USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 150:sc= 0.186 USER MOD Set 1.2: A 66 CYS SG : rot 108:sc= -9.88! USER MOD Set 1.3: A 75 ASN : amide:sc= -9.44! C(o=-18!,f=-22!) USER MOD Set 1.4: A 92 CYS SG : rot -103:sc= 0.263 USER MOD Set 1.5: A 95 CYS SG : rot 25:sc= 0.785 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 140:sc= 1.01 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.165 (180deg=-0.977!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.19! K(o=-4.2!,f=-1.1) USER MOD Single : A 48 GLN : amide:sc=-0.00285 K(o=-0.0028,f=-1.1) 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+ -166:sc=-0.00899 (180deg=-0.196) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.172) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc=-0.000212 (180deg=-0.248) USER MOD Single : A 67 HIS : no HD1:sc= -0.0543 K(o=-0.054,f=-3.1!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.0252 (180deg=-0.249) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -3.12 K(o=-3.1,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -2.67! (180deg=-2.97!) USER MOD Single : A 97 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.036) USER MOD Single : A 99 MET CE :methyl 137:sc= -0.103 (180deg=-0.938) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -19.729 -19.713 0.329 1.00 0.00 N ATOM 24 CA GLU A 16 -20.336 -19.642 -0.999 1.00 0.00 C ATOM 25 C GLU A 16 -21.412 -18.559 -1.054 1.00 0.00 C ATOM 26 O GLU A 16 -21.786 -18.142 -2.148 1.00 0.00 O ATOM 27 CB GLU A 16 -20.926 -21.001 -1.409 1.00 0.00 C ATOM 28 CG GLU A 16 -22.113 -21.378 -0.516 1.00 0.00 C ATOM 29 CD GLU A 16 -22.671 -22.744 -0.912 1.00 0.00 C ATOM 30 OE1 GLU A 16 -21.887 -23.678 -0.968 1.00 0.00 O ATOM 31 OE2 GLU A 16 -23.883 -22.888 -0.907 1.00 0.00 O ATOM 0 HA GLU A 16 -19.549 -19.381 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.248 -20.962 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.157 -21.770 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.799 -21.396 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.893 -20.622 -0.601 1.00 0.00 H new ATOM 38 N ARG A 17 -22.190 -18.445 0.017 1.00 0.00 N ATOM 39 CA ARG A 17 -23.235 -17.428 0.053 1.00 0.00 C ATOM 40 C ARG A 17 -22.662 -16.011 0.018 1.00 0.00 C ATOM 41 O ARG A 17 -23.210 -15.134 -0.651 1.00 0.00 O ATOM 42 CB ARG A 17 -24.044 -17.609 1.340 1.00 0.00 C ATOM 43 CG ARG A 17 -25.210 -16.618 1.391 1.00 0.00 C ATOM 44 CD ARG A 17 -25.996 -16.818 2.686 1.00 0.00 C ATOM 45 NE ARG A 17 -27.102 -15.868 2.763 1.00 0.00 N ATOM 46 CZ ARG A 17 -28.287 -16.143 2.225 1.00 0.00 C ATOM 47 NH1 ARG A 17 -28.434 -17.190 1.456 1.00 0.00 N ATOM 48 NH2 ARG A 17 -29.214 -15.226 2.220 1.00 0.00 N ATOM 0 H ARG A 17 -22.121 -19.027 0.852 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.862 -17.552 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.425 -18.629 1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.398 -17.462 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.835 -15.596 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.863 -16.765 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -26.380 -17.837 2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.336 -16.687 3.543 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.963 -14.976 3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -27.638 -17.799 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -29.344 -17.397 1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.027 -14.309 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -30.127 -15.426 1.810 1.00 0.00 H new ATOM 62 N ILE A 18 -21.623 -15.777 0.817 1.00 0.00 N ATOM 63 CA ILE A 18 -21.021 -14.451 0.913 1.00 0.00 C ATOM 64 C ILE A 18 -20.263 -14.045 -0.355 1.00 0.00 C ATOM 65 O ILE A 18 -20.284 -12.877 -0.739 1.00 0.00 O ATOM 66 CB ILE A 18 -20.175 -14.368 2.189 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.730 -12.923 2.428 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.960 -15.297 2.103 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.194 -12.780 3.854 1.00 0.00 C ATOM 0 H ILE A 18 -21.183 -16.485 1.404 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.817 -13.711 0.990 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.786 -14.694 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.959 -12.646 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.568 -12.244 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.377 -15.219 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.297 -16.326 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.341 -15.008 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -18.878 -11.751 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.978 -13.039 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.344 -13.448 3.992 1.00 0.00 H new ATOM 81 N ASP A 19 -19.511 -14.974 -0.939 1.00 0.00 N ATOM 82 CA ASP A 19 -18.658 -14.644 -2.083 1.00 0.00 C ATOM 83 C ASP A 19 -19.488 -14.278 -3.318 1.00 0.00 C ATOM 84 O ASP A 19 -19.082 -13.432 -4.120 1.00 0.00 O ATOM 85 CB ASP A 19 -17.631 -15.755 -2.361 1.00 0.00 C ATOM 86 CG ASP A 19 -18.259 -17.120 -2.642 1.00 0.00 C ATOM 87 OD1 ASP A 19 -19.454 -17.190 -2.855 1.00 0.00 O ATOM 88 OD2 ASP A 19 -17.555 -18.100 -2.469 1.00 0.00 O ATOM 0 H ASP A 19 -19.473 -15.950 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.085 -13.754 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.018 -15.465 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.963 -15.842 -1.504 1.00 0.00 H new ATOM 93 N ILE A 20 -20.636 -14.933 -3.481 1.00 0.00 N ATOM 94 CA ILE A 20 -21.592 -14.573 -4.527 1.00 0.00 C ATOM 95 C ILE A 20 -22.138 -13.164 -4.297 1.00 0.00 C ATOM 96 O ILE A 20 -22.133 -12.333 -5.199 1.00 0.00 O ATOM 97 CB ILE A 20 -22.744 -15.590 -4.539 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.242 -16.967 -4.997 1.00 0.00 C ATOM 99 CG2 ILE A 20 -23.872 -15.111 -5.458 1.00 0.00 C ATOM 100 CD1 ILE A 20 -21.712 -16.915 -6.433 1.00 0.00 C ATOM 0 H ILE A 20 -20.928 -15.719 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.083 -14.589 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.132 -15.679 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.453 -17.310 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.053 -17.692 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.680 -15.843 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.249 -14.153 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.491 -14.996 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.364 -17.905 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.510 -16.596 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -20.885 -16.207 -6.490 1.00 0.00 H new ATOM 112 N LEU A 21 -22.472 -12.877 -3.048 1.00 0.00 N ATOM 113 CA LEU A 21 -22.996 -11.569 -2.662 1.00 0.00 C ATOM 114 C LEU A 21 -21.938 -10.499 -2.932 1.00 0.00 C ATOM 115 O LEU A 21 -22.265 -9.351 -3.222 1.00 0.00 O ATOM 116 CB LEU A 21 -23.430 -11.586 -1.194 1.00 0.00 C ATOM 117 CG LEU A 21 -23.999 -10.221 -0.790 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.171 -9.831 -1.698 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.507 -10.302 0.650 1.00 0.00 C ATOM 0 H LEU A 21 -22.389 -13.538 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 21 -23.878 -11.332 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -24.181 -12.361 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.579 -11.835 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.211 -9.473 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.559 -8.859 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.828 -9.777 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -25.960 -10.579 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.914 -9.335 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.287 -11.061 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.683 -10.568 1.312 1.00 0.00 H new ATOM 131 N PHE A 22 -20.691 -10.843 -2.626 1.00 0.00 N ATOM 132 CA PHE A 22 -19.554 -9.951 -2.831 1.00 0.00 C ATOM 133 C PHE A 22 -19.464 -9.548 -4.305 1.00 0.00 C ATOM 134 O PHE A 22 -19.172 -8.393 -4.620 1.00 0.00 O ATOM 135 CB PHE A 22 -18.284 -10.707 -2.429 1.00 0.00 C ATOM 136 CG PHE A 22 -17.059 -9.837 -2.589 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.692 -8.954 -1.572 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.326 -9.875 -3.783 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.464 -8.292 -1.651 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.100 -9.210 -3.861 1.00 0.00 C ATOM 141 CZ PHE A 22 -14.618 -8.519 -2.745 1.00 0.00 C ATOM 0 H PHE A 22 -20.440 -11.748 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.671 -9.049 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.366 -11.038 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.181 -11.602 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.350 -8.784 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.707 -10.415 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.167 -7.607 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.528 -9.229 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.599 -8.162 -2.726 1.00 0.00 H new ATOM 151 N SER A 23 -19.612 -10.530 -5.188 1.00 0.00 N ATOM 152 CA SER A 23 -19.692 -10.266 -6.623 1.00 0.00 C ATOM 153 C SER A 23 -20.893 -9.377 -6.944 1.00 0.00 C ATOM 154 O SER A 23 -20.786 -8.459 -7.754 1.00 0.00 O ATOM 155 CB SER A 23 -19.792 -11.584 -7.394 1.00 0.00 C ATOM 156 OG SER A 23 -20.213 -11.339 -8.729 1.00 0.00 O ATOM 0 H SER A 23 -19.679 -11.516 -4.937 1.00 0.00 H new ATOM 0 HA SER A 23 -18.786 -9.742 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.825 -12.087 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.497 -12.251 -6.899 1.00 0.00 H new ATOM 0 HG SER A 23 -20.272 -12.188 -9.214 1.00 0.00 H new ATOM 162 N LEU A 24 -22.034 -9.671 -6.327 1.00 0.00 N ATOM 163 CA LEU A 24 -23.251 -8.903 -6.575 1.00 0.00 C ATOM 164 C LEU A 24 -23.074 -7.450 -6.147 1.00 0.00 C ATOM 165 O LEU A 24 -23.584 -6.542 -6.800 1.00 0.00 O ATOM 166 CB LEU A 24 -24.434 -9.499 -5.805 1.00 0.00 C ATOM 167 CG LEU A 24 -24.825 -10.855 -6.404 1.00 0.00 C ATOM 168 CD1 LEU A 24 -25.838 -11.544 -5.487 1.00 0.00 C ATOM 169 CD2 LEU A 24 -25.463 -10.651 -7.780 1.00 0.00 C ATOM 0 H LEU A 24 -22.142 -10.431 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.450 -8.946 -7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.170 -9.620 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.284 -8.817 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 24 -23.931 -11.471 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.117 -12.508 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.394 -11.696 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -26.726 -10.919 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.739 -11.618 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.354 -10.032 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -24.751 -10.157 -8.442 1.00 0.00 H new ATOM 181 N ALA A 25 -22.430 -7.255 -5.000 1.00 0.00 N ATOM 182 CA ALA A 25 -22.177 -5.911 -4.495 1.00 0.00 C ATOM 183 C ALA A 25 -21.285 -5.155 -5.472 1.00 0.00 C ATOM 184 O ALA A 25 -21.442 -3.954 -5.665 1.00 0.00 O ATOM 185 CB ALA A 25 -21.487 -5.978 -3.130 1.00 0.00 C ATOM 0 H ALA A 25 -22.076 -8.005 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.130 -5.392 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.304 -4.967 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.127 -6.509 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.538 -6.506 -3.227 1.00 0.00 H new ATOM 191 N GLU A 26 -20.327 -5.858 -6.067 1.00 0.00 N ATOM 192 CA GLU A 26 -19.461 -5.244 -7.068 1.00 0.00 C ATOM 193 C GLU A 26 -20.247 -4.854 -8.324 1.00 0.00 C ATOM 194 O GLU A 26 -19.926 -3.852 -8.957 1.00 0.00 O ATOM 195 CB GLU A 26 -18.348 -6.239 -7.420 1.00 0.00 C ATOM 196 CG GLU A 26 -17.347 -5.627 -8.409 1.00 0.00 C ATOM 197 CD GLU A 26 -16.206 -6.597 -8.725 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.315 -7.768 -8.390 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.179 -6.126 -9.188 1.00 0.00 O ATOM 0 H GLU A 26 -20.132 -6.841 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.033 -4.328 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.827 -6.541 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.785 -7.139 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.863 -5.358 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.938 -4.707 -7.992 1.00 0.00 H new ATOM 206 N ARG A 27 -21.152 -5.726 -8.776 1.00 0.00 N ATOM 207 CA ARG A 27 -21.969 -5.438 -9.957 1.00 0.00 C ATOM 208 C ARG A 27 -22.914 -4.259 -9.778 1.00 0.00 C ATOM 209 O ARG A 27 -22.991 -3.377 -10.630 1.00 0.00 O ATOM 210 CB ARG A 27 -22.823 -6.659 -10.295 1.00 0.00 C ATOM 211 CG ARG A 27 -21.936 -7.775 -10.849 1.00 0.00 C ATOM 212 CD ARG A 27 -22.799 -9.005 -11.139 1.00 0.00 C ATOM 213 NE ARG A 27 -21.978 -10.079 -11.687 1.00 0.00 N ATOM 214 CZ ARG A 27 -21.808 -10.220 -12.999 1.00 0.00 C ATOM 215 NH1 ARG A 27 -22.089 -9.225 -13.797 1.00 0.00 N ATOM 216 NH2 ARG A 27 -21.091 -11.210 -13.453 1.00 0.00 N ATOM 0 H ARG A 27 -21.337 -6.632 -8.345 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.266 -5.188 -10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.346 -7.006 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.585 -6.390 -11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -21.438 -7.442 -11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -21.154 -8.025 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -23.286 -9.341 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.589 -8.746 -11.844 1.00 0.00 H new ATOM 0 HE ARG A 27 -21.525 -10.735 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -22.437 -8.346 -13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.961 -9.327 -14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.664 -11.871 -12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -20.957 -11.324 -14.458 1.00 0.00 H new ATOM 230 N VAL A 28 -23.577 -4.219 -8.627 1.00 0.00 N ATOM 231 CA VAL A 28 -24.539 -3.165 -8.329 1.00 0.00 C ATOM 232 C VAL A 28 -23.809 -1.829 -8.219 1.00 0.00 C ATOM 233 O VAL A 28 -24.330 -0.781 -8.594 1.00 0.00 O ATOM 234 CB VAL A 28 -25.341 -3.522 -7.071 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.414 -3.615 -5.862 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.405 -2.460 -6.794 1.00 0.00 C ATOM 0 H VAL A 28 -23.465 -4.907 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.263 -3.070 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.823 -4.485 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -24.996 -3.869 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.664 -4.386 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.919 -2.656 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -26.964 -2.730 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.924 -1.493 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.087 -2.398 -7.642 1.00 0.00 H new ATOM 246 N PHE A 29 -22.580 -1.908 -7.720 1.00 0.00 N ATOM 247 CA PHE A 29 -21.813 -0.728 -7.351 1.00 0.00 C ATOM 248 C PHE A 29 -21.785 0.320 -8.465 1.00 0.00 C ATOM 249 O PHE A 29 -22.236 1.445 -8.249 1.00 0.00 O ATOM 250 CB PHE A 29 -20.383 -1.187 -7.041 1.00 0.00 C ATOM 251 CG PHE A 29 -19.954 -0.674 -5.691 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.575 -1.126 -4.529 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.911 0.236 -5.599 1.00 0.00 C ATOM 254 CE1 PHE A 29 -20.482 -0.359 -3.370 1.00 0.00 C ATOM 255 CE2 PHE A 29 -18.734 0.953 -4.422 1.00 0.00 C ATOM 256 CZ PHE A 29 -19.504 0.637 -3.290 1.00 0.00 C ATOM 0 H PHE A 29 -22.091 -2.789 -7.561 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.282 -0.257 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.331 -2.276 -7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.702 -0.823 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.121 -2.058 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.243 0.386 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -21.156 -0.531 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.007 1.750 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 29 -19.341 1.162 -2.360 1.00 0.00 H new ATOM 266 N PRO A 30 -21.256 -0.005 -9.662 1.00 0.00 N ATOM 267 CA PRO A 30 -21.248 0.954 -10.805 1.00 0.00 C ATOM 268 C PRO A 30 -22.643 1.345 -11.280 1.00 0.00 C ATOM 269 O PRO A 30 -22.801 2.382 -11.923 1.00 0.00 O ATOM 270 CB PRO A 30 -20.519 0.198 -11.919 1.00 0.00 C ATOM 271 CG PRO A 30 -20.692 -1.244 -11.584 1.00 0.00 C ATOM 272 CD PRO A 30 -20.705 -1.313 -10.057 1.00 0.00 C ATOM 0 HA PRO A 30 -20.775 1.892 -10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.943 0.430 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.464 0.471 -11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.620 -1.635 -12.002 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.880 -1.842 -11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.324 -2.135 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.704 -1.466 -9.653 1.00 0.00 H new ATOM 280 N TYR A 31 -23.592 0.417 -11.155 1.00 0.00 N ATOM 281 CA TYR A 31 -24.978 0.714 -11.504 1.00 0.00 C ATOM 282 C TYR A 31 -25.571 1.802 -10.616 1.00 0.00 C ATOM 283 O TYR A 31 -26.452 2.541 -11.051 1.00 0.00 O ATOM 284 CB TYR A 31 -25.837 -0.551 -11.464 1.00 0.00 C ATOM 285 CG TYR A 31 -25.438 -1.470 -12.600 1.00 0.00 C ATOM 286 CD1 TYR A 31 -25.856 -1.154 -13.901 1.00 0.00 C ATOM 287 CD2 TYR A 31 -25.139 -2.811 -12.319 1.00 0.00 C ATOM 288 CE1 TYR A 31 -25.446 -1.967 -14.965 1.00 0.00 C ATOM 289 CE2 TYR A 31 -24.852 -3.692 -13.374 1.00 0.00 C ATOM 290 CZ TYR A 31 -24.961 -3.253 -14.700 1.00 0.00 C ATOM 291 OH TYR A 31 -24.732 -4.128 -15.742 1.00 0.00 O ATOM 0 H TYR A 31 -23.429 -0.532 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.977 1.096 -12.525 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.709 -1.060 -10.509 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.892 -0.290 -11.547 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.486 -0.295 -14.080 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -25.130 -3.164 -11.298 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -25.504 -1.605 -15.981 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -24.548 -4.707 -13.164 1.00 0.00 H new ATOM 0 HH TYR A 31 -24.396 -4.978 -15.388 1.00 0.00 H new ATOM 301 N SER A 32 -25.308 1.691 -9.318 1.00 0.00 N ATOM 302 CA SER A 32 -25.797 2.670 -8.355 1.00 0.00 C ATOM 303 C SER A 32 -25.041 2.505 -7.039 1.00 0.00 C ATOM 304 O SER A 32 -24.989 1.402 -6.496 1.00 0.00 O ATOM 305 CB SER A 32 -27.307 2.495 -8.147 1.00 0.00 C ATOM 306 OG SER A 32 -27.621 2.367 -6.770 1.00 0.00 O ATOM 0 H SER A 32 -24.760 0.934 -8.910 1.00 0.00 H new ATOM 0 HA SER A 32 -25.624 3.677 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.837 3.351 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.652 1.612 -8.685 1.00 0.00 H new ATOM 0 HG SER A 32 -28.441 2.866 -6.574 1.00 0.00 H new ATOM 312 N PRO A 33 -24.458 3.586 -6.505 1.00 0.00 N ATOM 313 CA PRO A 33 -23.983 3.618 -5.091 1.00 0.00 C ATOM 314 C PRO A 33 -25.085 3.247 -4.099 1.00 0.00 C ATOM 315 O PRO A 33 -24.899 2.355 -3.273 1.00 0.00 O ATOM 316 CB PRO A 33 -23.546 5.073 -4.892 1.00 0.00 C ATOM 317 CG PRO A 33 -23.247 5.574 -6.264 1.00 0.00 C ATOM 318 CD PRO A 33 -24.242 4.874 -7.185 1.00 0.00 C ATOM 0 HA PRO A 33 -23.187 2.895 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.333 5.661 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.669 5.138 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.358 6.657 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.220 5.344 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.168 5.440 -7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.840 4.740 -8.189 1.00 0.00 H new ATOM 326 N GLU A 34 -26.292 3.753 -4.354 1.00 0.00 N ATOM 327 CA GLU A 34 -27.387 3.637 -3.394 1.00 0.00 C ATOM 328 C GLU A 34 -27.886 2.199 -3.241 1.00 0.00 C ATOM 329 O GLU A 34 -28.298 1.799 -2.153 1.00 0.00 O ATOM 330 CB GLU A 34 -28.541 4.545 -3.832 1.00 0.00 C ATOM 331 CG GLU A 34 -28.125 6.015 -3.689 1.00 0.00 C ATOM 332 CD GLU A 34 -29.210 6.966 -4.201 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.113 6.514 -4.889 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.980 8.161 -4.120 1.00 0.00 O ATOM 0 H GLU A 34 -26.534 4.245 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.006 3.946 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.811 4.332 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.424 4.346 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.915 6.233 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.201 6.187 -4.241 1.00 0.00 H new ATOM 341 N LEU A 35 -28.037 1.506 -4.367 1.00 0.00 N ATOM 342 CA LEU A 35 -28.419 0.096 -4.351 1.00 0.00 C ATOM 343 C LEU A 35 -27.354 -0.759 -3.678 1.00 0.00 C ATOM 344 O LEU A 35 -27.628 -1.395 -2.663 1.00 0.00 O ATOM 345 CB LEU A 35 -28.669 -0.427 -5.768 1.00 0.00 C ATOM 346 CG LEU A 35 -29.942 0.197 -6.351 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.051 -0.150 -7.841 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.179 -0.336 -5.620 1.00 0.00 C ATOM 0 H LEU A 35 -27.901 1.896 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.343 0.024 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.816 -0.192 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.764 -1.513 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.889 1.278 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.957 0.295 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.182 0.241 -8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.092 -1.233 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.075 0.116 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.230 -1.419 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.113 -0.085 -4.561 1.00 0.00 H new ATOM 360 N ALA A 36 -26.105 -0.441 -4.005 1.00 0.00 N ATOM 361 CA ALA A 36 -24.963 -1.176 -3.475 1.00 0.00 C ATOM 362 C ALA A 36 -24.905 -1.017 -1.963 1.00 0.00 C ATOM 363 O ALA A 36 -24.587 -1.952 -1.235 1.00 0.00 O ATOM 364 CB ALA A 36 -23.671 -0.655 -4.106 1.00 0.00 C ATOM 0 H ALA A 36 -25.859 0.322 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.074 -2.233 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.822 -1.208 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.714 -0.789 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.555 0.404 -3.876 1.00 0.00 H new ATOM 370 N LYS A 37 -25.272 0.180 -1.524 1.00 0.00 N ATOM 371 CA LYS A 37 -25.220 0.555 -0.118 1.00 0.00 C ATOM 372 C LYS A 37 -26.124 -0.369 0.691 1.00 0.00 C ATOM 373 O LYS A 37 -25.643 -1.064 1.589 1.00 0.00 O ATOM 374 CB LYS A 37 -25.701 2.014 -0.079 1.00 0.00 C ATOM 375 CG LYS A 37 -25.621 2.688 1.295 1.00 0.00 C ATOM 376 CD LYS A 37 -26.682 2.136 2.254 1.00 0.00 C ATOM 377 CE LYS A 37 -26.584 2.892 3.580 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.632 2.392 4.513 1.00 0.00 N ATOM 0 H LYS A 37 -25.615 0.920 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.224 0.464 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.109 2.595 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.734 2.049 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.629 2.534 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.755 3.764 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.677 2.253 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.528 1.069 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.596 2.754 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.711 3.961 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.364 2.621 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.541 2.844 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.724 1.361 4.412 1.00 0.00 H new ATOM 392 N ARG A 38 -27.337 -0.581 0.186 1.00 0.00 N ATOM 393 CA ARG A 38 -28.286 -1.498 0.811 1.00 0.00 C ATOM 394 C ARG A 38 -27.803 -2.953 0.770 1.00 0.00 C ATOM 395 O ARG A 38 -27.765 -3.620 1.806 1.00 0.00 O ATOM 396 CB ARG A 38 -29.629 -1.386 0.085 1.00 0.00 C ATOM 397 CG ARG A 38 -30.272 -0.038 0.421 1.00 0.00 C ATOM 398 CD ARG A 38 -31.592 0.138 -0.333 1.00 0.00 C ATOM 399 NE ARG A 38 -32.189 1.424 0.016 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.283 1.887 -0.588 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.962 1.113 -1.387 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.719 3.089 -0.322 1.00 0.00 N ATOM 0 H ARG A 38 -27.687 -0.128 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.385 -1.218 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.482 -1.474 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.287 -2.201 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.450 0.028 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.589 0.771 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.418 0.086 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.277 -0.672 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.754 1.987 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.656 0.154 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.799 1.467 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.222 3.675 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.556 3.442 -0.785 1.00 0.00 H new ATOM 416 N TYR A 39 -27.240 -3.357 -0.367 1.00 0.00 N ATOM 417 CA TYR A 39 -26.715 -4.711 -0.537 1.00 0.00 C ATOM 418 C TYR A 39 -25.560 -5.049 0.403 1.00 0.00 C ATOM 419 O TYR A 39 -25.367 -6.224 0.721 1.00 0.00 O ATOM 420 CB TYR A 39 -26.333 -4.959 -2.002 1.00 0.00 C ATOM 421 CG TYR A 39 -27.570 -5.328 -2.794 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.523 -4.358 -3.143 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.661 -6.615 -3.349 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.652 -4.734 -3.892 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.775 -6.980 -4.107 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.800 -6.056 -4.332 1.00 0.00 C ATOM 427 OH TYR A 39 -30.971 -6.454 -4.949 1.00 0.00 O ATOM 0 H TYR A 39 -27.135 -2.762 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.522 -5.389 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.871 -4.066 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.596 -5.759 -2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.390 -3.330 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -26.864 -7.326 -3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.408 -4.001 -4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -28.845 -7.976 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.907 -7.401 -5.192 1.00 0.00 H new ATOM 437 N VAL A 40 -24.627 -4.117 0.571 1.00 0.00 N ATOM 438 CA VAL A 40 -23.469 -4.391 1.418 1.00 0.00 C ATOM 439 C VAL A 40 -23.882 -4.609 2.876 1.00 0.00 C ATOM 440 O VAL A 40 -23.380 -5.518 3.525 1.00 0.00 O ATOM 441 CB VAL A 40 -22.443 -3.264 1.330 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.334 -3.503 2.362 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.809 -3.229 -0.063 1.00 0.00 C ATOM 0 H VAL A 40 -24.646 -3.190 0.146 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.011 -5.309 1.049 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.948 -2.318 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.600 -2.699 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.766 -3.524 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.846 -4.456 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.080 -2.420 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.311 -4.179 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.584 -3.063 -0.811 1.00 0.00 H new ATOM 453 N GLU A 41 -24.774 -3.761 3.388 1.00 0.00 N ATOM 454 CA GLU A 41 -25.199 -3.834 4.789 1.00 0.00 C ATOM 455 C GLU A 41 -25.918 -5.152 5.044 1.00 0.00 C ATOM 456 O GLU A 41 -25.602 -5.860 5.998 1.00 0.00 O ATOM 457 CB GLU A 41 -26.109 -2.662 5.177 1.00 0.00 C ATOM 458 CG GLU A 41 -25.307 -1.357 5.183 1.00 0.00 C ATOM 459 CD GLU A 41 -26.174 -0.140 5.513 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.383 -0.243 5.385 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.602 0.935 5.596 1.00 0.00 O ATOM 0 H GLU A 41 -25.218 -3.014 2.854 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.303 -3.775 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.938 -2.586 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.542 -2.837 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.500 -1.433 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.843 -1.215 4.207 1.00 0.00 H new ATOM 468 N LEU A 42 -26.592 -5.611 4.000 1.00 0.00 N ATOM 469 CA LEU A 42 -27.058 -6.988 3.939 1.00 0.00 C ATOM 470 C LEU A 42 -25.897 -7.982 3.979 1.00 0.00 C ATOM 471 O LEU A 42 -25.907 -8.877 4.818 1.00 0.00 O ATOM 472 CB LEU A 42 -27.863 -7.145 2.645 1.00 0.00 C ATOM 473 CG LEU A 42 -28.285 -8.601 2.406 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.158 -9.128 3.550 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.071 -8.674 1.094 1.00 0.00 C ATOM 0 H LEU A 42 -26.829 -5.049 3.182 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.679 -7.205 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.750 -6.513 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.266 -6.797 1.802 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.389 -9.219 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.438 -10.162 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.600 -9.080 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.057 -8.518 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.378 -9.704 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.954 -8.039 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.441 -8.331 0.273 1.00 0.00 H new ATOM 487 N ALA A 43 -24.820 -7.712 3.243 1.00 0.00 N ATOM 488 CA ALA A 43 -23.643 -8.581 3.286 1.00 0.00 C ATOM 489 C ALA A 43 -22.972 -8.601 4.662 1.00 0.00 C ATOM 490 O ALA A 43 -22.544 -9.659 5.116 1.00 0.00 O ATOM 491 CB ALA A 43 -22.625 -8.128 2.232 1.00 0.00 C ATOM 0 H ALA A 43 -24.737 -6.910 2.618 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.987 -9.594 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.751 -8.778 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.078 -8.183 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.322 -7.101 2.436 1.00 0.00 H new ATOM 497 N LEU A 44 -22.862 -7.448 5.318 1.00 0.00 N ATOM 498 CA LEU A 44 -22.328 -7.399 6.682 1.00 0.00 C ATOM 499 C LEU A 44 -23.203 -8.162 7.677 1.00 0.00 C ATOM 500 O LEU A 44 -22.695 -8.881 8.537 1.00 0.00 O ATOM 501 CB LEU A 44 -22.131 -5.950 7.136 1.00 0.00 C ATOM 502 CG LEU A 44 -20.798 -5.390 6.618 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.780 -5.352 5.087 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.590 -3.968 7.156 1.00 0.00 C ATOM 0 H LEU A 44 -23.132 -6.542 4.934 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.358 -7.896 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.954 -5.335 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.153 -5.900 8.225 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.997 -6.043 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.826 -4.952 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.912 -6.361 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.590 -4.716 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.643 -3.574 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.406 -3.328 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.573 -3.990 8.246 1.00 0.00 H new ATOM 516 N LEU A 45 -24.520 -8.002 7.549 1.00 0.00 N ATOM 517 CA LEU A 45 -25.470 -8.772 8.347 1.00 0.00 C ATOM 518 C LEU A 45 -25.369 -10.264 8.042 1.00 0.00 C ATOM 519 O LEU A 45 -25.381 -11.092 8.947 1.00 0.00 O ATOM 520 CB LEU A 45 -26.899 -8.273 8.116 1.00 0.00 C ATOM 521 CG LEU A 45 -27.069 -6.880 8.733 1.00 0.00 C ATOM 522 CD1 LEU A 45 -28.414 -6.295 8.290 1.00 0.00 C ATOM 523 CD2 LEU A 45 -27.038 -6.974 10.262 1.00 0.00 C ATOM 0 H LEU A 45 -24.952 -7.345 6.899 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.217 -8.626 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.113 -8.236 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.613 -8.967 8.560 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.254 -6.238 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -28.541 -5.304 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -28.437 -6.219 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -29.222 -6.945 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -27.160 -5.979 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.849 -7.618 10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.084 -7.392 10.582 1.00 0.00 H new ATOM 535 N VAL A 46 -25.218 -10.587 6.763 1.00 0.00 N ATOM 536 CA VAL A 46 -25.026 -11.970 6.338 1.00 0.00 C ATOM 537 C VAL A 46 -23.733 -12.517 6.938 1.00 0.00 C ATOM 538 O VAL A 46 -23.669 -13.688 7.299 1.00 0.00 O ATOM 539 CB VAL A 46 -25.000 -12.047 4.807 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.603 -13.459 4.364 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.391 -11.723 4.251 1.00 0.00 C ATOM 0 H VAL A 46 -25.225 -9.910 6.001 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.856 -12.581 6.694 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.274 -11.327 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.586 -13.508 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.613 -13.698 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.327 -14.178 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.370 -11.778 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.114 -12.442 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.680 -10.718 4.558 1.00 0.00 H new ATOM 551 N GLN A 47 -22.672 -11.718 6.887 1.00 0.00 N ATOM 552 CA GLN A 47 -21.338 -12.193 7.234 1.00 0.00 C ATOM 553 C GLN A 47 -21.286 -12.634 8.696 1.00 0.00 C ATOM 554 O GLN A 47 -20.603 -13.604 9.020 1.00 0.00 O ATOM 555 CB GLN A 47 -20.357 -11.035 7.016 1.00 0.00 C ATOM 556 CG GLN A 47 -18.917 -11.465 7.308 1.00 0.00 C ATOM 557 CD GLN A 47 -17.979 -10.273 7.131 1.00 0.00 C ATOM 558 OE1 GLN A 47 -18.107 -9.275 7.839 1.00 0.00 O ATOM 559 NE2 GLN A 47 -17.129 -10.256 6.140 1.00 0.00 N ATOM 0 H GLN A 47 -22.711 -10.738 6.608 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.078 -13.049 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.432 -10.681 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.628 -10.200 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.842 -11.852 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.625 -12.273 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.018 -11.080 5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.576 -9.419 5.957 1.00 0.00 H new ATOM 568 N GLN A 48 -21.898 -11.858 9.590 1.00 0.00 N ATOM 569 CA GLN A 48 -22.044 -12.288 10.980 1.00 0.00 C ATOM 570 C GLN A 48 -22.969 -13.496 11.135 1.00 0.00 C ATOM 571 O GLN A 48 -22.749 -14.312 12.022 1.00 0.00 O ATOM 572 CB GLN A 48 -22.490 -11.134 11.884 1.00 0.00 C ATOM 573 CG GLN A 48 -23.912 -10.681 11.540 1.00 0.00 C ATOM 574 CD GLN A 48 -24.344 -9.526 12.442 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.514 -8.887 13.085 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.608 -9.211 12.520 1.00 0.00 N ATOM 0 H GLN A 48 -22.295 -10.942 9.381 1.00 0.00 H new ATOM 0 HA GLN A 48 -21.053 -12.608 11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.447 -11.448 12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.802 -10.296 11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.958 -10.370 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.603 -11.516 11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.299 -9.739 11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.905 -8.436 13.113 1.00 0.00 H new ATOM 585 N LYS A 49 -24.080 -13.533 10.397 1.00 0.00 N ATOM 586 CA LYS A 49 -24.975 -14.692 10.446 1.00 0.00 C ATOM 587 C LYS A 49 -24.274 -15.945 9.939 1.00 0.00 C ATOM 588 O LYS A 49 -24.470 -17.038 10.469 1.00 0.00 O ATOM 589 CB LYS A 49 -26.220 -14.453 9.582 1.00 0.00 C ATOM 590 CG LYS A 49 -27.098 -13.328 10.142 1.00 0.00 C ATOM 591 CD LYS A 49 -27.690 -13.727 11.497 1.00 0.00 C ATOM 592 CE LYS A 49 -28.571 -12.589 12.018 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.171 -12.994 13.319 1.00 0.00 N ATOM 0 H LYS A 49 -24.379 -12.788 9.768 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.266 -14.831 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.914 -14.203 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.802 -15.372 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.507 -12.419 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.901 -13.103 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -28.277 -14.640 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.891 -13.939 12.208 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.979 -11.682 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.356 -12.361 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.771 -12.225 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.748 -13.849 13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.414 -13.192 14.004 1.00 0.00 H new ATOM 607 N ALA A 50 -23.530 -15.784 8.852 1.00 0.00 N ATOM 608 CA ALA A 50 -22.763 -16.879 8.277 1.00 0.00 C ATOM 609 C ALA A 50 -21.502 -17.157 9.094 1.00 0.00 C ATOM 610 O ALA A 50 -20.873 -18.205 8.928 1.00 0.00 O ATOM 611 CB ALA A 50 -22.413 -16.537 6.827 1.00 0.00 C ATOM 0 H ALA A 50 -23.442 -14.901 8.350 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.366 -17.787 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.838 -17.353 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.330 -16.392 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.821 -15.622 6.802 1.00 0.00 H new ATOM 617 N LYS A 51 -21.168 -16.236 10.001 1.00 0.00 N ATOM 618 CA LYS A 51 -19.990 -16.389 10.854 1.00 0.00 C ATOM 619 C LYS A 51 -18.737 -16.684 10.031 1.00 0.00 C ATOM 620 O LYS A 51 -17.835 -17.368 10.511 1.00 0.00 O ATOM 621 CB LYS A 51 -20.202 -17.504 11.889 1.00 0.00 C ATOM 622 CG LYS A 51 -21.342 -17.159 12.856 1.00 0.00 C ATOM 623 CD LYS A 51 -20.974 -15.935 13.705 1.00 0.00 C ATOM 624 CE LYS A 51 -22.119 -15.607 14.667 1.00 0.00 C ATOM 625 NZ LYS A 51 -21.741 -14.422 15.488 1.00 0.00 N ATOM 0 H LYS A 51 -21.696 -15.379 10.163 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.847 -15.442 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.427 -18.440 11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.281 -17.661 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.255 -16.959 12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.547 -18.011 13.505 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.061 -16.132 14.266 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.773 -15.080 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.032 -15.402 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.325 -16.461 15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.515 -14.193 16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.879 -14.636 16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.565 -13.609 14.864 1.00 0.00 H new ATOM 639 N VAL A 52 -18.541 -15.904 8.972 1.00 0.00 N ATOM 640 CA VAL A 52 -17.440 -16.159 8.048 1.00 0.00 C ATOM 641 C VAL A 52 -16.404 -15.059 8.223 1.00 0.00 C ATOM 642 O VAL A 52 -16.752 -13.880 8.292 1.00 0.00 O ATOM 643 CB VAL A 52 -17.929 -16.136 6.594 1.00 0.00 C ATOM 644 CG1 VAL A 52 -16.937 -16.879 5.696 1.00 0.00 C ATOM 645 CG2 VAL A 52 -19.294 -16.815 6.483 1.00 0.00 C ATOM 0 H VAL A 52 -19.122 -15.100 8.734 1.00 0.00 H new ATOM 0 HA VAL A 52 -17.018 -17.141 8.263 1.00 0.00 H new ATOM 0 HB VAL A 52 -18.010 -15.096 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.292 -16.858 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.962 -16.396 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.850 -17.913 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.629 -16.791 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.214 -17.850 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -20.014 -16.288 7.109 1.00 0.00 H new ATOM 655 N LYS A 53 -15.148 -15.459 8.401 1.00 0.00 N ATOM 656 CA LYS A 53 -14.082 -14.484 8.595 1.00 0.00 C ATOM 657 C LYS A 53 -13.587 -13.984 7.245 1.00 0.00 C ATOM 658 O LYS A 53 -13.198 -14.789 6.400 1.00 0.00 O ATOM 659 CB LYS A 53 -12.924 -15.109 9.378 1.00 0.00 C ATOM 660 CG LYS A 53 -13.380 -15.429 10.806 1.00 0.00 C ATOM 661 CD LYS A 53 -12.233 -16.069 11.594 1.00 0.00 C ATOM 662 CE LYS A 53 -12.687 -16.381 13.023 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.561 -17.011 13.770 1.00 0.00 N ATOM 0 H LYS A 53 -14.848 -16.434 8.415 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.475 -13.643 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.585 -16.018 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.076 -14.424 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.709 -14.517 11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.235 -16.104 10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.908 -16.984 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.376 -15.396 11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.005 -15.467 13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.547 -17.050 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.865 -17.225 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.278 -17.892 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.753 -16.357 13.796 1.00 0.00 H new ATOM 677 N ILE A 54 -13.345 -12.678 7.170 1.00 0.00 N ATOM 678 CA ILE A 54 -12.801 -12.076 5.958 1.00 0.00 C ATOM 679 C ILE A 54 -11.689 -11.104 6.347 1.00 0.00 C ATOM 680 O ILE A 54 -11.957 -10.107 7.023 1.00 0.00 O ATOM 681 CB ILE A 54 -13.938 -11.336 5.238 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.798 -12.324 4.439 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.375 -10.290 4.276 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.780 -13.056 5.359 1.00 0.00 C ATOM 0 H ILE A 54 -13.516 -12.020 7.930 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.387 -12.835 5.294 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.548 -10.845 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.348 -11.791 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.157 -13.047 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.196 -9.777 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.780 -9.566 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.747 -10.780 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.380 -13.751 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.225 -13.607 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.435 -12.331 5.843 1.00 0.00 H new ATOM 696 N PRO A 55 -10.418 -11.502 6.147 1.00 0.00 N ATOM 697 CA PRO A 55 -9.253 -10.669 6.555 1.00 0.00 C ATOM 698 C PRO A 55 -9.244 -9.262 5.964 1.00 0.00 C ATOM 699 O PRO A 55 -8.904 -8.310 6.664 1.00 0.00 O ATOM 700 CB PRO A 55 -8.035 -11.462 6.079 1.00 0.00 C ATOM 701 CG PRO A 55 -8.503 -12.875 5.999 1.00 0.00 C ATOM 702 CD PRO A 55 -9.989 -12.816 5.639 1.00 0.00 C ATOM 0 HA PRO A 55 -9.275 -10.496 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.686 -11.106 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.202 -11.361 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.942 -13.428 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.353 -13.388 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.144 -12.900 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.547 -13.628 6.106 1.00 0.00 H new ATOM 710 N ARG A 56 -9.554 -9.148 4.669 1.00 0.00 N ATOM 711 CA ARG A 56 -9.570 -7.842 4.018 1.00 0.00 C ATOM 712 C ARG A 56 -10.748 -7.629 3.067 1.00 0.00 C ATOM 713 O ARG A 56 -11.074 -6.482 2.770 1.00 0.00 O ATOM 714 CB ARG A 56 -8.212 -7.552 3.367 1.00 0.00 C ATOM 715 CG ARG A 56 -7.895 -8.545 2.246 1.00 0.00 C ATOM 716 CD ARG A 56 -6.528 -8.188 1.656 1.00 0.00 C ATOM 717 NE ARG A 56 -6.171 -9.091 0.567 1.00 0.00 N ATOM 718 CZ ARG A 56 -5.484 -10.212 0.783 1.00 0.00 C ATOM 719 NH1 ARG A 56 -5.333 -10.673 1.996 1.00 0.00 N ATOM 720 NH2 ARG A 56 -5.122 -10.950 -0.229 1.00 0.00 N ATOM 0 H ARG A 56 -9.793 -9.932 4.062 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.734 -7.103 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.210 -6.538 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.429 -7.597 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.886 -9.564 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.664 -8.504 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.544 -7.161 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.768 -8.237 2.436 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.455 -8.858 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.742 -10.174 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.806 -11.532 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.365 -10.668 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.596 -11.809 -0.071 1.00 0.00 H new ATOM 734 N LYS A 57 -11.385 -8.692 2.569 1.00 0.00 N ATOM 735 CA LYS A 57 -12.200 -8.539 1.362 1.00 0.00 C ATOM 736 C LYS A 57 -13.359 -7.572 1.598 1.00 0.00 C ATOM 737 O LYS A 57 -13.746 -6.855 0.681 1.00 0.00 O ATOM 738 CB LYS A 57 -12.824 -9.868 0.917 1.00 0.00 C ATOM 739 CG LYS A 57 -11.779 -10.855 0.400 1.00 0.00 C ATOM 740 CD LYS A 57 -12.508 -12.146 0.015 1.00 0.00 C ATOM 741 CE LYS A 57 -11.515 -13.204 -0.473 1.00 0.00 C ATOM 742 NZ LYS A 57 -10.930 -12.761 -1.769 1.00 0.00 N ATOM 0 H LYS A 57 -11.356 -9.632 2.964 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.522 -8.163 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.359 -10.314 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.559 -9.678 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.255 -10.441 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.029 -11.053 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.060 -12.527 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.238 -11.938 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.727 -13.349 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.017 -14.163 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.445 -13.561 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.688 -12.417 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.248 -11.995 -1.598 1.00 0.00 H new ATOM 756 N TRP A 58 -14.041 -7.699 2.737 1.00 0.00 N ATOM 757 CA TRP A 58 -15.018 -6.685 3.134 1.00 0.00 C ATOM 758 C TRP A 58 -14.459 -5.700 4.157 1.00 0.00 C ATOM 759 O TRP A 58 -14.649 -4.492 4.017 1.00 0.00 O ATOM 760 CB TRP A 58 -16.271 -7.373 3.697 1.00 0.00 C ATOM 761 CG TRP A 58 -17.325 -7.456 2.634 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.708 -8.580 1.985 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.898 -6.348 1.880 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.668 -8.237 1.053 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.638 -6.883 0.795 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.588 -4.980 1.840 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.189 -6.067 -0.195 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.084 -4.164 0.817 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.927 -4.696 -0.168 1.00 0.00 C ATOM 0 H TRP A 58 -13.939 -8.477 3.389 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.272 -6.109 2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.020 -8.373 4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.649 -6.816 4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.328 -9.575 2.165 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.312 -8.896 0.615 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.960 -4.552 2.