 C ATOM 1349 O GLU A 89 1.189 -2.655 -3.957 1.00 0.00 O ATOM 1350 CB GLU A 89 3.807 -2.130 -5.691 1.00 0.00 C ATOM 1351 CG GLU A 89 5.203 -2.513 -6.187 1.00 0.00 C ATOM 1352 CD GLU A 89 5.875 -3.496 -5.227 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.606 -3.378 -4.012 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.643 -4.345 -5.730 1.00 0.00 O ATOM 0 H GLU A 89 1.757 -2.788 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 89 3.646 -4.228 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.306 -1.518 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.891 -1.524 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.131 -2.960 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.817 -1.617 -6.285 1.00 0.00 H new ATOM 1361 N LEU A 90 2.884 -3.834 -3.034 1.00 0.00 N ATOM 1362 CA LEU A 90 2.326 -3.799 -1.692 1.00 0.00 C ATOM 1363 C LEU A 90 3.205 -2.918 -0.802 1.00 0.00 C ATOM 1364 O LEU A 90 4.320 -3.300 -0.453 1.00 0.00 O ATOM 1365 CB LEU A 90 2.133 -5.218 -1.155 1.00 0.00 C ATOM 1366 CG LEU A 90 1.694 -6.269 -2.177 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.351 -7.592 -1.490 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.536 -5.751 -3.033 1.00 0.00 C ATOM 0 H LEU A 90 3.772 -4.330 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 90 1.333 -3.350 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.071 -5.546 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.392 -5.185 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 90 2.530 -6.462 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.042 -8.321 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.228 -7.965 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.539 -7.434 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.243 -6.517 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.312 -5.512 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.851 -4.855 -3.567 1.00 0.00 H new ATOM 1380 N LEU A 91 2.668 -1.756 -0.460 1.00 0.00 N ATOM 1381 CA LEU A 91 3.390 -0.818 0.383 1.00 0.00 C ATOM 1382 C LEU A 91 2.474 -0.345 1.513 1.00 0.00 C ATOM 1383 O LEU A 91 1.255 -0.495 1.433 1.00 0.00 O ATOM 1384 CB LEU A 91 3.968 0.322 -0.458 1.00 0.00 C ATOM 1385 CG LEU A 91 4.127 0.040 -1.953 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.893 1.307 -2.778 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.487 -0.595 -2.250 1.00 0.00 C ATOM 0 H LEU A 91 1.742 -1.443 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 91 4.246 -1.306 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.327 1.195 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.945 0.587 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 91 3.364 -0.681 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.012 1.079 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.884 1.677 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.616 2.069 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.574 -0.785 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.281 0.082 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.576 -1.535 -1.706 1.00 0.00 H new ATOM 1399 N ASP A 92 3.095 0.217 2.540 1.00 0.00 N ATOM 1400 CA ASP A 92 2.350 0.713 3.685 1.00 0.00 C ATOM 1401 C ASP A 92 1.857 2.131 3.391 1.00 0.00 C ATOM 1402 O ASP A 92 2.452 2.845 2.586 1.00 0.00 O ATOM 1403 CB ASP A 92 3.232 0.767 4.933 1.00 0.00 C ATOM 1404 CG ASP A 92 2.472 0.816 6.260 1.00 0.00 C ATOM 1405 OD1 ASP A 92 2.084 1.939 6.651 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.296 -0.269 6.854 1.00 0.00 O ATOM 0 H ASP A 92 4.106 0.340 2.603 1.00 0.00 H new ATOM 0 HA ASP A 92 1.514 0.036 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.884 -0.107 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.875 1.644 4.867 1.00 0.00 H new ATOM 1411 N VAL A 93 0.774 2.497 4.061 1.00 0.00 N ATOM 1412 CA VAL A 93 0.194 3.817 3.883 1.00 0.00 C ATOM 1413 C VAL A 93 1.310 4.864 3.880 1.00 0.00 C ATOM 1414 O VAL A 93 1.214 5.877 3.189 