USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= -4.99! C(o=-5.9!,f=-12!) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.954! C(o=-5.9!,f=-11!) USER MOD Set 2.1: A 19 SER OG : rot 170:sc= -0.365 USER MOD Set 2.2: A 66 TYR OH : rot -88:sc= 0.967 USER MOD Set 2.3: A 70 MET CE :methyl -166:sc= -4.11! (180deg=-3.33) USER MOD Single : A 11 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.2!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -141:sc= -1.74 (180deg=-6.2!) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0166) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -101:sc= -0.692 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= -0.0166 (180deg=-0.0332) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 127:sc= -0.655 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0535 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -110:sc= -1.33 (180deg=-3.64!) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= -0.429 (180deg=-1.38!) USER MOD Single : A 79 ASN : amide:sc= -2.68! C(o=-2.7!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0738 (180deg=-0.398) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -9.221 16.047 0.689 1.00 0.00 N ATOM 78 CA ALA A 9 -7.994 15.410 0.228 1.00 0.00 C ATOM 79 C ALA A 9 -7.586 14.269 1.154 1.00 0.00 C ATOM 80 O ALA A 9 -7.197 13.194 0.697 1.00 0.00 O ATOM 81 CB ALA A 9 -6.874 16.434 0.123 1.00 0.00 C ATOM 0 HA ALA A 9 -8.181 14.991 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.964 15.944 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.158 17.212 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.697 16.881 1.101 1.00 0.00 H new ATOM 87 N ASP A 10 -7.676 14.510 2.457 1.00 0.00 N ATOM 88 CA ASP A 10 -7.317 13.503 3.448 1.00 0.00 C ATOM 89 C ASP A 10 -8.215 12.276 3.326 1.00 0.00 C ATOM 90 O ASP A 10 -7.746 11.141 3.411 1.00 0.00 O ATOM 91 CB ASP A 10 -7.417 14.086 4.859 1.00 0.00 C ATOM 92 CG ASP A 10 -6.680 13.248 5.885 1.00 0.00 C ATOM 93 OD1 ASP A 10 -5.458 13.447 6.046 1.00 0.00 O ATOM 94 OD2 ASP A 10 -7.326 12.393 6.528 1.00 0.00 O ATOM 0 H ASP A 10 -7.995 15.395 2.852 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.287 13.197 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.011 15.097 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.466 14.163 5.143 1.00 0.00 H new ATOM 99 N GLN A 11 -9.508 12.513 3.128 1.00 0.00 N ATOM 100 CA GLN A 11 -10.471 11.426 2.996 1.00 0.00 C ATOM 101 C GLN A 11 -10.110 10.517 1.826 1.00 0.00 C ATOM 102 O GLN A 11 -10.417 9.324 1.837 1.00 0.00 O ATOM 103 CB GLN A 11 -11.882 11.987 2.805 1.00 0.00 C ATOM 104 CG GLN A 11 -12.625 12.223 4.110 1.00 0.00 C ATOM 105 CD GLN A 11 -11.774 12.929 5.147 1.00 0.00 C ATOM 106 OE1 GLN A 11 -10.755 12.403 5.594 1.00 0.00 O ATOM 107 NE2 GLN A 11 -12.189 14.129 5.535 1.00 0.00 N ATOM 0 H GLN A 11 -9.912 13.447 3.056 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.443 10.836 3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.819 12.927 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.458 11.297 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.518 12.817 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.960 11.266 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.040 14.527 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.657 14.653 6.230 1.00 0.00 H new ATOM 116 N ILE A 12 -9.458 11.088 0.819 1.00 0.00 N ATOM 117 CA ILE A 12 -9.055 10.328 -0.358 1.00 0.00 C ATOM 118 C ILE A 12 -8.051 9.240 0.007 1.00 0.00 C ATOM 119 O ILE A 12 -8.386 8.056 0.037 1.00 0.00 O ATOM 120 CB ILE A 12 -8.437 11.242 -1.433 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.489 12.211 -1.976 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.846 10.408 -2.560 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.924 13.249 -2.921 1.00 0.00 C ATOM 0 H ILE A 12 -9.198 12.074 0.794 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.957 9.866 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.635 11.824 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.262 11.643 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.971 12.717 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.413 11.067 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.070 9.754 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.631 9.804 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.726 13.901 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.172 13.843 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.467 12.752 -3.776 1.00 0.00 H new ATOM 135 N ARG A 13 -6.818 9.651 0.286 1.00 0.00 N ATOM 136 CA ARG A 13 -5.764 8.711 0.651 1.00 0.00 C ATOM 137 C ARG A 13 -6.257 7.725 1.706 1.00 0.00 C ATOM 138 O ARG A 13 -5.838 6.568 1.730 1.00 0.00 O ATOM 139 CB ARG A 13 -4.539 9.463 1.173 1.00 0.00 C ATOM 140 CG ARG A 13 -4.885 10.684 2.010 1.00 0.00 C ATOM 141 CD ARG A 13 -3.652 11.264 2.686 1.00 0.00 C ATOM 142 NE ARG A 13 -2.920 10.255 3.447 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.281 9.842 4.657 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.359 10.349 5.240 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.564 8.920 5.286 1.00 0.00 N ATOM 0 H ARG A 13 -6.524 10.628 0.266 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.485 8.152 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.933 8.783 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.927 9.775 0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.344 11.443 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.621 10.411 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.995 11.697 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.951 12.074 3.351 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.086 9.845 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.913 11.058 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.634 10.030 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.735 8.527 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.842 8.604 6.215 1.00 0.00 H new ATOM 159 N GLN A 14 -7.147 8.191 2.576 1.00 0.00 N ATOM 160 CA GLN A 14 -7.694 7.350 3.633 1.00 0.00 C ATOM 161 C GLN A 14 -8.571 6.246 3.052 1.00 0.00 C ATOM 162 O GLN A 14 -8.245 5.063 3.152 1.00 0.00 O ATOM 163 CB GLN A 14 -8.504 8.196 4.618 1.00 0.00 C ATOM 164 CG GLN A 14 -8.707 7.528 5.969 1.00 0.00 C ATOM 165 CD GLN A 14 -9.486 8.396 6.937 1.00 0.00 C ATOM 166 OE1 GLN A 14 -9.176 9.573 7.122 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.506 7.818 7.562 1.00 0.00 N ATOM 0 H GLN A 14 -7.504 9.146 2.569 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.861 6.886 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.998 9.150 4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.478 8.416 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.234 6.584 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.736 7.289 6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.728 6.839 7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.067 8.353 8.225 1.00 0.00 H new ATOM 176 N SER A 15 -9.685 6.641 2.443 1.00 0.00 N ATOM 177 CA SER A 15 -10.611 5.684 1.849 1.00 0.00 C ATOM 178 C SER A 15 -9.863 4.650 1.013 1.00 0.00 C ATOM 179 O SER A 15 -10.245 3.481 0.962 1.00 0.00 O ATOM 180 CB SER A 15 -11.640 6.410 0.981 1.00 0.00 C ATOM 181 OG SER A 15 -12.768 5.589 0.732 1.00 0.00 O ATOM 0 H SER A 15 -9.968 7.616 2.348 1.00 0.00 H new ATOM 0 HA SER A 15 -11.128 5.167 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.957 7.327 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.182 6.701 0.035 1.00 0.00 H new ATOM 0 HG SER A 15 -13.411 6.077 0.176 1.00 0.00 H new ATOM 187 N VAL A 16 -8.793 5.090 0.358 1.00 0.00 N ATOM 188 CA VAL A 16 -7.988 4.205 -0.475 1.00 0.00 C ATOM 189 C VAL A 16 -7.619 2.930 0.275 1.00 0.00 C ATOM 190 O VAL A 16 -7.965 1.826 -0.148 1.00 0.00 O ATOM 191 CB VAL A 16 -6.699 4.899 -0.950 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.803 3.916 -1.687 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.031 6.094 -1.832 1.00 0.00 C ATOM 0 H VAL A 16 -8.464 6.055 0.388 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.595 3.950 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.159 5.261 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.897 4.425 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.537 3.096 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.332 3.522 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.108 6.573 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.594 5.758 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.630 6.808 -1.267 1.00 0.00 H new ATOM 203 N ARG A 17 -6.915 3.089 1.391 1.00 0.00 N ATOM 204 CA ARG A 17 -6.498 1.950 2.200 1.00 0.00 C ATOM 205 C ARG A 17 -7.570 0.864 2.204 1.00 0.00 C ATOM 206 O ARG A 17 -7.354 -0.237 1.696 1.00 0.00 O ATOM 207 CB ARG A 17 -6.205 2.397 3.634 1.00 0.00 C ATOM 208 CG ARG A 17 -5.326 3.634 3.719 1.00 0.00 C ATOM 209 CD ARG A 17 -4.703 3.781 5.099 1.00 0.00 C ATOM 210 NE ARG A 17 -5.577 4.506 6.018 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.161 5.035 7.163 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.891 4.920 7.528 1.00 0.00 N ATOM 213 NH2 ARG A 17 -6.016 5.680 7.947 1.00 0.00 N ATOM 0 H ARG A 17 -6.622 3.995 1.755 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.589 1.538 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.148 2.596 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.720 1.580 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.539 3.575 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.919 4.519 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.487 2.793 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.751 4.306 5.013 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.560 4.612 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.231 4.424 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.574 5.327 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.994 5.770 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.695 6.086 8.826 1.00 0.00 H new ATOM 227 N HIS A 18 -8.725 1.181 2.780 1.00 0.00 N ATOM 228 CA HIS A 18 -9.830 0.232 2.849 1.00 0.00 C ATOM 229 C HIS A 18 -9.932 -0.578 1.561 1.00 0.00 C ATOM 230 O HIS A 18 -9.943 -1.809 1.590 1.00 0.00 O ATOM 231 CB HIS A 18 -11.146 0.968 3.108 1.00 0.00 C ATOM 232 CG HIS A 18 -11.464 1.132 4.563 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.136 0.178 5.298 1.00 0.00 N ATOM 234 CD2 HIS A 18 -11.197 2.146 5.418 1.00 0.00 C ATOM 235 CE1 HIS A 18 -12.270 0.600 6.543 1.00 0.00 C ATOM 236 NE2 HIS A 18 -11.708 1.791 6.642 1.00 0.00 N ATOM 0 H HIS A 18 -8.920 2.087 3.206 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.637 -0.454 3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.101 1.952 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.958 0.424 2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.679 3.064 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.756 0.062 7.343 