USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 839 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 65 LYS NZ :NH3+ 136:sc= 0.492 (180deg=0) USER MOD Set 1.2: A 97 HIS :FLIP no HE2:sc=-0.00831 F(o=-0.81,f=0.48) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.011 (180deg=-0.183) USER MOD Single : A 23 SER OG : rot -27:sc= 0.994 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -160:sc= -0.962 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.0123 (180deg=-0.617) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.09 F(o=-2.6,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.56) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.221) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=-0.21) USER MOD Single : A 75 ASN : amide:sc= -3.88! C(o=-3.9!,f=-13!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -2.81 X(o=-2.8,f=-2.5) USER MOD Single : A 91 LYS NZ :NH3+ -141:sc= -5.19! (180deg=-5.95!) USER MOD Single : A 99 MET CE :methyl 157:sc= -0.123 (180deg=-0.864) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -17.653 -17.917 3.182 1.00 0.00 N ATOM 2 CA LYS A 15 -18.616 -19.025 2.926 1.00 0.00 C ATOM 3 C LYS A 15 -19.171 -18.845 1.513 1.00 0.00 C ATOM 4 O LYS A 15 -18.778 -17.910 0.815 1.00 0.00 O ATOM 5 CB LYS A 15 -19.727 -18.957 3.982 1.00 0.00 C ATOM 6 CG LYS A 15 -20.621 -20.201 3.913 1.00 0.00 C ATOM 7 CD LYS A 15 -21.648 -20.165 5.050 1.00 0.00 C ATOM 8 CE LYS A 15 -22.526 -21.422 5.020 1.00 0.00 C ATOM 9 NZ LYS A 15 -23.377 -21.432 3.798 1.00 0.00 N ATOM 0 HA LYS A 15 -18.140 -20.003 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.286 -18.875 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -20.329 -18.062 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -21.131 -20.241 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.013 -21.102 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.135 -20.095 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.272 -19.276 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.898 -22.313 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.155 -21.455 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.114 -22.159 3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.823 -20.500 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.789 -21.643 2.967 1.00 0.00 H new ATOM 23 N GLU A 16 -19.867 -19.860 1.011 1.00 0.00 N ATOM 24 CA GLU A 16 -20.403 -19.798 -0.347 1.00 0.00 C ATOM 25 C GLU A 16 -21.474 -18.711 -0.449 1.00 0.00 C ATOM 26 O GLU A 16 -21.544 -17.982 -1.441 1.00 0.00 O ATOM 27 CB GLU A 16 -20.980 -21.167 -0.728 1.00 0.00 C ATOM 28 CG GLU A 16 -21.466 -21.155 -2.184 1.00 0.00 C ATOM 29 CD GLU A 16 -22.009 -22.516 -2.621 1.00 0.00 C ATOM 30 OE1 GLU A 16 -22.225 -23.370 -1.777 1.00 0.00 O ATOM 31 OE2 GLU A 16 -22.218 -22.681 -3.813 1.00 0.00 O ATOM 0 H GLU A 16 -20.072 -20.724 1.514 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.601 -19.545 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.221 -21.938 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.807 -21.418 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -22.244 -20.401 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.643 -20.867 -2.838 1.00 0.00 H new ATOM 38 N ARG A 17 -22.286 -18.604 0.599 1.00 0.00 N ATOM 39 CA ARG A 17 -23.397 -17.658 0.637 1.00 0.00 C ATOM 40 C ARG A 17 -22.947 -16.198 0.571 1.00 0.00 C ATOM 41 O ARG A 17 -23.537 -15.405 -0.164 1.00 0.00 O ATOM 42 CB ARG A 17 -24.143 -17.877 1.954 1.00 0.00 C ATOM 43 CG ARG A 17 -25.372 -16.969 2.021 1.00 0.00 C ATOM 44 CD ARG A 17 -26.069 -17.200 3.363 1.00 0.00 C ATOM 45 NE ARG A 17 -27.337 -16.478 3.425 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.965 -16.266 4.580 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.426 -16.632 5.709 1.00 0.00 N ATOM 48 NH2 ARG A 17 -29.040 -15.534 4.607 1.00 0.00 N ATOM 0 H ARG A 17 -22.193 -19.169 1.443 1.00 0.00 H new ATOM 0 HA ARG A 17 -24.023 -17.838 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.447 -18.920 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.481 -17.668 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -25.078 -15.924 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -26.052 -17.189 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -26.246 -18.266 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.420 -16.873 4.175 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.752 -16.127 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.513 -17.086 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.917 -16.464 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.400 -15.124 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.523 -15.370 5.490 1.00 0.00 H new ATOM 62 N ILE A 18 -21.907 -15.862 1.328 1.00 0.00 N ATOM 63 CA ILE A 18 -21.425 -14.481 1.386 1.00 0.00 C ATOM 64 C ILE A 18 -20.826 -14.074 0.044 1.00 0.00 C ATOM 65 O ILE A 18 -20.804 -12.904 -0.298 1.00 0.00 O ATOM 66 CB ILE A 18 -20.451 -14.289 2.553 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.197 -12.791 2.768 1.00 0.00 C ATOM 68 CG2 ILE A 18 -19.125 -15.014 2.287 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.507 -12.569 4.115 1.00 0.00 C ATOM 0 H ILE A 18 -21.384 -16.519 1.906 1.00 0.00 H new ATOM 0 HA ILE A 18 -22.268 -13.817 1.576 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.896 -14.717 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.576 -12.399 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.140 -12.245 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.452 -14.862 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.312 -16.080 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.668 -14.616 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.329 -11.504 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.144 -12.944 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.556 -13.101 4.128 1.00 0.00 H new ATOM 81 N ASP A 19 -20.152 -15.038 -0.583 1.00 0.00 N ATOM 82 CA ASP A 19 -19.442 -14.827 -1.845 1.00 0.00 C ATOM 83 C ASP A 19 -20.431 -14.444 -2.952 1.00 0.00 C ATOM 84 O ASP A 19 -20.128 -13.613 -3.800 1.00 0.00 O ATOM 85 CB ASP A 19 -18.708 -16.117 -2.239 1.00 0.00 C ATOM 86 CG ASP A 19 -17.330 -16.237 -1.576 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.915 -15.314 -0.896 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.792 -17.323 -1.634 1.00 0.00 O ATOM 0 H ASP A 19 -20.083 -15.992 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.723 -14.018 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.317 -16.977 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.590 -16.147 -3.322 1.00 0.00 H new ATOM 93 N ILE A 20 -21.622 -15.035 -2.892 1.00 0.00 N ATOM 94 CA ILE A 20 -22.681 -14.725 -3.851 1.00 0.00 C ATOM 95 C ILE A 20 -23.104 -13.261 -3.722 1.00 0.00 C ATOM 96 O ILE A 20 -23.136 -12.530 -4.707 1.00 0.00 O ATOM 97 CB ILE A 20 -23.914 -15.608 -3.596 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.604 -17.067 -3.948 1.00 0.00 C ATOM 99 CG2 ILE A 20 -25.074 -15.119 -4.471 1.00 0.00 C ATOM 100 CD1 ILE A 20 -24.722 -17.979 -3.438 1.00 0.00 C ATOM 0 H ILE A 20 -21.878 -15.730 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.290 -14.914 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 20 -24.184 -15.544 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.500 -17.175 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -22.653 -17.362 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.951 -15.742 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.307 -14.084 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.790 -15.183 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -24.492 -19.014 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -24.805 -17.882 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.666 -17.692 -3.902 1.00 0.00 H new ATOM 112 N LEU A 21 -23.242 -12.808 -2.484 1.00 0.00 N ATOM 113 CA LEU A 21 -23.552 -11.408 -2.206 1.00 0.00 C ATOM 114 C LEU A 21 -22.438 -10.499 -2.710 1.00 0.00 C ATOM 115 O LEU A 21 -22.698 -9.372 -3.131 1.00 0.00 O ATOM 116 CB LEU A 21 -23.789 -11.189 -0.710 1.00 0.00 C ATOM 117 CG LEU A 21 -25.099 -11.877 -0.297 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.216 -11.903 1.232 1.00 0.00 C ATOM 119 CD2 LEU A 21 -26.293 -11.116 -0.887 1.00 0.00 C ATOM 0 H LEU A 21 -23.144 -13.390 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.469 -11.153 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.956 -11.593 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.840 -10.123 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.097 -12.899 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.147 -12.392 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.374 -12.453 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -25.210 -10.882 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -27.220 -11.608 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -26.291 -10.091 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -26.218 -11.107 -1.974 1.00 0.00 H new ATOM 131 N PHE A 22 -21.186 -10.913 -2.515 1.00 0.00 N ATOM 132 CA PHE A 22 -20.046 -10.105 -2.939 1.00 0.00 C ATOM 133 C PHE A 22 -20.072 -9.860 -4.448 1.00 0.00 C ATOM 134 O PHE A 22 -19.820 -8.740 -4.889 1.00 0.00 O ATOM 135 CB PHE A 22 -18.750 -10.827 -2.559 1.00 0.00 C ATOM 136 CG PHE A 22 -17.557 -10.027 -3.026 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.987 -9.069 -2.183 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.864 -10.437 -4.168 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.812 -8.410 -2.570 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.792 -9.675 -4.636 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.234 -8.688 -3.818 1.00 0.00 C ATOM 0 H PHE A 22 -20.938 -11.796 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.100 -9.139 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.705 -10.966 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.731 -11.820 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.451 -8.837 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.156 -11.339 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.353 -7.690 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.395 -9.847 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.362 -8.142 -4.145 1.00 0.00 H new ATOM 151 N SER A 23 -20.308 -10.906 -5.239 1.00 0.00 N ATOM 152 CA SER A 23 -20.359 -10.737 -6.691 1.00 0.00 C ATOM 153 C SER A 23 -21.498 -9.817 -7.098 1.00 0.00 C ATOM 154 O SER A 23 -21.344 -8.943 -7.958 1.00 0.00 O ATOM 155 CB SER A 23 -20.519 -12.093 -7.382 1.00 0.00 C ATOM 156 OG SER A 23 -21.711 -12.732 -6.945 1.00 0.00 O ATOM 0 H SER A 23 -20.464 -11.859 -4.909 1.00 0.00 H new ATOM 0 HA SER A 23 -19.419 -10.282 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.547 -11.957 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.658 -12.725 -7.162 1.00 0.00 H new ATOM 0 HG SER A 23 -21.939 -12.418 -6.045 1.00 0.00 H new ATOM 162 N LEU A 24 -22.638 -9.991 -6.438 1.00 0.00 N ATOM 163 CA LEU A 24 -23.809 -9.150 -6.663 1.00 0.00 C ATOM 164 C LEU A 24 -23.529 -7.701 -6.279 1.00 0.00 C ATOM 165 O LEU A 24 -23.901 -6.777 -6.997 1.00 0.00 O ATOM 166 CB LEU A 24 -24.983 -9.696 -5.848 1.00 0.00 C ATOM 167 CG LEU A 24 -25.433 -11.038 -6.436 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.427 -11.708 -5.486 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.101 -10.813 -7.796 1.00 0.00 C ATOM 0 H LEU A 24 -22.777 -10.716 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.056 -9.169 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.688 -9.824 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.810 -8.986 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.562 -11.680 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.746 -12.662 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.950 -11.878 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.295 -11.062 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.418 -11.771 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.969 -10.166 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.391 -10.342 -8.476 1.00 0.00 H new ATOM 181 N ALA A 25 -22.838 -7.527 -5.154 1.00 0.00 N ATOM 182 CA ALA A 25 -22.510 -6.195 -4.660 1.00 0.00 C ATOM 183 C ALA A 25 -21.602 -5.466 -5.642 1.00 0.00 C ATOM 184 O ALA A 25 -21.621 -4.242 -5.706 1.00 0.00 O ATOM 185 CB ALA A 25 -21.804 -6.294 -3.306 1.00 0.00 C ATOM 0 H ALA A 25 -22.496 -8.290 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.440 -5.637 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.564 -5.293 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.459 -6.789 