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.863 4.074 4.959 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -2.106 3.214 4.722 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -0.291 3.838 6.358 1.00 0.00 C ATOM 0 H VAL A 93 0.283 1.902 4.728 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.317 3.883 2.922 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.161 5.120 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.842 3.416 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.533 3.453 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.830 2.160 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.063 4.028 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.049 2.806 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.549 4.512 6.526 1.00 0.00 H new ATOM 1427 N SER A 94 2.344 4.582 4.659 1.00 0.00 N ATOM 1428 CA SER A 94 3.477 5.486 4.755 1.00 0.00 C ATOM 1429 C SER A 94 3.895 5.951 3.358 1.00 0.00 C ATOM 1430 O SER A 94 4.422 7.051 3.198 1.00 0.00 O ATOM 1431 CB SER A 94 4.656 4.819 5.467 1.00 0.00 C ATOM 1432 OG SER A 94 5.641 4.356 4.548 1.00 0.00 O ATOM 0 H SER A 94 2.421 3.740 5.230 1.00 0.00 H new ATOM 0 HA SER A 94 3.175 6.352 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.110 5.528 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.293 3.981 6.062 1.00 0.00 H new ATOM 0 HG SER A 94 6.378 3.938 5.041 1.00 0.00 H new ATOM 1438 N TRP A 95 3.643 5.090 2.383 1.00 0.00 N ATOM 1439 CA TRP A 95 3.987 5.399 1.005 1.00 0.00 C ATOM 1440 C TRP A 95 2.992 6.443 0.492 1.00 0.00 C ATOM 1441 O TRP A 95 3.388 7.437 -0.114 1.00 0.00 O ATOM 1442 CB TRP A 95 4.017 4.131 0.150 1.00 0.00 C ATOM 1443 CG TRP A 95 4.484 4.361 -1.289 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.717 4.663 -1.717 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.670 4.294 -2.478 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.757 4.796 -3.090 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.473 4.565 -3.568 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.300 4.015 -2.629 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.998 4.582 -4.885 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.841 4.037 -3.951 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.636 4.307 -5.059 1.00 0.00 C ATOM 0 H TRP A 95 3.205 4.179 2.520 1.00 0.00 H new ATOM 0 HA TRP A 95 4.992 5.816 0.942 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.675 3.402 0.623 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.019 3.694 0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.572 4.787 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.578 5.022 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.653 3.801 -1.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.647 4.796 -5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.795 3.830 -4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.205 4.305 -6.049 1.00 0.00 H new ATOM 1462 N LEU A 96 1.720 6.180 0.755 1.00 0.00 N ATOM 1463 CA LEU A 96 0.666 7.084 0.328 1.00 0.00 C ATOM 1464 C LEU A 96 0.858 8.442 1.006 1.00 0.00 C ATOM 1465 O LEU A 96 0.887 9.475 0.339 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.708 6.461 0.578 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.860 7.018 -0.261 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.431 7.221 -1.716 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.100 6.128 -0.149 1.00 0.00 C ATOM 0 H LEU A 96 1.396 5.354 1.258 1.00 0.00 H new ATOM 0 HA LEU A 96 0.723 7.254 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.637 5.389 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.957 6.589 1.631 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.129 7.997 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.268 7.618 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.599 7.924 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.120 6.266 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.904 6.546 