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.661 2.356 7.490 1.00 0.00 H new ATOM 245 N SER A 19 -10.008 0.120 0.432 1.00 0.00 N ATOM 246 CA SER A 19 -10.113 -0.536 -0.866 1.00 0.00 C ATOM 247 C SER A 19 -9.008 -1.572 -1.043 1.00 0.00 C ATOM 248 O SER A 19 -9.270 -2.774 -1.094 1.00 0.00 O ATOM 249 CB SER A 19 -10.042 0.499 -1.990 1.00 0.00 C ATOM 250 OG SER A 19 -10.759 0.062 -3.132 1.00 0.00 O ATOM 0 H SER A 19 -9.999 1.139 0.390 1.00 0.00 H new ATOM 0 HA SER A 19 -11.075 -1.046 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.450 1.448 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.001 0.679 -2.257 1.00 0.00 H new ATOM 0 HG SER A 19 -10.836 0.800 -3.772 1.00 0.00 H new ATOM 256 N LEU A 20 -7.771 -1.098 -1.136 1.00 0.00 N ATOM 257 CA LEU A 20 -6.623 -1.982 -1.308 1.00 0.00 C ATOM 258 C LEU A 20 -6.784 -3.251 -0.476 1.00 0.00 C ATOM 259 O LEU A 20 -6.543 -4.357 -0.959 1.00 0.00 O ATOM 260 CB LEU A 20 -5.334 -1.260 -0.912 1.00 0.00 C ATOM 261 CG LEU A 20 -4.858 -0.165 -1.867 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.802 0.703 -1.200 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.315 -0.776 -3.150 1.00 0.00 C ATOM 0 H LEU A 20 -7.537 -0.106 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.566 -2.263 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.477 -0.818 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.541 -2.001 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.710 0.465 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.475 1.477 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.224 1.169 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.949 0.086 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.981 0.018 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.475 -1.430 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.099 -1.354 -3.638 1.00 0.00 H new ATOM 275 N LYS A 21 -7.196 -3.083 0.776 1.00 0.00 N ATOM 276 CA LYS A 21 -7.394 -4.214 1.674 1.00 0.00 C ATOM 277 C LYS A 21 -8.548 -5.091 1.199 1.00 0.00 C ATOM 278 O LYS A 21 -8.484 -6.318 1.283 1.00 0.00 O ATOM 279 CB LYS A 21 -7.666 -3.720 3.097 1.00 0.00 C ATOM 280 CG LYS A 21 -7.655 -4.827 4.138 1.00 0.00 C ATOM 281 CD LYS A 21 -7.739 -4.267 5.548 1.00 0.00 C ATOM 282 CE LYS A 21 -9.163 -3.872 5.907 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.244 -3.261 7.263 1.00 0.00 N ATOM 0 H LYS A 21 -7.399 -2.174 1.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.483 -4.812 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.916 -2.975 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.635 -3.220 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.494 -5.501 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.744 -5.417 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.377 -5.010 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.086 -3.398 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.542 -3.166 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.805 -4.752 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.231 -3.006 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.907 -3.943 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.651 -2.407 7.295 1.00 0.00 H new ATOM 297 N ASP A 22 -9.602 -4.455 0.700 1.00 0.00 N ATOM 298 CA ASP A 22 -10.770 -5.177 0.210 1.00 0.00 C ATOM 299 C ASP A 22 -10.368 -6.215 -0.834 1.00 0.00 C ATOM 300 O ASP A 22 -10.760 -7.379 -0.749 1.00 0.00 O ATOM 301 CB ASP A 22 -11.785 -4.202 -0.388 1.00 0.00 C ATOM 302 CG ASP A 22 -13.202 -4.740 -0.340 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.572 -5.348 0.686 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.940 -4.553 -1.330 1.00 0.00 O ATOM 0 H ASP A 22 -9.671 -3.440 0.624 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.228 -5.694 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.740 -3.257 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.515 -3.990 -1.422 1.00 0.00 H new ATOM 309 N ILE A 23 -9.585 -5.784 -1.817 1.00 0.00 N ATOM 310 CA ILE A 23 -9.130 -6.676 -2.877 1.00 0.00 C ATOM 311 C ILE A 23 -8.232 -7.776 -2.322 1.00 0.00 C ATOM 312 O ILE A 23 -8.544 -8.963 -2.431 1.00 0.00 O ATOM 313 CB ILE A 23 -8.366 -5.907 -3.971 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.341 -5.114 -4.843 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.548 -6.868 -4.820 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.673 -4.038 -5.671 1.00 0.00 C ATOM 0 H ILE A 23 -9.253 -4.823 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.021 -7.125 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.683 -5.205 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.863 -5.802 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.095 -4.654 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.014 -6.310 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.831 -7.392 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.212 -7.592 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.424 -3.516 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.175 -3.328 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.938 -4.493 -6.335 1.00 0.00 H new ATOM 328 N LEU A 24 -7.115 -7.375 -1.725 1.00 0.00 N ATOM 329 CA LEU A 24 -6.170 -8.327 -1.150 1.00 0.00 C ATOM 330 C LEU A 24 -6.871 -9.268 -0.176 1.00 0.00 C ATOM 331 O LEU A 24 -6.451 -10.410 0.009 1.00 0.00 O ATOM 332 CB LEU A 24 -5.040 -7.584 -0.435 1.00 0.00 C ATOM 333 CG LEU A 24 -4.306 -6.525 -1.259 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.597 -5.536 -0.347 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.315 -7.181 -2.210 1.00 0.00 C ATOM 0 H LEU A 24 -6.841 -6.397 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.750 -8.921 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.452 -7.104 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.311 -8.317 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.041 -5.980 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.080 -4.790 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.328 -5.042 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.873 -6.066 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.802 -6.412 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.585 -7.752 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.848 -7.849 -2.887 1.00 0.00 H new ATOM 347 N MET A 25 -7.942 -8.782 0.442 1.00 0.00 N ATOM 348 CA MET A 25 -8.703 -9.582 1.394 1.00 0.00 C ATOM 349 C MET A 25 -9.431 -10.722 0.688 1.00 0.00 C ATOM 350 O MET A 25 -9.636 -11.792 1.262 1.00 0.00 O ATOM 351 CB MET A 25 -9.709 -8.705 2.142 1.00 0.00 C ATOM 352 CG MET A 25 -9.148 -8.080 3.409 1.00 0.00 C ATOM 353 SD MET A 25 -9.395 -9.118 4.863 1.00 0.00 S ATOM 354 CE MET A 25 -7.736 -9.741 5.120 1.00 0.00 C ATOM 0 H MET A 25 -8.302 -7.838 0.301 1.00 0.00 H new ATOM 0 HA MET A 25 -8.002 -10.011 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.052 -7.912 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.582 -9.306 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.082 -7.894 3.277 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.622 -7.112 3.573 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.783 -10.787 5.423 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.168 -9.657 4.193 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.246 -9.159 5.900 1.00 0.00 H new ATOM 364 N LYS A 26 -9.820 -10.485 -0.560 1.00 0.00 N ATOM 365 CA LYS A 26 -10.525 -11.491 -1.346 1.00 0.00 C ATOM 366 C LYS A 26 -9.544 -12.331 -2.159 1.00 0.00 C ATOM 367 O LYS A 26 -9.766 -13.522 -2.379 1.00 0.00 O ATOM 368 CB LYS A 26 -11.536 -10.823 -2.280 1.00 0.00 C ATOM 369 CG LYS A 26 -11.854 -11.641 -3.519 1.00 0.00 C ATOM 370 CD LYS A 26 -10.909 -11.313 -4.662 1.00 0.00 C ATOM 371 CE LYS A 26 -11.142 -12.224 -5.858 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.460 -11.964 -6.503 1.00 0.00 N ATOM 0 H LYS A 26 -9.659 -9.605 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.056 -12.148 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.459 -10.639 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.148 -9.852 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.785 -12.703 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.881 -11.449 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.047 -10.274 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.878 -11.413 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.345 -12.077 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.093 -13.265 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.553 -12.556 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.224 -12.193 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.524 -10.961 -6.771 1.00 0.00 H new ATOM 386 N ARG A 27 -8.460 -11.703 -2.602 1.00 0.00 N ATOM 387 CA ARG A 27 -7.446 -12.393 -3.391 1.00 0.00 C ATOM 388 C ARG A 27 -6.658 -13.372 -2.525 1.00 0.00 C ATOM 389 O ARG A 27 -6.096 -14.347 -3.026 1.00 0.00 O ATOM 390 CB ARG A 27 -6.494 -11.383 -4.033 1.00 0.00 C ATOM 391 CG ARG A 27 -7.195 -10.359 -4.911 1.00 0.00 C ATOM 392 CD ARG A 27 -7.788 -11.004 -6.154 1.00 0.00 C ATOM 393 NE ARG A 27 -6.769 -11.292 -7.160 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.049 -11.678 -8.400 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.310 -11.819 -8.785 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.067 -11.921 -9.258 1.00 0.00 N ATOM 0 H ARG A 27 -8.261 -10.718 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.952 -12.954 -4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.947 -10.862 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.758 -11.920 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.985 -9.870 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.487 -9.584 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.295 -11.928 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.542 -10.343 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.789 -11.191 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.068 -11.631 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.522 -12.115 -9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.096 -11.812 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.283 -12.217 -10.210 1.00 0.00 H new ATOM 410 N LEU A 28 -6.621 -13.106 -1.224 1.00 0.00 N ATOM 411 CA LEU A 28 -5.901 -13.963 -0.288 1.00 0.00 C ATOM 412 C LEU A 28 -6.816 -15.047 0.272 1.00 0.00 C ATOM 413 O LEU A 28 -6.376 -16.161 0.556 1.00 0.00 O ATOM 414 CB LEU A 28 -5.320 -13.129 0.855 1.00 0.00 C ATOM 415 CG LEU A 28 -6.251 -12.876 2.041 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.367 -14.123 2.904 1.00 0.00 C ATOM 417 CD2 LEU A 28 -5.755 -11.698 2.867 1.00 0.00 C ATOM 0 H LEU A 28 -7.081 -12.304 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.086 -14.445 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.423 -13.628 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.007 -12.166 0.453 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.241 -12.632 