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.885 -6.870 -3.416 1.00 0.00 H new ATOM 191 N GLU A 26 -20.672 -6.201 -6.242 1.00 0.00 N ATOM 192 CA GLU A 26 -19.770 -5.601 -7.217 1.00 0.00 C ATOM 193 C GLU A 26 -20.520 -5.156 -8.471 1.00 0.00 C ATOM 194 O GLU A 26 -20.025 -4.277 -9.165 1.00 0.00 O ATOM 195 CB GLU A 26 -18.669 -6.604 -7.581 1.00 0.00 C ATOM 196 CG GLU A 26 -17.659 -5.954 -8.535 1.00 0.00 C ATOM 197 CD GLU A 26 -16.516 -6.904 -8.888 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.148 -7.700 -8.038 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.827 -6.601 -9.848 1.00 0.00 O ATOM 0 H GLU A 26 -20.524 -7.196 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.321 -4.714 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.162 -6.943 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.109 -7.485 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.169 -5.644 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.253 -5.053 -8.075 1.00 0.00 H new ATOM 206 N ARG A 27 -21.452 -5.980 -8.954 1.00 0.00 N ATOM 207 CA ARG A 27 -22.220 -5.605 -10.141 1.00 0.00 C ATOM 208 C ARG A 27 -23.117 -4.389 -9.924 1.00 0.00 C ATOM 209 O ARG A 27 -23.041 -3.425 -10.681 1.00 0.00 O ATOM 210 CB ARG A 27 -23.095 -6.776 -10.591 1.00 0.00 C ATOM 211 CG ARG A 27 -23.840 -6.400 -11.877 1.00 0.00 C ATOM 212 CD ARG A 27 -24.742 -7.554 -12.325 1.00 0.00 C ATOM 213 NE ARG A 27 -25.477 -7.171 -13.529 1.00 0.00 N ATOM 214 CZ ARG A 27 -24.983 -7.345 -14.752 1.00 0.00 C ATOM 215 NH1 ARG A 27 -23.822 -7.915 -14.923 1.00 0.00 N ATOM 216 NH2 ARG A 27 -25.627 -6.856 -15.776 1.00 0.00 N ATOM 0 H ARG A 27 -21.689 -6.888 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.486 -5.344 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.479 -7.659 -10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.808 -7.032 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.439 -5.505 -11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.124 -6.162 -12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.141 -8.442 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.440 -7.812 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 27 -26.403 -6.755 -13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.285 -8.231 -14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -23.451 -8.044 -15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.499 -6.347 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -25.258 -6.983 -16.718 1.00 0.00 H new ATOM 230 N VAL A 28 -23.817 -4.355 -8.792 1.00 0.00 N ATOM 231 CA VAL A 28 -24.711 -3.238 -8.484 1.00 0.00 C ATOM 232 C VAL A 28 -23.889 -1.966 -8.302 1.00 0.00 C ATOM 233 O VAL A 28 -24.346 -0.861 -8.578 1.00 0.00 O ATOM 234 CB VAL A 28 -25.560 -3.557 -7.246 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.662 -3.762 -6.022 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.554 -2.427 -6.965 1.00 0.00 C ATOM 0 H VAL A 28 -23.784 -5.082 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.402 -3.079 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.114 -4.475 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.279 -3.987 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.979 -4.591 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.089 -2.854 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.146 -2.674 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.010 -1.499 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.215 -2.303 -7.822 1.00 0.00 H new ATOM 246 N PHE A 29 -22.746 -2.149 -7.656 1.00 0.00 N ATOM 247 CA PHE A 29 -21.917 -1.050 -7.189 1.00 0.00 C ATOM 248 C PHE A 29 -21.690 0.004 -8.280 1.00 0.00 C ATOM 249 O PHE A 29 -22.037 1.167 -8.081 1.00 0.00 O ATOM 250 CB PHE A 29 -20.628 -1.683 -6.654 1.00 0.00 C ATOM 251 CG PHE A 29 -19.466 -0.721 -6.625 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.597 0.455 -5.888 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.182 -1.250 -6.808 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.510 1.306 -5.768 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.063 -0.488 -6.475 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.225 0.811 -5.994 1.00 0.00 C ATOM 0 H PHE A 29 -22.367 -3.071 -7.440 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.405 -0.488 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.806 -2.060 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.367 -2.541 -7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.536 0.700 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.059 -2.246 -7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.656 2.343 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.072 -0.903 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.362 1.430 -5.798 1.00 0.00 H new ATOM 266 N PRO A 30 -21.123 -0.361 -9.442 1.00 0.00 N ATOM 267 CA PRO A 30 -21.011 0.576 -10.599 1.00 0.00 C ATOM 268 C PRO A 30 -22.343 1.076 -11.158 1.00 0.00 C ATOM 269 O PRO A 30 -22.393 2.183 -11.702 1.00 0.00 O ATOM 270 CB PRO A 30 -20.257 -0.238 -11.655 1.00 0.00 C ATOM 271 CG PRO A 30 -20.501 -1.664 -11.300 1.00 0.00 C ATOM 272 CD PRO A 30 -20.615 -1.700 -9.777 1.00 0.00 C ATOM 0 HA PRO A 30 -20.510 1.493 -10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.621 -0.014 -12.658 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.192 -0.006 -11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.413 -2.033 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.685 -2.298 -11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.296 -2.483 -9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.651 -1.894 -9.306 1.00 0.00 H new ATOM 280 N TYR A 31 -23.405 0.271 -11.088 1.00 0.00 N ATOM 281 CA TYR A 31 -24.728 0.761 -11.477 1.00 0.00 C ATOM 282 C TYR A 31 -25.224 1.908 -10.601 1.00 0.00 C ATOM 283 O TYR A 31 -25.612 2.958 -11.111 1.00 0.00 O ATOM 284 CB TYR A 31 -25.767 -0.364 -11.501 1.00 0.00 C ATOM 285 CG TYR A 31 -25.598 -1.210 -12.746 1.00 0.00 C ATOM 286 CD1 TYR A 31 -25.975 -0.675 -13.987 1.00 0.00 C ATOM 287 CD2 TYR A 31 -25.039 -2.497 -12.682 1.00 0.00 C ATOM 288 CE1 TYR A 31 -25.668 -1.361 -15.162 1.00 0.00 C ATOM 289 CE2 TYR A 31 -24.858 -3.236 -13.865 1.00 0.00 C ATOM 290 CZ TYR A 31 -25.242 -2.691 -15.096 1.00 0.00 C ATOM 291 OH TYR A 31 -25.294 -3.487 -16.225 1.00 0.00 O ATOM 0 H TYR A 31 -23.378 -0.699 -10.774 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.606 1.151 -12.488 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.659 -0.987 -10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.771 0.059 -11.474 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.502 0.267 -14.032 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -24.750 -2.917 -11.730 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -25.759 -0.867 -16.118 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -24.423 -4.224 -13.824 1.00 0.00 H new ATOM 0 HH TYR A 31 -24.961 -4.383 -16.009 1.00 0.00 H new ATOM 301 N SER A 32 -25.064 1.765 -9.289 1.00 0.00 N ATOM 302 CA SER A 32 -25.626 2.721 -8.337 1.00 0.00 C ATOM 303 C SER A 32 -24.968 2.525 -6.978 1.00 0.00 C ATOM 304 O SER A 32 -25.018 1.430 -6.412 1.00 0.00 O ATOM 305 CB SER A 32 -27.141 2.553 -8.180 1.00 0.00 C ATOM 306 OG SER A 32 -27.718 2.131 -9.405 1.00 0.00 O ATOM 0 H SER A 32 -24.550 0.996 -8.859 1.00 0.00 H new ATOM 0 HA SER A 32 -25.433 3.722 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.354 1.823 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.588 3.496 -7.865 1.00 0.00 H new ATOM 0 HG SER A 32 -28.678 2.328 -9.399 1.00 0.00 H new ATOM 312 N PRO A 33 -24.314 3.564 -6.453 1.00 0.00 N ATOM 313 CA PRO A 33 -23.824 3.553 -5.046 1.00 0.00 C ATOM 314 C PRO A 33 -24.944 3.252 -4.052 1.00 0.00 C ATOM 315 O PRO A 33 -24.769 2.424 -3.161 1.00 0.00 O ATOM 316 CB PRO A 33 -23.259 4.964 -4.851 1.00 0.00 C ATOM 317 CG PRO A 33 -22.921 5.433 -6.225 1.00 0.00 C ATOM 318 CD PRO A 33 -23.988 4.831 -7.134 1.00 0.00 C ATOM 0 HA PRO A 33 -23.084 2.773 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.989 5.620 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.378 4.952 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.926 6.522 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.924 5.104 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.859 5.480 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.613 4.664 -8.144 1.00 0.00 H new ATOM 326 N GLU A 34 -26.133 3.800 -4.313 1.00 0.00 N ATOM 327 CA GLU A 34 -27.257 3.657 -3.389 1.00 0.00 C ATOM 328 C GLU A 34 -27.757 2.219 -3.291 1.00 0.00 C ATOM 329 O GLU A 34 -28.092 1.752 -2.201 1.00 0.00 O ATOM 330 CB GLU A 34 -28.409 4.560 -3.837 1.00 0.00 C ATOM 331 CG GLU A 34 -28.018 6.031 -3.653 1.00 0.00 C ATOM 332 CD GLU A 34 -29.102 6.981 -4.166 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.180 6.521 -4.511 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.880 8.178 -4.086 1.00 0.00 O ATOM 0 H GLU A 34 -26.340 4.343 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.900 3.949 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.650 4.366 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.305 4.337 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.834 6.228 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.085 6.227 -4.181 1.00 0.00 H new ATOM 341 N LEU A 35 -27.889 1.556 -4.435 1.00 0.00 N ATOM 342 CA LEU A 35 -28.278 0.150 -4.450 1.00 0.00 C ATOM 343 C LEU A 35 -27.225 -0.719 -3.773 1.00 0.00 C ATOM 344 O LEU A 35 -27.526 -1.377 -2.780 1.00 0.00 O ATOM 345 CB LEU A 35 -28.547 -0.327 -5.878 1.00 0.00 C ATOM 346 CG LEU A 35 -29.819 0.339 -6.418 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.958 0.017 -7.907 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.054 -0.169 -5.665 1.00 0.00 C ATOM 0 H LEU A 35 -27.734 1.965 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.204 0.053 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.699 -0.084 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.658 -1.411 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.745 1.417 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.860 0.487 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.089 0.397 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.024 -1.063 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -31.947 0.315 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.139 -1.248 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -30.956 0.065 -4.605 1.00 0.00 H new ATOM 360 N ALA A 36 -25.964 -0.412 -4.061 1.00 0.00 N ATOM 361 CA ALA A 36 -24.838 -1.148 -3.491 1.00 0.00 C ATOM 362 C ALA A 36 -24.832 -1.006 -1.974 1.00 0.00 C ATOM 363 O ALA A 36 -24.365 -1.887 -1.255 1.00 0.00 O ATOM 364 CB ALA A 36 -23.524 -0.619 -4.068 1.00 0.00 C ATOM 0 H ALA A 36 -25.694 0.345 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 36 -24.941 -2.203 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.689 -1.172 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.525 -0.746 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.420 0.439 -3.827 1.00 0.00 H new ATOM 370 N LYS A 37 -25.241 0.173 -1.519 1.00 0.00 N ATOM 371 CA LYS A 37 -25.270 0.487 -0.098 1.00 0.00 C ATOM 372 C LYS A 37 -26.199 -0.499 0.605 1.00 0.00 C ATOM 373 O LYS A 37 -25.751 -1.236 1.487 1.00 0.00 O ATOM 374 CB LYS A 37 -25.842 1.905 0.016 1.00 0.00 C ATOM 375 CG LYS A 37 -25.499 2.633 1.323 1.00 0.00 C ATOM 376 CD LYS A 37 -26.138 1.965 2.547 1.00 0.00 C ATOM 377 CE LYS A 37 -25.792 2.775 3.803 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.434 2.172 5.005 1.00 0.00 N ATOM 0 H LYS A 37 -25.559 0.932 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.281 0.422 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.475 2.498 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.926 1.853 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.417 2.658 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.836 3.668 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.219 1.909 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -25.776 0.942 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.711 2.805 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.127 3.805 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.593 2.910 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.345 1.749 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -25.813 1.436 5.398 1.00 0.00 H new ATOM 392 N ARG A 38 -27.373 -0.715 0.016 1.00 0.00 N ATOM 393 CA ARG A 38 -28.315 -1.690 0.550 1.00 0.00 C ATOM 394 C ARG A 38 -27.789 -3.126 0.493 1.00 0.00 C ATOM 395 O ARG A 38 -27.813 -3.830 1.503 1.00 0.00 O ATOM 396 CB ARG A 38 -29.623 -1.590 -0.238 1.00 0.00 C ATOM 