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -19.809 -6.491 -0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.816 -3.118 0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.374 -4.046 -0.906 1.00 0.00 H new ATOM 780 N LYS A 59 -13.557 -6.194 4.997 1.00 0.00 N ATOM 781 CA LYS A 59 -13.064 -5.419 6.131 1.00 0.00 C ATOM 782 C LYS A 59 -12.302 -4.184 5.661 1.00 0.00 C ATOM 783 O LYS A 59 -12.253 -3.186 6.377 1.00 0.00 O ATOM 784 CB LYS A 59 -12.194 -6.300 7.027 1.00 0.00 C ATOM 785 CG LYS A 59 -11.778 -5.506 8.269 1.00 0.00 C ATOM 786 CD LYS A 59 -10.964 -6.393 9.212 1.00 0.00 C ATOM 787 CE LYS A 59 -10.574 -5.605 10.465 1.00 0.00 C ATOM 788 NZ LYS A 59 -9.795 -6.495 11.371 1.00 0.00 N ATOM 0 H LYS A 59 -13.152 -7.127 4.915 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.917 -5.071 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.743 -7.194 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.311 -6.633 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.188 -4.638 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.663 -5.131 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.546 -7.271 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.069 -6.752 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.981 -4.732 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.466 -5.238 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.525 -5.969 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.377 -7.314 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.938 -6.824 10.882 1.00 0.00 H new ATOM 802 N ARG A 60 -11.446 -4.386 4.662 1.00 0.00 N ATOM 803 CA ARG A 60 -10.585 -3.314 4.168 1.00 0.00 C ATOM 804 C ARG A 60 -11.198 -2.610 2.961 1.00 0.00 C ATOM 805 O ARG A 60 -10.595 -1.693 2.406 1.00 0.00 O ATOM 806 CB ARG A 60 -9.211 -3.891 3.812 1.00 0.00 C ATOM 807 CG ARG A 60 -8.534 -4.451 5.069 1.00 0.00 C ATOM 808 CD ARG A 60 -8.144 -3.313 6.018 1.00 0.00 C ATOM 809 NE ARG A 60 -7.598 -3.836 7.266 1.00 0.00 N ATOM 810 CZ ARG A 60 -6.300 -4.099 7.405 1.00 0.00 C ATOM 811 NH1 ARG A 60 -5.538 -4.214 6.351 1.00 0.00 N ATOM 812 NH2 ARG A 60 -5.845 -4.500 8.561 1.00 0.00 N ATOM 0 H ARG A 60 -11.330 -5.278 4.181 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.477 -2.568 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.321 -4.679 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.586 -3.116 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.208 -5.141 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.647 -5.020 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.408 -2.669 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.017 -2.696 6.229 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.226 -4.004 8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.937 -4.102 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.544 -4.415 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.482 -4.610 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.852 -4.703 8.676 1.00 0.00 H new ATOM 826 N ARG A 61 -12.352 -3.100 2.512 1.00 0.00 N ATOM 827 CA ARG A 61 -12.976 -2.571 1.307 1.00 0.00 C ATOM 828 C ARG A 61 -14.366 -2.020 1.619 1.00 0.00 C ATOM 829 O ARG A 61 -15.289 -2.246 0.845 1.00 0.00 O ATOM 830 CB ARG A 61 -13.068 -3.677 0.244 1.00 0.00 C ATOM 831 CG ARG A 61 -11.665 -4.034 -0.256 1.00 0.00 C ATOM 832 CD ARG A 61 -11.722 -5.156 -1.296 1.00 0.00 C ATOM 833 NE ARG A 61 -10.369 -5.479 -1.733 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.131 -6.214 -2.813 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.111 -6.705 -3.519 1.00 0.00 N ATOM 836 NH2 ARG A 61 -8.916 -6.607 -3.066 1.00 0.00 N ATOM 0 H ARG A 61 -12.868 -3.856 2.962 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.364 -1.755 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.549 -4.560 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.687 -3.343 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.195 -3.152 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.043 -4.343 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.199 -6.039 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.327 -4.847 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.579 -5.129 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.077 -6.526 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.912 -7.268 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.155 -6.350 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.725 -7.172 -3.893 1.00 0.00 H new ATOM 850 N TYR A 62 -14.514 -1.223 2.682 1.00 0.00 N ATOM 851 CA TYR A 62 -15.847 -0.704 2.996 1.00 0.00 C ATOM 852 C TYR A 62 -15.790 0.686 3.635 1.00 0.00 C ATOM 853 O TYR A 62 -14.712 1.170 3.971 1.00 0.00 O ATOM 854 CB TYR A 62 -16.606 -1.686 3.897 1.00 0.00 C ATOM 855 CG TYR A 62 -16.215 -1.519 5.350 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.983 -2.018 5.796 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.246 -1.373 6.288 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.624 -1.819 7.137 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.955 -1.426 7.658 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.627 -1.559 8.079 1.00 0.00 C ATOM 861 OH TYR A 62 -15.318 -1.483 9.424 1.00 0.00 O ATOM 0 H TYR A 62 -13.766 -0.934 3.313 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.386 -0.601 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.679 -1.528 3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.400 -2.708 3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.324 -2.544 5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.262 -1.220 5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.588 -1.866 7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.751 -1.365 8.385 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.132 -1.295 9.937 1.00 0.00 H new ATOM 871 N CYS A 63 -16.928 1.384 3.591 1.00 0.00 N ATOM 872 CA CYS A 63 -17.095 2.681 4.256 1.00 0.00 C ATOM 873 C CYS A 63 -17.573 2.537 5.697 1.00 0.00 C ATOM 874 O CYS A 63 -18.444 1.721 5.983 1.00 0.00 O ATOM 875 CB CYS A 63 -18.116 3.548 3.512 1.00 0.00 C ATOM 876 SG CYS A 63 -17.668 5.290 3.727 1.00 0.00 S ATOM 0 H CYS A 63 -17.760 1.067 3.094 1.00 0.00 H new ATOM 0 HA CYS A 63 -16.111 3.150 4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.130 3.290 2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -19.119 3.366 3.898 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.042 5.966 2.682 1.00 0.00 H new ATOM 881 N LYS A 64 -17.101 3.434 6.565 1.00 0.00 N ATOM 882 CA LYS A 64 -17.390 3.323 7.994 1.00 0.00 C ATOM 883 C LYS A 64 -18.882 3.461 8.293 1.00 0.00 C ATOM 884 O LYS A 64 -19.450 2.641 9.013 1.00 0.00 O ATOM 885 CB LYS A 64 -16.682 4.480 8.711 1.00 0.00 C ATOM 886 CG LYS A 64 -15.159 4.326 8.655 1.00 0.00 C ATOM 887 CD LYS A 64 -14.520 5.543 9.334 1.00 0.00 C ATOM 888 CE LYS A 64 -12.994 5.475 9.244 1.00 0.00 C ATOM 889 NZ LYS A 64 -12.501 4.344 10.079 1.00 0.00 N ATOM 0 H LYS A 64 -16.524 4.235 6.307 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.052 2.342 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.970 5.425 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.007 4.519 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.853 3.408 9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.824 4.250 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.876 6.458 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.826 5.584 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.685 5.338 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.556 6.413 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.471 4.425 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.962 4.373 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.725 3.443 9.610 1.00 0.00 H new ATOM 903 N LYS A 65 -19.535 4.410 7.622 1.00 0.00 N ATOM 904 CA LYS A 65 -20.984 4.555 7.711 1.00 0.00 C ATOM 905 C LYS A 65 -21.706 3.712 6.666 1.00 0.00 C ATOM 906 O LYS A 65 -22.648 2.982 6.977 1.00 0.00 O ATOM 907 CB LYS A 65 -21.350 6.032 7.537 1.00 0.00 C ATOM 908 CG LYS A 65 -22.855 6.202 7.748 1.00 0.00 C ATOM 909 CD LYS A 65 -23.220 7.685 7.679 1.00 0.00 C ATOM 910 CE LYS A 65 -24.725 7.865 7.907 1.00 0.00 C ATOM 911 NZ LYS A 65 -25.478 7.294 6.757 1.00 0.00 N ATOM 0 H LYS A 65 -19.081 5.089 7.011 1.00 0.00 H new ATOM 0 HA LYS A 65 -21.304 4.200 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -20.799 6.643 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -21.069 6.374 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -23.404 5.647 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -23.145 5.791 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -22.661 8.241 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.940 8.092 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -25.024 7.371 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.962 8.923 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -26.456 7.647 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -25.021 7.579 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -25.483 6.256 6.826 1.00 0.00 H new ATOM 925 N CYS A 66 -21.275 3.875 5.418 1.00 0.00 N ATOM 926 CA CYS A 66 -22.071 3.433 4.276 1.00 0.00 C ATOM 927 C CYS A 66 -22.044 1.922 4.162 1.00 0.00 C ATOM 928 O CYS A 66 -22.866 1.347 3.448 1.00 0.00 O ATOM 929 CB CYS A 66 -21.548 4.062 2.985 1.00 0.00 C ATOM 930 SG CYS A 66 -21.446 5.838 3.285 1.00 0.00 S ATOM 0 H CYS A 66 -20.384 4.307 5.172 1.00 0.00 H new ATOM 0 HA CYS A 66 -23.101 3.755 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.571 3.656 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.216 3.847 2.151 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.199 6.190 3.388 1.00 0.00 H new ATOM 935 N HIS A 67 -20.904 1.365 4.556 1.00 0.00 N ATOM 936 CA HIS A 67 -20.710 -0.073 4.478 1.00 0.00 C ATOM 937 C HIS A 67 -20.673 -0.467 3.006 1.00 0.00 C ATOM 938 O HIS A 67 -21.710 -0.852 2.486 1.00 0.00 O ATOM 939 CB HIS A 67 -21.833 -0.792 5.238 1.00 0.00 C ATOM 940 CG HIS A 67 -21.712 -0.477 6.704 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.821 -0.391 7.532 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.656 -0.018 7.455 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.380 -0.031 8.747 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.130 0.424 8.687 1.00 0.00 N ATOM 0 H HIS A 67 -20.109 1.884 4.929 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.770 -0.367 4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.806 -0.473 4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.767 -1.868 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -19.623 -0.003 7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.962 -0.101 9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -20.631 0.973 9.387 1.00 0.00 H new ATOM 953 N ALA A 68 -19.762 0.194 2.294 1.00 0.00 N ATOM 954 CA ALA A 68 -19.787 0.221 0.835 1.00 0.00 C ATOM 955 C ALA A 68 -18.443 -0.218 0.276 1.00 0.00 C ATOM 956 O ALA A 68 -17.446 0.420 0.606 1.00 0.00 O ATOM 957 CB ALA A 68 -20.044 1.649 0.359 1.00 0.00 C ATOM 0 H ALA A 68 -18.993 0.721 2.708 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.573 -0.452 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.063 1.671 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.003 1.995 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.250 2.302 0.721 1.00 0.00 H new ATOM 963 N PHE A 69 -18.489 -0.863 -0.887 1.00 0.00 N ATOM 964 CA PHE A 69 -17.294 -1.503 -1.415 1.00 0.00 C ATOM 965 C PHE A 69 -16.362 -0.399 -1.903 1.00 0.00 C ATOM 966 O PHE A 69 -16.653 0.245 -2.905 1.00 0.00 O ATOM 967 CB PHE A 69 -17.686 -2.393 -2.600 1.00 0.00 C ATOM 968 CG PHE A 69 -16.482 -3.149 -3.113 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.998 -4.226 -2.358 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.096 -3.023 -4.459 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.056 -5.102 -2.906 1.00 0.00 C ATOM 972 CE2 PHE A 69 -15.150 -3.903 -5.001 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.713 -5.004 -4.256 1.00 0.00 C ATOM 0 H PHE A 69 -19.322 -0.954 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.808 -2.112 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.461 -3.096 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.107 -1.782 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -16.354 -4.380 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -16.528 -2.248 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.593 -5.855 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -14.758 -3.732 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.114 -5.773 -4.722 1.00 0.00 H new ATOM 983 N LEU A 70 -15.186 -0.260 -1.300 1.00 0.00 N ATOM 984 CA LEU A 70 -14.589 1.072 -1.326 1.00 0.00 C ATOM 985 C LEU A 70 -13.675 1.165 -2.544 1.00 0.00 C ATOM 986 O LEU A 70 -12.576 0.610 -2.553 1.00 0.00 O ATOM 987 CB LEU A 70 -13.809 1.376 -0.041 1.00 0.00 C ATOM 988 CG LEU A 70 -13.980 2.852 0.363 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.833 3.791 -0.840 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.358 3.069 1.001 1.00 0.00 C ATOM 0 H LEU A 70 -14.659 -0.991 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.384 1.815 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.159 0.730 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.752 1.155 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.194 3.085 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.960 4.823 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.843 