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.034 -13.924 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.769 -14.942 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.382 -14.398 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.430 -11.533 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.754 -11.912 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.725 -10.804 2.244 1.00 0.00 H new ATOM 429 N THR A 29 -8.094 -14.714 0.426 1.00 0.00 N ATOM 430 CA THR A 29 -9.072 -15.658 0.951 1.00 0.00 C ATOM 431 C THR A 29 -9.450 -16.698 -0.098 1.00 0.00 C ATOM 432 O THR A 29 -9.842 -17.816 0.236 1.00 0.00 O ATOM 433 CB THR A 29 -10.348 -14.939 1.428 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.008 -15.723 2.428 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.296 -14.691 0.264 1.00 0.00 C ATOM 0 H THR A 29 -8.476 -13.797 0.194 1.00 0.00 H new ATOM 0 HA THR A 29 -8.606 -16.156 1.801 1.00 0.00 H new ATOM 0 HB THR A 29 -10.059 -13.978 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.817 -15.258 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.190 -14.182 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.801 -14.070 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.577 -15.643 -0.186 1.00 0.00 H new ATOM 443 N ASP A 30 -9.328 -16.323 -1.366 1.00 0.00 N ATOM 444 CA ASP A 30 -9.656 -17.225 -2.465 1.00 0.00 C ATOM 445 C ASP A 30 -8.476 -18.136 -2.790 1.00 0.00 C ATOM 446 O ASP A 30 -8.658 -19.305 -3.130 1.00 0.00 O ATOM 447 CB ASP A 30 -10.056 -16.426 -3.706 1.00 0.00 C ATOM 448 CG ASP A 30 -10.362 -17.317 -4.894 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.216 -18.217 -4.756 1.00 0.00 O ATOM 450 OD2 ASP A 30 -9.746 -17.115 -5.962 1.00 0.00 O ATOM 0 H ASP A 30 -9.005 -15.401 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.497 -17.846 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.931 -15.818 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.251 -15.740 -3.968 1.00 0.00 H new ATOM 455 N SER A 31 -7.268 -17.592 -2.683 1.00 0.00 N ATOM 456 CA SER A 31 -6.059 -18.355 -2.970 1.00 0.00 C ATOM 457 C SER A 31 -5.718 -19.289 -1.813 1.00 0.00 C ATOM 458 O SER A 31 -6.460 -19.381 -0.837 1.00 0.00 O ATOM 459 CB SER A 31 -4.886 -17.410 -3.240 1.00 0.00 C ATOM 460 OG SER A 31 -4.643 -16.569 -2.126 1.00 0.00 O ATOM 0 H SER A 31 -7.101 -16.626 -2.400 1.00 0.00 H new ATOM 0 HA SER A 31 -6.243 -18.958 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.991 -17.991 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.099 -16.802 -4.119 1.00 0.00 H new ATOM 0 HG SER A 31 -5.021 -15.681 -2.297 1.00 0.00 H new ATOM 466 N ASN A 32 -4.589 -19.980 -1.932 1.00 0.00 N ATOM 467 CA ASN A 32 -4.148 -20.909 -0.897 1.00 0.00 C ATOM 468 C ASN A 32 -3.297 -20.194 0.148 1.00 0.00 C ATOM 469 O ASN A 32 -2.287 -20.726 0.611 1.00 0.00 O ATOM 470 CB ASN A 32 -3.354 -22.059 -1.519 1.00 0.00 C ATOM 471 CG ASN A 32 -4.188 -22.885 -2.479 1.00 0.00 C ATOM 472 OD1 ASN A 32 -4.160 -22.668 -3.690 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.937 -23.840 -1.939 1.00 0.00 N ATOM 0 H ASN A 32 -3.963 -19.914 -2.734 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.033 -21.313 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.490 -21.656 -2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.972 -22.703 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.520 -24.429 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.929 -23.985 -0.929 1.00 0.00 H new ATOM 480 N LEU A 33 -3.711 -18.986 0.514 1.00 0.00 N ATOM 481 CA LEU A 33 -2.987 -18.198 1.506 1.00 0.00 C ATOM 482 C LEU A 33 -3.669 -18.275 2.867 1.00 0.00 C ATOM 483 O LEU A 33 -4.877 -18.064 2.982 1.00 0.00 O ATOM 484 CB LEU A 33 -2.889 -16.740 1.054 1.00 0.00 C ATOM 485 CG LEU A 33 -1.847 -16.439 -0.024 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.180 -15.140 -0.741 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.454 -16.373 0.584 1.00 0.00 C ATOM 0 H LEU A 33 -4.543 -18.531 0.139 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.983 -18.612 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.866 -16.429 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.668 -16.124 1.926 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.865 -17.248 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.427 -14.943 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.160 -15.225 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.192 -14.320 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.274 -16.158 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.422 -15.585 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.215 -17.329 1.050 1.00 0.00 H new ATOM 499 N LYS A 34 -2.888 -18.579 3.899 1.00 0.00 N ATOM 500 CA LYS A 34 -3.415 -18.681 5.254 1.00 0.00 C ATOM 501 C LYS A 34 -2.978 -17.489 6.099 1.00 0.00 C ATOM 502 O LYS A 34 -2.992 -17.548 7.329 1.00 0.00 O ATOM 503 CB LYS A 34 -2.946 -19.983 5.909 1.00 0.00 C ATOM 504 CG LYS A 34 -3.596 -21.225 5.325 1.00 0.00 C ATOM 505 CD LYS A 34 -2.804 -21.768 4.148 1.00 0.00 C ATOM 506 CE LYS A 34 -1.672 -22.673 4.608 1.00 0.00 C ATOM 507 NZ LYS A 34 -0.865 -23.179 3.463 1.00 0.00 N ATOM 0 H LYS A 34 -1.887 -18.759 3.822 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.503 -18.682 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.864 -20.065 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.159 -19.940 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.676 -21.992 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.611 -20.989 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.469 -22.323 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.396 -20.939 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.026 -22.126 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.084 -23.516 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.104 -23.792 3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.476 -23.723 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.451 -22.376 2.948 1.00 0.00 H new ATOM 521 N VAL A 35 -2.591 -16.406 5.432 1.00 0.00 N ATOM 522 CA VAL A 35 -2.152 -15.199 6.122 1.00 0.00 C ATOM 523 C VAL A 35 -3.290 -14.583 6.929 1.00 0.00 C ATOM 524 O VAL A 35 -4.463 -14.682 6.570 1.00 0.00 O ATOM 525 CB VAL A 35 -1.614 -14.150 5.131 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.737 -14.811 4.078 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.762 -13.393 4.481 1.00 0.00 C ATOM 0 H VAL A 35 -2.573 -16.340 4.414 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.349 -15.495 6.798 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.003 -13.435 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.366 -14.055 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.106 -15.304 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.322 -15.549 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.363 -12.656 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.401 -14.093 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.346 -12.887 5.250 1.00 0.00 H new ATOM 537 N PRO A 36 -2.937 -13.930 8.046 1.00 0.00 N ATOM 538 CA PRO A 36 -3.914 -13.284 8.927 1.00 0.00 C ATOM 539 C PRO A 36 -4.544 -12.051 8.289 1.00 0.00 C ATOM 540 O PRO A 36 -4.057 -11.549 7.276 1.00 0.00 O ATOM 541 CB PRO A 36 -3.081 -12.887 10.149 1.00 0.00 C ATOM 542 CG PRO A 36 -1.690 -12.754 9.633 1.00 0.00 C ATOM 543 CD PRO A 36 -1.557 -13.773 8.535 1.00 0.00 C ATOM 0 HA PRO A 36 -4.751 -13.942 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.434 -11.951 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.142 -13.643 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.508 -11.748 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.962 -12.935 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.888 -13.429 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.153 -14.714 8.907 1.00 0.00 H new ATOM 551 N GLU A 37 -5.628 -11.568 8.888 1.00 0.00 N ATOM 552 CA GLU A 37 -6.323 -10.393 8.376 1.00 0.00 C ATOM 553 C GLU A 37 -5.488 -9.133 8.584 1.00 0.00 C ATOM 554 O GLU A 37 -5.652 -8.143 7.870 1.00 0.00 O ATOM 555 CB GLU A 37 -7.682 -10.237 9.063 1.00 0.00 C ATOM 556 CG GLU A 37 -8.435 -8.985 8.646 1.00 0.00 C ATOM 557 CD GLU A 37 -9.590 -8.663 9.574 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.366 -9.586 9.899 1.00 0.00 O ATOM 559 OE2 GLU A 37 -9.717 -7.488 9.975 1.00 0.00 O ATOM 0 H GLU A 37 -6.043 -11.972 9.727 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.479 -10.532 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.295 -11.110 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.534 -10.219 10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.745 -8.141 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.814 -9.114 7.632 1.00 0.00 H new ATOM 566 N GLU A 38 -4.594 -9.178 9.566 1.00 0.00 N ATOM 567 CA GLU A 38 -3.735 -8.039 9.869 1.00 0.00 C ATOM 568 C GLU A 38 -2.715 -7.816 8.755 1.00 0.00 C ATOM 569 O GLU A 38 -2.337 -6.681 8.463 1.00 0.00 O ATOM 570 CB GLU A 38 -3.012 -8.257 11.200 1.00 0.00 C ATOM 571 CG GLU A 38 -2.035 -7.147 11.550 1.00 0.00 C ATOM 572 CD GLU A 38 -2.686 -6.020 12.327 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.195 -6.280 13.438 1.00 0.00 O ATOM 574 OE2 GLU A 38 -2.687 -4.876 11.825 1.00 0.00 O ATOM 0 H GLU A 38 -4.445 -9.990 10.165 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.364 -7.152 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.752 -8.343 11.996 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.474 -9.204 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.215 -7.561 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.601 -6.748 10.633 1.00 0.00 H new ATOM 581 N LYS A 39 -2.274 -8.906 8.137 1.00 0.00 N ATOM 582 CA LYS A 39 -1.300 -8.832 7.055 1.00 0.00 C ATOM 583 C LYS A 39 -1.757 -7.854 5.977 1.00 0.00 C ATOM 584 O LYS A 39 -1.165 -6.790 5.800 1.00 0.00 O ATOM 585 CB LYS A 39 -1.081 -10.217 6.442 1.00 0.00 C ATOM 586 CG LYS A 39 -0.312 -10.188 5.133 1.00 0.00 C ATOM 587 CD LYS A 39 1.177 -9.993 5.365 1.00 0.00 C ATOM 588 CE LYS A 39 1.550 -8.518 5.382 1.00 0.00 C ATOM 589 NZ LYS A 39 2.813 -8.274 6.133 1.00 0.00 N ATOM 0 H LYS A 39 -2.576 -9.853 8.367 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.359 -8.473 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.543 -10.840 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.050 -10.688 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.478 -11.120 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.692 -9.382 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.462 -10.452 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.738 -10.502 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.661 -8.160 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.742 -7.944 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.033 -7.258 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.699 -8.593 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.590 -8.801 5.686 1.00 0.00 H new ATOM 603 N ALA A 40 -2.814 -8.222 5.261 1.00 0.00 N ATOM 604 CA ALA A 40 -3.352 -7.375 4.204 1.00 0.00 C ATOM 605 C ALA A 40 -3.441 -5.921 4.656 1.00 0.00 C ATOM 606 O ALA A 40 -2.963 -5.018 3.970 1.00 0.00 O ATOM 607 CB ALA A 40 -4.721 -7.879 3.770 1.00 0.00 C ATOM 0 H ALA A 40 -3.315 -9.101 5.