USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 78 GLN : amide:sc= 0.252 K(o=-1.5,f=-2.1) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -1.7 K(o=-1.5,f=-3.1) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= -0.256 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl 169:sc= -3.08! (180deg=-2.59) USER MOD Set 3.2: A 51 GLN : amide:sc= -2.18 K(o=-5.3,f=-8.4!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -161:sc= 0.534 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -3.59! C(o=-3.1!,f=-7.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.502 F(o=-1.6!,f=-0.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.751) USER MOD Single : A 31 TYR OH : rot -163:sc= 1.28 USER MOD Single : A 44 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-9!) USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= -0.0155 (180deg=-0.791) USER MOD Single : A 49 ASN : amide:sc=-0.000362 X(o=-0.00036,f=-0.00036) USER MOD Single : A 50 MET CE :methyl -143:sc= -1.99 (180deg=-4.32!) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0.803 (180deg=0.696) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.4) USER MOD Single : A 80 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.8) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc=-0.00945 (180deg=-0.00945) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.882 20.944 13.465 1.00 0.00 N ATOM 21 CA PHE A 2 -30.156 19.905 12.725 1.00 0.00 C ATOM 22 C PHE A 2 -29.848 18.695 13.614 1.00 0.00 C ATOM 23 O PHE A 2 -30.424 17.632 13.409 1.00 0.00 O ATOM 24 CB PHE A 2 -28.874 20.487 12.096 1.00 0.00 C ATOM 25 CG PHE A 2 -29.032 21.857 11.464 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.499 21.990 10.141 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.727 23.007 12.218 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.670 23.271 9.585 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.892 24.285 11.659 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.370 24.418 10.345 1.00 0.00 C ATOM 0 HA PHE A 2 -30.798 19.552 11.918 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.105 20.546 12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.513 19.793 11.337 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.725 21.111 9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.365 22.906 13.230 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.032 23.375 8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.652 25.164 12.239 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.508 25.400 9.917 1.00 0.00 H new ATOM 40 N THR A 3 -29.011 18.913 14.637 1.00 0.00 N ATOM 41 CA THR A 3 -28.688 18.021 15.748 1.00 0.00 C ATOM 42 C THR A 3 -28.089 16.665 15.329 1.00 0.00 C ATOM 43 O THR A 3 -28.803 15.773 14.874 1.00 0.00 O ATOM 44 CB THR A 3 -29.909 17.817 16.647 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.636 19.016 16.844 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.492 17.254 18.013 1.00 0.00 C ATOM 0 H THR A 3 -28.502 19.794 14.711 1.00 0.00 H new ATOM 0 HA THR A 3 -27.899 18.526 16.305 1.00 0.00 H new ATOM 0 HB THR A 3 -30.555 17.104 16.134 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.407 18.840 17.422 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.376 17.117 18.635 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.994 16.295 17.874 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.809 17.950 18.500 1.00 0.00 H new ATOM 54 N ILE A 4 -26.773 16.493 15.509 1.00 0.00 N ATOM 55 CA ILE A 4 -26.029 15.361 14.967 1.00 0.00 C ATOM 56 C ILE A 4 -25.636 14.425 16.115 1.00 0.00 C ATOM 57 O ILE A 4 -24.560 14.533 16.691 1.00 0.00 O ATOM 58 CB ILE A 4 -24.849 15.793 14.062 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.725 17.285 13.689 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.831 14.932 12.796 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.876 17.877 12.861 1.00 0.00 C ATOM 0 H ILE A 4 -26.195 17.144 16.040 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.672 14.800 14.289 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.976 15.629 14.693 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.634 17.861 14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.797 17.423 13.133 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.000 15.237 12.160 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.712 13.884 13.070 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.768 15.061 12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.677 18.930 12.661 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.960 17.338 11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.809 17.784 13.416 1.00 0.00 H new ATOM 73 N ASN A 5 -26.546 13.526 16.493 1.00 0.00 N ATOM 74 CA ASN A 5 -26.430 12.701 17.692 1.00 0.00 C ATOM 75 C ASN A 5 -25.211 11.769 17.590 1.00 0.00 C ATOM 76 O ASN A 5 -25.266 10.762 16.883 1.00 0.00 O ATOM 77 CB ASN A 5 -27.747 11.940 17.934 1.00 0.00 C ATOM 78 CG ASN A 5 -28.977 12.793 17.618 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.398 13.652 18.540 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.500 12.724 16.509 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.399 13.349 15.963 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.261 13.337 18.561 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.763 11.041 17.318 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.790 11.615 18.973 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.154 12.054 15.823 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.281 13.337 16.274 1.00 0.00 H new ATOM 87 N ALA A 6 -24.101 12.127 18.247 1.00 0.00 N ATOM 88 CA ALA A 6 -22.852 11.373 18.211 1.00 0.00 C ATOM 89 C ALA A 6 -22.693 10.631 19.544 1.00 0.00 C ATOM 90 O ALA A 6 -23.663 10.411 20.270 1.00 0.00 O ATOM 91 CB ALA A 6 -21.669 12.306 17.862 1.00 0.00 C ATOM 0 H ALA A 6 -24.050 12.964 18.827 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.867 10.621 17.422 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.745 11.729 17.839 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.838 12.759 16.885 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.589 13.089 18.616 1.00 0.00 H new ATOM 97 N GLU A 7 -21.465 10.233 19.861 1.00 0.00 N ATOM 98 CA GLU A 7 -21.018 9.754 21.159 1.00 0.00 C ATOM 99 C GLU A 7 -19.501 9.957 21.177 1.00 0.00 C ATOM 100 O GLU A 7 -18.836 9.763 20.164 1.00 0.00 O ATOM 101 CB GLU A 7 -21.440 8.288 21.379 1.00 0.00 C ATOM 102 CG GLU A 7 -20.844 7.333 20.338 1.00 0.00 C ATOM 103 CD GLU A 7 -21.576 5.987 20.273 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.444 5.213 21.245 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.264 5.746 19.251 1.00 0.00 O ATOM 0 H GLU A 7 -20.711 10.238 19.174 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.476 10.300 21.984 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.130 7.971 22.375 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.527 8.219 21.347 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.878 7.807 19.357 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.794 7.159 20.572 1.00 0.00 H new ATOM 112 N VAL A 8 -18.949 10.409 22.300 1.00 0.00 N ATOM 113 CA VAL A 8 -17.526 10.723 22.420 1.00 0.00 C ATOM 114 C VAL A 8 -16.678 9.476 22.221 1.00 0.00 C ATOM 115 O VAL A 8 -16.971 8.425 22.792 1.00 0.00 O ATOM 116 CB VAL A 8 -17.242 11.379 23.783 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.713 12.828 23.757 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.916 10.668 24.962 1.00 0.00 C ATOM 0 H VAL A 8 -19.478 10.569 23.157 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.257 11.431 21.637 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.165 11.309 23.937 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.512 13.293 24.722 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.181 13.370 22.975 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.784 12.859 23.555 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.670 11.187 25.888 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.997 10.672 24.820 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.561 9.639 25.017 1.00 0.00 H new ATOM 128 N ARG A 9 -15.612 9.620 21.425 1.00 0.00 N ATOM 129 CA ARG A 9 -14.643 8.537 21.245 1.00 0.00 C ATOM 130 C ARG A 9 -13.201 8.977 21.450 1.00 0.00 C ATOM 131 O ARG A 9 -12.834 10.102 21.132 1.00 0.00 O ATOM 132 CB ARG A 9 -14.853 7.794 19.918 1.00 0.00 C ATOM 133 CG ARG A 9 -15.309 8.587 18.688 1.00 0.00 C ATOM 134 CD ARG A 9 -14.308 9.568 18.090 1.00 0.00 C ATOM 135 NE ARG A 9 -13.253 8.840 17.390 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.636 9.137 16.236 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.691 10.342 15.654 1.00 0.00 N ATOM 138 NH2 ARG A 9 -11.931 8.166 15.665 1.00 0.00 N ATOM 0 H ARG A 9 -15.401 10.469 20.900 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.839 7.821 22.043 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.914 7.303 19.663 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.587 7.007 20.093 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.592 7.876 17.912 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.208 9.141 18.956 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.815 10.243 17.400 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.875 10.184 18.878 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.940 7.982 17.844 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.224 11.095 16.089 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.200 10.507 14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.878 7.247 16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.442 8.339 14.787 1.00 0.00 H new ATOM 152 N LYS A 10 -12.378 8.047 21.946 1.00 0.00 N ATOM 153 CA LYS A 10 -10.933 8.162 22.130 1.00 0.00 C ATOM 154 C LYS A 10 -10.163 6.982 21.504 1.00 0.00 C ATOM 155 O LYS A 10 -8.936 6.978 21.484 1.00 0.00 O ATOM 156 CB LYS A 10 -10.608 8.387 23.609 1.00 0.00 C ATOM 157 CG LYS A 10 -10.951 9.816 24.079 1.00 0.00 C ATOM 158 CD LYS A 10 -10.014 10.917 23.534 1.00 0.00 C ATOM 159 CE LYS A 10 -10.521 11.648 22.276 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.445 12.454 21.655 1.00 0.00 N ATOM 0 H LYS A 10 -12.728 7.138 22.248 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.584 9.039 21.584 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.161 7.667 24.213 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.548 8.197 23.778 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.973 10.047 23.779 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.925 9.842 25.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.849 11.653 24.321 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.046 10.469 23.309 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.896 10.921 21.556 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.357 12.295 22.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.865 13.169 21.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.892 12.927 22.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.821 11.833 21.102 1.00 0.00 H new ATOM 174 N GLU A 11 -10.884 6.022 20.921 1.00 0.00 N ATOM 175 CA GLU A 11 -10.404 4.869 20.150 1.00 0.00 C ATOM 176 C GLU A 11 -9.865 5.220 18.744 1.00 0.00 C ATOM 177 O GLU A 11 -9.683 4.326 17.915 1.00 0.00 O ATOM 178 CB GLU A 11 -11.503 3.771 20.086 1.00 0.00 C ATOM 179 CG GLU A 11 -12.965 4.232 20.257 1.00 0.00 C ATOM 180 CD GLU A 11 -13.446 4.315 21.710 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.931 3.284 22.228 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.361 5.432 22.265 1.00 0.00 O ATOM 0 H GLU A 11 -11.902 6.030 20.980 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.538 4.482 20.687 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.418 3.263 19.