397 CG ARG A 38 -30.317 -0.268 0.103 1.00 0.00 C ATOM 398 CD ARG A 38 -31.609 -0.119 -0.704 1.00 0.00 C ATOM 399 NE ARG A 38 -32.278 1.143 -0.390 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.186 1.252 0.576 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.271 0.331 1.496 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.758 2.408 0.763 1.00 0.00 N ATOM 0 H ARG A 38 -27.691 -0.232 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.470 -1.456 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.422 -1.643 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.274 -2.430 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.541 -0.232 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.649 0.566 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.384 -0.160 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.276 -0.953 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.039 1.973 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -32.642 -0.471 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -33.967 0.413 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.506 3.203 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.458 2.518 1.497 1.00 0.00 H new ATOM 416 N TYR A 39 -27.209 -3.522 -0.648 1.00 0.00 N ATOM 417 CA TYR A 39 -26.724 -4.892 -0.825 1.00 0.00 C ATOM 418 C TYR A 39 -25.576 -5.281 0.106 1.00 0.00 C ATOM 419 O TYR A 39 -25.432 -6.459 0.434 1.00 0.00 O ATOM 420 CB TYR A 39 -26.324 -5.157 -2.280 1.00 0.00 C ATOM 421 CG TYR A 39 -27.555 -5.228 -3.159 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.394 -6.350 -3.081 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.920 -4.141 -3.963 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.598 -6.379 -3.796 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.045 -4.244 -4.793 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.912 -5.336 -4.673 1.00 0.00 C ATOM 427 OH TYR A 39 -31.057 -5.398 -5.444 1.00 0.00 O ATOM 0 H TYR A 39 -27.066 -2.916 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.570 -5.523 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.662 -4.366 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.767 -6.091 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.111 -7.193 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.339 -3.231 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.282 -7.205 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.243 -3.478 -5.528 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.124 -4.591 -5.996 1.00 0.00 H new ATOM 437 N VAL A 40 -24.589 -4.395 0.219 1.00 0.00 N ATOM 438 CA VAL A 40 -23.428 -4.631 1.076 1.00 0.00 C ATOM 439 C VAL A 40 -23.837 -4.700 2.545 1.00 0.00 C ATOM 440 O VAL A 40 -23.315 -5.503 3.312 1.00 0.00 O ATOM 441 CB VAL A 40 -22.374 -3.548 0.844 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.267 -3.638 1.899 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.750 -3.737 -0.542 1.00 0.00 C ATOM 0 H VAL A 40 -24.570 -3.503 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.992 -5.595 0.813 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.856 -2.573 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.527 -2.859 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.698 -3.504 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.787 -4.615 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.998 -2.966 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.282 -4.720 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.526 -3.660 -1.304 1.00 0.00 H new ATOM 453 N GLU A 41 -24.696 -3.764 2.934 1.00 0.00 N ATOM 454 CA GLU A 41 -25.082 -3.571 4.329 1.00 0.00 C ATOM 455 C GLU A 41 -25.829 -4.815 4.800 1.00 0.00 C ATOM 456 O GLU A 41 -25.453 -5.421 5.802 1.00 0.00 O ATOM 457 CB GLU A 41 -25.992 -2.338 4.421 1.00 0.00 C ATOM 458 CG GLU A 41 -26.336 -2.021 5.882 1.00 0.00 C ATOM 459 CD GLU A 41 -27.230 -0.785 5.991 1.00 0.00 C ATOM 460 OE1 GLU A 41 -28.151 -0.715 5.192 1.00 0.00 O ATOM 461 OE2 GLU A 41 -27.319 -0.289 7.103 1.00 0.00 O ATOM 0 H GLU A 41 -25.146 -3.115 2.289 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.205 -3.416 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.497 -1.481 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.908 -2.514 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.839 -2.876 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.418 -1.858 6.446 1.00 0.00 H new ATOM 468 N LEU A 42 -26.534 -5.389 3.832 1.00 0.00 N ATOM 469 CA LEU A 42 -27.020 -6.762 3.910 1.00 0.00 C ATOM 470 C LEU A 42 -25.903 -7.796 4.026 1.00 0.00 C ATOM 471 O LEU A 42 -25.989 -8.680 4.878 1.00 0.00 O ATOM 472 CB LEU A 42 -27.827 -6.989 2.628 1.00 0.00 C ATOM 473 CG LEU A 42 -28.263 -8.446 2.434 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.215 -8.918 3.537 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.969 -8.539 1.079 1.00 0.00 C ATOM 0 H LEU A 42 -26.786 -4.913 2.966 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.617 -6.890 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.711 -6.352 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.229 -6.679 1.771 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.383 -9.087 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.496 -9.956 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.718 -8.840 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.109 -8.295 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.294 -9.565 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.836 -7.879 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.281 -8.239 0.289 1.00 0.00 H new ATOM 487 N ALA A 43 -24.832 -7.659 3.246 1.00 0.00 N ATOM 488 CA ALA A 43 -23.751 -8.639 3.318 1.00 0.00 C ATOM 489 C ALA A 43 -23.066 -8.624 4.685 1.00 0.00 C ATOM 490 O ALA A 43 -22.688 -9.678 5.192 1.00 0.00 O ATOM 491 CB ALA A 43 -22.714 -8.394 2.218 1.00 0.00 C ATOM 0 H ALA A 43 -24.691 -6.903 2.576 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.201 -9.621 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.920 -9.137 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.193 -8.473 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.290 -7.397 2.334 1.00 0.00 H new ATOM 497 N LEU A 44 -22.858 -7.434 5.250 1.00 0.00 N ATOM 498 CA LEU A 44 -22.253 -7.310 6.578 1.00 0.00 C ATOM 499 C LEU A 44 -23.112 -7.938 7.674 1.00 0.00 C ATOM 500 O LEU A 44 -22.583 -8.572 8.585 1.00 0.00 O ATOM 501 CB LEU A 44 -21.954 -5.842 6.907 1.00 0.00 C ATOM 502 CG LEU A 44 -20.617 -5.408 6.286 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.649 -5.541 4.760 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.341 -3.944 6.647 1.00 0.00 C ATOM 0 H LEU A 44 -23.098 -6.545 4.811 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.315 -7.864 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.758 -5.209 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.920 -5.706 7.988 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.833 -6.055 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.690 -5.227 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.838 -6.580 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.441 -4.911 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.393 -3.633 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.143 -3.316 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.290 -3.840 7.731 1.00 0.00 H new ATOM 516 N LEU A 45 -24.425 -7.728 7.604 1.00 0.00 N ATOM 517 CA LEU A 45 -25.350 -8.339 8.557 1.00 0.00 C ATOM 518 C LEU A 45 -25.295 -9.860 8.433 1.00 0.00 C ATOM 519 O LEU A 45 -25.333 -10.578 9.427 1.00 0.00 O ATOM 520 CB LEU A 45 -26.776 -7.824 8.326 1.00 0.00 C ATOM 521 CG LEU A 45 -27.746 -8.434 9.350 1.00 0.00 C ATOM 522 CD1 LEU A 45 -28.932 -7.489 9.562 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.270 -9.788 8.853 1.00 0.00 C ATOM 0 H LEU A 45 -24.872 -7.141 6.899 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.051 -8.062 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.793 -6.737 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.100 -8.076 7.316 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.212 -8.579 10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -29.618 -7.924 10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -28.571 -6.530 9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -29.452 -7.340 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.955 -10.206 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.794 -9.650 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -27.433 -10.471 8.708 1.00 0.00 H new ATOM 535 N VAL A 46 -25.244 -10.335 7.195 1.00 0.00 N ATOM 536 CA VAL A 46 -25.060 -11.754 6.924 1.00 0.00 C ATOM 537 C VAL A 46 -23.713 -12.221 7.473 1.00 0.00 C ATOM 538 O VAL A 46 -23.603 -13.324 7.999 1.00 0.00 O ATOM 539 CB VAL A 46 -25.175 -11.997 5.417 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.781 -13.437 5.072 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.625 -11.755 4.984 1.00 0.00 C ATOM 0 H VAL A 46 -25.328 -9.755 6.360 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.835 -12.335 7.424 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.503 -11.315 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.869 -13.591 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.751 -13.616 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.442 -14.130 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.718 -11.926 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.283 -12.440 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.907 -10.727 5.214 1.00 0.00 H new ATOM 551 N GLN A 47 -22.675 -11.423 7.240 1.00 0.00 N ATOM 552 CA GLN A 47 -21.306 -11.840 7.519 1.00 0.00 C ATOM 553 C GLN A 47 -21.102 -12.122 9.008 1.00 0.00 C ATOM 554 O GLN A 47 -20.469 -13.114 9.365 1.00 0.00 O ATOM 555 CB GLN A 47 -20.374 -10.702 7.088 1.00 0.00 C ATOM 556 CG GLN A 47 -18.907 -11.092 7.287 1.00 0.00 C ATOM 557 CD GLN A 47 -17.999 -9.924 6.910 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.797 -10.165 6.464 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -18.286 -8.781 7.279 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.757 -10.481 6.857 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.091 -12.759 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.551 -10.459 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.598 -9.805 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.736 -11.376 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.667 -11.962 6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.222 -8.578 7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.587 -8.040 7.233 1.00 0.00 H new ATOM 568 N GLN A 48 -21.640 -11.266 9.874 1.00 0.00 N ATOM 569 CA GLN A 48 -21.592 -11.520 11.313 1.00 0.00 C ATOM 570 C GLN A 48 -22.420 -12.742 11.708 1.00 0.00 C ATOM 571 O GLN A 48 -21.956 -13.577 12.484 1.00 0.00 O ATOM 572 CB GLN A 48 -22.023 -10.279 12.104 1.00 0.00 C ATOM 573 CG GLN A 48 -23.484 -9.920 11.812 1.00 0.00 C ATOM 574 CD GLN A 48 -23.884 -8.658 12.571 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.064 -7.765 12.770 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.041 -8.618 13.171 1.00 0.00 N ATOM 0 H GLN A 48 -22.109 -10.400 9.609 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.556 -11.742 11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.896 -10.462 13.171 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.380 -9.438 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.620 -9.767 10.741 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.133 -10.747 12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.725 -9.357 13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.262 -7.848 13.802 1.00 0.00 H new ATOM 585 N LYS A 49 -23.594 -12.895 11.103 1.00 0.00 N ATOM 586 CA LYS A 49 -24.432 -14.065 11.353 1.00 0.00 C ATOM 587 C LYS A 49 -23.739 -15.348 10.901 1.00 0.00 C ATOM 588 O LYS A 49 -23.888 -16.395 11.529 1.00 0.00 O ATOM 589 CB LYS A 49 -25.765 -13.919 10.617 1.00 0.00 C ATOM 590 CG LYS A 49 -26.586 -12.739 11.156 1.00 0.00 C ATOM 591 CD LYS A 49 -27.011 -12.967 12.611 1.00 0.00 C ATOM 592 CE LYS A 49 -27.828 -11.765 13.092 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.260 -11.985 14.501 1.00 0.00 N ATOM 0 H LYS A 49 -23.986 -12.227 10.439 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.609 -14.128 12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.579 -13.777 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.340 -14.839 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.998 -11.824 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.471 -12.597 