3.669 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.592 3.550 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.468 4.116 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.136 2.802 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.451 2.443 1.888 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.266 1.646 -3.633 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.608 1.662 -4.934 1.00 0.00 C ATOM 1004 C VAL A 71 -13.786 3.045 -5.549 1.00 0.00 C ATOM 1005 O VAL A 71 -14.908 3.540 -5.625 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.221 0.600 -5.855 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.795 0.854 -7.305 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.762 -0.797 -5.424 1.00 0.00 C ATOM 0 H VAL A 71 -15.209 2.034 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.548 1.439 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.307 0.659 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.235 0.095 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.138 1.840 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.708 0.808 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.202 -1.544 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.675 -0.857 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.081 -0.985 -4.399 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.687 3.753 -5.842 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.784 5.094 -6.479 1.00 0.00 C ATOM 1020 C PRO A 72 -13.446 5.028 -7.853 1.00 0.00 C ATOM 1021 O PRO A 72 -13.097 4.185 -8.677 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.332 5.573 -6.582 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.551 4.731 -5.626 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.301 3.406 -5.484 1.00 0.00 C ATOM 0 HA PRO A 72 -13.407 5.774 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.955 5.460 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.251 6.630 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.539 4.564 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.459 5.228 -4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.895 2.642 -6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.235 3.015 -4.469 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.219 6.065 -8.157 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.863 6.213 -9.455 1.00 0.00 C ATOM 1034 C GLY A 73 -16.317 5.746 -9.423 1.00 0.00 C ATOM 1035 O GLY A 73 -17.054 6.027 -10.367 1.00 0.00 O ATOM 0 H GLY A 73 -14.416 6.827 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.823 7.258 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.313 5.639 -10.201 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.686 4.903 -8.453 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.997 4.252 -8.519 1.00 0.00 C ATOM 1041 C ILE A 74 -19.017 4.825 -7.534 1.00 0.00 C ATOM 1042 O ILE A 74 -19.811 5.682 -7.915 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.840 2.748 -8.279 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.012 2.153 -9.422 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.220 2.083 -8.270 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.612 0.713 -9.097 1.00 0.00 C ATOM 0 H ILE A 74 -16.118 4.662 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.387 4.445 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.346 2.578 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.588 2.177 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.120 2.757 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.107 1.012 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.827 2.515 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.709 2.247 -9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.024 0.304 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.018 0.698 -8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.509 0.109 -8.957 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.890 4.490 -6.247 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.719 5.128 -5.225 1.00 0.00 C ATOM 1060 C ASN A 75 -18.921 6.216 -4.529 1.00 0.00 C ATOM 1061 O ASN A 75 -19.385 6.837 -3.582 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.170 4.107 -4.176 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.985 3.623 -3.345 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.829 3.807 -3.728 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.203 3.312 -2.100 1.00 0.00 N ATOM 0 H ASN A 75 -18.234 3.794 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.596 5.552 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.918 4.556 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.645 3.259 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.420 3.223 -1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.157 3.157 -1.772 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.663 6.318 -4.925 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.718 7.177 -4.239 1.00 0.00 C ATOM 1074 C ALA A 76 -15.635 7.583 -5.221 1.00 0.00 C ATOM 1075 O ALA A 76 -15.491 6.940 -6.247 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.081 6.428 -3.065 1.00 0.00 C ATOM 0 H ALA A 76 -17.273 5.814 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.235 8.057 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.373 7.083 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.858 6.121 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.558 5.547 -3.436 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.037 8.748 -5.014 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.022 9.224 -5.947 1.00 0.00 C ATOM 1084 C ARG A 77 -12.755 9.621 -5.207 1.00 0.00 C ATOM 1085 O ARG A 77 -12.821 10.175 -4.113 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.543 10.390 -6.796 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.588 10.618 -7.971 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.104 11.741 -8.876 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.084 13.026 -8.178 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.568 14.132 -8.737 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.133 14.057 -9.909 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -14.167 15.291 -8.291 1.00 0.00 N ATOM 0 H ARG A 77 -15.230 9.369 -4.228 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.783 8.403 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.545 10.170 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.617 11.293 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.596 10.872 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.485 9.698 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.489 11.801 -9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.120 11.514 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.689 13.076 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.200 13.158 -10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.508 14.897 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.494 15.338 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.527 16.150 -8.707 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.616 9.364 -5.843 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.326 9.677 -5.240 1.00 0.00 C ATOM 1108 C VAL A 78 -9.559 10.586 -6.190 1.00 0.00 C ATOM 1109 O VAL A 78 -9.710 10.477 -7.404 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.522 8.401 -4.949 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -8.984 7.811 -6.257 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.341 8.716 -4.019 1.00 0.00 C ATOM 0 H VAL A 78 -11.560 8.942 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.486 10.181 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.182 7.681 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.415 6.907 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.817 7.567 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.336 8.539 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.780 7.803 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.688 9.447 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.716 9.122 -3.080 1.00 0.00 H new ATOM 1122 N ARG A 79 -8.998 11.651 -5.632 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.130 12.525 -6.408 1.00 0.00 C ATOM 1124 C ARG A 79 -6.700 12.290 -5.950 1.00 0.00 C ATOM 1125 O ARG A 79 -6.455 12.203 -4.753 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.521 13.987 -6.181 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.673 14.902 -7.064 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.071 16.358 -6.827 1.00 0.00 C ATOM 1129 NE ARG A 79 -7.352 17.217 -7.762 1.00 0.00 N ATOM 1130 CZ ARG A 79 -7.842 17.491 -8.969 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -8.941 16.918 -9.383 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -7.147 18.228 -9.792 1.00 0.00 N ATOM 0 H ARG A 79 -9.126 11.927 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.227 12.308 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.578 14.128 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.382 14.250 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.616 14.763 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.813 14.643 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.146 16.478 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.842 16.647 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.455 17.616 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.429 16.256 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.311 17.133 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.236 18.589 -9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.515 18.443 -10.719 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.804 12.046 -6.901 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.399 11.839 -6.568 1.00 0.00 C ATOM 1148 C LEU A 80 -3.624 13.095 -6.942 1.00 0.00 C ATOM 1149 O LEU A 80 -3.691 13.550 -8.082 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.842 10.647 -7.358 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.762 9.424 -7.224 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.956 9.559 -8.176 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.995 8.150 -7.587 1.00 0.00 C ATOM 0 H LEU A 80 -6.021 11.987 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.301 11.634 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.740 10.917 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.845 10.399 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.112 9.367 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.603 8.688 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.519 10.459 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.597 9.626 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.655 7.288 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.639 8.220 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.144 8.034 -6.916 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.061 13.750 -5.932 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.406 15.038 -6.135 1.00 0.00 C ATOM 1167 C ARG A 81 -0.915 14.879 -6.426 1.00 0.00 C ATOM 1168 O ARG A 81 -0.269 13.963 -5.924 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.649 15.965 -4.938 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.129 16.364 -4.925 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.418 17.295 -3.747 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.826 17.676 -3.760 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.278 18.717 -3.065 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.478 19.712 -2.786 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -7.568 18.887 -2.963 1.00 0.00 N ATOM 0 H ARG A 81 -3.045 13.413 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.852 15.500 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.384 15.461 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.018 16.851 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.387 16.860 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.752 15.473 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.174 16.797 -2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.790 18.183 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.482 17.129 