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.289 3.032 20.858 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.079 5.213 19.795 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.614 3.546 19.713 1.00 0.00 H new ATOM 189 N GLN A 12 -9.603 6.502 18.454 1.00 0.00 N ATOM 190 CA GLN A 12 -9.155 6.982 17.138 1.00 0.00 C ATOM 191 C GLN A 12 -7.942 6.250 16.570 1.00 0.00 C ATOM 192 O GLN A 12 -7.854 6.112 15.355 1.00 0.00 O ATOM 193 CB GLN A 12 -8.831 8.484 17.133 1.00 0.00 C ATOM 194 CG GLN A 12 -8.144 9.058 18.373 1.00 0.00 C ATOM 195 CD GLN A 12 -9.100 9.550 19.467 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.656 9.914 20.548 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.420 9.576 19.236 1.00 0.00 N ATOM 0 H GLN A 12 -9.698 7.250 19.141 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.014 6.772 16.501 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.197 8.689 16.271 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.762 9.029 16.981 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.492 8.294 18.796 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.506 9.887 18.067 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.786 9.272 18.334 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.059 9.900 19.962 1.00 0.00 H new ATOM 206 N GLY A 13 -7.054 5.785 17.453 1.00 0.00 N ATOM 207 CA GLY A 13 -5.753 5.193 17.147 1.00 0.00 C ATOM 208 C GLY A 13 -5.745 4.061 16.107 1.00 0.00 C ATOM 209 O GLY A 13 -4.669 3.750 15.608 1.00 0.00 O ATOM 0 H GLY A 13 -7.236 5.814 18.456 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.092 5.985 16.795 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.326 4.809 18.073 1.00 0.00 H new ATOM 213 N LYS A 14 -6.916 3.491 15.776 1.00 0.00 N ATOM 214 CA LYS A 14 -7.307 2.718 14.583 1.00 0.00 C ATOM 215 C LYS A 14 -8.634 2.009 14.840 1.00 0.00 C ATOM 216 O LYS A 14 -9.422 1.859 13.907 1.00 0.00 O ATOM 217 CB LYS A 14 -6.271 1.679 14.107 1.00 0.00 C ATOM 218 CG LYS A 14 -5.739 1.852 12.682 1.00 0.00 C ATOM 219 CD LYS A 14 -6.759 1.596 11.564 1.00 0.00 C ATOM 220 CE LYS A 14 -6.057 1.021 10.321 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.205 1.995 9.613 1.00 0.00 N ATOM 0 H LYS A 14 -7.707 3.571 16.415 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.388 3.453 13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.424 1.702 14.793 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.719 0.689 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.356 2.867 12.576 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.895 1.176 12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.523 0.901 11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.267 2.525 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.446 0.170 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.812 0.644 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.766 1.537 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.785 2.797 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.462 2.338 10.255 1.00 0.00 H new ATOM 235 N GLY A 15 -8.875 1.567 16.086 1.00 0.00 N ATOM 236 CA GLY A 15 -9.992 0.705 16.455 1.00 0.00 C ATOM 237 C GLY A 15 -11.350 1.336 16.148 1.00 0.00 C ATOM 238 O GLY A 15 -12.235 0.661 15.620 1.00 0.00 O ATOM 0 H GLY A 15 -8.279 1.810 16.878 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.907 -0.242 15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.934 0.477 17.519 1.00 0.00 H new ATOM 242 N ALA A 16 -11.506 2.635 16.431 1.00 0.00 N ATOM 243 CA ALA A 16 -12.689 3.399 16.068 1.00 0.00 C ATOM 244 C ALA A 16 -12.849 3.492 14.561 1.00 0.00 C ATOM 245 O ALA A 16 -13.926 3.233 14.039 1.00 0.00 O ATOM 246 CB ALA A 16 -12.643 4.781 16.687 1.00 0.00 C ATOM 0 H ALA A 16 -10.802 3.184 16.924 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.558 2.872 16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.537 5.337 16.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.600 4.692 17.773 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.759 5.310 16.331 1.00 0.00 H new ATOM 252 N SER A 17 -11.779 3.834 13.854 1.00 0.00 N ATOM 253 CA SER A 17 -11.851 4.109 12.416 1.00 0.00 C ATOM 254 C SER A 17 -12.453 2.921 11.645 1.00 0.00 C ATOM 255 O SER A 17 -13.227 3.111 10.703 1.00 0.00 O ATOM 256 CB SER A 17 -10.457 4.485 11.901 1.00 0.00 C ATOM 257 OG SER A 17 -9.965 5.569 12.661 1.00 0.00 O ATOM 0 H SER A 17 -10.844 3.929 14.251 1.00 0.00 H new ATOM 0 HA SER A 17 -12.521 4.952 12.246 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.783 3.632 11.981 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.505 4.755 10.846 1.00 0.00 H new ATOM 0 HG SER A 17 -9.073 5.815 12.340 1.00 0.00 H new ATOM 263 N ARG A 18 -12.176 1.698 12.118 1.00 0.00 N ATOM 264 CA ARG A 18 -12.609 0.447 11.522 1.00 0.00 C ATOM 265 C ARG A 18 -13.931 -0.048 12.105 1.00 0.00 C ATOM 266 O ARG A 18 -14.705 -0.590 11.327 1.00 0.00 O ATOM 267 CB ARG A 18 -11.476 -0.600 11.559 1.00 0.00 C ATOM 268 CG ARG A 18 -10.889 -0.990 12.933 1.00 0.00 C ATOM 269 CD ARG A 18 -11.620 -2.096 13.702 1.00 0.00 C ATOM 270 NE ARG A 18 -11.632 -3.363 12.955 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.100 -4.537 13.332 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.418 -4.686 14.475 1.00 0.00 N ATOM 273 NH2 ARG A 18 -11.264 -5.600 12.540 1.00 0.00 N ATOM 0 H ARG A 18 -11.620 1.558 12.962 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.824 0.629 10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.847 -1.509 11.085 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.659 -0.229 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.856 -1.303 12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.865 -0.098 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.137 -2.248 14.667 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.644 -1.783 13.903 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.097 -3.348 12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.286 -3.889 15.098 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.031 -5.596 14.723 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.785 -5.511 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.868 -6.501 12.807 1.00 0.00 H new ATOM 287 N ARG A 19 -14.237 0.153 13.400 1.00 0.00 N ATOM 288 CA ARG A 19 -15.527 -0.267 13.973 1.00 0.00 C ATOM 289 C ARG A 19 -16.666 0.625 13.468 1.00 0.00 C ATOM 290 O ARG A 19 -17.753 0.141 13.165 1.00 0.00 O ATOM 291 CB ARG A 19 -15.494 -0.274 15.513 1.00 0.00 C ATOM 292 CG ARG A 19 -15.633 1.114 16.124 1.00 0.00 C ATOM 293 CD ARG A 19 -15.161 1.152 17.560 1.00 0.00 C ATOM 294 NE ARG A 19 -16.034 2.010 18.349 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.919 2.261 19.660 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.064 1.557 20.411 1.00 0.00 N ATOM 297 NH2 ARG A 19 -16.633 3.241 20.217 1.00 0.00 N ATOM 0 H ARG A 19 -13.610 0.602 14.067 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.709 -1.289 13.640 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.298 -0.909 15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.557 -0.719 15.848 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.058 1.828 15.535 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.676 1.428 16.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.155 0.145 17.976 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.137 1.522 17.605 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.805 2.462 17.858 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.495 0.825 19.986 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.981 1.753 21.409 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.266 3.799 19.645 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.545 3.432 21.215 1.00 0.00 H new ATOM 311 N LEU A 20 -16.404 1.934 13.391 1.00 0.00 N ATOM 312 CA LEU A 20 -17.348 2.932 12.923 1.00 0.00 C ATOM 313 C LEU A 20 -17.736 2.631 11.495 1.00 0.00 C ATOM 314 O LEU A 20 -18.915 2.393 11.240 1.00 0.00 O ATOM 315 CB LEU A 20 -16.789 4.357 12.997 1.00 0.00 C ATOM 316 CG LEU A 20 -17.078 5.024 14.341 1.00 0.00 C ATOM 317 CD1 LEU A 20 -16.024 4.809 15.398 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.157 6.536 14.169 1.00 0.00 C ATOM 0 H LEU A 20 -15.504 2.330 13.661 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.216 2.883 13.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.712 4.332 12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.221 4.957 12.196 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.011 4.563 14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.318 5.320 16.315 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.919 3.742 15.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.072 5.209 15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.363 7.002 15.133 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.208 6.908 13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.956 6.781 13.469 1.00 0.00 H new ATOM 330 N ARG A 21 -16.749 2.608 10.585 1.00 0.00 N ATOM 331 CA ARG A 21 -16.995 2.217 9.207 1.00 0.00 C ATOM 332 C ARG A 21 -17.587 0.814 9.123 1.00 0.00 C ATOM 333 O ARG A 21 -18.333 0.540 8.183 1.00 0.00 O ATOM 334 CB ARG A 21 -15.692 2.404 8.406 1.00 0.00 C ATOM 335 CG ARG A 21 -15.605 1.666 7.057 1.00 0.00 C ATOM 336 CD ARG A 21 -14.958 0.276 7.169 1.00 0.00 C ATOM 337 NE ARG A 21 -13.530 0.374 7.519 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.671 -0.648 7.669 1.00 0.00 C ATOM 339 NH1 ARG A 21 -13.075 -1.917 7.531 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.391 -0.393 7.956 1.00 0.00 N ATOM 0 H ARG A 21 -15.781 2.856 10.787 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.753 2.857 8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.554 3.469 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.859 2.078 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.607 1.561 6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.031 2.271 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.480 -0.310 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.067 -0.255 6.223 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.156 1.312 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.049 -2.121 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.408 -2.680 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.074 0.571 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.731 -1.162 8.072 1.00 0.00 H new ATOM 354 N ALA A 22 -17.330 -0.045 10.118 1.00 0.00 N ATOM 355 CA ALA A 22 -17.940 -1.375 10.105 1.00 0.00 C ATOM 356 C ALA A 22 -19.429 -1.379 10.500 1.00 0.00 C ATOM 357 O ALA A 22 -20.102 -2.388 10.291 1.00 0.00 O ATOM 358 CB ALA A 22 -17.149 -2.323 10.996 1.00 0.00 C ATOM 0 H ALA A 22 -16.725 0.149 10.916 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.903 -1.720 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.612 -3.310 10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.125 -2.396 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.143 -1.943 12.017 1.00 0.00 H new ATOM 364 N ALA A 23 -19.954 -0.268 11.035 1.00 0.00 N ATOM 365 CA ALA A 23 -21.316 -0.112 11.534 1.00 0.00 C ATOM 366 C ALA A 23 -22.031 1.088 10.920 1.00 0.00 C ATOM 367 O ALA A 23 -23.021 1.553 11.489 1.00 0.00 O ATOM 368 CB ALA A 23 -21.283 0.054 13.049 1.00 0.00 C ATOM 0 H ALA A 23 -19.407 0.587 11.134 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.869 -1.008 11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.300 0.171 13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.828 -0.827 13.502 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.698 0.937 13.306 1.00 0.00 H new ATOM 374 N ASN A 24 -21.545 1.598 9.777 1.00 0.00 N ATOM 375 CA ASN A 24 -22.168 2.705 9.051 1.00 0.00 C ATOM 376 C ASN A 24 -22.132 4.049 9.806 1.00 0.00 C ATOM 377 O ASN A 24 -22.696 5.043 9.341 1.00 0.00 O ATOM 378 CB ASN A 24 -23.582 2.282 8.613 1.00 0.00 C ATOM 379 CG ASN A 24 -23.592 1.822 7.160 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.842 2.606 6.249 1.00 0.00 O ATOM 381 ND2 ASN A 24 -23.292 0.545 6.933 1.00 0.00 N ATOM 0 H ASN A 24 -20.699 1.246 9.330 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.572 2.908 8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.939 1.477 9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.270 3.118 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.264 0.190 5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.090 -0.078 7.715 1.00 0.00 H new ATOM 388 N LYS A 25 -21.416 4.101 10.936 1.00 0.00 N ATOM 389 CA LYS A 25 -20.921 5.329 11.521 1.00 0.00 C ATOM 390 C LYS A 25 -19.602 5.658 10.819 1.00 0.00 C ATOM 391 O LYS A 25 -19.136 4.919 9.950 1.00 0.00 O ATOM 392 CB LYS A 25 -20.764 5.163 13.045 1.00 0.00 C ATOM 393 CG LYS A 25 -22.121 5.183 13.775 1.00 0.00 C ATOM 394 CD LYS A 25 -21.954 5.707 15.207 1.00 0.00 C ATOM 395 CE LYS A 25 -23.288 5.941 15.917 1.00 0.00 C ATOM 396 NZ LYS A 25 -23.577 4.893 16.915 1.00 0.00 N ATOM 0 H LYS A 25 -21.166 3.269 11.471 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.616 6.157 11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.254 4.223 13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.133 5.963 13.433 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.824 5.813 13.