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.862 5.126 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.419 6.077 0.892 1.00 0.00 H new ATOM 1481 N ILE A 97 0.985 8.396 2.324 1.00 0.00 N ATOM 1482 CA ILE A 97 1.174 9.610 3.100 1.00 0.00 C ATOM 1483 C ILE A 97 2.278 10.454 2.460 1.00 0.00 C ATOM 1484 O ILE A 97 2.183 11.679 2.418 1.00 0.00 O ATOM 1485 CB ILE A 97 1.434 9.271 4.570 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.206 8.616 5.206 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.890 10.509 5.345 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.615 7.664 6.332 1.00 0.00 C ATOM 0 H ILE A 97 0.961 7.537 2.874 1.00 0.00 H new ATOM 0 HA ILE A 97 0.266 10.213 3.091 1.00 0.00 H new ATOM 0 HB ILE A 97 2.246 8.545 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.459 9.385 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.353 8.069 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.068 10.241 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.811 10.894 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.116 11.275 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.276 7.212 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.260 6.882 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.153 8.219 7.101 1.00 0.00 H new ATOM 1500 N GLU A 98 3.301 9.764 1.976 1.00 0.00 N ATOM 1501 CA GLU A 98 4.421 10.434 1.339 1.00 0.00 C ATOM 1502 C GLU A 98 4.073 10.794 -0.106 1.00 0.00 C ATOM 1503 O GLU A 98 4.241 11.940 -0.522 1.00 0.00 O ATOM 1504 CB GLU A 98 5.683 9.571 1.400 1.00 0.00 C ATOM 1505 CG GLU A 98 6.234 9.504 2.826 1.00 0.00 C ATOM 1506 CD GLU A 98 7.719 9.871 2.858 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.477 9.234 2.095 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.062 10.780 3.644 1.00 0.00 O ATOM 0 H GLU A 98 3.377 8.747 2.013 1.00 0.00 H new ATOM 0 HA GLU A 98 4.624 11.356 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.457 8.565 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.441 9.981 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.674 10.184 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.095 8.500 3.226 1.00 0.00 H new ATOM 1515 N CYS A 99 3.593 9.795 -0.832 1.00 0.00 N ATOM 1516 CA CYS A 99 3.220 9.993 -2.223 1.00 0.00 C ATOM 1517 C CYS A 99 2.352 11.249 -2.313 1.00 0.00 C ATOM 1518 O CYS A 99 2.402 11.972 -3.307 1.00 0.00 O ATOM 1519 CB CYS A 99 2.509 8.766 -2.797 1.00 0.00 C ATOM 1520 SG CYS A 99 3.726 7.447 -3.153 1.00 0.00 S ATOM 0 H CYS A 99 3.454 8.846 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 99 4.117 10.128 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.764 8.403 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.977 9.037 -3.709 1.00 0.00 H new ATOM 0 HG CYS A 99 3.180 6.285 -2.947 1.00 0.00 H new ATOM 1526 N ILE A 100 1.577 11.471 -1.262 1.00 0.00 N ATOM 1527 CA ILE A 100 0.699 12.628 -1.210 1.00 0.00 C ATOM 1528 C ILE A 100 1.539 13.892 -1.013 1.00 0.00 C ATOM 1529 O ILE A 100 1.634 14.725 -1.913 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.380 12.435 -0.143 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.331 11.298 -0.524 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.128 13.743 0.124 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.220 10.908 0.658 1.00 0.00 C ATOM 0 H ILE A 100 1.539 10.869 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 100 0.165 12.743 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 100 0.108 12.148 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.952 11.605 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.756 10.432 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.889 13.578 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.425 14.500 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.603 14.084 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.886 10.098 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.596 10.578 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.812 