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.508 19.690 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.824 20.510 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.206 18.229 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.938 19.678 -2.435 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.425 15.721 -7.336 1.00 0.00 N ATOM 1190 CA GLN A 82 0.853 15.515 -8.021 1.00 0.00 C ATOM 1191 C GLN A 82 2.001 15.609 -7.024 1.00 0.00 C ATOM 1192 O GLN A 82 1.752 15.671 -5.818 1.00 0.00 O ATOM 1193 CB GLN A 82 1.033 16.609 -9.075 1.00 0.00 C ATOM 1194 CG GLN A 82 0.006 16.423 -10.192 1.00 0.00 C ATOM 1195 CD GLN A 82 0.127 17.568 -11.191 1.00 0.00 C ATOM 1196 OE1 GLN A 82 -0.124 18.720 -10.838 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.730 17.361 -12.329 1.00 0.00 N ATOM 0 H GLN A 82 -0.908 16.573 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 82 0.854 14.529 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.913 17.591 -8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.042 16.569 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.168 15.469 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.000 16.396 -9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.941 16.409 -12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.990 18.151 -12.919 1.00 0.00 H new ATOM 1206 N LYS A 83 3.246 15.685 -7.503 1.00 0.00 N ATOM 1207 CA LYS A 83 4.347 15.546 -6.560 1.00 0.00 C ATOM 1208 C LYS A 83 4.456 16.867 -5.799 1.00 0.00 C ATOM 1209 O LYS A 83 5.367 17.668 -6.013 1.00 0.00 O ATOM 1210 CB LYS A 83 5.642 15.247 -7.327 1.00 0.00 C ATOM 1211 CG LYS A 83 5.548 13.871 -7.994 1.00 0.00 C ATOM 1212 CD LYS A 83 6.845 13.589 -8.763 1.00 0.00 C ATOM 1213 CE LYS A 83 6.804 12.200 -9.410 1.00 0.00 C ATOM 1214 NZ LYS A 83 5.728 12.162 -10.443 1.00 0.00 N ATOM 0 H LYS A 83 3.504 15.833 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 83 4.176 14.725 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.814 16.015 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.493 15.273 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.383 13.100 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.696 13.841 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.990 14.349 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.696 13.654 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.768 11.971 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.621 11.439 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.849 11.319 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.800 12.125 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.784 13.016 -11.034 1.00 0.00 H new ATOM 1228 N ARG A 84 3.784 16.813 -4.657 1.00 0.00 N ATOM 1229 CA ARG A 84 4.016 17.606 -3.464 1.00 0.00 C ATOM 1230 C ARG A 84 4.182 16.591 -2.338 1.00 0.00 C ATOM 1231 O ARG A 84 4.722 15.513 -2.580 1.00 0.00 O ATOM 1232 CB ARG A 84 2.885 18.612 -3.216 1.00 0.00 C ATOM 1233 CG ARG A 84 1.558 17.907 -2.927 1.00 0.00 C ATOM 1234 CD ARG A 84 0.487 18.956 -2.632 1.00 0.00 C ATOM 1235 NE ARG A 84 -0.769 18.301 -2.287 1.00 0.00 N ATOM 1236 CZ ARG A 84 -1.818 18.988 -1.855 1.00 0.00 C ATOM 1237 NH1 ARG A 84 -1.812 20.293 -1.905 1.00 0.00 N ATOM 1238 NH2 ARG A 84 -2.711 18.378 -1.122 1.00 0.00 N ATOM 0 H ARG A 84 3.006 16.165 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 84 4.904 18.232 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.147 19.255 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.773 19.257 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.262 17.298 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.668 17.233 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.810 19.597 -1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.345 19.598 -3.501 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.843 17.288 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.000 20.785 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.620 20.820 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.594 17.391 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.525 18.889 -0.780 1.00 0.00 H new ATOM 1252 N MET A 85 3.870 16.964 -1.100 1.00 0.00 N ATOM 1253 CA MET A 85 3.842 15.938 -0.059 1.00 0.00 C ATOM 1254 C MET A 85 2.550 15.137 -0.211 1.00 0.00 C ATOM 1255 O MET A 85 1.484 15.743 -0.218 1.00 0.00 O ATOM 1256 CB MET A 85 3.812 16.544 1.352 1.00 0.00 C ATOM 1257 CG MET A 85 4.486 17.915 1.412 1.00 0.00 C ATOM 1258 SD MET A 85 4.971 18.251 3.123 1.00 0.00 S ATOM 1259 CE MET A 85 3.515 19.209 3.611 1.00 0.00 C ATOM 0 H MET A 85 3.645 17.913 -0.802 1.00 0.00 H new ATOM 0 HA MET A 85 4.740 15.331 -0.173 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.778 16.636 1.683 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.310 15.867 2.046 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.360 17.935 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.804 18.687 1.054 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.615 19.519 4.651 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.430 20.091 2.976 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.621 18.595 3.500 1.00 0.00 H new ATOM 1269 N PRO A 86 2.633 13.905 -0.772 1.00 0.00 N ATOM 1270 CA PRO A 86 1.523 13.354 -1.600 1.00 0.00 C ATOM 1271 C PRO A 86 0.236 13.219 -0.794 1.00 0.00 C ATOM 1272 O PRO A 86 0.262 12.782 0.355 1.00 0.00 O ATOM 1273 CB PRO A 86 2.010 11.972 -2.047 1.00 0.00 C ATOM 1274 CG PRO A 86 3.489 11.959 -1.854 1.00 0.00 C ATOM 1275 CD PRO A 86 3.850 13.080 -0.876 1.00 0.00 C ATOM 0 HA PRO A 86 1.292 14.011 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.536 11.185 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.754 11.790 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.814 10.994 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.999 12.106 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.138 12.678 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.693 13.666 -1.242 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.889 13.482 -1.450 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.197 13.346 -0.818 1.00 0.00 C ATOM 1285 C HIS A 87 -3.174 12.699 -1.792 1.00 0.00 C ATOM 1286 O HIS A 87 -3.138 12.981 -2.990 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.717 14.721 -0.384 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.794 15.316 0.646 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -1.674 14.785 1.918 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -1.012 16.449 0.645 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.631 15.396 2.503 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -0.265 16.481 1.820 1.00 0.00 N ATOM 0 H HIS A 87 -0.922 13.791 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.103 12.713 0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.787 15.382 -1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.722 14.626 0.027 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.983 17.192 -0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.152 15.053 3.408 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.418 17.186 2.099 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.024 11.816 -1.278 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.192 11.377 -2.033 1.00 0.00 C ATOM 1303 C ILE A 88 -6.446 11.647 -1.212 1.00 0.00 C ATOM 1304 O ILE A 88 -6.403 11.524 0.008 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.100 9.885 -2.373 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.112 9.030 -1.101 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -3.780 9.636 -3.113 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.195 7.546 -1.469 1.00 0.00 C ATOM 0 H ILE A 88 -3.929 11.395 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.234 11.932 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.957 9.611 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.211 9.219 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.961 9.306 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.697 8.578 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.758 10.228 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.945 9.924 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.203 6.945 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.109 7.362 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.332 7.273 -2.076 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.469 12.230 -1.830 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.675 12.568 -1.080 1.00 0.00 C ATOM 1322 C VAL A 89 -9.860 11.794 -1.639 1.00 0.00 C ATOM 1323 O VAL A 89 -10.110 11.804 -2.839 1.00 0.00 O ATOM 1324 CB VAL A 89 -8.949 14.077 -1.126 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -7.779 14.837 -0.498 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.151 14.573 -2.561 1.00 0.00 C ATOM 0 H VAL A 89 -7.490 12.473 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.525 12.289 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.865 14.261 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.980 15.908 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.657 14.525 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.865 14.620 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.343 15.646 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.254 14.370 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.000 14.057 -3.008 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.600 11.158 -0.742 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.600 10.182 -1.139 1.00 0.00 C ATOM 1338 C VAL A 90 -12.952 10.674 -0.641 1.00 0.00 C ATOM 1339 O VAL A 90 -13.177 10.703 0.567 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.275 8.824 -0.503 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.450 7.854 -0.665 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.030 8.219 -1.159 1.00 0.00 C ATOM 0 H VAL A 90 -10.525 11.302 0.265 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.613 10.065 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.089 8.984 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.198 6.898 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.333 8.268 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.656 7.706 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.809 7.256 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.211 8.080 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.183 8.890 -1.020 1.00 0.00 H new ATOM 1352 N LYS A 91 -13.922 10.690 -1.548 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.276 11.084 -1.197 1.00 0.00 C ATOM 1354 C LYS A 91 -16.191 9.929 -1.564 1.00 0.00 C ATOM 1355 O LYS A 91 -16.394 9.683 -2.750 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.752 12.359 -1.918 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.055 12.623 -3.263 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.572 12.987 -3.109 1.00 0.00 C ATOM 1359 CE LYS A 91 -12.970 13.260 -4.489 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.532 13.621 -4.343 1.00 0.00 N ATOM 0 H LYS A 91 -13.794 10.435 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.299 11.312 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.826 12.287 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.589 13.215 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.142 11.737 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.570 13.432 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.466 13.866 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.035 12.174 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.072 12.379 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.511 14.069 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.051 13.509 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.452 14.609 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.087 12.997 -3.640 1.00 0.00 H new ATOM 1374 N CYS A 92 -16.965 9.452 -0.593 1.00 0.00 N ATOM 1375 CA CYS A 92 -17.876 8.348 -0.873 1.00 0.00 C ATOM 1376 C CYS A 92 -19.297 8.885 -0.767 1.00 0.00 C ATOM 1377 O CYS A 92 -19.769 9.183 0.326 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.624 7.187 0.099 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.091 6.141 0.311 1.00 0.00 S ATOM 0 H