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.544 4.179 13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.363 4.994 15.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.393 6.641 15.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.271 6.914 16.408 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.090 5.970 15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.602 4.849 17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.246 3.974 16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.087 5.116 17.805 1.00 0.00 H new ATOM 410 N PHE A 26 -18.999 6.788 11.178 1.00 0.00 N ATOM 411 CA PHE A 26 -17.701 7.214 10.681 1.00 0.00 C ATOM 412 C PHE A 26 -17.252 8.370 11.595 1.00 0.00 C ATOM 413 O PHE A 26 -18.096 9.003 12.241 1.00 0.00 O ATOM 414 CB PHE A 26 -17.783 7.604 9.190 1.00 0.00 C ATOM 415 CG PHE A 26 -18.289 9.001 8.958 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.489 9.422 9.557 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.487 9.915 8.258 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.810 10.776 9.578 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.840 11.269 8.237 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.966 11.698 8.946 1.00 0.00 C ATOM 0 H PHE A 26 -19.412 7.446 11.839 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.963 6.413 10.716 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.794 7.506 8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.436 6.900 8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.158 8.699 9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.603 9.576 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.705 11.114 10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.247 11.977 7.677 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.188 12.753 9.007 1.00 0.00 H new ATOM 430 N PRO A 27 -15.942 8.622 11.724 1.00 0.00 N ATOM 431 CA PRO A 27 -15.445 9.586 12.696 1.00 0.00 C ATOM 432 C PRO A 27 -15.776 11.039 12.339 1.00 0.00 C ATOM 433 O PRO A 27 -15.994 11.387 11.177 1.00 0.00 O ATOM 434 CB PRO A 27 -13.936 9.344 12.758 1.00 0.00 C ATOM 435 CG PRO A 27 -13.607 8.649 11.435 1.00 0.00 C ATOM 436 CD PRO A 27 -14.854 7.808 11.207 1.00 0.00 C ATOM 0 HA PRO A 27 -15.928 9.442 13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.387 10.280 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.668 8.721 13.611 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.442 9.363 10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.708 8.036 11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.994 7.584 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.790 6.853 11.729 1.00 0.00 H new ATOM 444 N ALA A 28 -15.722 11.891 13.368 1.00 0.00 N ATOM 445 CA ALA A 28 -15.582 13.338 13.258 1.00 0.00 C ATOM 446 C ALA A 28 -14.740 13.864 14.428 1.00 0.00 C ATOM 447 O ALA A 28 -14.414 13.116 15.359 1.00 0.00 O ATOM 448 CB ALA A 28 -16.957 14.012 13.201 1.00 0.00 C ATOM 0 H ALA A 28 -15.777 11.574 14.336 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.066 13.581 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.830 15.091 13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.507 13.644 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.514 13.780 14.109 1.00 0.00 H new ATOM 454 N ILE A 29 -14.435 15.168 14.390 1.00 0.00 N ATOM 455 CA ILE A 29 -13.788 15.915 15.463 1.00 0.00 C ATOM 456 C ILE A 29 -14.566 17.197 15.741 1.00 0.00 C ATOM 457 O ILE A 29 -15.261 17.729 14.877 1.00 0.00 O ATOM 458 CB ILE A 29 -12.300 16.162 15.122 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.416 16.740 16.247 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.095 17.084 13.917 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.390 15.878 17.498 1.00 0.00 C ATOM 0 H ILE A 29 -14.642 15.749 13.577 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.798 15.333 16.385 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.980 15.140 14.919 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.398 16.858 15.875 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.777 17.735 16.508 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.028 17.213 13.735 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.562 16.642 13.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.549 18.054 14.120 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.750 16.344 18.247 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.401 15.781 17.894 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.001 14.890 17.251 1.00 0.00 H new ATOM 473 N ILE A 30 -14.397 17.691 16.964 1.00 0.00 N ATOM 474 CA ILE A 30 -14.932 18.944 17.477 1.00 0.00 C ATOM 475 C ILE A 30 -13.709 19.675 18.032 1.00 0.00 C ATOM 476 O ILE A 30 -13.318 19.399 19.162 1.00 0.00 O ATOM 477 CB ILE A 30 -16.058 18.706 18.537 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.338 18.197 17.834 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.308 19.978 19.366 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.574 17.836 18.693 1.00 0.00 C ATOM 0 H ILE A 30 -13.848 17.194 17.666 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.430 19.539 16.711 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.738 17.937 19.240 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.646 18.960 17.119 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.067 17.312 17.259 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.095 19.788 20.096 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.392 20.260 19.885 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.615 20.789 18.705 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.382 17.497 18.044 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.312 17.041 19.391 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.900 18.715 19.249 1.00 0.00 H new ATOM 492 N TYR A 31 -13.071 20.553 17.247 1.00 0.00 N ATOM 493 CA TYR A 31 -11.877 21.278 17.682 1.00 0.00 C ATOM 494 C TYR A 31 -12.152 22.753 17.989 1.00 0.00 C ATOM 495 O TYR A 31 -13.303 23.169 18.069 1.00 0.00 O ATOM 496 CB TYR A 31 -10.662 20.985 16.797 1.00 0.00 C ATOM 497 CG TYR A 31 -10.712 21.209 15.302 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.802 22.504 14.763 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.493 20.114 14.448 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.746 22.691 13.370 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.408 20.293 13.061 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.555 21.586 12.511 1.00 0.00 C ATOM 503 OH TYR A 31 -10.527 21.768 11.162 1.00 0.00 O ATOM 0 H TYR A 31 -13.369 20.778 16.298 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.586 20.880 18.654 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.836 21.583 17.181 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.398 19.939 16.954 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.914 23.355 15.418 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.389 19.124 14.866 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.849 23.683 12.956 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.231 19.446 12.415 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.654 20.906 10.713 1.00 0.00 H new ATOM 574 N PRO A 37 -9.673 19.412 21.775 1.00 0.00 N ATOM 575 CA PRO A 37 -10.816 19.044 20.947 1.00 0.00 C ATOM 576 C PRO A 37 -11.515 17.784 21.469 1.00 0.00 C ATOM 577 O PRO A 37 -11.278 17.359 22.602 1.00 0.00 O ATOM 578 CB PRO A 37 -10.191 18.847 19.579 1.00 0.00 C ATOM 579 CG PRO A 37 -8.940 18.103 19.961 1.00 0.00 C ATOM 580 CD PRO A 37 -8.471 18.818 21.212 1.00 0.00 C ATOM 0 HA PRO A 37 -11.608 19.793 20.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.829 18.271 18.909 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.977 19.792 19.080 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.143 17.049 20.153 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.191 18.145 19.170 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.007 18.124 21.913 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.727 19.579 20.977 1.00 0.00 H new ATOM 588 N LEU A 38 -12.418 17.212 20.659 1.00 0.00 N ATOM 589 CA LEU A 38 -13.316 16.169 21.126 1.00 0.00 C ATOM 590 C LEU A 38 -13.798 15.347 19.943 1.00 0.00 C ATOM 591 O LEU A 38 -14.698 15.744 19.210 1.00 0.00 O ATOM 592 CB LEU A 38 -14.489 16.797 21.880 1.00 0.00 C ATOM 593 CG LEU A 38 -15.434 15.718 22.454 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.189 15.570 23.955 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.874 16.118 22.154 1.00 0.00 C ATOM 0 H LEU A 38 -12.539 17.461 19.677 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.789 15.506 21.812 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.111 17.420 22.691 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.046 17.451 21.209 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.241 14.751 21.990 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.856 14.809 24.359 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.154 15.274 24.127 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.382 16.521 24.451 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.552 15.364 22.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.088 17.081 22.