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.672 -7.422 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.111 -7.237 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.632 -8.900 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.402 -7.862 4.621 1.00 0.00 H new ATOM 613 N ALA A 41 -4.055 -5.703 5.814 1.00 0.00 N ATOM 614 CA ALA A 41 -4.204 -4.358 6.357 1.00 0.00 C ATOM 615 C ALA A 41 -2.854 -3.660 6.473 1.00 0.00 C ATOM 616 O ALA A 41 -2.593 -2.672 5.786 1.00 0.00 O ATOM 617 CB ALA A 41 -4.891 -4.411 7.714 1.00 0.00 C ATOM 0 H ALA A 41 -4.457 -6.439 6.394 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.823 -3.782 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.996 -3.400 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.877 -4.862 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.292 -5.008 8.402 1.00 0.00 H new ATOM 623 N LYS A 42 -1.998 -4.178 7.347 1.00 0.00 N ATOM 624 CA LYS A 42 -0.673 -3.605 7.553 1.00 0.00 C ATOM 625 C LYS A 42 -0.104 -3.066 6.245 1.00 0.00 C ATOM 626 O LYS A 42 0.353 -1.924 6.178 1.00 0.00 O ATOM 627 CB LYS A 42 0.274 -4.655 8.139 1.00 0.00 C ATOM 628 CG LYS A 42 0.258 -4.710 9.657 1.00 0.00 C ATOM 629 CD LYS A 42 1.297 -5.681 10.191 1.00 0.00 C ATOM 630 CE LYS A 42 1.755 -5.294 11.588 1.00 0.00 C ATOM 631 NZ LYS A 42 0.838 -5.816 12.638 1.00 0.00 N ATOM 0 H LYS A 42 -2.198 -4.994 7.925 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.768 -2.777 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.004 -5.635 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.289 -4.445 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.448 -3.715 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.732 -5.010 10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.880 -6.688 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.155 -5.704 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.760 -5.679 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.812 -4.208 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.213 -5.574 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.103 -5.390 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.763 -6.850 12.551 1.00 0.00 H new ATOM 645 N VAL A 43 -0.135 -3.893 5.205 1.00 0.00 N ATOM 646 CA VAL A 43 0.375 -3.498 3.898 1.00 0.00 C ATOM 647 C VAL A 43 -0.399 -2.307 3.343 1.00 0.00 C ATOM 648 O VAL A 43 0.175 -1.253 3.072 1.00 0.00 O ATOM 649 CB VAL A 43 0.298 -4.661 2.890 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.927 -4.261 1.564 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.972 -5.901 3.456 1.00 0.00 C ATOM 0 H VAL A 43 -0.508 -4.841 5.243 1.00 0.00 H new ATOM 0 HA VAL A 43 1.419 -3.216 4.038 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.751 -4.895 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.863 -5.095 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.396 -3.402 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.973 -3.999 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.908 -6.713 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.019 -5.683 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.472 -6.198 4.378 1.00 0.00 H new ATOM 661 N ALA A 44 -1.705 -2.483 3.177 1.00 0.00 N ATOM 662 CA ALA A 44 -2.559 -1.422 2.657 1.00 0.00 C ATOM 663 C ALA A 44 -2.279 -0.098 3.359 1.00 0.00 C ATOM 664 O ALA A 44 -2.191 0.951 2.719 1.00 0.00 O ATOM 665 CB ALA A 44 -4.024 -1.802 2.807 1.00 0.00 C ATOM 0 H ALA A 44 -2.195 -3.350 3.395 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.335 -1.296 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.650 -1.000 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.220 -2.720 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.253 -1.958 3.861 1.00 0.00 H new ATOM 671 N THR A 45 -2.140 -0.152 4.680 1.00 0.00 N ATOM 672 CA THR A 45 -1.871 1.043 5.470 1.00 0.00 C ATOM 673 C THR A 45 -0.533 1.665 5.088 1.00 0.00 C ATOM 674 O THR A 45 -0.331 2.870 5.241 1.00 0.00 O ATOM 675 CB THR A 45 -1.868 0.730 6.978 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.152 0.241 7.381 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.516 1.970 7.787 1.00 0.00 C ATOM 0 H THR A 45 -2.209 -1.011 5.225 1.00 0.00 H new ATOM 0 HA THR A 45 -2.671 1.751 5.255 1.00 0.00 H new ATOM 0 HB THR A 45 -1.114 -0.034 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.140 0.043 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.520 1.725 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.525 2.323 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.250 2.752 7.592 1.00 0.00 H new ATOM 685 N LYS A 46 0.378 0.837 4.590 1.00 0.00 N ATOM 686 CA LYS A 46 1.698 1.306 4.184 1.00 0.00 C ATOM 687 C LYS A 46 1.651 1.920 2.789 1.00 0.00 C ATOM 688 O LYS A 46 2.180 3.009 2.561 1.00 0.00 O ATOM 689 CB LYS A 46 2.703 0.152 4.211 1.00 0.00 C ATOM 690 CG LYS A 46 2.873 -0.473 5.585 1.00 0.00 C ATOM 691 CD LYS A 46 3.976 0.210 6.376 1.00 0.00 C ATOM 692 CE LYS A 46 3.726 0.121 7.873 1.00 0.00 C ATOM 693 NZ LYS A 46 4.241 -1.154 8.446 1.00 0.00 N ATOM 0 H LYS A 46 0.227 -0.163 4.458 1.00 0.00 H new ATOM 0 HA LYS A 46 2.016 2.073 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.380 -0.617 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.670 0.515 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.934 -0.405 6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.104 -1.533 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.935 -0.251 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.043 1.257 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.205 0.963 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.657 0.201 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.052 -1.177 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.766 -1.958 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.266 -1.219 8.282 1.00 0.00 H new ATOM 707 N ILE A 47 1.014 1.217 1.858 1.00 0.00 N ATOM 708 CA ILE A 47 0.897 1.695 0.486 1.00 0.00 C ATOM 709 C ILE A 47 0.707 3.208 0.446 1.00 0.00 C ATOM 710 O ILE A 47 1.593 3.942 0.011 1.00 0.00 O ATOM 711 CB ILE A 47 -0.278 1.021 -0.246 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.118 -0.500 -0.222 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.371 1.527 -1.678 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.310 -0.960 -0.418 1.00 0.00 C ATOM 0 H ILE A 47 0.571 0.314 2.029 1.00 0.00 H new ATOM 0 HA ILE A 47 1.827 1.435 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.203 1.278 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.487 -0.881 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.742 -0.935 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.206 1.041 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.528 2.606 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.555 1.297 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.349 -2.049 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.676 -0.609 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.935 -0.554 0.377 1.00 0.00 H new ATOM 726 N GLU A 48 -0.454 3.665 0.904 1.00 0.00 N ATOM 727 CA GLU A 48 -0.759 5.091 0.920 1.00 0.00 C ATOM 728 C GLU A 48 0.400 5.889 1.511 1.00 0.00 C ATOM 729 O GLU A 48 0.738 6.967 1.023 1.00 0.00 O ATOM 730 CB GLU A 48 -2.035 5.353 1.724 1.00 0.00 C ATOM 731 CG GLU A 48 -3.309 4.989 0.980 1.00 0.00 C ATOM 732 CD GLU A 48 -3.278 3.578 0.426 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.704 2.650 1.145 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.829 3.401 -0.725 1.00 0.00 O ATOM 0 H GLU A 48 -1.198 3.070 1.268 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.913 5.415 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.992 4.785 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.072 6.408 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.160 5.093 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.462 5.693 0.162 1.00 0.00 H new ATOM 741 N LYS A 49 1.004 5.351 2.564 1.00 0.00 N ATOM 742 CA LYS A 49 2.126 6.010 3.222 1.00 0.00 C ATOM 743 C LYS A 49 3.255 6.280 2.233 1.00 0.00 C ATOM 744 O LYS A 49 3.910 7.320 2.295 1.00 0.00 O ATOM 745 CB LYS A 49 2.642 5.150 4.379 1.00 0.00 C ATOM 746 CG LYS A 49 3.303 5.954 5.486 1.00 0.00 C ATOM 747 CD LYS A 49 3.190 5.250 6.828 1.00 0.00 C ATOM 748 CE LYS A 49 3.587 6.169 7.974 1.00 0.00 C ATOM 749 NZ LYS A 49 4.027 5.402 9.172 1.00 0.00 N ATOM 0 H LYS A 49 0.735 4.460 2.981 1.00 0.00 H new ATOM 0 HA LYS A 49 1.775 6.964 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.811 4.584 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.357 4.425 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.354 6.113 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.839 6.938 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.166 4.905 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.828 4.366 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.392 6.828 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.742 6.804 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.289 6.063 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.251 4.791 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.849 4.815 8.926 1.00 0.00 H new ATOM 763 N GLU A 50 3.475 5.338 1.321 1.00 0.00 N ATOM 764 CA GLU A 50 4.525 5.477 0.319 1.00 0.00 C ATOM 765 C GLU A 50 4.041 6.311 -0.864 1.00 0.00 C ATOM 766 O GLU A 50 4.771 7.156 -1.383 1.00 0.00 O ATOM 767 CB GLU A 50 4.983 4.100 -0.167 1.00 0.00 C ATOM 768 CG GLU A 50 4.967 3.036 0.918 1.00 0.00 C ATOM 769 CD GLU A 50 5.793 3.426 2.129 1.00 0.00 C ATOM 770 OE1 GLU A 50 5.572 4.530 2.668 1.00 0.00 O ATOM 771 OE2 GLU A 50 6.661 2.625 2.536 1.00 0.00 O ATOM 0 H GLU A 50 2.941 4.472 1.256 1.00 0.00 H new ATOM 0 HA GLU A 50 5.368 5.990 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.340 3.781 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.993 4.183 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.938 2.854 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.347 2.100 0.509 1.00 0.00 H new ATOM 778 N LEU A 51 2.805 6.066 -1.286 1.00 0.00 N ATOM 779 CA LEU A 51 2.222 6.794 -2.408 1.00 0.00 C ATOM 780 C LEU A 51 2.073 8.275 -2.078 1.00 0.00 C ATOM 781 O LEU A 51 2.660 9.131 -2.740 1.00 0.00 O ATOM 782 CB LEU A 51 0.859 6.201 -2.772 1.00 0.00 C ATOM 783 CG LEU A 51 0.453 6.306 -4.242 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.097 5.194 -5.055 1.00 0.00 C ATOM 785 CD2 LEU A 51 -1.062 6.263 -4.382 1.00 0.00 C ATOM 0 H LEU A 51 2.188 5.369 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 51 2.894 6.697 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.856 5.148 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.097 6.695 