CYS A 92 -16.981 9.800 0.366 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.714 7.952 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -16.797 6.580 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.321 7.585 1.067 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.654 6.409 1.452 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.048 8.671 -1.840 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.332 9.330 -2.045 1.00 0.00 C ATOM 1386 C LEU A 93 -22.307 8.915 -0.953 1.00 0.00 C ATOM 1387 O LEU A 93 -23.171 9.692 -0.550 1.00 0.00 O ATOM 1388 CB LEU A 93 -21.873 8.999 -3.435 1.00 0.00 C ATOM 1389 CG LEU A 93 -20.988 9.706 -4.470 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.312 9.197 -5.878 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.219 11.221 -4.418 1.00 0.00 C ATOM 0 H LEU A 93 -19.784 8.036 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.201 10.411 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.866 7.922 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -22.908 9.329 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.946 9.490 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.678 9.706 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.131 8.123 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.359 9.399 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.585 11.711 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.265 11.437 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -20.971 11.593 -3.424 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.251 7.636 -0.610 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.241 7.031 0.267 1.00 0.00 C ATOM 1405 C GLU A 94 -23.190 7.689 1.645 1.00 0.00 C ATOM 1406 O GLU A 94 -24.220 7.765 2.321 1.00 0.00 O ATOM 1407 CB GLU A 94 -22.948 5.535 0.394 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.180 4.867 -0.966 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.855 3.373 -0.930 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -22.623 2.851 0.147 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.534 2.850 -1.983 1.00 0.00 O ATOM 0 H GLU A 94 -21.525 6.994 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.236 7.175 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.920 5.379 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.594 5.087 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.219 5.005 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.563 5.355 -1.720 1.00 0.00 H new ATOM 1418 N CYS A 95 -21.988 8.051 2.113 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.898 8.970 3.246 1.00 0.00 C ATOM 1420 C CYS A 95 -22.122 10.410 2.792 1.00 0.00 C ATOM 1421 O CYS A 95 -22.469 11.259 3.608 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.569 8.906 4.011 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.140 8.654 2.932 1.00 0.00 S ATOM 0 H CYS A 95 -21.095 7.732 1.737 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.682 8.645 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.435 9.831 4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.614 8.096 4.739 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.414 9.092 1.739 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.659 10.726 1.583 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.653 12.106 1.090 1.00 0.00 C ATOM 1430 C GLY A 96 -20.449 12.912 1.576 1.00 0.00 C ATOM 1431 O GLY A 96 -20.369 14.120 1.331 1.00 0.00 O ATOM 0 H GLY A 96 -21.282 10.044 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.660 12.096 0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.569 12.604 1.410 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.466 12.219 2.139 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.396 12.863 2.894 1.00 0.00 C ATOM 1437 C HIS A 97 -17.018 12.575 2.309 1.00 0.00 C ATOM 1438 O HIS A 97 -16.815 11.566 1.634 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.450 12.454 4.365 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.718 12.992 4.970 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.896 14.353 5.153 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.697 12.405 5.734 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.072 14.525 5.781 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.667 13.357 6.032 1.00 0.00 N ATOM 0 H HIS A 97 -19.387 11.203 2.086 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.558 13.938 2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.419 11.368 4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.582 12.844 4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.711 11.373 6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.483 15.487 6.049 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.617 13.198 6.366 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.133 13.559 2.475 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.785 13.527 1.917 1.00 0.00 C ATOM 1455 C ILE A 98 -13.745 13.230 2.993 1.00 0.00 C ATOM 1456 O ILE A 98 -13.896 13.643 4.141 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.482 14.865 1.224 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.023 14.940 0.754 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.766 16.030 2.177 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.642 13.726 -0.095 1.00 0.00 C ATOM 0 H ILE A 98 -16.336 14.406 3.005 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.733 12.723 1.183 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.130 14.935 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.873 15.851 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.364 15.001 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.548 16.972 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.815 16.011 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.138 15.937 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.602 13.814 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.767 12.817 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.285 13.681 -0.974 1.00 0.00 H new ATOM 1472 N MET A 99 -12.925 12.230 2.686 1.00 0.00 N ATOM 1473 CA MET A 99 -11.824 11.814 3.548 1.00 0.00 C ATOM 1474 C MET A 99 -10.490 12.099 2.869 1.00 0.00 C ATOM 1475 O MET A 99 -10.274 11.651 1.748 1.00 0.00 O ATOM 1476 CB MET A 99 -11.936 10.310 3.806 1.00 0.00 C ATOM 1477 CG MET A 99 -13.180 10.022 4.649 1.00 0.00 C ATOM 1478 SD MET A 99 -13.380 8.231 4.830 1.00 0.00 S ATOM 1479 CE MET A 99 -11.926 7.924 5.865 1.00 0.00 C ATOM 0 H MET A 99 -13.006 11.683 1.829 1.00 0.00 H new ATOM 0 HA MET A 99 -11.875 12.366 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.994 9.772 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.045 9.952 4.322 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.085 10.490 5.629 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.062 10.452 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.188 7.231 6.665 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.131 7.492 5.257 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.582 8.864 6.297 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.525 12.570 3.654 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.179 12.831 3.148 1.00 0.00 C ATOM 1491 C ARG A 100 -7.228 11.718 3.575 1.00 0.00 C ATOM 1492 O ARG A 100 -7.149 11.382 4.757 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.676 14.177 3.675 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.501 15.306 3.049 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.048 16.660 3.601 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.830 17.745 3.017 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.440 18.371 1.907 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.431 17.916 1.217 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.217 19.270 1.372 1.00 0.00 N ATOM 0 H ARG A 100 -9.650 12.779 4.645 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.214 12.864 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.759 14.209 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.621 14.304 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.388 15.291 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.559 15.154 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.156 16.670 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.990 16.811 3.385 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.698 18.032 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.938 17.079 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.135 18.398 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.115 19.489 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.927 19.754 0.522 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.406 11.267 2.631 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.428 10.219 2.907 1.00 0.00 C ATOM 1515 C TYR A 101 -4.034 10.670 2.478 1.00 0.00 C ATOM 1516 O TYR A 101 -3.774 10.815 1.283 1.00 0.00 O ATOM 1517 CB TYR A 101 -5.814 8.933 2.166 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.311 7.896 3.149 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -7.495 8.125 3.869 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -5.665 6.656 3.245 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -7.985 7.142 4.738 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -6.163 5.673 4.109 1.00 0.00 C ATOM 1523 CZ TYR A 101 -7.289 5.939 4.897 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.704 5.020 5.839 1.00 0.00 O ATOM 0 H TYR A 101 -6.398 11.610 1.670 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.418 10.022 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.588 9.147 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.953 8.546 1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.027 9.058 3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.784 6.459 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.900 7.313 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.678 4.710 4.167 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.111 4.240 5.818 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.213 11.136 3.439 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.780 11.471 3.189 1.00 0.00 C ATOM 1536 C PRO A 102 -0.973 10.251 2.762 1.00 0.00 C ATOM 1537 O PRO A 102 -1.131 9.175 3.338 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.274 12.029 4.526 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.498 12.355 5.316 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.574 11.377 4.847 1.00 0.00 C ATOM 0 HA PRO A 102 -1.672 12.184 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.655 11.298 5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.659 12.916 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.313 12.248 6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.808 13.386 5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.563 10.456 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.574 11.802 4.940 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.013 10.463 1.863 1.00 0.00 N ATOM 1549 CA TYR A 103 0.891 9.395 1.443 1.00 0.00 C ATOM 1550 C TYR A 103 2.316 9.926 1.297 1.00 0.00 C ATOM 1551 O TYR A 103 2.509 11.073 0.907 1.00 0.00 O ATOM 1552 CB TYR A 103 0.395 8.822 0.111 1.00 0.00 C ATOM 1553 CG TYR A 103 1.282 7.677 -0.318 1.00 0.00 C ATOM 1554 CD1 TYR A 103 1.171 6.435 0.318 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.246 7.868 -1.315 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.906 5.346 -0.154 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.987 6.777 -1.785 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.815 5.515 -1.206 1.00 0.00 C ATOM 1559 OH TYR A 103 3.678 4.489 -1.539 1.00 0.00 O ATOM 0 H TYR A 103 0.158 11.362 1.413 1.00 0.00 H new ATOM 0 HA TYR A 103 0.902 8.609 2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.634 8.478 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.396 9.600 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.519 6.320 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.418 8.854 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.773 4.372 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.691 6.909 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 103 4.242 4.767 -2.291 1.00 0.00 H new