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.602 -13.879 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.132 -13.101 13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.231 -10.856 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.699 -11.625 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -28.815 -11.167 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.845 -12.843 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.423 -12.098 15.107 1.00 0.00 H new ATOM 607 N ALA A 50 -23.098 -15.280 9.737 1.00 0.00 N ATOM 608 CA ALA A 50 -22.342 -16.408 9.202 1.00 0.00 C ATOM 609 C ALA A 50 -21.037 -16.612 9.966 1.00 0.00 C ATOM 610 O ALA A 50 -20.373 -17.637 9.808 1.00 0.00 O ATOM 611 CB ALA A 50 -22.052 -16.166 7.719 1.00 0.00 C ATOM 0 H ALA A 50 -23.088 -14.450 9.144 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.939 -17.312 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.487 -17.007 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.992 -16.067 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.470 -15.251 7.607 1.00 0.00 H new ATOM 617 N LYS A 51 -20.667 -15.623 10.776 1.00 0.00 N ATOM 618 CA LYS A 51 -19.481 -15.729 11.622 1.00 0.00 C ATOM 619 C LYS A 51 -18.241 -16.055 10.792 1.00 0.00 C ATOM 620 O LYS A 51 -17.422 -16.882 11.193 1.00 0.00 O ATOM 621 CB LYS A 51 -19.696 -16.785 12.715 1.00 0.00 C ATOM 622 CG LYS A 51 -19.082 -16.284 14.025 1.00 0.00 C ATOM 623 CD LYS A 51 -19.423 -17.253 15.161 1.00 0.00 C ATOM 624 CE LYS A 51 -18.802 -16.755 16.470 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.146 -17.688 17.579 1.00 0.00 N ATOM 0 H LYS A 51 -21.170 -14.740 10.864 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.318 -14.763 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.761 -16.977 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.237 -17.729 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.000 -16.197 13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.461 -15.289 14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.505 -17.336 15.269 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.049 -18.250 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.719 -16.683 16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.167 -15.754 16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.722 -17.346 18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.180 -17.735 17.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.777 -18.636 17.362 1.00 0.00 H new ATOM 639 N VAL A 52 -17.965 -15.202 9.809 1.00 0.00 N ATOM 640 CA VAL A 52 -16.742 -15.333 9.023 1.00 0.00 C ATOM 641 C VAL A 52 -15.865 -14.096 9.183 1.00 0.00 C ATOM 642 O VAL A 52 -16.337 -12.964 9.063 1.00 0.00 O ATOM 643 CB VAL A 52 -17.070 -15.555 7.542 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.618 -16.970 7.349 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.118 -14.543 7.064 1.00 0.00 C ATOM 0 H VAL A 52 -18.564 -14.421 9.540 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.195 -16.200 9.393 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.158 -15.423 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.852 -17.129 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.871 -17.696 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.523 -17.094 7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.338 -14.717 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.030 -14.660 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.732 -13.532 7.192 1.00 0.00 H new ATOM 655 N LYS A 53 -14.586 -14.330 9.471 1.00 0.00 N ATOM 656 CA LYS A 53 -13.624 -13.240 9.573 1.00 0.00 C ATOM 657 C LYS A 53 -12.843 -13.133 8.268 1.00 0.00 C ATOM 658 O LYS A 53 -11.999 -13.990 7.987 1.00 0.00 O ATOM 659 CB LYS A 53 -12.657 -13.517 10.731 1.00 0.00 C ATOM 660 CG LYS A 53 -13.412 -13.606 12.063 1.00 0.00 C ATOM 661 CD LYS A 53 -14.056 -12.262 12.416 1.00 0.00 C ATOM 662 CE LYS A 53 -14.795 -12.376 13.753 1.00 0.00 C ATOM 663 NZ LYS A 53 -15.396 -11.057 14.097 1.00 0.00 N ATOM 0 H LYS A 53 -14.196 -15.258 9.636 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.150 -12.304 9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.122 -14.449 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.910 -12.725 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.180 -14.377 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.726 -13.905 12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.292 -11.487 12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.750 -11.964 11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.573 -13.137 13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.106 -12.690 14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.899 -11.131 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.644 -10.343 14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.065 -10.776 13.352 1.00 0.00 H new ATOM 677 N ILE A 54 -12.887 -11.945 7.670 1.00 0.00 N ATOM 678 CA ILE A 54 -12.067 -11.648 6.500 1.00 0.00 C ATOM 679 C ILE A 54 -11.633 -10.184 6.534 1.00 0.00 C ATOM 680 O ILE A 54 -12.448 -9.288 6.312 1.00 0.00 O ATOM 681 CB ILE A 54 -12.879 -11.927 5.227 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.347 -11.534 5.448 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.806 -13.420 4.893 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.106 -11.518 4.119 1.00 0.00 C ATOM 0 H ILE A 54 -13.481 -11.174 7.976 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.179 -12.279 6.506 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.466 -11.342 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.818 -12.238 6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.400 -10.550 5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.382 -13.619 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.767 -13.706 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.217 -13.998 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.144 -11.237 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.645 -10.796 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.070 -12.509 3.668 1.00 0.00 H new ATOM 696 N PRO A 55 -10.364 -9.909 6.881 1.00 0.00 N ATOM 697 CA PRO A 55 -9.828 -8.521 6.881 1.00 0.00 C ATOM 698 C PRO A 55 -9.732 -7.893 5.492 1.00 0.00 C ATOM 699 O PRO A 55 -9.239 -6.763 5.411 1.00 0.00 O ATOM 700 CB PRO A 55 -8.449 -8.649 7.530 1.00 0.00 C ATOM 701 CG PRO A 55 -8.036 -10.073 7.365 1.00 0.00 C ATOM 702 CD PRO A 55 -9.300 -10.901 7.118 1.00 0.00 C ATOM 0 HA PRO A 55 -10.498 -7.850 7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.732 -7.979 7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.489 -8.376 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.343 -10.175 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.516 -10.426 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.178 -11.562 6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.532 -11.532 7.976 1.00 0.00 H new ATOM 710 N ARG A 56 -9.670 -8.747 4.468 1.00 0.00 N ATOM 711 CA ARG A 56 -9.400 -8.257 3.119 1.00 0.00 C ATOM 712 C ARG A 56 -10.647 -8.239 2.237 1.00 0.00 C ATOM 713 O ARG A 56 -10.896 -7.239 1.564 1.00 0.00 O ATOM 714 CB ARG A 56 -8.284 -9.095 2.490 1.00 0.00 C ATOM 715 CG ARG A 56 -6.986 -8.779 3.242 1.00 0.00 C ATOM 716 CD ARG A 56 -5.815 -9.614 2.718 1.00 0.00 C ATOM 717 NE ARG A 56 -4.601 -9.263 3.455 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.267 -9.863 4.597 1.00 0.00 C ATOM 719 NH1 ARG A 56 -5.026 -10.787 5.119 1.00 0.00 N ATOM 720 NH2 ARG A 56 -3.173 -9.516 5.218 1.00 0.00 N ATOM 0 H ARG A 56 -9.800 -9.756 4.544 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.076 -7.219 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.518 -10.157 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.180 -8.860 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.753 -7.719 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.125 -8.972 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.030 -10.676 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.672 -9.433 1.653 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.991 -8.536 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.891 -11.061 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.755 -11.236 5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.575 -8.787 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.916 -9.974 6.092 1.00 0.00 H new ATOM 734 N LYS A 57 -11.347 -9.370 2.126 1.00 0.00 N ATOM 735 CA LYS A 57 -12.309 -9.519 1.031 1.00 0.00 C ATOM 736 C LYS A 57 -13.482 -8.542 1.110 1.00 0.00 C ATOM 737 O LYS A 57 -14.024 -8.188 0.068 1.00 0.00 O ATOM 738 CB LYS A 57 -12.860 -10.945 0.918 1.00 0.00 C ATOM 739 CG LYS A 57 -11.764 -11.894 0.432 1.00 0.00 C ATOM 740 CD LYS A 57 -12.329 -13.311 0.266 1.00 0.00 C ATOM 741 CE LYS A 57 -12.648 -13.937 1.627 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.992 -15.380 1.461 1.00 0.00 N ATOM 0 H LYS A 57 -11.272 -10.169 2.755 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.730 -9.286 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.236 -11.276 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.702 -10.964 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.361 -11.541 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.939 -11.904 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.232 -13.277 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.609 -13.934 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.791 -13.834 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.480 -13.408 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.207 -15.795 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.823 -15.470 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.187 -15.882 1.035 1.00 0.00 H new ATOM 756 N TRP A 58 -14.067 -8.363 2.298 1.00 0.00 N ATOM 757 CA TRP A 58 -15.044 -7.285 2.468 1.00 0.00 C ATOM 758 C TRP A 58 -14.478 -6.040 3.137 1.00 0.00 C ATOM 759 O TRP A 58 -14.752 -4.939 2.678 1.00 0.00 O ATOM 760 CB TRP A 58 -16.250 -7.775 3.282 1.00 0.00 C ATOM 761 CG TRP A 58 -17.381 -8.070 2.351 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.771 -9.299 1.948 1.00 0.00 C ATOM 763 CD2 TRP A 58 -18.107 -7.122 1.520 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.832 -9.161 1.074 1.00 0.00 N ATOM 765 CE2 TRP A 58 -19.047 -7.839 0.736 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.876 -5.773 1.211 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.702 -7.231 -0.338 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.489 -5.185 0.097 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.316 -5.947 -0.736 1.00 0.00 C ATOM 0 H TRP A 58 -13.890 -8.928 3.129 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.344 -7.004 1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.985 -8.669 3.846 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.547 -7.017 4.007 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.327 -10.234 2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.388 -9.940 0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.221 -5.184 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.498 -7.747 -0.