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 51 0.806 7.262 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.796 5.285 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.182 5.271 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.775 4.227 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.332 6.339 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.438 5.323 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.502 7.096 -3.834 1.00 0.00 H new ATOM 797 N PHE A 52 1.285 8.571 -1.050 1.00 0.00 N ATOM 798 CA PHE A 52 1.060 9.950 -0.631 1.00 0.00 C ATOM 799 C PHE A 52 2.381 10.642 -0.307 1.00 0.00 C ATOM 800 O PHE A 52 2.528 11.847 -0.512 1.00 0.00 O ATOM 801 CB PHE A 52 0.137 9.990 0.589 1.00 0.00 C ATOM 802 CG PHE A 52 -0.176 11.383 1.057 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.834 12.276 0.227 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.187 11.798 2.328 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.124 13.557 0.654 1.00 0.00 C ATOM 806 CE2 PHE A 52 -0.101 13.079 2.762 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.757 13.960 1.923 1.00 0.00 C ATOM 0 H PHE A 52 0.791 7.875 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 52 0.584 10.482 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.795 9.478 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.602 9.437 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.124 11.967 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.700 11.114 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.637 14.243 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.186 13.391 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.982 14.961 2.259 1.00 0.00 H new ATOM 817 N SER A 53 3.337 9.872 0.200 1.00 0.00 N ATOM 818 CA SER A 53 4.645 10.411 0.556 1.00 0.00 C ATOM 819 C SER A 53 5.512 10.598 -0.685 1.00 0.00 C ATOM 820 O SER A 53 6.451 11.394 -0.686 1.00 0.00 O ATOM 821 CB SER A 53 5.348 9.484 1.549 1.00 0.00 C ATOM 822 OG SER A 53 6.598 10.020 1.950 1.00 0.00 O ATOM 0 H SER A 53 3.231 8.873 0.374 1.00 0.00 H new ATOM 0 HA SER A 53 4.495 11.385 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.715 9.336 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.498 8.505 1.094 1.00 0.00 H new ATOM 0 HG SER A 53 7.027 9.410 2.586 1.00 0.00 H new ATOM 828 N PHE A 54 5.190 9.859 -1.741 1.00 0.00 N ATOM 829 CA PHE A 54 5.940 9.941 -2.989 1.00 0.00 C ATOM 830 C PHE A 54 5.492 11.144 -3.814 1.00 0.00 C ATOM 831 O PHE A 54 6.316 11.894 -4.338 1.00 0.00 O ATOM 832 CB PHE A 54 5.761 8.657 -3.801 1.00 0.00 C ATOM 833 CG PHE A 54 6.645 8.587 -5.014 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.990 8.278 -4.890 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.131 8.829 -6.277 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.806 8.214 -6.004 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.942 8.766 -7.395 1.00 0.00 C ATOM 838 CZ PHE A 54 8.281 8.457 -7.258 1.00 0.00 C ATOM 0 H PHE A 54 4.415 9.196 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 54 6.995 10.063 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.968 7.800 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.720 8.577 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.406 8.085 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.084 9.070 -6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.853 7.974 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.529 8.958 -8.374 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.916 8.405 -8.130 1.00 0.00 H new ATOM 848 N PHE A 55 4.179 11.322 -3.925 1.00 0.00 N ATOM 849 CA PHE A 55 3.620 12.432 -4.687 1.00 0.00 C ATOM 850 C PHE A 55 3.441 13.663 -3.803 1.00 0.00 C ATOM 851 O PHE A 55 3.329 14.785 -4.298 1.00 0.00 O ATOM 852 CB PHE A 55 2.278 12.032 -5.302 1.00 0.00 C ATOM 853 CG PHE A 55 2.412 11.171 -6.526 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.738 11.730 -7.751 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.211 9.802 -6.451 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.862 10.941 -8.878 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.335 9.007 -7.575 1.00 0.00 C ATOM 858 CZ PHE A 55 2.659 9.577 -8.790 1.00 0.00 C ATOM 0 H PHE A 55 3.483 10.712 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 55 4.318 12.679 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.690 11.499 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.723 12.934 -5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.897 12.796 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.955 9.351 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.117 11.390 -9.827 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.179 7.941 -7.503 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.754 8.958 -9.670 1.00 0.00 H new ATOM 868 N ARG A 56 3.413 13.444 -2.493 1.00 0.00 N ATOM 869 CA ARG A 56 3.245 14.534 -1.539 1.00 0.00 C ATOM 870 C ARG A 56 1.991 15.344 -1.854 1.00 0.00 C ATOM 871 O ARG A 56 1.909 16.529 -1.534 1.00 0.00 O ATOM 872 CB ARG A 56 4.472 15.447 -1.554 1.00 0.00 C ATOM 873 CG ARG A 56 4.697 16.188 -0.246 1.00 0.00 C ATOM 874 CD ARG A 56 6.143 16.632 -0.099 1.00 0.00 C ATOM 875 NE ARG A 56 7.056 15.498 0.015 1.00 0.00 N ATOM 876 CZ ARG A 56 8.369 15.591 -0.159 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.921 16.760 -0.453 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.134 14.513 -0.039 1.00 0.00 N ATOM 0 H ARG A 56 3.504 12.522 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 56 3.136 14.100 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.356 14.850 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.364 16.174 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.042 17.058 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.427 15.543 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.425 17.239 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.240 17.265 0.783 1.00 0.00 H new ATOM 0 HE ARG A 56 6.663 14.584 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.337 17.591 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.930 16.828 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.713 13.612 0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.143 14.586 -0.173 1.00 0.00 H new ATOM 892 N ASP A 57 1.018 14.696 -2.485 1.00 0.00 N ATOM 893 CA ASP A 57 -0.232 15.355 -2.843 1.00 0.00 C ATOM 894 C ASP A 57 -1.234 14.352 -3.408 1.00 0.00 C ATOM 895 O ASP A 57 -0.861 13.422 -4.125 1.00 0.00 O ATOM 896 CB ASP A 57 0.026 16.465 -3.863 1.00 0.00 C ATOM 897 CG ASP A 57 -1.211 17.298 -4.138 1.00 0.00 C ATOM 898 OD1 ASP A 57 -2.297 16.928 -3.647 1.00 0.00 O ATOM 899 OD2 ASP A 57 -1.091 18.321 -4.844 1.00 0.00 O ATOM 0 H ASP A 57 1.071 13.715 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.654 15.793 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.823 17.113 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.378 16.023 -4.795 1.00 0.00 H new ATOM 904 N THR A 58 -2.507 14.546 -3.079 1.00 0.00 N ATOM 905 CA THR A 58 -3.562 13.657 -3.550 1.00 0.00 C ATOM 906 C THR A 58 -4.191 14.184 -4.835 1.00 0.00 C ATOM 907 O THR A 58 -5.406 14.372 -4.910 1.00 0.00 O ATOM 908 CB THR A 58 -4.663 13.479 -2.488 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.044 14.754 -1.958 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.185 12.578 -1.359 1.00 0.00 C ATOM 0 H THR A 58 -2.833 15.311 -2.488 1.00 0.00 H new ATOM 0 HA THR A 58 -3.097 12.691 -3.745 1.00 0.00 H new ATOM 0 HB THR A 58 -5.525 13.012 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.016 14.861 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.979 12.467 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.923 11.599 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.309 13.022 -0.885 1.00 0.00 H new ATOM 918 N ASP A 59 -3.359 14.420 -5.842 1.00 0.00 N ATOM 919 CA ASP A 59 -3.834 14.924 -7.125 1.00 0.00 C ATOM 920 C ASP A 59 -3.997 13.787 -8.129 1.00 0.00 C ATOM 921 O ASP A 59 -3.825 12.617 -7.790 1.00 0.00 O ATOM 922 CB ASP A 59 -2.867 15.973 -7.676 1.00 0.00 C ATOM 923 CG ASP A 59 -3.549 16.960 -8.603 1.00 0.00 C ATOM 924 OD1 ASP A 59 -4.732 17.279 -8.363 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.900 17.412 -9.570 1.00 0.00 O ATOM 0 H ASP A 59 -2.351 14.270 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.808 15.387 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.411 16.514 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.060 15.473 -8.212 1.00 0.00 H new ATOM 930 N ALA A 60 -4.330 14.140 -9.366 1.00 0.00 N ATOM 931 CA ALA A 60 -4.515 13.150 -10.420 1.00 0.00 C ATOM 932 C ALA A 60 -3.279 12.270 -10.569 1.00 0.00 C ATOM 933 O ALA A 60 -3.385 11.057 -10.748 1.00 0.00 O ATOM 934 CB ALA A 60 -4.839 13.836 -11.738 1.00 0.00 C ATOM 0 H ALA A 60 -4.477 15.105 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.353 12.511 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.974 13.084 -12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.755 14.416 -11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.020 14.500 -12.014 1.00 0.00 H new ATOM 940 N LYS A 61 -2.105 12.889 -10.496 1.00 0.00 N ATOM 941 CA LYS A 61 -0.847 12.163 -10.622 1.00 0.00 C ATOM 942 C LYS A 61 -0.719 11.103 -9.532 1.00 0.00 C ATOM 943 O LYS A 61 0.057 10.156 -9.662 1.00 0.00 O ATOM 944 CB LYS A 61 0.335 13.132 -10.547 1.00 0.00 C ATOM 945 CG LYS A 61 0.310 14.028 -9.321 1.00 0.00 C ATOM 946 CD LYS A 61 1.534 14.927 -9.262 1.00 0.00 C ATOM 947 CE LYS A 61 1.429 16.076 -10.253 1.00 0.00 C ATOM 948 NZ LYS A 61 0.691 17.236 -9.680 1.00 0.00 N ATOM 0 H LYS A 61 -1.999 13.893 -10.350 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.840 11.665 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.263 12.561 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.341 13.755 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.592 14.640 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.265 13.414 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.647 15.324 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.428 14.341 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.429 16.392 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.922 15.733 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.641 17.998 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.272 16.941 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.188 17.580 -8.834 1.00 0.00 H new ATOM 962 N TYR A 62 -1.486 11.268 -8.460 1.00 0.00 N ATOM 963 CA TYR A 62 -1.457 10.326 -7.348 1.00 0.00 C ATOM 964 C TYR A 62 -2.501 9.229 -7.535 1.00 0.00 C ATOM 965 O TYR A 62 -2.216 8.045 -7.354 1.00 0.00 O ATOM 966 CB TYR A 62 -1.700 11.057 -6.026 1.00 0.00 C ATOM 967 CG TYR A 62 -2.228 10.162 -4.928 1.00 0.00 C ATOM 968 CD1 TYR A 62 -3.558 9.762 -4.909 1.00 0.00 C ATOM 969 CD2 TYR A 62 -1.395 9.716 -3.908 1.00 0.00 C ATOM 970 CE1 TYR A 62 -4.044 8.945 -3.906 1.00 0.00 C ATOM 971 CE2 TYR A 62 -1.872 8.898 -2.903 1.00 0.00 C ATOM 972 CZ TYR A 62 -3.197 8.515 -2.906 1.00 0.00 C ATOM 