11.769 0.968 1.00 0.00 H new ATOM 1545 N GLY A 101 2.128 13.994 0.169 1.00 0.00 N ATOM 1546 CA GLY A 101 2.957 15.142 0.496 1.00 0.00 C ATOM 1547 C GLY A 101 4.062 15.334 -0.545 1.00 0.00 C ATOM 1548 O GLY A 101 4.659 16.405 -0.631 1.00 0.00 O ATOM 0 H GLY A 101 2.048 13.300 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.339 16.039 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.401 15.006 1.482 1.00 0.00 H new ATOM 1552 N ALA A 102 4.301 14.278 -1.309 1.00 0.00 N ATOM 1553 CA ALA A 102 5.324 14.316 -2.340 1.00 0.00 C ATOM 1554 C ALA A 102 4.668 14.598 -3.693 1.00 0.00 C ATOM 1555 O ALA A 102 5.343 14.987 -4.645 1.00 0.00 O ATOM 1556 CB ALA A 102 6.105 13.001 -2.333 1.00 0.00 C ATOM 0 H ALA A 102 3.804 13.391 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 102 6.036 15.118 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.872 13.030 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.576 12.863 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.424 12.172 -2.528 1.00 0.00 H new ATOM 1562 N GLY A 103 3.360 14.389 -3.735 1.00 0.00 N ATOM 1563 CA GLY A 103 2.605 14.616 -4.956 1.00 0.00 C ATOM 1564 C GLY A 103 3.145 13.757 -6.102 1.00 0.00 C ATOM 1565 O GLY A 103 2.837 14.004 -7.266 1.00 0.00 O ATOM 0 H GLY A 103 2.804 14.065 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.554 14.383 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.658 15.670 -5.230 1.00 0.00 H new ATOM 1569 N LYS A 104 3.942 12.766 -5.731 1.00 0.00 N ATOM 1570 CA LYS A 104 4.527 11.869 -6.713 1.00 0.00 C ATOM 1571 C LYS A 104 4.754 10.497 -6.074 1.00 0.00 C ATOM 1572 O LYS A 104 4.740 10.369 -4.850 1.00 0.00 O ATOM 1573 CB LYS A 104 5.793 12.484 -7.313 1.00 0.00 C ATOM 1574 CG LYS A 104 6.985 12.319 -6.368 1.00 0.00 C ATOM 1575 CD LYS A 104 8.306 12.378 -7.137 1.00 0.00 C ATOM 1576 CE LYS A 104 9.499 12.365 -6.179 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.566 13.267 -6.667 1.00 0.00 N ATOM 0 H LYS A 104 4.196 12.564 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 104 3.843 11.723 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.014 12.009 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.627 13.543 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.965 13.103 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.908 11.367 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.373 11.530 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.335 13.280 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.178 12.676 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.887 11.351 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.368 13.246 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.884 12.953 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.197 14.237 -6.733 1.00 0.00 H new ATOM 1591 N PRO A 105 4.964 9.481 -6.953 1.00 0.00 N ATOM 1592 CA PRO A 105 5.194 8.124 -6.487 1.00 0.00 C ATOM 1593 C PRO A 105 6.606 7.971 -5.919 1.00 0.00 C ATOM 1594 O PRO A 105 7.508 7.497 -6.609 1.00 0.00 O ATOM 1595 CB PRO A 105 4.942 7.244 -7.700 1.00 0.00 C ATOM 1596 CG PRO A 105 5.037 8.162 -8.908 1.00 0.00 C ATOM 1597 CD PRO A 105 4.988 9.596 -8.408 1.00 0.00 C ATOM 0 HA PRO A 105 4.535 7.844 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.678 6.442 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.961 6.773 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.962 7.980 -9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.216 7.970 -9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.855 10.163 -8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.104 10.115 -8.779 1.00 0.00 H new ATOM 1605 N VAL A 106 6.755 8.381 -4.668 1.00 0.00 N ATOM 1606 CA VAL A 106 8.042 8.295 -4.000 1.00 0.00 C ATOM 1607 C VAL A 106 8.707 6.962 -4.352 1.00 0.00 C ATOM 1608 O VAL A 106 8.037 6.027 -4.789 1.00 0.00 O ATOM 1609 CB VAL A 106 7.864 8.495 -2.493 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.493 9.944 -2.173 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.824 