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -18.323 -4.140 -0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.654 -5.546 -1.680 1.00 0.00 H new ATOM 780 N LYS A 59 -13.532 -6.224 4.049 1.00 0.00 N ATOM 781 CA LYS A 59 -13.102 -5.120 4.898 1.00 0.00 C ATOM 782 C LYS A 59 -12.443 -4.011 4.073 1.00 0.00 C ATOM 783 O LYS A 59 -12.442 -2.851 4.491 1.00 0.00 O ATOM 784 CB LYS A 59 -12.132 -5.660 5.949 1.00 0.00 C ATOM 785 CG LYS A 59 -12.013 -4.678 7.117 1.00 0.00 C ATOM 786 CD LYS A 59 -11.162 -5.309 8.226 1.00 0.00 C ATOM 787 CE LYS A 59 -11.089 -4.399 9.458 1.00 0.00 C ATOM 788 NZ LYS A 59 -10.447 -3.104 9.094 1.00 0.00 N ATOM 0 H LYS A 59 -13.055 -7.110 4.219 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.972 -4.683 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.480 -6.627 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.152 -5.822 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.558 -3.747 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.003 -4.429 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.585 -6.273 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.156 -5.499 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.091 -4.221 9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.520 -4.888 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.215 -2.576 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.576 -3.287 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.101 -2.544 8.511 1.00 0.00 H new ATOM 802 N ARG A 60 -11.557 -4.437 3.172 1.00 0.00 N ATOM 803 CA ARG A 60 -10.794 -3.510 2.337 1.00 0.00 C ATOM 804 C ARG A 60 -11.605 -2.972 1.159 1.00 0.00 C ATOM 805 O ARG A 60 -11.115 -2.122 0.418 1.00 0.00 O ATOM 806 CB ARG A 60 -9.503 -4.184 1.865 1.00 0.00 C ATOM 807 CG ARG A 60 -8.634 -4.513 3.086 1.00 0.00 C ATOM 808 CD ARG A 60 -8.141 -3.227 3.764 1.00 0.00 C ATOM 809 NE ARG A 60 -7.273 -3.534 4.901 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.269 -2.802 6.016 1.00 0.00 C ATOM 811 NH1 ARG A 60 -7.907 -1.667 6.066 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.447 -3.093 6.985 1.00 0.00 N ATOM 0 H ARG A 60 -11.350 -5.421 3.002 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.543 -2.643 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.734 -5.094 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.962 -3.526 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.207 -5.108 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.781 -5.118 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.599 -2.616 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.995 -2.639 4.102 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.648 -4.338 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.415 -1.331 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.898 -1.114 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.806 -3.881 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.445 -2.533 7.837 1.00 0.00 H new ATOM 826 N ARG A 61 -12.660 -3.701 0.808 1.00 0.00 N ATOM 827 CA ARG A 61 -13.386 -3.457 -0.437 1.00 0.00 C ATOM 828 C ARG A 61 -14.632 -2.599 -0.220 1.00 0.00 C ATOM 829 O ARG A 61 -15.578 -2.707 -0.999 1.00 0.00 O ATOM 830 CB ARG A 61 -13.710 -4.764 -1.173 1.00 0.00 C ATOM 831 CG ARG A 61 -12.401 -5.363 -1.704 1.00 0.00 C ATOM 832 CD ARG A 61 -12.653 -6.691 -2.425 1.00 0.00 C ATOM 833 NE ARG A 61 -11.386 -7.231 -2.912 1.00 0.00 N ATOM 834 CZ ARG A 61 -11.279 -8.418 -3.502 1.00 0.00 C ATOM 835 NH1 ARG A 61 -12.247 -9.281 -3.408 1.00 0.00 N ATOM 836 NH2 ARG A 61 -10.107 -8.827 -3.896 1.00 0.00 N ATOM 0 H ARG A 61 -13.033 -4.467 1.368 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.721 -2.883 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.202 -5.466 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.400 -4.574 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.927 -4.659 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.708 -5.520 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.126 -7.401 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.340 -6.540 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.542 -6.670 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.089 -9.048 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.164 -10.191 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.286 -8.239 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.010 -9.735 -4.350 1.00 0.00 H new ATOM 850 N TYR A 62 -14.770 -2.027 0.976 1.00 0.00 N ATOM 851 CA TYR A 62 -15.983 -1.280 1.302 1.00 0.00 C ATOM 852 C TYR A 62 -15.662 -0.097 2.210 1.00 0.00 C ATOM 853 O TYR A 62 -14.528 0.053 2.658 1.00 0.00 O ATOM 854 CB TYR A 62 -16.996 -2.217 1.972 1.00 0.00 C ATOM 855 CG TYR A 62 -16.775 -2.349 3.466 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.481 -2.549 3.979 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.747 -1.805 4.318 1.00 0.00 C ATOM 858 CE1 TYR A 62 -15.255 -2.409 5.357 1.00 0.00 C ATOM 859 CE2 TYR A 62 -17.587 -1.917 5.701 1.00 0.00 C ATOM 860 CZ TYR A 62 -16.347 -2.295 6.223 1.00 0.00 C ATOM 861 OH TYR A 62 -16.139 -2.248 7.587 1.00 0.00 O ATOM 0 H TYR A 62 -14.073 -2.065 1.720 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.415 -0.886 0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -18.004 -1.845 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.932 -3.203 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.667 -2.808 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.612 -1.304 3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -14.247 -2.389 5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.416 -1.713 6.362 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.001 -2.167 8.047 1.00 0.00 H new ATOM 871 N CYS A 63 -16.589 0.852 2.263 1.00 0.00 N ATOM 872 CA CYS A 63 -16.415 2.038 3.093 1.00 0.00 C ATOM 873 C CYS A 63 -16.756 1.739 4.545 1.00 0.00 C ATOM 874 O CYS A 63 -17.730 1.053 4.825 1.00 0.00 O ATOM 875 CB CYS A 63 -17.320 3.165 2.596 1.00 0.00 C ATOM 876 SG CYS A 63 -17.318 4.536 3.784 1.00 0.00 S ATOM 0 H CYS A 63 -17.466 0.824 1.743 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.371 2.342 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.976 3.516 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.336 2.793 2.460 1.00 0.00 H new ATOM 881 N LYS A 64 -16.132 2.507 5.430 1.00 0.00 N ATOM 882 CA LYS A 64 -16.424 2.416 6.851 1.00 0.00 C ATOM 883 C LYS A 64 -17.875 2.799 7.130 1.00 0.00 C ATOM 884 O LYS A 64 -18.581 2.075 7.840 1.00 0.00 O ATOM 885 CB LYS A 64 -15.506 3.398 7.589 1.00 0.00 C ATOM 886 CG LYS A 64 -15.665 3.273 9.108 1.00 0.00 C ATOM 887 CD LYS A 64 -14.708 4.244 9.814 1.00 0.00 C ATOM 888 CE LYS A 64 -14.860 4.103 11.331 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.929 5.041 12.019 1.00 0.00 N ATOM 0 H LYS A 64 -15.422 3.198 5.187 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.262 1.392 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.469 3.208 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.736 4.417 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.694 3.490 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.456 2.250 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.679 4.035 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.924 5.268 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.888 4.316 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.648 3.078 11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.035 4.942 13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.950 4.818 11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.152 6.018 11.740 1.00 0.00 H new ATOM 903 N LYS A 65 -18.361 3.833 6.443 1.00 0.00 N ATOM 904 CA LYS A 65 -19.747 4.268 6.603 1.00 0.00 C ATOM 905 C LYS A 65 -20.684 3.818 5.481 1.00 0.00 C ATOM 906 O LYS A 65 -21.787 3.373 5.814 1.00 0.00 O ATOM 907 CB LYS A 65 -19.859 5.771 6.862 1.00 0.00 C ATOM 908 CG LYS A 65 -21.342 6.097 7.075 1.00 0.00 C ATOM 909 CD LYS A 65 -21.546 7.577 7.396 1.00 0.00 C ATOM 910 CE LYS A 65 -23.042 7.828 7.616 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.285 9.261 7.940 1.00 0.00 N ATOM 0 H LYS A 65 -17.819 4.381 5.775 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.095 3.750 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.276 6.053 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.460 6.335 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.906 5.836 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.737 5.489 7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -20.981 7.852 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.175 8.196 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.599 7.551 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.408 7.198 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.108 9.604 7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.470 9.360 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.447 9.822 7.684 1.00 0.00 H new ATOM 925 N CYS A 66 -20.230 3.651 4.229 1.00 0.00 N ATOM 926 CA CYS A 66 -21.238 3.449 3.183 1.00 0.00 C ATOM 927 C CYS A 66 -21.902 2.099 3.420 1.00 0.00 C ATOM 928 O CYS A 66 -22.964 1.863 2.854 1.00 0.00 O ATOM 929 CB CYS A 66 -20.747 3.338 1.726 1.00 0.00 C ATOM 930 SG CYS A 66 -19.754 4.676 1.009 1.00 0.00 S ATOM 0 H CYS A 66 -19.254 3.651 3.933 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.858 4.342 3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.163 2.421 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.626 3.211 1.095 1.00 0.00 H new ATOM 935 N HIS A 67 -21.106 1.126 3.851 1.00 0.00 N ATOM 936 CA HIS A 67 -21.598 -0.249 3.892 1.00 0.00 C ATOM 937 C HIS A 67 -21.880 -0.683 2.454 1.00 0.00 C ATOM 938 O HIS A 67 -23.048 -0.926 2.146 1.00 0.00 O ATOM 939 CB HIS A 67 -22.830 -0.387 4.797 1.00 0.00 C ATOM 940 CG HIS A 67 -22.426 -0.233 6.242 1.00 0.00 C ATOM 941 ND1 HIS A 67 -23.361 -0.097 7.259 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.197 -0.100 6.848 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.696 0.278 8.366 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.374 0.288 8.171 1.00 0.00 N ATOM 0 H HIS A 67 -20.145 1.255 4.168 1.00 0.00 H new ATOM 0 HA HIS A 67 -20.846 -0.905 4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.571 0.368 4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -23.298 -1.359 4.643 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -20.244 -0.271 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -23.172 0.539 9.299 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -20.650 0.529 8.848 1.00 0.00 H new ATOM 953 N ALA A 68 -21.063 -0.083 1.588 1.00 0.00 N ATOM 954 CA ALA A 68 -21.143 -0.258 0.142 1.00 0.00 C ATOM 955 C ALA A 68 -19.761 -0.607 -0.402 1.00 0.00 C ATOM 956 O ALA A 68 -18.754 -0.138 0.130 1.00 0.00 O ATOM 957 CB ALA A 68 -21.632 1.034 -0.518 1.00 0.00 C ATOM 0 H ALA A 68 -20.316 0.548 1.879 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.844 -1.062 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.688 0.893 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.620 1.288 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.937 1.843 -0.294 1.00 0.00 H new ATOM 963 N PHE A 69 -19.717 -1.325 -1.523 1.00 0.00 N ATOM 964 CA PHE A 69 -18.446 -1.803 -2.059 1.00 0.00 C ATOM 965 C PHE A 69 -17.662 -0.589 -2.551 1.00 0.00 C ATOM 966 O PHE A 69 -18.228 0.253 -3.242 1.00 0.00 O ATOM 967 CB PHE A 69 -18.722 -2.726 -3.250 1.00 0.00 C ATOM 968 CG PHE A 69 -17.479 -3.507 -3.622 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.450 -2.884 -4.342 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.580 -4.908 -3.668 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.352 -3.642 -4.772 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.593 -5.658 -4.308 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.433 -5.033 -4.774 1.00 0.00 C ATOM 0 H PHE A 69 -20.537 -1.586 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.887 -2.345 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.530 -3.415 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -19.056 -2.136 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -16.503 -1.828 -4.564 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.422 -5.404 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.448 -3.150 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.725 -6.721 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.604 -5.625 -5.134 1.00 0.00 H new ATOM 983 N LEU A 70 -16.403 -0.458 -2.141 1.00 0.00 N ATOM 984 CA LEU A 70 -15.680 0.789 -2.363 1.00 0.00 C ATOM 985 C LEU A 70 -14.520 0.582 -3.337 1.00 0.00 C ATOM 986 O LEU A 70 -13.470 0.051 -2.979 1.00 0.00 O ATOM 987 CB LEU A 70 -15.199 1.321 -1.011 1.00 0.00 C ATOM 988 CG LEU A 70 -14.387 2.612 -1.172 1.00 0.00 C ATOM 989 CD1 LEU A 70 -15.183 3.698 -1.901 1.00 0.00 C ATOM 990 CD2 LEU A 70 -13.989 3.124 0.214 1.00 0.00 C ATOM 0 H LEU A 70 -15.871 -1.185 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.341 1.525 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.058 1.508 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.588 0.565 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.504 2.386 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.572 4.596 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.459 3.342 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.085 3.930 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.411 4.042 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.886 3.324 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.386 2.371 0.721 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.658 1.280 -4.463 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.594 1.532 -5.434 1.00 0.00 C ATOM 1004 C VAL A 71 -13.683 3.002 -5.839 1.00 0.00 C ATOM 1005 O VAL A 71 -14.790 3.529 -5.925 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.774 0.628 -6.663 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.772 0.976 -7.768 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.575 -0.834 -6.251 1.00 0.00 C ATOM 0 H VAL A 71 -15.547 1.701 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.618 