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.013 16.195 21.076 1.00 0.00 H new ATOM 607 N ALA A 39 -13.162 14.201 19.741 1.00 0.00 N ATOM 608 CA ALA A 39 -13.534 13.266 18.704 1.00 0.00 C ATOM 609 C ALA A 39 -14.867 12.608 19.088 1.00 0.00 C ATOM 610 O ALA A 39 -15.014 12.180 20.233 1.00 0.00 O ATOM 611 CB ALA A 39 -12.374 12.287 18.591 1.00 0.00 C ATOM 0 H ALA A 39 -12.366 13.897 20.302 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.699 13.729 17.731 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.594 11.550 17.819 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.465 12.828 18.327 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.231 11.781 19.546 1.00 0.00 H new ATOM 617 N ILE A 40 -15.838 12.525 18.161 1.00 0.00 N ATOM 618 CA ILE A 40 -17.179 12.030 18.400 1.00 0.00 C ATOM 619 C ILE A 40 -17.611 11.174 17.191 1.00 0.00 C ATOM 620 O ILE A 40 -17.477 11.566 16.032 1.00 0.00 O ATOM 621 CB ILE A 40 -18.144 13.194 18.710 1.00 0.00 C ATOM 622 CG1 ILE A 40 -17.888 14.589 18.119 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.187 13.421 20.221 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.690 14.649 16.624 1.00 0.00 C ATOM 0 H ILE A 40 -15.691 12.815 17.194 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.203 11.391 19.283 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.054 12.834 18.230 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.728 15.232 18.380 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -17.004 15.009 18.600 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.867 14.242 20.446 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.536 12.515 20.715 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.188 13.668 20.580 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.518 15.682 16.321 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.829 14.041 16.346 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -18.580 14.268 16.124 1.00 0.00 H new ATOM 636 N GLU A 41 -18.086 9.967 17.498 1.00 0.00 N ATOM 637 CA GLU A 41 -18.589 8.902 16.641 1.00 0.00 C ATOM 638 C GLU A 41 -20.044 9.184 16.275 1.00 0.00 C ATOM 639 O GLU A 41 -20.893 9.204 17.162 1.00 0.00 O ATOM 640 CB GLU A 41 -18.420 7.580 17.433 1.00 0.00 C ATOM 641 CG GLU A 41 -19.275 6.378 17.021 1.00 0.00 C ATOM 642 CD GLU A 41 -18.770 5.039 17.588 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.024 5.042 18.593 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.110 4.001 16.979 1.00 0.00 O ATOM 0 H GLU A 41 -18.131 9.682 18.476 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.043 8.833 15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.373 7.283 17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.626 7.791 18.482 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.300 6.541 17.354 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.300 6.316 15.933 1.00 0.00 H new ATOM 651 N LEU A 42 -20.343 9.400 14.985 1.00 0.00 N ATOM 652 CA LEU A 42 -21.693 9.718 14.521 1.00 0.00 C ATOM 653 C LEU A 42 -22.079 8.898 13.293 1.00 0.00 C ATOM 654 O LEU A 42 -21.230 8.284 12.649 1.00 0.00 O ATOM 655 CB LEU A 42 -21.864 11.230 14.276 1.00 0.00 C ATOM 656 CG LEU A 42 -21.262 11.791 12.968 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.863 13.154 12.680 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.751 11.995 13.036 1.00 0.00 C ATOM 0 H LEU A 42 -19.651 9.358 14.237 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.382 9.439 15.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.930 11.458 14.286 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.416 11.764 15.114 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.487 11.055 12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.439 13.551 11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.944 13.060 12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.639 13.832 13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.394 12.391 12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.514 12.699 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.264 11.041 13.238 1.00 0.00 H new ATOM 670 N ASP A 43 -23.377 8.924 12.968 1.00 0.00 N ATOM 671 CA ASP A 43 -23.937 8.263 11.803 1.00 0.00 C ATOM 672 C ASP A 43 -23.550 9.062 10.563 1.00 0.00 C ATOM 673 O ASP A 43 -23.658 10.292 10.556 1.00 0.00 O ATOM 674 CB ASP A 43 -25.460 8.167 11.937 1.00 0.00 C ATOM 675 CG ASP A 43 -26.055 7.227 10.894 1.00 0.00 C ATOM 676 OD1 ASP A 43 -26.278 7.711 9.764 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.264 6.048 11.246 1.00 0.00 O ATOM 0 H ASP A 43 -24.075 9.418 13.525 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.545 7.250 11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.717 7.813 12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.899 9.159 11.827 1.00 0.00 H new ATOM 682 N HIS A 44 -23.096 8.358 9.524 1.00 0.00 N ATOM 683 CA HIS A 44 -22.709 8.968 8.266 1.00 0.00 C ATOM 684 C HIS A 44 -23.930 9.439 7.493 1.00 0.00 C ATOM 685 O HIS A 44 -23.943 10.581 7.052 1.00 0.00 O ATOM 686 CB HIS A 44 -21.914 7.953 7.446 1.00 0.00 C ATOM 687 CG HIS A 44 -21.437 8.423 6.089 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.018 9.387 5.293 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.365 7.919 5.403 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.322 9.453 4.153 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.308 8.576 4.171 1.00 0.00 N ATOM 0 H HIS A 44 -22.989 7.344 9.539 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.089 9.842 8.467 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -21.045 7.646 8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.532 7.066 7.305 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.834 9.950 5.531 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.687 7.153 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.545 10.119 3.333 1.00 0.00 H new ATOM 699 N ASP A 45 -24.909 8.568 7.242 1.00 0.00 N ATOM 700 CA ASP A 45 -26.015 8.883 6.341 1.00 0.00 C ATOM 701 C ASP A 45 -26.921 9.986 6.910 1.00 0.00 C ATOM 702 O ASP A 45 -27.547 10.737 6.161 1.00 0.00 O ATOM 703 CB ASP A 45 -26.788 7.597 6.068 1.00 0.00 C ATOM 704 CG ASP A 45 -27.405 7.624 4.667 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.607 7.590 3.698 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.650 7.674 4.579 1.00 0.00 O ATOM 0 H ASP A 45 -24.957 7.636 7.653 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.622 9.278 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.122 6.739 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.573 7.473 6.814 1.00 0.00 H new ATOM 711 N LYS A 46 -26.897 10.131 8.240 1.00 0.00 N ATOM 712 CA LYS A 46 -27.351 11.299 8.979 1.00 0.00 C ATOM 713 C LYS A 46 -26.563 12.520 8.523 1.00 0.00 C ATOM 714 O LYS A 46 -27.079 13.271 7.702 1.00 0.00 O ATOM 715 CB LYS A 46 -27.143 11.023 10.464 1.00 0.00 C ATOM 716 CG LYS A 46 -27.432 12.221 11.358 1.00 0.00 C ATOM 717 CD LYS A 46 -27.315 11.876 12.828 1.00 0.00 C ATOM 718 CE LYS A 46 -25.971 11.366 13.355 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.197 10.308 14.358 1.00 0.00 N ATOM 0 H LYS A 46 -26.542 9.397 8.853 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.407 11.498 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.785 10.195 10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.114 10.702 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.738 13.027 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.436 12.593 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.579 12.766 13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -28.067 11.119 13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.371 10.978 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -25.409 12.187 13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -25.631 10.508 15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.205 10.281 14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.915 9.389 13.962 1.00 0.00 H new ATOM 733 N VAL A 47 -25.343 12.736 9.052 1.00 0.00 N ATOM 734 CA VAL A 47 -24.545 13.920 8.765 1.00 0.00 C ATOM 735 C VAL A 47 -24.391 14.237 7.276 1.00 0.00 C ATOM 736 O VAL A 47 -24.218 15.391 6.907 1.00 0.00 O ATOM 737 CB VAL A 47 -23.195 13.827 9.456 1.00 0.00 C ATOM 738 CG1 VAL A 47 -22.204 12.957 8.723 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.621 15.224 9.670 1.00 0.00 C ATOM 0 H VAL A 47 -24.891 12.084 9.693 1.00 0.00 H new ATOM 0 HA VAL A 47 -25.103 14.764 9.171 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.369 13.346 10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.263 12.936 9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.599 11.945 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -22.033 13.361 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.653 15.148 10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.497 15.718 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.302 15.806 10.291 1.00 0.00 H new ATOM 749 N MET A 48 -24.481 13.217 6.427 1.00 0.00 N ATOM 750 CA MET A 48 -24.596 13.346 4.988 1.00 0.00 C ATOM 751 C MET A 48 -25.706 14.338 4.650 1.00 0.00 C ATOM 752 O MET A 48 -25.405 15.393 4.118 1.00 0.00 O ATOM 753 CB MET A 48 -24.801 11.985 4.313 1.00 0.00 C ATOM 754 CG MET A 48 -24.971 12.074 2.791 1.00 0.00 C ATOM 755 SD MET A 48 -23.486 11.713 1.814 1.00 0.00 S ATOM 756 CE MET A 48 -22.519 13.229 2.035 1.00 0.00 C ATOM 0 H MET A 48 -24.475 12.246 6.739 1.00 0.00 H new ATOM 0 HA MET A 48 -23.659 13.738 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.948 11.345 4.538 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.681 11.505 4.741 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.759 11.383 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.314 13.078 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.508 13.074 1.657 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.991 14.045 1.487 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.475 13.482 3.094 1.00 0.00 H new ATOM 766 N ASN A 49 -26.962 14.050 4.999 1.00 0.00 N ATOM 767 CA ASN A 49 -28.084 14.973 4.828 1.00 0.00 C ATOM 768 C ASN A 49 -27.876 16.334 5.501 1.00 0.00 C ATOM 769 O ASN A 49 -28.487 17.314 5.073 1.00 0.00 O ATOM 770 CB ASN A 49 -29.322 14.292 5.416 1.00 0.00 C ATOM 771 CG ASN A 49 -30.607 15.115 5.358 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.908 15.783 4.371 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.385 15.054 6.435 1.00 0.00 N ATOM 0 H ASN A 49 -27.231 13.158 5.413 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.190 15.186 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.487 13.354 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -29.118 14.039 6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.263 15.572 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -31.103 14.489 7.236 1.00 0.00 H new ATOM 780 N MET A 50 -27.030 16.420 6.535 1.00 0.00 N ATOM 781 CA MET A 50 -26.843 17.613 7.306 1.00 0.00 C ATOM 782 C MET A 50 -25.853 18.535 6.566 1.00 0.00 C ATOM 783 O MET A 50 -26.256 19.576 6.067 1.00 0.00 O ATOM 784 CB MET A 50 -26.378 17.168 8.698 1.00 0.00 C ATOM 785 CG MET A 50 -27.180 16.097 9.422 1.00 0.00 C ATOM 786 SD MET A 50 -28.790 16.538 10.108 1.00 0.00 S ATOM 787 CE MET A 50 -28.512 15.860 11.768 1.00 0.00 C ATOM 0 H MET A 50 -26.455 15.638 6.849 1.00 0.00 H new ATOM 0 HA MET A 50 -27.753 18.200 7.429 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.353 16.809 8.606 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.351 18.051 9.337 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.331 15.271 8.727 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.565 15.718 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.436 15.418 12.140 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.737 15.095 11.723 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.196 16.659 12.439 1.00 0.00 H new ATOM 797 N GLN A 51 -24.582 18.141 6.411 1.00 0.00 N ATOM 798 CA GLN A 51 -23.539 18.811 5.612 1.00 0.00 C ATOM 799 C GLN A 51 -23.954 19.047 4.155 1.00 0.00 C ATOM 800 O GLN A 51 -23.361 19.887 3.480 1.00 0.00 O ATOM 801 CB GLN A 51 -22.242 17.966 5.757 1.00 0.00 C ATOM 802 CG GLN A 51 -21.304 17.745 4.564 1.00 0.00 C ATOM 803 CD GLN A 51 -21.886 16.972 3.392 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.540 17.227 2.245 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.762 16.018 3.663 1.00 0.00 N ATOM 0 H GLN A 51 -24.231 17.298 6.865 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.367 19.819 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.649 18.425 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.542 16.981 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.973 18.719 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.418 17.218 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.029 15.830 4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.170 15.470 2.906 1.00 0.00 H new ATOM 814 N ALA A 52 -24.983 18.338 3.683 1.00 0.00 N ATOM 815 CA ALA A 52 -25.570 18.468 2.381 