7.525 -1.930 1.00 0.00 C ATOM 0 H VAL A 106 6.005 8.774 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 106 8.704 9.089 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 106 8.818 8.279 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.372 10.059 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.284 10.608 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.558 10.199 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.717 7.688 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.865 7.694 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.147 6.500 -2.110 1.00 0.00 H new ATOM 1621 N GLU A 107 10.015 6.918 -4.148 1.00 0.00 N ATOM 1622 CA GLU A 107 10.777 5.715 -4.438 1.00 0.00 C ATOM 1623 C GLU A 107 10.625 4.703 -3.300 1.00 0.00 C ATOM 1624 O GLU A 107 10.505 5.085 -2.137 1.00 0.00 O ATOM 1625 CB GLU A 107 12.251 6.046 -4.684 1.00 0.00 C ATOM 1626 CG GLU A 107 13.029 6.096 -3.368 1.00 0.00 C ATOM 1627 CD GLU A 107 14.040 7.244 -3.372 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.586 8.401 -3.511 1.00 0.00 O ATOM 1629 OE2 GLU A 107 15.245 6.940 -3.236 1.00 0.00 O ATOM 0 H GLU A 107 10.567 7.696 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 107 10.381 5.269 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.691 5.297 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.332 7.006 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.336 6.220 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.548 5.150 -3.212 1.00 0.00 H new ATOM 1636 N MET A 108 10.636 3.433 -3.676 1.00 0.00 N ATOM 1637 CA MET A 108 10.501 2.363 -2.702 1.00 0.00 C ATOM 1638 C MET A 108 11.864 1.966 -2.132 1.00 0.00 C ATOM 1639 O MET A 108 12.696 1.399 -2.839 1.00 0.00 O ATOM 1640 CB MET A 108 9.851 1.147 -3.366 1.00 0.00 C ATOM 1641 CG MET A 108 8.328 1.283 -3.386 1.00 0.00 C ATOM 1642 SD MET A 108 7.645 0.306 -4.715 1.00 0.00 S ATOM 1643 CE MET A 108 6.724 1.565 -5.583 1.00 0.00 C ATOM 0 H MET A 108 10.736 3.121 -4.642 1.00 0.00 H new ATOM 0 HA MET A 108 9.875 2.719 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.224 1.042 -4.385 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.132 0.241 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.913 0.956 -2.433 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.050 2.329 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.230 1.123 -6.449 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.974 1.992 -4.917 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.404 2.350 -5.914 1.00 0.00 H new ATOM 1653 N THR A 109 12.051 2.279 -0.858 1.00 0.00 N ATOM 1654 CA THR A 109 13.299 1.962 -0.184 1.00 0.00 C ATOM 1655 C THR A 109 13.056 0.955 0.942 1.00 0.00 C ATOM 1656 O THR A 109 13.708 1.014 1.983 1.00 0.00 O ATOM 1657 CB THR A 109 13.922 3.274 0.298 1.00 0.00 C ATOM 1658 OG1 THR A 109 13.104 3.664 1.397 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.754 4.409 -0.714 1.00 0.00 C ATOM 0 H THR A 109 11.359 2.749 -0.275 1.00 0.00 H new ATOM 0 HA THR A 109 14.004 1.480 -0.862 1.00 0.00 H new ATOM 0 HB THR A 109 14.983 3.120 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.833 4.599 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.214 5.317 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.236 4.134 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.693 4.586 -0.889 1.00 0.00 H new ATOM 1667 N GLY A 110 12.116 0.055 0.694 1.00 0.00 N ATOM 1668 CA GLY A 110 11.779 -0.964 1.674 1.00 0.00 C ATOM 1669 C GLY A 110 10.693 -0.466 2.631 1.00 0.00 C ATOM 1670 O GLY A 110 9.594 -1.019 2.669 1.00 0.00 O ATOM 0 H GLY A 110 11.577 0.010 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.435 -1.864 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.669 -1.238 2.240 1.00 0.00 H new ATOM 1674 N LYS A 111 11.038 0.571 3.379 1.00 0.00 N ATOM 1675 CA LYS A 111 10.106 1.148 4.333 1.00 0.00 C ATOM 1676 C LYS A 111 8.708 1.187 3.714 1.00 0.00 C ATOM 1677 O LYS A 111 7.755 0.662 