1.314 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.781 0.783 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.928 0.317 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.917 2.011 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.757 0.848 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.702 -1.478 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.571 -0.965 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.310 -1.101 -5.492 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.568 3.700 -6.089 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.647 5.103 -6.582 1.00 0.00 C ATOM 1020 C PRO A 72 -13.351 5.197 -7.932 1.00 0.00 C ATOM 1021 O PRO A 72 -13.035 4.454 -8.862 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.189 5.558 -6.695 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.393 4.597 -5.873 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.178 3.285 -5.833 1.00 0.00 C ATOM 0 HA PRO A 72 -13.231 5.730 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.857 5.551 -7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.069 6.578 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.406 4.443 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.240 4.986 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.824 2.584 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.080 2.789 -4.867 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.096 6.284 -8.090 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.769 6.610 -9.341 1.00 0.00 C ATOM 1034 C GLY A 73 -16.242 6.197 -9.319 1.00 0.00 C ATOM 1035 O GLY A 73 -17.010 6.645 -10.175 1.00 0.00 O ATOM 0 H GLY A 73 -14.251 6.968 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.695 7.682 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.264 6.109 -10.167 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.600 5.237 -8.458 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.929 4.628 -8.539 1.00 0.00 C ATOM 1041 C ILE A 74 -18.877 5.124 -7.442 1.00 0.00 C ATOM 1042 O ILE A 74 -19.727 5.963 -7.714 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.795 3.105 -8.470 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.011 2.597 -9.690 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.203 2.498 -8.480 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.610 1.134 -9.494 1.00 0.00 C ATOM 0 H ILE A 74 -16.003 4.873 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.368 4.926 -9.491 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.263 2.817 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.620 2.697 -10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.121 3.208 -9.838 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.131 1.411 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.763 2.864 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.717 2.787 -9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.055 0.789 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.983 1.044 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.505 0.525 -9.369 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.687 4.664 -6.201 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.507 5.129 -5.077 1.00 0.00 C ATOM 1060 C ASN A 75 -18.713 6.118 -4.248 1.00 0.00 C ATOM 1061 O ASN A 75 -19.191 6.672 -3.266 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.909 3.959 -4.169 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.695 3.337 -3.477 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.556 3.581 -3.868 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.865 2.721 -2.339 1.00 0.00 N ATOM 0 H ASN A 75 -17.978 3.975 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.404 5.595 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.617 4.308 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.420 3.199 -4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.056 2.446 -1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.807 2.514 -2.007 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.541 6.415 -4.776 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.587 7.281 -4.113 1.00 0.00 C ATOM 1074 C ALA A 76 -15.616 7.791 -5.161 1.00 0.00 C ATOM 1075 O ALA A 76 -15.370 7.114 -6.149 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.836 6.489 -3.041 1.00 0.00 C ATOM 0 H ALA A 76 -17.224 6.061 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.094 8.117 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.119 7.141 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.546 6.104 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.308 5.657 -3.507 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.041 8.960 -4.927 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.094 9.511 -5.886 1.00 0.00 C ATOM 1084 C ARG A 77 -12.827 9.967 -5.175 1.00 0.00 C ATOM 1085 O ARG A 77 -12.867 10.351 -4.010 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.730 10.654 -6.680 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.827 11.000 -7.866 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.426 12.154 -8.670 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.636 12.370 -9.880 1.00 0.00 N ATOM 1090 CZ ARG A 77 -12.567 13.165 -9.896 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -12.142 13.725 -8.796 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -11.860 13.257 -10.987 1.00 0.00 N ATOM 0 H ARG A 77 -15.207 9.535 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.820 8.730 -6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.719 10.362 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.864 11.527 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.834 11.274 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.705 10.126 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.459 11.929 -8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.441 13.062 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.912 11.897 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.629 13.555 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.323 14.332 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.128 12.724 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.039 13.862 -11.013 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.690 9.798 -5.841 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.411 10.150 -5.238 1.00 0.00 C ATOM 1108 C VAL A 78 -9.705 11.178 -6.115 1.00 0.00 C ATOM 1109 O VAL A 78 -9.840 11.150 -7.338 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.552 8.887 -5.068 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.054 8.392 -6.431 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.344 9.185 -4.171 1.00 0.00 C ATOM 0 H VAL A 78 -11.628 9.424 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.573 10.587 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.168 8.115 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.447 7.497 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.908 8.158 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.453 9.169 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.743 8.283 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.739 9.970 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.691 9.515 -3.192 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.259 12.251 -5.466 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.408 13.239 -6.118 1.00 0.00 C ATOM 1124 C ARG A 79 -6.968 13.015 -5.686 1.00 0.00 C ATOM 1125 O ARG A 79 -6.714 12.674 -4.534 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.841 14.657 -5.732 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.240 14.937 -6.284 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.709 16.330 -5.848 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.950 16.377 -4.408 1.00 0.00 N ATOM 1130 CZ ARG A 79 -11.342 17.489 -3.795 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -11.706 18.529 -4.491 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.478 17.487 -2.500 1.00 0.00 N ATOM 0 H ARG A 79 -9.473 12.457 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.497 13.129 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.839 14.766 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.132 15.384 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.230 14.872 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.939 14.181 -5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.957 17.071 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.622 16.593 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.813 15.530 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.691 18.491 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.006 19.381 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.284 16.638 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.778 18.334 -2.017 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.064 13.051 -6.655 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.657 12.808 -6.372 1.00 0.00 C ATOM 1148 C LEU A 80 -3.889 14.103 -6.612 1.00 0.00 C ATOM 1149 O LEU A 80 -3.988 14.689 -7.685 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.149 11.710 -7.311 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.016 10.454 -7.151 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.275 10.569 -8.024 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.225 9.213 -7.569 1.00 0.00 C ATOM 0 H LEU A 80 -6.276 13.244 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.517 12.488 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.181 12.057 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.108 11.477 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.307 10.363 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.884 9.673 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.851 11.443 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.985 10.673 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.849 8.327 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.923 9.308 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.339 9.118 -6.942 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.183 14.572 -5.586 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.409 15.806 -5.692 1.00 0.00 C ATOM 1167 C ARG A 81 -0.909 15.525 -5.633 1.00 0.00 C ATOM 1168 O ARG A 81 -0.436 14.829 -4.736 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.832 16.796 -4.600 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.247 17.313 -4.886 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.692 18.264 -3.771 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.029 18.788 -4.054 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.149 18.169 -3.683 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -7.109 16.978 -3.154 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.298 18.686 -4.015 1.00 0.00 N ATOM 0 H ARG A 81 -3.131 14.118 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.617 16.258 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.803 16.310 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.131 17.630 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.267 17.830 -5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.941 16.476 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.694 17.739 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.983 19.087 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.107 19.670 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.213 16.509 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.974 16.515 -2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.331 19.553 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.164 18.224 -3.738 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.163 16.209 -6.500 1.00 0.00 N ATOM 1190 CA GLN A 82 1.286 16.045 -6.564 1.00 0.00 C ATOM 1191 C GLN A 82 1.962 17.334 -6.110 1.00 0.00 C ATOM 1192 O GLN A 82 2.394 18.158 -6.920 1.00 0.00 O ATOM 1193 CB GLN A 82 1.708 15.684 -7.989 1.00 0.00 C ATOM 1194 CG GLN A 82 1.183 14.284 -8.315 1.00 0.00 C ATOM 1195 CD GLN A 82 1.520 13.919 -9.755 1.00 0.00 C ATOM 1196 OE1 GLN A 82 1.055 14.569 -10.690 1.00 0.00 O ATOM 1197 NE2 GLN A 82 2.239 12.856 -9.993 1.00 0.00 N ATOM 0 H GLN A 82 -0.540 16.882 -7.167 1.00 0.00 H new ATOM 0 HA GLN A 82 1.593 15.235 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.310 16.411 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.794 15.711 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.623 13.555 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.104 14.248 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.625 12.317 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.415 