1.00 0.00 C ATOM 816 C ALA A 52 -26.386 19.754 2.222 1.00 0.00 C ATOM 817 O ALA A 52 -26.846 19.996 1.106 1.00 0.00 O ATOM 818 CB ALA A 52 -26.398 17.221 2.070 1.00 0.00 C ATOM 0 H ALA A 52 -25.442 17.622 4.245 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.763 18.549 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.845 17.318 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.754 16.342 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.186 17.113 2.815 1.00 0.00 H new ATOM 824 N LYS A 53 -26.546 20.597 3.265 1.00 0.00 N ATOM 825 CA LYS A 53 -26.999 21.963 3.034 1.00 0.00 C ATOM 826 C LYS A 53 -26.010 22.948 3.640 1.00 0.00 C ATOM 827 O LYS A 53 -25.256 22.606 4.550 1.00 0.00 O ATOM 828 CB LYS A 53 -28.440 22.152 3.518 1.00 0.00 C ATOM 829 CG LYS A 53 -28.627 22.055 5.038 1.00 0.00 C ATOM 830 CD LYS A 53 -28.973 20.652 5.523 1.00 0.00 C ATOM 831 CE LYS A 53 -30.432 20.241 5.285 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.545 19.218 4.223 1.00 0.00 N ATOM 0 H LYS A 53 -26.372 20.356 4.241 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.024 22.167 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.796 23.127 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.070 21.402 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.712 22.385 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.418 22.741 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.320 19.937 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.759 20.586 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.857 19.853 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -31.017 21.118 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.510 18.830 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -30.339 19.651 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.865 18.452 4.405 1.00 0.00 H new ATOM 846 N ALA A 54 -26.022 24.184 3.135 1.00 0.00 N ATOM 847 CA ALA A 54 -25.076 25.198 3.577 1.00 0.00 C ATOM 848 C ALA A 54 -25.384 25.708 4.980 1.00 0.00 C ATOM 849 O ALA A 54 -24.472 26.141 5.678 1.00 0.00 O ATOM 850 CB ALA A 54 -25.045 26.357 2.578 1.00 0.00 C ATOM 0 H ALA A 54 -26.677 24.501 2.421 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.092 24.731 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.334 27.111 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.741 25.986 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.038 26.801 2.505 1.00 0.00 H new ATOM 856 N GLU A 55 -26.642 25.582 5.416 1.00 0.00 N ATOM 857 CA GLU A 55 -27.111 25.863 6.760 1.00 0.00 C ATOM 858 C GLU A 55 -26.336 25.055 7.813 1.00 0.00 C ATOM 859 O GLU A 55 -26.282 25.443 8.973 1.00 0.00 O ATOM 860 CB GLU A 55 -28.605 25.509 6.860 1.00 0.00 C ATOM 861 CG GLU A 55 -29.500 26.070 5.744 1.00 0.00 C ATOM 862 CD GLU A 55 -30.942 25.584 5.913 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.707 26.272 6.622 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.255 24.518 5.336 1.00 0.00 O ATOM 0 H GLU A 55 -27.392 25.264 4.802 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.951 26.923 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.702 24.423 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.981 25.869 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.473 27.160 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.117 25.758 4.772 1.00 0.00 H new ATOM 871 N PHE A 56 -25.729 23.927 7.432 1.00 0.00 N ATOM 872 CA PHE A 56 -25.017 23.076 8.366 1.00 0.00 C ATOM 873 C PHE A 56 -23.663 23.634 8.759 1.00 0.00 C ATOM 874 O PHE A 56 -23.266 23.554 9.920 1.00 0.00 O ATOM 875 CB PHE A 56 -24.826 21.724 7.706 1.00 0.00 C ATOM 876 CG PHE A 56 -23.922 20.724 8.396 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.537 20.683 8.147 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.507 19.735 9.188 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.772 19.610 8.638 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.749 18.651 9.656 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.382 18.583 9.368 1.00 0.00 C ATOM 0 H PHE A 56 -25.722 23.587 6.470 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.606 23.005 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.808 21.265 7.592 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.435 21.893 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -22.064 21.472 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.554 19.805 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.709 19.578 8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.220 17.872 10.237 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.798 17.740 9.708 1.00 0.00 H new ATOM 891 N TYR A 57 -22.929 24.129 7.764 1.00 0.00 N ATOM 892 CA TYR A 57 -21.625 24.712 8.023 1.00 0.00 C ATOM 893 C TYR A 57 -21.720 26.192 8.398 1.00 0.00 C ATOM 894 O TYR A 57 -20.885 26.689 9.153 1.00 0.00 O ATOM 895 CB TYR A 57 -20.688 24.467 6.830 1.00 0.00 C ATOM 896 CG TYR A 57 -21.009 25.153 5.512 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.772 26.534 5.354 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.438 24.391 4.406 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.998 27.159 4.117 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.630 25.003 3.154 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.424 26.395 3.008 1.00 0.00 C ATOM 902 OH TYR A 57 -21.624 27.000 1.803 1.00 0.00 O ATOM 0 H TYR A 57 -23.215 24.136 6.785 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.196 24.214 8.892 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.684 24.770 7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.656 23.393 6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.414 27.115 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.620 23.333 4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.846 28.223 4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.935 24.410 2.304 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.914 26.333 1.146 1.00 0.00 H new ATOM 912 N SER A 58 -22.741 26.886 7.882 1.00 0.00 N ATOM 913 CA SER A 58 -22.971 28.305 8.113 1.00 0.00 C ATOM 914 C SER A 58 -23.620 28.538 9.481 1.00 0.00 C ATOM 915 O SER A 58 -23.410 29.595 10.076 1.00 0.00 O ATOM 916 CB SER A 58 -23.862 28.848 6.989 1.00 0.00 C ATOM 917 OG SER A 58 -23.952 30.256 7.034 1.00 0.00 O ATOM 0 H SER A 58 -23.444 26.460 7.278 1.00 0.00 H new ATOM 0 HA SER A 58 -22.017 28.833 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.461 28.539 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.859 28.416 7.073 1.00 0.00 H new ATOM 0 HG SER A 58 -24.525 30.571 6.304 1.00 0.00 H new ATOM 923 N GLU A 59 -24.387 27.560 9.989 1.00 0.00 N ATOM 924 CA GLU A 59 -25.154 27.689 11.216 1.00 0.00 C ATOM 925 C GLU A 59 -24.835 26.486 12.103 1.00 0.00 C ATOM 926 O GLU A 59 -24.618 25.377 11.621 1.00 0.00 O ATOM 927 CB GLU A 59 -26.673 27.816 10.958 1.00 0.00 C ATOM 928 CG GLU A 59 -27.144 28.367 9.589 1.00 0.00 C ATOM 929 CD GLU A 59 -28.307 29.351 9.733 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.357 28.923 10.263 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.132 30.514 9.309 1.00 0.00 O ATOM 0 H GLU A 59 -24.486 26.648 9.544 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.868 28.613 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.116 26.829 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.089 28.457 11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.310 28.863 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.448 27.538 8.950 1.00 0.00 H new ATOM 938 N VAL A 60 -24.789 26.722 13.412 1.00 0.00 N ATOM 939 CA VAL A 60 -24.397 25.741 14.411 1.00 0.00 C ATOM 940 C VAL A 60 -25.300 24.501 14.412 1.00 0.00 C ATOM 941 O VAL A 60 -26.498 24.582 14.142 1.00 0.00 O ATOM 942 CB VAL A 60 -24.334 26.463 15.775 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.656 27.117 16.211 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.914 25.517 16.889 1.00 0.00 C ATOM 0 H VAL A 60 -25.031 27.628 13.814 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.412 25.339 14.174 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.595 27.249 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.521 27.601 17.178 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.955 27.861 15.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.430 26.354 16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.881 26.060 17.834 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.633 24.701 16.964 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.927 25.111 16.669 1.00 0.00 H new ATOM 954 N LEU A 61 -24.704 23.357 14.773 1.00 0.00 N ATOM 955 CA LEU A 61 -25.337 22.058 14.909 1.00 0.00 C ATOM 956 C LEU A 61 -25.267 21.636 16.382 1.00 0.00 C ATOM 957 O LEU A 61 -24.400 22.130 17.103 1.00 0.00 O ATOM 958 CB LEU A 61 -24.538 21.055 14.079 1.00 0.00 C ATOM 959 CG LEU A 61 -24.192 21.464 12.627 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.217 20.439 12.058 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.375 21.622 11.662 1.00 0.00 C ATOM 0 H LEU A 61 -23.708 23.322 14.989 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.374 22.096 14.575 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.606 20.847 14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.099 20.121 14.044 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.766 22.464 12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.961 20.710 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.312 20.421 12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.680 19.452 12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -25.006 21.910 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.911 20.676 11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -26.049 22.392 12.036 1.00 0.00 H new ATOM 973 N THR A 62 -26.107 20.686 16.827 1.00 0.00 N ATOM 974 CA THR A 62 -26.116 20.238 18.216 1.00 0.00 C ATOM 975 C THR A 62 -25.747 18.757 18.263 1.00 0.00 C ATOM 976 O THR A 62 -26.588 17.895 18.055 1.00 0.00 O ATOM 977 CB THR A 62 -27.478 20.509 18.868 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.939 21.818 18.602 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.374 20.302 20.375 1.00 0.00 C ATOM 0 H THR A 62 -26.790 20.215 16.234 1.00 0.00 H new ATOM 0 HA THR A 62 -25.377 20.799 18.788 1.00 0.00 H new ATOM 0 HB THR A 62 -28.196 19.809 18.440 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.809 21.952 19.032 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.342 20.495 20.836 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.072 19.275 20.