4.289 1.00 0.00 O ATOM 1678 CB LYS A 111 10.605 2.514 4.810 1.00 0.00 C ATOM 1679 CG LYS A 111 10.805 3.467 3.630 1.00 0.00 C ATOM 1680 CD LYS A 111 11.596 4.707 4.054 1.00 0.00 C ATOM 1681 CE LYS A 111 10.756 5.975 3.891 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.317 6.835 2.826 1.00 0.00 N ATOM 0 H LYS A 111 11.950 1.027 3.344 1.00 0.00 H new ATOM 0 HA LYS A 111 10.042 0.527 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.888 2.943 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.545 2.394 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.332 2.952 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.836 3.768 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.909 4.605 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.502 4.787 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.728 5.708 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.728 6.523 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.545 7.770 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.181 6.399 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.619 6.941 2.062 1.00 0.00 H new ATOM 1696 N HIS A 112 8.628 1.813 2.548 1.00 0.00 N ATOM 1697 CA HIS A 112 7.362 1.926 1.845 1.00 0.00 C ATOM 1698 C HIS A 112 6.739 0.538 1.682 1.00 0.00 C ATOM 1699 O HIS A 112 5.575 0.332 2.023 1.00 0.00 O ATOM 1700 CB HIS A 112 7.545 2.654 0.512 1.00 0.00 C ATOM 1701 CG HIS A 112 8.093 4.055 0.647 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.759 4.701 -0.379 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.066 4.925 1.697 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.114 5.905 0.045 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.684 6.042 1.332 1.00 0.00 N ATOM 0 H HIS A 112 9.420 2.247 2.073 1.00 0.00 H new ATOM 0 HA HIS A 112 6.669 2.530 2.431 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.216 2.072 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.584 2.699 -0.001 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.945 4.316 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.618 4.737 2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.650 6.647 -0.528 1.00 0.00 H new ATOM 1713 N GLN A 113 7.542 -0.378 1.161 1.00 0.00 N ATOM 1714 CA GLN A 113 7.084 -1.740 0.948 1.00 0.00 C ATOM 1715 C GLN A 113 6.668 -2.374 2.277 1.00 0.00 C ATOM 1716 O GLN A 113 7.126 -1.955 3.339 1.00 0.00 O ATOM 1717 CB GLN A 113 8.160 -2.578 0.255 1.00 0.00 C ATOM 1718 CG GLN A 113 8.633 -1.905 -1.035 1.00 0.00 C ATOM 1719 CD GLN A 113 8.046 -2.601 -2.265 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.181 -3.457 -2.172 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.564 -2.189 -3.418 1.00 0.00 N ATOM 0 H GLN A 113 8.507 -0.204 0.880 1.00 0.00 H new ATOM 0 HA GLN A 113 6.213 -1.711 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.006 -2.718 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.765 -3.568 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.338 -0.856 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.722 -1.930 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.286 -1.468 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.240 -2.594 -4.296 1.00 0.00 H new ATOM 1730 N LEU A 114 5.803 -3.373 2.175 1.00 0.00 N ATOM 1731 CA LEU A 114 5.320 -4.068 3.356 1.00 0.00 C ATOM 1732 C LEU A 114 6.206 -5.286 3.623 1.00 0.00 C ATOM 1733 O LEU A 114 6.879 -5.356 4.651 1.00 0.00 O ATOM 1734 CB LEU A 114 3.836 -4.407 3.208 1.00 0.00 C ATOM 1735 CG LEU A 114 2.905 -3.230 2.912 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.926 -3.574 1.788 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.183 -2.769 4.180 1.00 0.00 C ATOM 0 H LEU A 114 5.424 -3.717 1.293 1.00 0.00 H new ATOM 0 HA LEU A 114 5.390 -3.424 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.729 -5.139 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.500 -4.888 4.127 1.00 0.00 H new ATOM 0 HG LEU A 114 3.512 -2.394 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.276 -2.720 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.482 -3.815 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.321 -4.432 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.528 -1.931 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.590 -3.591 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.917 -2.456 4.923 1.00 0.00 H new ATOM 1749 N SER A 115 6.176 -6.217 2.681 1.00 0.00 N ATOM 1750 CA SER A 115 6.968 -7.430 2.802 1.00 0.00 C ATOM 1751 C SER A 115 6.757 -8.317 1.574 1.00 0.00 C ATOM 1752 O SER A 115 5.987 -7.971 0.679 1.00 0.00 O ATOM 1753 CB SER A 115 6.612 -8.195 4.078 1.00 0.00 C ATOM 1754 OG SER A 115 5.742 -9.293 3.816 1.00 0.00 O ATOM 0 H SER A 115 5.616 -6.156 1.831 1.00 0.00 H new ATOM 0 HA SER A 115 8.019 -7.148 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 115 7.525 -8.560 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 115 6.137 -7.517 4.787 1.00 0.00 H new ATOM 0 HG SER A 115 5.539 -9.757 4.655 1.00 0.00 H new ATOM 1760 N GLY A 116 7.454 -9.444 1.571 1.00 0.00 N ATOM 1761 CA GLY A 116 7.352 -10.384 0.467 1.00 0.00 C ATOM 1762 C GLY A 116 7.752 -11.793 0.908 1.00 0.00 C ATOM 1763 O GLY A 116 8.034 -12.023 2.084 1.00 0.00 O ATOM 0 H GLY A 116 8.091 -9.727 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.331 -10.394 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.994 -10.060 -0.352 1.00 0.00 H new ATOM 1767 N PRO A 117 7.765 -12.724 -0.083 1.00 0.00 N ATOM 1768 CA PRO A 117 8.127 -14.104 0.191 1.00 0.00 C ATOM 1769 C PRO A 117 9.637 -14.246 0.392 1.00 0.00 C ATOM 1770 O PRO A 117 10.390 -14.330 -0.577 1.00 0.00 O ATOM 1771 CB PRO A 117 7.610 -14.891 -1.003 1.00 0.00 C ATOM 1772 CG PRO A 117 7.394 -13.873 -2.111 1.00 0.00 C ATOM 1773 CD PRO A 117 7.438 -12.488 -1.486 1.00 0.00 C ATOM 0 HA PRO A 117 7.690 -14.477 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 117 8.326 -15.654 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 117 6.681 -15.406 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 117 8.165 -13.972 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 117 6.435 -14.040 -2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.188 -11.860 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.481 -11.977 -1.589 1.00 0.00 H new ATOM 1781 N SER A 118 10.034 -14.269 1.655 1.00 0.00 N ATOM 1782 CA SER A 118 11.441 -14.400 1.996 1.00 0.00 C ATOM 1783 C SER A 118 11.610 -15.390 3.149 1.00 0.00 C ATOM 1784 O SER A 118 12.344 -16.370 3.028 1.00 0.00 O ATOM 1785 CB SER A 118 12.046 -13.045 2.366 1.00 0.00 C ATOM 1786 OG SER A 118 13.280 -12.809 1.694 1.00 0.00 O ATOM 0 H SER A 118 9.406 -14.199 2.456 1.00 0.00 H new ATOM 0 HA SER A 118 11.971 -14.777 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.340 -12.253 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.206 -13.002 3.443 1.00 0.00 H new ATOM 0 HG SER A 118 13.633 -11.933 1.956 1.00 0.00 H new ATOM 1792 N SER A 119 10.920 -15.100 4.242 1.00 0.00 N ATOM 1793 CA SER A 119 10.985 -15.953 5.417 1.00 0.00 C ATOM 1794 C SER A 119 9.575 -16.221 5.948 1.00 0.00 C ATOM 1795 O SER A 119 8.660 -15.433 5.714 1.00 0.00 O ATOM 1796 CB SER A 119 11.852 -15.322 6.508 1.00 0.00 C ATOM 1797 OG SER A 119 13.242 -15.416 6.207 1.00 0.00 O ATOM 0 H SER A 119 10.313 -14.286 4.339 1.00 0.00 H new ATOM 0 HA SER A 119 11.443 -16.899 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.577 -14.274 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.653 -15.815 7.460 1.00 0.00 H new ATOM 0 HG SER A 119 13.761 -15.000 6.927 1.00 0.00 H new ATOM 1803 N GLY A 120 9.445 -17.335 6.653 1.00 0.00 N ATOM 1804 CA GLY A 120 8.162 -17.716 7.219 1.00 0.00 C ATOM 1805 C GLY A 120 8.104 -19.223 7.481 1.00 0.00 C ATOM 1806 O GLY A 120 8.162 -20.021 6.547 1.00 0.00 O ATOM 0 H GLY A 120 10.207 -17.986 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.996 -17.175 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.361 -17.431 6.537 1.00 0.00 H new TER 1810 GLY A 120