12.564 -10.954 1.00 0.00 H new ATOM 1206 N LYS A 83 1.800 17.595 -4.820 1.00 0.00 N ATOM 1207 CA LYS A 83 2.566 18.611 -4.111 1.00 0.00 C ATOM 1208 C LYS A 83 3.743 17.868 -3.486 1.00 0.00 C ATOM 1209 O LYS A 83 3.754 16.637 -3.571 1.00 0.00 O ATOM 1210 CB LYS A 83 1.678 19.222 -3.023 1.00 0.00 C ATOM 1211 CG LYS A 83 0.368 19.720 -3.652 1.00 0.00 C ATOM 1212 CD LYS A 83 0.605 20.835 -4.671 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.747 21.256 -5.255 1.00 0.00 C ATOM 1214 NZ LYS A 83 -0.548 22.347 -6.247 1.00 0.00 N ATOM 0 H LYS A 83 1.128 17.103 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 83 2.909 19.417 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.465 18.480 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.197 20.047 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.139 18.887 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.296 20.082 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.093 21.685 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.269 20.489 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.230 20.403 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.409 21.593 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.468 22.630 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.105 23.164 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.068 22.011 -7.014 1.00 0.00 H new ATOM 1228 N ARG A 84 4.805 18.527 -3.013 1.00 0.00 N ATOM 1229 CA ARG A 84 5.828 17.694 -2.384 1.00 0.00 C ATOM 1230 C ARG A 84 5.340 17.428 -0.961 1.00 0.00 C ATOM 1231 O ARG A 84 6.151 17.333 -0.036 1.00 0.00 O ATOM 1232 CB ARG A 84 7.099 18.543 -2.236 1.00 0.00 C ATOM 1233 CG ARG A 84 7.735 18.931 -3.575 1.00 0.00 C ATOM 1234 CD ARG A 84 8.937 19.830 -3.260 1.00 0.00 C ATOM 1235 NE ARG A 84 9.598 20.279 -4.479 1.00 0.00 N ATOM 1236 CZ ARG A 84 10.607 21.146 -4.452 1.00 0.00 C ATOM 1237 NH1 ARG A 84 10.960 21.718 -3.335 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.060 21.625 -5.575 1.00 0.00 N ATOM 0 H ARG A 84 4.972 19.533 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 84 6.012 16.785 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.858 19.450 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.828 17.991 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.051 18.043 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.017 19.455 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.606 20.694 -2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.648 19.286 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 84 9.278 19.918 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.461 21.502 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.735 22.381 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.642 21.335 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.833 22.291 -5.571 1.00 0.00 H new ATOM 1252 N MET A 85 4.156 16.823 -0.908 1.00 0.00 N ATOM 1253 CA MET A 85 3.736 15.820 0.058 1.00 0.00 C ATOM 1254 C MET A 85 2.752 14.911 -0.671 1.00 0.00 C ATOM 1255 O MET A 85 1.740 15.441 -1.123 1.00 0.00 O ATOM 1256 CB MET A 85 3.017 16.520 1.222 1.00 0.00 C ATOM 1257 CG MET A 85 3.202 18.039 1.119 1.00 0.00 C ATOM 1258 SD MET A 85 2.323 18.865 2.465 1.00 0.00 S ATOM 1259 CE MET A 85 3.670 19.968 2.959 1.00 0.00 C ATOM 0 H MET A 85 3.421 17.036 -1.582 1.00 0.00 H new ATOM 0 HA MET A 85 4.582 15.257 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.955 16.273 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.412 16.161 2.172 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.262 18.288 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.829 18.394 0.159 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.345 20.587 3.795 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.534 19.375 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.944 20.607 2.119 1.00 0.00 H new ATOM 1269 N PRO A 86 3.038 13.642 -1.004 1.00 0.00 N ATOM 1270 CA PRO A 86 2.006 12.877 -1.756 1.00 0.00 C ATOM 1271 C PRO A 86 0.738 12.759 -0.915 1.00 0.00 C ATOM 1272 O PRO A 86 0.809 12.469 0.276 1.00 0.00 O ATOM 1273 CB PRO A 86 2.650 11.511 -2.008 1.00 0.00 C ATOM 1274 CG PRO A 86 4.120 11.692 -1.800 1.00 0.00 C ATOM 1275 CD PRO A 86 4.326 12.934 -0.925 1.00 0.00 C ATOM 0 HA PRO A 86 1.710 13.354 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.251 10.761 -1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.441 11.164 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.548 10.812 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.628 11.811 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.570 12.663 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.144 13.552 -1.295 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.417 12.904 -1.557 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.690 12.751 -0.862 1.00 0.00 C ATOM 1285 C HIS A 87 -2.810 12.423 -1.843 1.00 0.00 C ATOM 1286 O HIS A 87 -2.866 12.985 -2.937 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.005 13.999 -0.024 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.957 15.267 -0.835 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -2.507 16.436 -0.325 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -1.073 15.696 -1.799 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -2.194 17.418 -1.184 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.130 17.082 -1.911 1.00 0.00 N ATOM 0 H HIS A 87 -0.498 13.125 -2.549 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.610 11.910 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.995 13.893 0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.292 14.070 0.798 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.045 16.530 0.536 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.431 15.053 -2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.730 18.351 -1.273 1.00 0.00 H new ATOM 1301 N ILE A 88 -3.784 11.649 -1.370 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.039 11.458 -2.092 1.00 0.00 C ATOM 1303 C ILE A 88 -6.230 11.678 -1.159 1.00 0.00 C ATOM 1304 O ILE A 88 -6.113 11.440 0.044 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.082 10.057 -2.713 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.014 8.987 -1.617 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -3.883 9.899 -3.660 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.265 7.600 -2.215 1.00 0.00 C ATOM 0 H ILE A 88 -3.727 11.142 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.099 12.192 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.015 9.933 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.037 9.012 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.755 9.198 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.902 8.906 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.938 10.653 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.957 10.026 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.214 6.849 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.252 7.576 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.507 7.386 -2.969 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.322 12.240 -1.679 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.522 12.443 -0.866 1.00 0.00 C ATOM 1322 C VAL A 89 -9.719 11.696 -1.442 1.00 0.00 C ATOM 1323 O VAL A 89 -10.124 11.939 -2.573 1.00 0.00 O ATOM 1324 CB VAL A 89 -8.866 13.932 -0.722 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -7.792 14.615 0.131 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.935 14.618 -2.090 1.00 0.00 C ATOM 0 H VAL A 89 -7.401 12.559 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.299 12.041 0.122 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.842 14.017 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.030 15.673 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.759 14.150 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.821 14.509 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.180 15.672 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.970 14.531 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.703 14.141 -2.698 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.406 10.967 -0.564 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.452 10.039 -0.976 1.00 0.00 C ATOM 1338 C VAL A 90 -12.757 10.430 -0.292 1.00 0.00 C ATOM 1339 O VAL A 90 -12.856 10.321 0.922 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.065 8.609 -0.569 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.251 7.653 -0.745 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -9.888 8.130 -1.422 1.00 0.00 C ATOM 0 H VAL A 90 -10.254 11.004 0.444 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.575 10.080 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.777 8.615 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.954 6.646 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.081 7.984 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.563 7.649 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.616 7.115 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.173 8.141 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.035 8.792 -1.270 1.00 0.00 H new ATOM 1352 N LYS A 91 -13.820 10.506 -1.082 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.139 10.811 -0.545 1.00 0.00 C ATOM 1354 C LYS A 91 -16.150 9.854 -1.155 1.00 0.00 C ATOM 1355 O LYS A 91 -16.114 9.616 -2.358 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.582 12.262 -0.807 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.274 12.767 -2.228 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.768 12.915 -2.479 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.515 13.441 -3.891 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.044 13.579 -4.078 1.00 0.00 N ATOM 0 H LYS A 91 -13.795 10.361 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.085 10.692 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.655 12.341 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.091 12.916 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.695 12.074 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.762 13.729 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.336 13.597 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.274 11.952 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.930 12.757 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.008 14.403 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.843 14.443 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.580 13.637 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.681 12.753 -4.595 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.097 9.388 -0.346 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.092 8.456 -0.858 1.00 0.00 C ATOM 1376 C CYS A 92 -19.407 9.186 -1.071 1.00 0.00 C ATOM 1377 O CYS A 92 -19.919 9.810 -0.148 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.345 7.290 0.093 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.799 7.671 1.775 1.00 0.00 S ATOM 0 H CYS A 92 -17.195 9.632 0.639 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.701 8.056 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.408 7.050 0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.821 6.405 -0.268 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.074 8.826 -2.161 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.394 9.360 -2.458 1.00 0.00 C ATOM 1386 C LEU A 93 -22.421 8.954 -1.393 1.00 0.00 C ATOM 1387 O LEU A 93 -23.202 9.793 -0.952 1.00 0.00 O ATOM 1388 CB LEU A 93 -21.803 8.872 -3.851 1.00 0.00 C ATOM 1389 CG LEU A 93 -20.910 9.555 -4.898 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.098 8.891 -6.267 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.266 11.042 -5.005 1.00 0.00 C ATOM 0 H LEU A 93 -19.720 8.166 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.361 10.449 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.700 7.789 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -22.851 9.105 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.871 9.452 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.460 9.383 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -20.828 7.837 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.140 8.980 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.627 11.516 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.309 11.146 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.115 11.523 -4.038 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.383 7.699 -0.936 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.393 7.199 0.002 1.00 0.00 C ATOM 1405 C GLU A 94 -23.318 7.852 1.378 