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.633 20.988 20.786 1.00 0.00 H new ATOM 987 N ILE A 63 -24.483 18.430 18.496 1.00 0.00 N ATOM 988 CA ILE A 63 -24.027 17.058 18.561 1.00 0.00 C ATOM 989 C ILE A 63 -24.272 16.468 19.934 1.00 0.00 C ATOM 990 O ILE A 63 -23.644 16.848 20.914 1.00 0.00 O ATOM 991 CB ILE A 63 -22.594 17.001 18.010 1.00 0.00 C ATOM 992 CG1 ILE A 63 -22.742 16.958 16.492 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.822 15.748 18.362 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.964 17.979 15.768 1.00 0.00 C ATOM 0 H ILE A 63 -23.745 19.118 18.645 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.608 16.394 17.920 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.055 17.851 18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -22.439 15.972 16.139 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -23.796 17.077 16.240 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.823 15.802 17.928 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.743 15.662 19.446 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.343 14.876 17.966 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -22.131 17.872 14.696 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.281 18.972 16.087 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -20.904 17.850 15.984 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.251 15.561 19.974 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.798 14.985 21.187 1.00 0.00 C ATOM 1008 C VAL A 64 -25.027 13.706 21.469 1.00 0.00 C ATOM 1009 O VAL A 64 -25.439 12.623 21.060 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.319 14.800 21.080 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.940 14.357 22.399 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.970 16.125 20.707 1.00 0.00 C ATOM 0 H VAL A 64 -25.694 15.200 19.129 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.673 15.653 22.039 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.489 14.033 20.324 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.016 14.240 22.273 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.505 13.406 22.705 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.744 15.108 23.164 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.049 15.992 20.632 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.749 16.868 21.474 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.579 16.466 19.748 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.869 13.873 22.108 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.906 12.840 22.417 1.00 0.00 C ATOM 1024 C VAL A 65 -23.471 12.019 23.567 1.00 0.00 C ATOM 1025 O VAL A 65 -23.370 12.405 24.731 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.493 13.423 22.631 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.155 14.358 21.477 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.270 14.245 23.898 1.00 0.00 C ATOM 0 H VAL A 65 -23.570 14.790 22.439 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.756 12.159 21.579 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.865 12.535 22.707 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.158 14.772 21.624 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.183 13.803 20.539 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.883 15.169 21.441 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.238 14.596 23.927 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.944 15.101 23.900 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.468 13.626 24.773 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.143 10.918 23.220 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.750 10.006 24.180 1.00 0.00 C ATOM 1040 C ASP A 66 -25.769 10.715 25.098 1.00 0.00 C ATOM 1041 O ASP A 66 -25.986 10.299 26.235 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.600 9.280 24.907 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.056 8.076 25.735 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.871 7.287 25.207 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.555 7.947 26.875 1.00 0.00 O ATOM 0 H ASP A 66 -24.280 10.635 22.250 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.364 9.255 23.683 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.870 8.947 24.170 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.092 9.988 25.562 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.386 11.807 24.610 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.367 12.601 25.350 1.00 0.00 C ATOM 1052 C GLY A 67 -26.869 13.993 25.760 1.00 0.00 C ATOM 1053 O GLY A 67 -27.679 14.800 26.213 1.00 0.00 O ATOM 0 H GLY A 67 -26.209 12.164 23.671 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.262 12.713 24.739 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.659 12.054 26.246 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.571 14.296 25.603 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.979 15.582 25.972 1.00 0.00 C ATOM 1059 C LYS A 68 -24.889 16.453 24.738 1.00 0.00 C ATOM 1060 O LYS A 68 -24.259 16.072 23.766 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.585 15.371 26.563 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.702 14.854 27.996 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.481 14.036 28.437 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.193 14.866 28.384 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.012 14.058 28.747 1.00 0.00 N ATOM 0 H LYS A 68 -24.896 13.640 25.209 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.603 16.068 26.722 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.026 14.660 25.955 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.029 16.308 26.549 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.831 15.699 28.672 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.597 14.237 28.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.636 13.669 29.452 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.377 13.162 27.794 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.062 15.273 27.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.277 15.714 29.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.158 14.650 28.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.126 13.691 29.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.918 13.263 28.083 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.536 17.610 24.776 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.784 18.438 23.601 1.00 0.00 C ATOM 1081 C GLU A 69 -24.649 19.444 23.386 1.00 0.00 C ATOM 1082 O GLU A 69 -24.473 20.336 24.216 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.140 19.127 23.785 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.249 18.102 24.049 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.625 18.687 23.730 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.032 18.568 22.553 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.236 19.263 24.656 1.00 0.00 O ATOM 0 H GLU A 69 -25.910 18.007 25.638 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.814 17.822 22.703 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.084 19.830 24.617 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.381 19.706 22.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.079 17.213 23.442 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.217 17.787 25.092 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.869 19.297 22.299 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.670 20.113 22.073 1.00 0.00 C ATOM 1096 C ILE A 70 -22.896 20.987 20.841 1.00 0.00 C ATOM 1097 O ILE A 70 -23.147 20.478 19.753 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.390 19.246 21.946 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.828 18.727 23.285 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.269 20.080 21.331 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.705 17.681 23.942 1.00 0.00 C ATOM 0 H ILE A 70 -24.052 18.616 21.562 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.505 20.753 22.940 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.694 18.393 21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.837 18.305 23.115 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.704 19.567 23.968 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.369 19.471 21.242 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.573 20.426 20.343 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.063 20.940 21.969 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.249 17.361 24.879 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.689 18.105 24.143 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.809 16.823 23.277 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.754 22.306 20.999 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.866 23.256 19.912 1.00 0.00 C ATOM 1115 C LYS A 71 -21.548 23.356 19.158 1.00 0.00 C ATOM 1116 O LYS A 71 -20.527 23.684 19.760 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.331 24.626 20.452 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.834 24.794 20.710 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.718 24.014 19.722 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.026 24.688 19.330 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.997 24.696 20.440 1.00 0.00 N ATOM 0 H LYS A 71 -22.556 22.740 21.901 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.618 22.909 19.204 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.802 24.821 21.385 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.020 25.394 19.743 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.059 24.465 21.724 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.088 25.853 20.655 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.141 23.828 18.816 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.948 23.042 20.159 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.826 25.712 19.016 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.458 24.170 18.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.873 25.164 20.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.208 23.718 20.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.596 25.212 21.249 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.585 23.079 17.842 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.433 23.122 16.935 1.00 0.00 C ATOM 1137 C VAL A 72 -20.833 23.496 15.507 1.00 0.00 C ATOM 1138 O VAL A 72 -21.963 23.243 15.111 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.699 21.778 16.947 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.070 21.504 18.281 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.535 20.572 16.535 1.00 0.00 C ATOM 0 H VAL A 72 -22.448 22.811 17.369 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.764 23.903 17.297 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.935 21.899 16.179 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.558 20.542 18.251 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.351 22.290 18.513 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.843 21.481 19.050 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.921 19.672 16.578 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.381 20.467 17.214 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.901 20.713 15.518 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.908 24.050 14.708 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.175 24.472 13.327 1.00 0.00 C ATOM 1153 C LYS A 73 -19.151 23.819 12.429 1.00 0.00 C ATOM 1154 O LYS A 73 -17.962 23.888 12.735 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.038 25.988 13.133 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.909 26.831 14.067 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.058 27.714 14.976 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.357 28.830 14.196 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.431 29.596 15.052 1.00 0.00 N ATOM 0 H LYS A 73 -18.947 24.218 15.006 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.199 24.183 13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.995 26.267 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.291 26.233 12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.581 27.454 13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.534 26.176 14.674 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.688 28.153 15.749 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.312 27.101 15.482 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.807 28.399 13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.103 29.503 13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.975 30.342 14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.960 30.028 15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.704 28.958 15.435 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.606 23.212 11.331 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.703 22.536 10.421 1.00 0.00 C ATOM 1175 C ALA A 74 -17.736 23.523 9.774 1.00 0.00 C ATOM 1176 O ALA A 74 -18.123 24.621 9.377 