1.00 0.00 C ATOM 1406 O GLU A 94 -24.326 8.357 1.877 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.249 5.683 0.181 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.608 4.977 -1.127 1.00 0.00 C ATOM 1409 CD GLU A 94 -25.066 5.262 -1.478 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -25.906 5.041 -0.620 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -25.269 6.019 -2.413 1.00 0.00 O ATOM 0 H GLU A 94 -21.671 7.016 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.357 7.453 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.228 5.436 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.901 5.338 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -22.956 5.322 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.450 3.903 -1.028 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.102 8.000 1.902 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.900 8.770 3.127 1.00 0.00 C ATOM 1420 C CYS A 95 -21.956 10.277 2.892 1.00 0.00 C ATOM 1421 O CYS A 95 -22.353 11.025 3.784 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.582 8.381 3.801 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.560 6.595 4.102 1.00 0.00 S ATOM 0 H CYS A 95 -21.252 7.602 1.503 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.727 8.522 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.741 8.664 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.469 8.920 4.742 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.483 10.719 1.727 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.309 12.146 1.462 1.00 0.00 C ATOM 1430 C GLY A 96 -20.100 12.704 2.207 1.00 0.00 C ATOM 1431 O GLY A 96 -19.904 13.917 2.258 1.00 0.00 O ATOM 0 H GLY A 96 -21.214 10.111 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.185 12.307 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.206 12.686 1.764 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.205 11.807 2.610 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.185 12.116 3.608 1.00 0.00 C ATOM 1437 C HIS A 97 -16.790 11.990 3.010 1.00 0.00 C ATOM 1438 O HIS A 97 -16.518 11.059 2.257 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.297 11.190 4.822 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.553 11.485 5.600 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.432 12.542 5.573 1.00 0.00 N flip ATOM 1442 CD2 HIS A 97 -19.954 10.702 6.671 1.00 0.00 C flip ATOM 1443 CE1 HIS A 97 -21.417 12.354 6.536 1.00 0.00 C flip ATOM 1444 NE2 HIS A 97 -20.954 11.355 7.286 1.00 0.00 N flip ATOM 0 H HIS A 97 -19.166 10.851 2.257 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.350 13.144 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.302 10.151 4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.426 11.317 5.465 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -20.371 13.342 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.540 9.746 6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.345 12.894 6.650 1.00 0.00 H new ATOM 1453 N ILE A 98 -15.875 12.809 3.521 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.549 12.960 2.931 1.00 0.00 C ATOM 1455 C ILE A 98 -13.492 12.310 3.819 1.00 0.00 C ATOM 1456 O ILE A 98 -13.632 12.295 5.043 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.231 14.448 2.725 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.883 14.643 2.018 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.204 15.180 4.071 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.931 14.103 0.590 1.00 0.00 C ATOM 0 H ILE A 98 -16.030 13.383 4.350 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.539 12.460 1.962 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.017 14.864 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.627 15.702 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.098 14.134 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.977 16.234 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.177 15.089 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.439 14.739 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.963 14.254 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.164 13.038 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.700 14.631 0.027 1.00 0.00 H new ATOM 1472 N MET A 99 -12.676 11.486 3.172 1.00 0.00 N ATOM 1473 CA MET A 99 -11.589 10.768 3.828 1.00 0.00 C ATOM 1474 C MET A 99 -10.277 11.082 3.120 1.00 0.00 C ATOM 1475 O MET A 99 -10.299 11.557 1.985 1.00 0.00 O ATOM 1476 CB MET A 99 -11.834 9.260 3.761 1.00 0.00 C ATOM 1477 CG MET A 99 -13.050 8.880 4.612 1.00 0.00 C ATOM 1478 SD MET A 99 -13.388 7.110 4.430 1.00 0.00 S ATOM 1479 CE MET A 99 -11.930 6.487 5.303 1.00 0.00 C ATOM 0 H MET A 99 -12.750 11.296 2.173 1.00 0.00 H new ATOM 0 HA MET A 99 -11.541 11.081 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.997 8.957 2.727 1.00 0.00 H new ATOM 0 HB3 MET A 99 -10.953 8.725 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.863 9.119 5.659 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.919 9.460 4.302 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.126 5.477 5.664 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.078 6.470 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.706 7.138 6.148 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.185 11.084 3.879 1.00 0.00 N ATOM 1490 CA ARG A 100 -7.885 11.470 3.338 1.00 0.00 C ATOM 1491 C ARG A 100 -6.886 10.345 3.584 1.00 0.00 C ATOM 1492 O ARG A 100 -6.752 9.869 4.711 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.423 12.760 4.026 1.00 0.00 C ATOM 1494 CG ARG A 100 -6.001 13.143 3.600 1.00 0.00 C ATOM 1495 CD ARG A 100 -5.586 14.431 4.320 1.00 0.00 C ATOM 1496 NE ARG A 100 -6.429 15.552 3.907 1.00 0.00 N ATOM 1497 CZ ARG A 100 -6.199 16.251 2.797 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -5.328 15.827 1.925 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -7.042 17.185 2.453 1.00 0.00 N ATOM 0 H ARG A 100 -9.174 10.824 4.865 1.00 0.00 H new ATOM 0 HA ARG A 100 -7.957 11.646 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.109 13.571 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.458 12.630 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.307 12.338 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.959 13.287 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.662 14.291 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.542 14.655 4.101 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.224 15.809 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.821 14.958 2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.154 16.364 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.862 17.370 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.881 17.730 1.606 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.181 9.944 2.529 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.078 8.999 2.668 1.00 0.00 C ATOM 1515 C TYR A 101 -3.770 9.673 2.256 1.00 0.00 C ATOM 1516 O TYR A 101 -3.571 9.973 1.083 1.00 0.00 O ATOM 1517 CB TYR A 101 -5.358 7.770 1.791 1.00 0.00 C ATOM 1518 CG TYR A 101 -5.394 6.517 2.641 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -6.536 6.203 3.394 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -4.291 5.651 2.654 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -6.586 5.009 4.126 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -4.337 4.468 3.401 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.461 4.176 4.182 1.00 0.00 C ATOM 1524 OH TYR A 101 -5.454 3.082 5.025 1.00 0.00 O ATOM 0 H TYR A 101 -6.353 10.257 1.574 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.987 8.679 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.309 7.894 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.587 7.677 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.376 6.881 3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.405 5.897 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.491 4.731 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -3.505 3.780 3.375 1.00 0.00 H new ATOM 0 HH TYR A 101 -4.599 2.610 4.941 1.00 0.00 H new ATOM 1534 N PRO A 102 -2.987 10.153 3.241 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.606 10.652 2.984 1.00 0.00 C ATOM 1536 C PRO A 102 -0.631 9.535 2.618 1.00 0.00 C ATOM 1537 O PRO A 102 -0.711 8.433 3.159 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.235 11.316 4.312 1.00 0.00 C ATOM 1539 CG PRO A 102 -1.968 10.543 5.355 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.230 9.990 4.688 1.00 0.00 C ATOM 0 HA PRO A 102 -1.557 11.327 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.159 11.283 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.527 12.366 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.349 9.734 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.225 11.181 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.390 8.944 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.118 10.537 5.005 1.00 0.00 H new ATOM 1548 N TYR A 103 0.336 9.858 1.763 1.00 0.00 N ATOM 1549 CA TYR A 103 1.470 8.970 1.520 1.00 0.00 C ATOM 1550 C TYR A 103 2.773 9.770 1.569 1.00 0.00 C ATOM 1551 O TYR A 103 2.846 10.853 0.988 1.00 0.00 O ATOM 1552 CB TYR A 103 1.296 8.287 0.159 1.00 0.00 C ATOM 1553 CG TYR A 103 2.404 7.287 -0.064 1.00 0.00 C ATOM 1554 CD1 TYR A 103 2.332 6.033 0.555 1.00 0.00 C ATOM 1555 CD2 TYR A 103 3.549 7.642 -0.786 1.00 0.00 C ATOM 1556 CE1 TYR A 103 3.346 5.093 0.353 1.00 0.00 C ATOM 1557 CE2 TYR A 103 4.558 6.698 -0.998 1.00 0.00 C ATOM 1558 CZ TYR A 103 4.472 5.435 -0.404 1.00 0.00 C ATOM 1559 OH TYR A 103 5.552 4.577 -0.468 1.00 0.00 O ATOM 0 H TYR A 103 0.357 10.726 1.228 1.00 0.00 H new ATOM 0 HA TYR A 103 1.513 8.202 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.329 7.786 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.304 9.034 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.492 5.792 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.653 8.643 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.261 4.105 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.405 6.944 -1.621 1.00 0.00 H new ATOM 0 HH TYR A 103 6.247 4.968 -1.037 1.00 0.00 H new ATOM 1569 N ILE A 104 3.815 9.234 2.210 1.00 0.00 N ATOM 1570 CA ILE A 104 5.093 9.943 2.290 1.00 0.00 C ATOM 1571 C ILE A 104 6.053 9.499 1.186 1.00 0.00 C ATOM 1572 O ILE A 104 6.236 8.310 0.948 1.00 0.00 O ATOM 1573 CB ILE A 104 5.725 9.773 3.680 1.00 0.00 C ATOM 1574 CG1 ILE A 104 5.955 8.289 4.000 1.00 0.00 C ATOM 1575 CG2 ILE A 104 4.824 10.432 4.732 1.00 0.00 C ATOM 1576 CD1 ILE A 104 6.760 8.153 5.297 1.00 0.00 C ATOM 0 H ILE A 104 3.800 8.326 2.674 1.00 0.00 H new ATOM 0 HA ILE A 104 4.894 11.004 2.137 1.00 0.00 H new ATOM 0 HB ILE A 104 6.699 10.262 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.998 7.777 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.488 7.809 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.270 10.313 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.718 11.493 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.842 9.959 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.919 7.097 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.724 8.649 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.210 8.616 6.117 1.00 0.00 H new ATOM 1588 N LYS A 105 6.498 10.489 0.412 1.00 0.00 N ATOM 1589 CA LYS A 105 7.378 10.286 -0.739 1.00 0.00 C ATOM 1590 C LYS A 105 6.985 9.058 -1.562 1.00 0.00 C ATOM 1591 O LYS A 105 6.101 9.200 -2.390 1.00 0.00 O ATOM 1592 CB LYS A 105 8.842 10.216 -0.281 1.00 0.00 C ATOM 1593 CG LYS A 105 9.280 11.586 0.247 1.00 0.00 C ATOM 1594 CD LYS A 105 10.734 11.532 0.724 1.00 0.00 C ATOM 1595 CE LYS A 105 11.148 12.912 1.241 1.00 0.00 C ATOM 1596 NZ LYS A 105 12.558 12.857 1.718 1.00 0.00 N ATOM 0 H LYS A 105 6.254 11.467 0.569 1.00 0.00 H new ATOM 0 HA LYS A 105 7.263 11.145 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.955 9.462 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.480 9.914 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.175 12.336 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.632 11.891 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.843 10.788 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.386 11.227 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.049 13.654 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.489 13.222 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.842 13.793 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.638 12.160 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.180 12.579 0.932 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.856 5.881 2.734 1.00 0.00 ZN