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.489 21.753 9.388 1.00 0.00 C ATOM 0 H ALA A 74 -20.588 23.179 11.059 1.00 0.00 H new ATOM 0 HA ALA A 74 -18.100 21.827 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.799 21.250 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -20.111 21.011 9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -20.123 22.434 8.820 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.477 23.096 9.694 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.324 23.933 9.404 1.00 0.00 C ATOM 1185 C GLN A 75 -14.516 23.348 8.244 1.00 0.00 C ATOM 1186 O GLN A 75 -14.005 24.103 7.420 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.511 24.022 10.703 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.427 25.108 10.716 1.00 0.00 C ATOM 1189 CD GLN A 75 -13.988 26.530 10.616 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -15.053 26.833 11.148 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -13.267 27.433 9.955 1.00 0.00 N ATOM 0 H GLN A 75 -16.227 22.117 9.836 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.618 24.933 9.085 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -15.196 24.204 11.531 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.039 23.057 10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.845 25.019 11.633 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.742 24.937 9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.385 27.162 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.596 28.396 9.884 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.460 22.011 8.152 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.962 21.269 7.007 1.00 0.00 C ATOM 1202 C ASP A 76 -14.645 19.903 7.024 1.00 0.00 C ATOM 1203 O ASP A 76 -14.365 19.070 7.883 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.432 21.131 7.034 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.940 20.372 5.799 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -12.128 20.918 4.689 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -11.398 19.258 5.971 1.00 0.00 O ATOM 0 H ASP A 76 -14.775 21.403 8.908 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.194 21.803 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.972 22.119 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.124 20.605 7.938 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.582 19.688 6.099 1.00 0.00 N ATOM 1213 CA VAL A 77 -16.084 18.353 5.799 1.00 0.00 C ATOM 1214 C VAL A 77 -15.139 17.724 4.765 1.00 0.00 C ATOM 1215 O VAL A 77 -14.562 18.409 3.920 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.552 18.394 5.324 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.529 18.836 6.426 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.741 19.337 4.145 1.00 0.00 C ATOM 0 H VAL A 77 -16.009 20.429 5.543 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.094 17.736 6.697 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.775 17.368 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.544 18.845 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.472 18.140 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.264 19.837 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.788 19.336 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.448 20.346 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.122 19.006 3.311 1.00 0.00 H new ATOM 1228 N GLN A 78 -15.011 16.402 4.832 1.00 0.00 N ATOM 1229 CA GLN A 78 -14.005 15.596 4.154 1.00 0.00 C ATOM 1230 C GLN A 78 -14.780 14.516 3.394 1.00 0.00 C ATOM 1231 O GLN A 78 -15.397 13.644 4.005 1.00 0.00 O ATOM 1232 CB GLN A 78 -13.008 15.040 5.200 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.533 15.331 4.896 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.622 14.846 6.035 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.770 15.256 7.185 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.673 13.960 5.736 1.00 0.00 N ATOM 0 H GLN A 78 -15.644 15.833 5.394 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.397 16.158 3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.254 15.460 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.144 13.961 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.248 14.841 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.394 16.402 4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.566 13.632 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.054 13.610 6.467 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.838 14.642 2.063 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.692 13.832 1.192 1.00 0.00 C ATOM 1247 C ARG A 79 -15.035 12.495 0.830 1.00 0.00 C ATOM 1248 O ARG A 79 -13.830 12.323 1.005 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.008 14.632 -0.084 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.980 15.800 0.152 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.406 15.296 0.423 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.389 16.390 0.458 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.924 17.013 -0.606 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.528 16.733 -1.854 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.875 17.928 -0.410 1.00 0.00 N ATOM 0 H ARG A 79 -14.279 15.326 1.552 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.612 13.603 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.078 15.021 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.434 13.960 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.636 16.396 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.983 16.455 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.689 14.581 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.426 14.763 1.373 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.694 16.706 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.804 16.032 -2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.950 17.220 -2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.186 18.146 0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.291 18.410 -1.207 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.831 11.568 0.275 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.330 10.389 -0.427 1.00 0.00 C ATOM 1271 C HIS A 80 -14.585 10.786 -1.717 1.00 0.00 C ATOM 1272 O HIS A 80 -14.762 11.901 -2.210 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.508 9.456 -0.741 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.515 8.177 0.056 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.597 8.042 1.425 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.548 6.922 -0.480 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.670 6.727 1.696 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.652 6.003 0.565 1.00 0.00 N ATOM 0 H HIS A 80 -16.849 11.622 0.304 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.616 9.869 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.439 9.991 -0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.488 9.209 -1.802 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -16.601 8.800 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.502 6.682 -1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.734 6.309 2.690 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.772 9.875 -2.291 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.892 10.192 -3.408 1.00 0.00 C ATOM 1288 C PRO A 81 -13.618 10.181 -4.760 1.00 0.00 C ATOM 1289 O PRO A 81 -13.263 10.969 -5.635 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.797 9.122 -3.354 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.516 7.899 -2.784 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.562 8.504 -1.848 1.00 0.00 C ATOM 0 HA PRO A 81 -12.495 11.203 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.385 8.920 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.966 9.430 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.978 7.303 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.830 7.243 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.492 7.937 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.218 8.479 -0.814 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.622 9.303 -4.933 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.341 9.112 -6.193 1.00 0.00 C ATOM 1302 C TYR A 82 -16.859 8.991 -6.008 1.00 0.00 C ATOM 1303 O TYR A 82 -17.599 9.079 -6.986 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.783 7.881 -6.926 1.00 0.00 C ATOM 1305 CG TYR A 82 -13.290 7.928 -7.211 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -12.776 8.875 -8.119 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -12.413 7.036 -6.563 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -11.395 8.936 -8.375 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -11.030 7.090 -6.813 1.00 0.00 C ATOM 1310 CZ TYR A 82 -10.515 8.044 -7.723 1.00 0.00 C ATOM 1311 OH TYR A 82 -9.176 8.105 -7.975 1.00 0.00 O ATOM 0 H TYR A 82 -14.958 8.698 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.180 10.006 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.997 6.994 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.315 7.766 -7.870 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.446 9.557 -8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.805 6.306 -5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.007 9.665 -9.071 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.362 6.405 -6.312 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.712 7.424 -7.445 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.328 8.818 -4.766 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.739 8.772 -4.398 1.00 0.00 C ATOM 1323 C LYS A 83 -19.116 10.091 -3.703 1.00 0.00 C ATOM 1324 O LYS A 83 -18.234 10.766 -3.170 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.941 7.554 -3.482 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.779 6.232 -4.258 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.284 5.077 -3.377 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.221 4.743 -2.211 1.00 0.00 C ATOM 1329 NZ LYS A 83 -20.430 4.030 -2.665 1.00 0.00 N ATOM 0 H LYS A 83 -16.708 8.702 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.386 8.666 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.221 7.588 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.934 7.595 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.736 5.958 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.078 6.382 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.158 4.189 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.301 5.331 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.690 4.130 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.511 5.663 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.038 3.822 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.950 4.625 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.155 3.140 -3.127 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.412 10.451 -3.636 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.880 11.680 -2.988 1.00 0.00 C ATOM 1345 C PRO A 84 -20.824 11.623 -1.448 1.00 0.00 C ATOM 1346 O PRO A 84 -21.372 12.504 -0.791 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.310 11.871 -3.513 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.795 10.441 -3.735 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.535 9.736 -4.231 1.00 0.00 C ATOM 0 HA PRO A 84 -20.233 12.523 -3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.935 12.401 -2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.326 12.449 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.174 9.994 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.600 10.395 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.532 8.688 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.479 9.758 -5.319 1.00 0.00 H new ATOM 1357 N LYS A 85 -20.201 10.582 -0.876 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.171 10.245 0.543 1.00 0.00 C ATOM 1359 C LYS A 85 -19.142 11.099 1.304 1.00 0.00 C ATOM 1360 O LYS A 85 -18.622 12.082 0.776 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.916 8.725 0.646 1.00 0.00 C ATOM 1362 CG LYS A 85 -21.119 7.881 0.208 1.00 0.00 C ATOM 1363 CD LYS A 85 -22.254 7.876 1.245 1.00 0.00 C ATOM 1364 CE LYS A 85 -23.387 6.949 0.806 1.00 0.00 C ATOM 1365 NZ LYS A 85 -24.502 6.941 1.781 1.00 0.00 N ATOM 0 H LYS A 85 -19.672 9.913 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 85 -21.121 10.476 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.054 8.465 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.660 8.475 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.500 8.264 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.792 6.857 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.868 7.553 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.637 8.888 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.759 7.266 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -23.002 5.936 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -25.250 6.301 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -24.153 6.614 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.886 7.903 1.877 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.873 10.737 2.563 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.971 11.409 3.493 1.00 0.00 C ATOM 1381 C LEU A 86 -16.950 10.393 4.012 1.00 0.00 C ATOM 1382 O LEU A 86 -17.195 9.187 4.003 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.777 11.999 4.668 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.733 13.150 4.281 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.946 13.197 5.221 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -19.031 14.510 4.305 1.00 0.00 C ATOM 0 H LEU A 86 -19.309 9.915 2.982 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.452 12.222 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.359 11.201 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -18.080 12.362 5.423 1.00 0.00 H new ATOM 0 HG LEU A 86 -20.066 12.948 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.603 14.016 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.491 12.255 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.607 13.354 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.740 15.290 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.651 14.706 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.202 14.504 3.598 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.812 10.896 4.491 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.767 10.145 5.172 1.00 0.00 C ATOM 1400 C GLN A 87 -14.490 10.714 6.563 1.00 0.00 C ATOM 1401 O GLN A 87 -14.026 9.959 7.416 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.483 10.148 4.328 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.695 9.368 3.026 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.384 9.016 2.321 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.098 9.516 1.238 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.586 8.130 2.915 1.00 0.00 N ATOM 0 H GLN A 87 -15.587 11.887 4.408 1.00 0.00 H new ATOM 0 HA GLN A 87 -15.112 9.118 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.192 11.174 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.666 9.703 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.242 8.451 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.317 9.958 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.849 7.730 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.712 7.851 2.469 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.800 11.999 6.808 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.583 12.685 8.075 1.00 0.00 C ATOM 1417 C HIS A 88 -15.190 14.075 8.016 1.00 0.00 C ATOM 1418 O HIS A 88 -15.496 14.572 6.933 1.00 0.00 O ATOM 1419 CB HIS A 88 -13.085 12.755 8.365 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.751 13.403 9.668 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -12.033 14.558 9.833 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -13.054 12.904 10.902 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.897 14.731 11.157 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.512 13.763 11.852 1.00 0.00 N ATOM 0 H HIS A 88 -15.222 12.600 6.100 1.00 0.00 H new ATOM 0 HA HIS A 88 -15.068 12.134 8.881 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.676 11.745 8.357 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.594 13.304 7.561 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.673 15.165 9.097 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.614 12.003 11.104 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.358 15.551 11.608 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.412 14.677 9.190 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.963 16.011 9.337 1.00 0.00 C ATOM 1434 C ILE A 89 -15.325 16.650 10.569 1.00 0.00 C ATOM 1435 O ILE A 89 -15.082 15.993 11.580 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.510 15.958 9.421 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -18.093 15.314 8.145 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -18.093 17.367 9.610 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.591 15.096 8.148 1.00 0.00 C ATOM 0 H ILE A 89 -15.205 14.230 10.083 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.733 16.625 8.466 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.784 15.350 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.837 15.943 7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.604 14.352 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.180 17.306 9.666 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.705 17.801 10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.808 17.995 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.894 14.639 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.861 14.438 8.974 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -20.098 16.054 8.266 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.109 17.958 10.471 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.575 18.821 11.511 1.00 0.00 C ATOM 1453 C ASP A 90 -15.686 19.803 11.849 1.00 0.00 C ATOM 1454 O ASP A 90 -16.165 20.492 10.944 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.367 19.633 10.999 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.165 18.823 10.516 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -12.187 17.583 10.632 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.194 19.471 10.066 1.00 0.00 O ATOM 0 H ASP A 90 -15.315 18.470 9.613 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.250 18.224 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.704 20.268 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.035 20.295 11.799 1.00 0.00 H new ATOM 1463 N PHE A 91 -16.077 19.916 13.122 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.819 21.048 13.618 1.00 0.00 C ATOM 1465 C PHE A 91 -15.894 21.800 14.572 1.00 0.00 C ATOM 1466 O PHE A 91 -14.924 21.223 15.070 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.100 20.551 14.297 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.762 19.287 13.762 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.444 18.025 14.300 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.772 19.380 12.791 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -19.127 16.871 13.879 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.474 18.228 12.395 1.00 0.00 C ATOM 1473 CZ PHE A 91 -20.154 16.970 12.931 1.00 0.00 C ATOM 0 H PHE A 91 -15.879 19.211 13.832 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.132 21.725 12.823 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.875 20.387 15.351 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.834 21.355 14.250 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.666 17.943 15.045 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -20.010 20.336 12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.860 15.907 14.287 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.270 18.312 11.669 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.693 16.089 12.616 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.198 23.071 14.855 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.495 23.809 15.898 1.00 0.00 C ATOM 1485 C VAL A 92 -16.472 24.310 16.945 1.00 0.00 C ATOM 1486 O VAL A 92 -17.631 24.543 16.610 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.593 24.918 15.328 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.630 24.320 14.310 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.358 26.084 14.676 1.00 0.00 C ATOM 0 H VAL A 92 -16.924 23.604 14.376 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.813 23.121 16.398 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.060 25.338 16.181 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.992 25.106 13.907 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.012 23.564 14.794 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.196 23.861 13.499 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.648 26.821 14.301 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.960 25.707 13.849 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.008 26.551 15.415 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.988 24.462 18.189 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.754 24.806 19.387 1.00 0.00 C ATOM 1501 C ARG A 93 -17.572 26.081 19.161 1.00 0.00 C ATOM 1502 O ARG A 93 -17.073 27.193 19.343 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.823 25.001 20.600 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.999 23.792 21.058 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.800 22.698 21.770 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.881 21.815 22.516 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.442 22.038 23.770 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -14.996 22.989 24.529 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.426 21.327 24.266 1.00 0.00 N ATOM 0 H ARG A 93 -14.996 24.340 18.391 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.433 23.978 19.592 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.132 25.811 20.367 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.431 25.333 21.442 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.508 23.355 20.188 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.212 24.140 21.727 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.522 23.148 22.452 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.368 22.117 21.043 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.553 20.971 22.046 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.760 23.555 24.160 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.655 23.148 25.477 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.978 20.611 23.695 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.098 21.500 25.216 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.825 25.903 18.741 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.797 26.987 18.645 1.00 0.00 C ATOM 1525 C ALA A 94 -20.180 27.535 20.022 1.00 0.00 C ATOM 1526 O ALA A 94 -20.416 26.713 20.935 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.027 26.499 17.908 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.274 28.777 20.118 1.00 0.00 O ATOM 0 H ALA A 94 -19.194 24.996 18.457 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.338 27.806 18.091 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.753 27.309 17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.746 26.174 16.906 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.468 25.663 18.450 1.00 0.00 H new