973 OH TYR A 62 -3.677 7.701 -1.906 1.00 0.00 O ATOM 0 H TYR A 62 -2.135 12.045 -8.338 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.471 9.863 -7.324 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.766 11.512 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.408 11.868 -6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.224 10.095 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.357 10.014 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.081 8.645 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.211 8.560 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.952 7.488 -1.282 1.00 0.00 H new ATOM 983 N LYS A 63 -3.713 9.632 -7.900 1.00 0.00 N ATOM 984 CA LYS A 63 -4.802 8.686 -8.115 1.00 0.00 C ATOM 985 C LYS A 63 -4.459 7.706 -9.232 1.00 0.00 C ATOM 986 O LYS A 63 -4.607 6.495 -9.075 1.00 0.00 O ATOM 987 CB LYS A 63 -6.094 9.433 -8.456 1.00 0.00 C ATOM 988 CG LYS A 63 -6.598 10.320 -7.331 1.00 0.00 C ATOM 989 CD LYS A 63 -7.522 11.409 -7.852 1.00 0.00 C ATOM 990 CE LYS A 63 -8.339 12.030 -6.729 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.476 12.837 -7.252 1.00 0.00 N ATOM 0 H LYS A 63 -3.966 10.608 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.948 8.122 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.927 10.045 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.867 8.708 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.127 9.713 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.751 10.775 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.933 12.182 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.192 10.991 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.721 11.243 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.695 12.663 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.008 13.243 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.110 13.604 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.105 12.228 -7.814 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.999 8.239 -10.360 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.633 7.410 -11.503 1.00 0.00 C ATOM 1007 C ASN A 64 -2.767 6.233 -11.066 1.00 0.00 C ATOM 1008 O ASN A 64 -3.011 5.090 -11.454 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.890 8.245 -12.548 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.844 7.567 -13.903 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -1.793 7.097 -14.339 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.987 7.514 -14.577 1.00 0.00 N ATOM 0 H ASN A 64 -3.871 9.240 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.549 7.019 -11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.377 9.215 -12.647 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.873 8.432 -12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.018 7.070 -15.495 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.834 7.917 -14.177 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.753 6.519 -10.257 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.850 5.486 -9.765 1.00 0.00 C ATOM 1021 C LYS A 65 -1.585 4.510 -8.852 1.00 0.00 C ATOM 1022 O LYS A 65 -1.356 3.302 -8.906 1.00 0.00 O ATOM 1023 CB LYS A 65 0.323 6.120 -9.013 1.00 0.00 C ATOM 1024 CG LYS A 65 1.225 5.107 -8.328 1.00 0.00 C ATOM 1025 CD LYS A 65 1.859 4.158 -9.331 1.00 0.00 C ATOM 1026 CE LYS A 65 3.008 4.820 -10.076 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.330 4.108 -11.344 1.00 0.00 N ATOM 0 H LYS A 65 -1.536 7.460 -9.928 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.467 4.935 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.917 6.708 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.066 6.811 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.006 5.629 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.647 4.537 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.223 3.270 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.105 3.825 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.749 5.856 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.891 4.841 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.118 4.590 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.602 3.127 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.495 4.110 -11.965 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.470 5.042 -8.016 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.239 4.218 -7.091 1.00 0.00 C ATOM 1043 C TYR A 66 -4.023 3.144 -7.840 1.00 0.00 C ATOM 1044 O TYR A 66 -3.776 1.950 -7.674 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.196 5.088 -6.275 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.447 4.362 -5.834 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.369 3.189 -5.093 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.707 4.849 -6.160 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.510 2.523 -4.689 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.853 4.190 -5.759 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.749 3.027 -5.024 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.888 2.367 -4.624 1.00 0.00 O ATOM 0 H TYR A 66 -2.673 6.040 -7.960 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.540 3.726 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.673 5.461 -5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.480 5.957 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.400 2.791 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.792 5.758 -6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.432 1.612 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.825 4.583 -6.019 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.130 1.696 -5.296 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.969 3.580 -8.665 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.791 2.658 -9.440 1.00 0.00 C ATOM 1064 C ARG A 67 -4.920 1.668 -10.209 1.00 0.00 C ATOM 1065 O ARG A 67 -5.281 0.502 -10.369 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.683 3.430 -10.413 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.919 4.087 -11.551 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.846 4.874 -12.464 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.892 5.566 -11.716 1.00 0.00 N ATOM 1070 CZ ARG A 67 -9.045 5.002 -11.373 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.297 3.744 -11.707 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -9.948 5.697 -10.692 1.00 0.00 N ATOM 0 H ARG A 67 -5.185 4.566 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.420 2.101 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.425 2.749 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.228 4.197 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.158 4.752 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.399 3.324 -12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.265 5.601 -13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.304 4.198 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.729 6.535 -11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.605 3.206 -12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.183 3.314 -11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.757 6.665 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.833 5.263 -10.429 1.00 0.00 H new ATOM 1086 N SER A 68 -3.771 2.141 -10.682 1.00 0.00 N ATOM 1087 CA SER A 68 -2.851 1.299 -11.437 1.00 0.00 C ATOM 1088 C SER A 68 -2.317 0.164 -10.569 1.00 0.00 C ATOM 1089 O SER A 68 -2.105 -0.951 -11.047 1.00 0.00 O ATOM 1090 CB SER A 68 -1.688 2.135 -11.976 1.00 0.00 C ATOM 1091 OG SER A 68 -0.964 1.423 -12.965 1.00 0.00 O ATOM 0 H SER A 68 -3.455 3.103 -10.556 1.00 0.00 H new ATOM 0 HA SER A 68 -3.397 0.866 -12.275 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.069 3.065 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.021 2.407 -11.158 1.00 0.00 H new ATOM 0 HG SER A 68 -0.227 1.979 -13.295 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.101 0.456 -9.291 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.591 -0.540 -8.355 1.00 0.00 C ATOM 1099 C LEU A 69 -2.600 -1.667 -8.156 1.00 0.00 C ATOM 1100 O LEU A 69 -2.263 -2.844 -8.285 1.00 0.00 O ATOM 1101 CB LEU A 69 -1.269 0.114 -7.010 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.020 0.995 -6.974 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.353 1.335 -5.540 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.139 0.305 -7.678 1.00 0.00 C ATOM 0 H LEU A 69 -2.271 1.374 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.678 -0.964 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.124 0.719 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.156 -0.673 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.239 1.924 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.244 1.963 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.470 1.870 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.553 0.416 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.020 0.946 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.357 -0.639 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.871 0.113 -8.717 1.00 0.00 H new ATOM 1116 N MET A 70 -3.838 -1.299 -7.843 1.00 0.00 N ATOM 1117 CA MET A 70 -4.896 -2.279 -7.630 1.00 0.00 C ATOM 1118 C MET A 70 -5.378 -2.855 -8.958 1.00 0.00 C ATOM 1119 O MET A 70 -5.993 -3.921 -8.997 1.00 0.00 O ATOM 1120 CB MET A 70 -6.068 -1.642 -6.882 1.00 0.00 C ATOM 1121 CG MET A 70 -6.841 -0.630 -7.712 1.00 0.00 C ATOM 1122 SD MET A 70 -7.935 0.397 -6.712 1.00 0.00 S ATOM 1123 CE MET A 70 -8.594 -0.819 -5.574 1.00 0.00 C ATOM 0 H MET A 70 -4.133 -0.329 -7.731 1.00 0.00 H new ATOM 0 HA MET A 70 -4.489 -3.091 -7.028 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.749 -2.427 -6.555 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.692 -1.152 -5.984 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.138 0.008 -8.247 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.429 -1.156 -8.464 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.460 -0.404 -5.059 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.893 -1.710 -6.126 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.830 -1.085 -4.843 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.095 -2.144 -10.044 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.502 -2.584 -11.374 1.00 0.00 C ATOM 1135 C PHE A 71 -4.891 -3.942 -11.707 1.00 0.00 C ATOM 1136 O PHE A 71 -5.490 -4.746 -12.420 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.085 -1.553 -12.425 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.246 -2.039 -13.837 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -4.236 -2.757 -14.456 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -6.408 -1.777 -14.546 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -4.381 -3.204 -15.756 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -6.559 -2.222 -15.846 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.544 -2.938 -16.451 1.00 0.00 C ATOM 0 H PHE A 71 -4.585 -1.261 -10.030 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.588 -2.681 -11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.678 -0.648 -12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.043 -1.279 -12.260 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.325 -2.970 -13.917 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.205 -1.219 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.585 -3.761 -16.228 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.469 -2.010 -16.388 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.660 -3.289 -17.466 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.694 -4.190 -11.186 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.000 -5.450 -11.429 1.00 0.00 C ATOM 1155 C ASN A 72 -3.336 -6.473 -10.347 1.00 0.00 C ATOM 1156 O ASN A 72 -2.957 -7.641 -10.443 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.488 -5.222 -11.479 1.00 0.00 C ATOM 1158 CG ASN A 72 -0.996 -4.912 -12.880 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.556 -5.804 -13.606 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.069 -3.644 -13.265 1.00 0.00 N ATOM 0 H ASN A 72 -3.184 -3.535 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.334 -5.841 -12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.225 -4.399 -10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.977 -6.109 -11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.753 -3.375 -14.197 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.441 -2.939 -12.629 1.00 0.00 H new ATOM 1167 N LEU A 73 -4.048 -6.026 -9.319 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.436 -6.902 -8.219 1.00 0.00 C ATOM 1169 C LEU A 73 -5.839 -7.461 -8.437 1.00 0.00 C ATOM 1170 O LEU A 73 -6.133 -8.595 -8.058 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.378 -6.144 -6.892 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.006 -5.604 -6.487 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.148 -4.524 -5.427 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.116 -6.732 -5.986 1.00 0.00 C ATOM 0 H LEU A 73 -4.368 -5.062 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.734 -7.735 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.075 -5.307 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.733 -6.806 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.538 -5.161 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.161 -4.152 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.748 -3.704 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.637 -4.940 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.144 -6.330 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.580 -7.204 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.986 -7.471 -6.776 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.701 -6.659 -9.052 1.00 0.00 N ATOM 1187 CA LYS A 74 -8.072 -7.073 -9.325 1.00 0.00 C ATOM 1188 C LYS A 74 -8.173 -7.761 -10.683 1.00 0.00 C ATOM 1189 O LYS A 74 -9.083 -8.555 -10.921 1.00 0.00 O ATOM 1190 CB LYS A 74 -9.010 -5.865 -9.282 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.706 -4.821 -10.343 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.450 -3.523 -10.077 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.957 -3.724 -10.134 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.487 -4.307 -8.870 1.00 0.00 N ATOM 0 H LYS A 74 -6.474 -5.717 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.370 -7.784 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.037 -6.208 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.946 -5.400 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.633 -4.628 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.984 -5.206 -11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.170 -3.136 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.153 -2.775 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.444 -2.768 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.205 -4.380 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.795 -5.286 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.741 -4.300 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.296 -3.743 -8.540 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.232 -7.452 -11.569 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.214 -8.042 -12.902 1.00 0.00 C ATOM 1210 C ASP A 75 -7.084 -9.560 -12.823 1.00 0.00 C ATOM 1211 O ASP A 75 -6.290 -10.100 -12.053 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.062 -7.461 -13.724 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.468 -6.218 -14.491 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.241 -5.406 -13.940 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.011 -6.056 -15.642 1.00 0.00 O ATOM 0 H ASP A 75 -6.472 -6.796 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.158 -7.801 -13.392 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.231 -7.220 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.702 -8.215 -14.424 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.883 -10.266 -13.637 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.876 -11.731 -13.677 1.00 0.00 C ATOM 1222 C PRO A 76 -6.596 -12.288 -14.290 1.00 0.00 C ATOM 1223 O PRO A 76 -6.154 -13.384 -13.942 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.082 -12.067 -14.558 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.269 -10.866 -15.419 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.854 -9.688 -14.581 1.00 0.00 C ATOM 0 HA PRO A 76 -7.925 -12.167 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.898 -12.959 -15.157 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.969 -12.265 -13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.663 -10.935 -16.322 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.307 -10.772 -15.738 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.405 -8.901 -15.188 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.704 -9.245 -14.062 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.003 -11.528 -15.204 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.772 -11.944 -15.865 1.00 0.00 C ATOM 1236 C LYS A 77 -3.581 -11.828 -14.919 1.00 0.00 C ATOM 1237 O LYS A 77 -2.455 -12.169 -15.279 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.529 -11.096 -17.115 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.986 -9.655 -16.972 1.00 0.00 C ATOM 1240 CD LYS A 77 -6.429 -9.481 -17.416 1.00 0.00 C ATOM 1241 CE LYS A 77 -6.519 -9.144 -18.897 1.00 0.00 C ATOM 1242 NZ LYS A 77 -5.626 -8.010 -19.263 1.00 0.00 N ATOM 0 H LYS A 77 -6.356 -10.619 -15.504 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.881 -12.988 -16.158 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.465 -11.109 -17.351 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.048 -11.551 -17.959 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.884 -9.341 -15.933 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.341 -9.007 -17.566 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.986 -10.396 -17.215 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.898 -8.689 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.252 -10.021 -19.486 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.549 -8.892 -19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.086 -7.427 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.440 -7.429 -18.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.728 -8.381 -19.633 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.838 -11.345 -13.708 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.786 -11.184 -12.710 1.00 0.00 C ATOM 1258 C ASN A 78 -3.217 -11.767 -11.368 1.00 0.00 C ATOM 1259 O ASN A 78 -4.126 -11.253 -10.719 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.431 -9.705 -12.546 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.084 -9.505 -11.879 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.557 -10.412 -11.234 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.520 -8.312 -12.030 1.00 0.00 N ATOM 0 H ASN A 78 -4.765 -11.058 -13.394 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.905 -11.725 -13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.424 -9.225 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.203 -9.212 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.386 -8.118 -11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.993 -7.590 -12.573 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.555 -12.844 -10.957 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.869 -13.498 -9.691 1.00 0.00 C ATOM 1272 C ASN A 79 -1.604 -13.731 -8.871 1.00 0.00 C ATOM 1273 O ASN A 79 -1.557 -14.624 -8.024 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.580 -14.829 -9.943 1.00 0.00 C ATOM 1275 CG ASN A 79 -4.844 -14.662 -10.764 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.956 -13.741 -11.572 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -5.804 -15.557 -10.559 1.00 0.00 N ATOM 0 H ASN A 79 -1.798 -13.282 -11.482 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.531 -12.842 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.902 -15.508 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.829 -15.292 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.678 -15.497 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.668 -16.304 -9.879 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.581 -12.923 -9.128 1.00 0.00 N ATOM 1285 CA ILE A 80 0.684 -13.041 -8.413 1.00 0.00 C ATOM 1286 C ILE A 80 0.954 -11.801 -7.567 1.00 0.00 C ATOM 1287 O ILE A 80 1.198 -11.898 -6.363 1.00 0.00 O ATOM 1288 CB ILE A 80 1.861 -13.254 -9.382 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.486 -14.275 -10.458 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.098 -13.708 -8.621 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.580 -14.510 -11.476 1.00 0.00 C ATOM 0 H ILE A 80 -0.603 -12.180 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 80 0.599 -13.911 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 80 2.086 -12.306 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.238 -15.222 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.588 -13.934 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.922 -13.854 -9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.374 -12.949 -7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.886 -14.646 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.244 -15.245 -12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.813 -13.573 -11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.472 -14.881 -10.972 1.00 0.00 H new ATOM 1303 N LEU A 81 0.907 -10.636 -8.203 1.00 0.00 N ATOM 1304 CA LEU A 81 1.145 -9.375 -7.509 1.00 0.00 C ATOM 1305 C LEU A 81 0.566 -9.412 -6.098 1.00 0.00 C ATOM 1306 O LEU A 81 1.293 -9.273 -5.114 1.00 0.00 O ATOM 1307 CB LEU A 81 0.532 -8.214 -8.294 1.00 0.00 C ATOM 1308 CG LEU A 81 1.217 -6.857 -8.130 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.698 -6.965 -8.457 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.549 -5.813 -9.013 1.00 0.00 C ATOM 0 H LEU A 81 0.706 -10.538 -9.198 1.00 0.00 H new ATOM 0 HA LEU A 81 2.222 -9.227 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.536 -8.475 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.511 -8.110 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 81 1.117 -6.543 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.170 -5.990 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.168 -7.682 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.820 -7.301 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.049 -4.853 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.618 -6.121 -10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.500 -5.716 -8.732 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.746 -9.604 -6.007 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.423 -9.661 -4.717 1.00 0.00 C ATOM 1324 C PHE A 82 -0.749 -10.672 -3.794 1.00 0.00 C ATOM 1325 O PHE A 82 -0.702 -10.486 -2.578 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.896 -10.028 -4.906 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.148 -11.508 -4.920 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.326 -12.205 -3.736 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.206 -12.203 -6.117 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.559 -13.568 -3.745 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.439 -13.565 -6.133 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.614 -14.249 -4.945 1.00 0.00 C ATOM 0 H PHE A 82 -1.361 -9.723 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.358 -8.675 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.480 -9.576 -4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.252 -9.598 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.282 -11.677 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.068 -11.674 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.698 -14.099 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.484 -14.095 -7.073 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.793 -15.314 -4.955 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.229 -11.745 -4.381 1.00 0.00 N ATOM 1343 CA LYS A 83 0.443 -12.787 -3.614 1.00 0.00 C ATOM 1344 C LYS A 83 1.820 -12.321 -3.152 1.00 0.00 C ATOM 1345 O LYS A 83 2.241 -12.611 -2.032 1.00 0.00 O ATOM 1346 CB LYS A 83 0.578 -14.060 -4.453 1.00 0.00 C ATOM 1347 CG LYS A 83 -0.751 -14.618 -4.932 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.588 -15.996 -5.550 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.680 -17.092 -4.501 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.303 -18.423 -5.054 1.00 0.00 N ATOM 0 H LYS A 83 -0.260 -11.916 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.162 -13.002 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.207 -13.850 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.090 -14.821 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.446 -14.674 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.189 -13.939 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.357 -16.150 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.375 -16.057 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.026 -16.849 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.697 -17.136 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.379 -19.143 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.942 -18.667 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.676 -18.389 -5.404 1.00 0.00 H new ATOM 1364 N LYS A 84 2.516 -11.597 -4.021 1.00 0.00 N ATOM 1365 CA LYS A 84 3.845 -11.088 -3.702 1.00 0.00 C ATOM 1366 C LYS A 84 3.766 -9.981 -2.656 1.00 0.00 C ATOM 1367 O LYS A 84 4.641 -9.861 -1.797 1.00 0.00 O ATOM 1368 CB LYS A 84 4.528 -10.561 -4.966 1.00 0.00 C ATOM 1369 CG LYS A 84 4.390 -11.486 -6.163 1.00 0.00 C ATOM 1370 CD LYS A 84 5.385 -11.136 -7.257 1.00 0.00 C ATOM 1371 CE LYS A 84 4.810 -10.115 -8.227 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.415 -10.236 -9.582 1.00 0.00 N ATOM 0 H LYS A 84 2.182 -11.349 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 84 4.434 -11.909 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.106 -9.588 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.587 -10.405 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.544 -12.518 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.376 -11.422 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.296 -10.740 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.663 -12.039 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.731 -10.249 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.982 -9.110 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.997 -9.523 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.442 -10.083 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.229 -11.186 -9.961 1.00 0.00 H new ATOM 1386 N VAL A 85 2.712 -9.174 -2.731 1.00 0.00 N ATOM 1387 CA VAL A 85 2.519 -8.079 -1.789 1.00 0.00 C ATOM 1388 C VAL A 85 2.226 -8.605 -0.388 1.00 0.00 C ATOM 1389 O VAL A 85 2.660 -8.025 0.608 1.00 0.00 O ATOM 1390 CB VAL A 85 1.367 -7.156 -2.230 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.137 -6.060 -1.201 1.00 0.00 C ATOM 1392 CG2 VAL A 85 1.658 -6.560 -3.599 1.00 0.00 C ATOM 0 H VAL A 85 1.979 -9.259 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 85 3.447 -7.508 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 85 0.456 -7.750 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.320 -5.418 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.882 -6.510 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.044 -5.466 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.834 -5.911 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.580 -5.980 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.769 -7.362 -4.329 1.00 0.00 H new ATOM 1402 N LEU A 86 1.487 -9.706 -0.318 1.00 0.00 N ATOM 1403 CA LEU A 86 1.135 -10.312 0.961 1.00 0.00 C ATOM 1404 C LEU A 86 2.270 -11.190 1.478 1.00 0.00 C ATOM 1405 O LEU A 86 2.684 -11.074 2.632 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.143 -11.141 0.821 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.458 -10.385 1.015 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.658 -9.369 -0.098 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.628 -11.356 1.070 1.00 0.00 C ATOM 0 H LEU A 86 1.120 -10.198 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 86 0.964 -9.511 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.151 -11.595 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.105 -11.955 1.545 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.411 -9.850 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.599 -8.841 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.835 -8.654 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.684 -9.883 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.556 -10.801 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.678 -11.919 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.490 -12.045 1.903 1.00 0.00 H new ATOM 1421 N LYS A 87 2.772 -12.068 0.616 1.00 0.00 N ATOM 1422 CA LYS A 87 3.863 -12.964 0.983 1.00 0.00 C ATOM 1423 C LYS A 87 5.094 -12.174 1.415 1.00 0.00 C ATOM 1424 O LYS A 87 5.720 -12.487 2.427 1.00 0.00 O ATOM 1425 CB LYS A 87 4.217 -13.877 -0.193 1.00 0.00 C ATOM 1426 CG LYS A 87 3.134 -14.890 -0.524 1.00 0.00 C ATOM 1427 CD LYS A 87 3.079 -16.005 0.507 1.00 0.00 C ATOM 1428 CE LYS A 87 4.166 -17.041 0.265 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.934 -17.806 -0.991 1.00 0.00 N ATOM 0 H LYS A 87 2.441 -12.178 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 87 3.532 -13.575 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.410 -13.264 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.142 -14.407 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.167 -14.388 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.321 -15.314 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.192 -15.584 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.102 -16.486 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.135 -16.545 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.205 -17.731 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.455 -18.705 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.918 -18.000 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.267 -17.249 -1.804 1.00 0.00 H new ATOM 1443 N GLY A 88 5.434 -11.146 0.643 1.00 0.00 N ATOM 1444 CA GLY A 88 6.588 -10.327 0.964 1.00 0.00 C ATOM 1445 C GLY A 88 7.504 -10.123 -0.226 1.00 0.00 C ATOM 1446 O GLY A 88 8.278 -9.168 -0.265 1.00 0.00 O ATOM 0 H GLY A 88 4.931 -10.866 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.251 -9.357 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.148 -10.795 1.773 1.00 0.00 H new ATOM 1450 N GLU A 89 7.416 -11.025 -1.199 1.00 0.00 N ATOM 1451 CA GLU A 89 8.246 -10.940 -2.395 1.00 0.00 C ATOM 1452 C GLU A 89 8.309 -9.506 -2.914 1.00 0.00 C ATOM 1453 O GLU A 89 9.268 -9.116 -3.579 1.00 0.00 O ATOM 1454 CB GLU A 89 7.704 -11.865 -3.486 1.00 0.00 C ATOM 1455 CG GLU A 89 7.941 -13.340 -3.207 1.00 0.00 C ATOM 1456 CD GLU A 89 7.555 -14.225 -4.377 1.00 0.00 C ATOM 1457 OE1 GLU A 89 8.400 -14.423 -5.275 1.00 0.00 O ATOM 1458 OE2 GLU A 89 6.408 -14.719 -4.394 1.00 0.00 O ATOM 0 H GLU A 89 6.779 -11.822 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 89 9.255 -11.256 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.634 -11.693 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.170 -11.604 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.993 -13.496 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.369 -13.636 -2.328 1.00 0.00 H new ATOM 1465 N VAL A 90 7.278 -8.726 -2.604 1.00 0.00 N ATOM 1466 CA VAL A 90 7.215 -7.335 -3.038 1.00 0.00 C ATOM 1467 C VAL A 90 6.971 -6.402 -1.857 1.00 0.00 C ATOM 1468 O VAL A 90 6.191 -6.713 -0.956 1.00 0.00 O ATOM 1469 CB VAL A 90 6.104 -7.123 -4.083 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.763 -5.646 -4.209 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.521 -7.699 -5.428 1.00 0.00 C ATOM 0 H VAL A 90 6.476 -9.033 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 90 8.179 -7.100 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 90 5.210 -7.650 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.976 -5.516 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.419 -5.269 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.650 -5.093 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.724 -7.540 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.429 -7.202 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.709 -8.768 -5.324 1.00 0.00 H new ATOM 1481 N THR A 91 7.643 -5.256 -1.867 1.00 0.00 N ATOM 1482 CA THR A 91 7.501 -4.276 -0.797 1.00 0.00 C ATOM 1483 C THR A 91 6.444 -3.234 -1.143 1.00 0.00 C ATOM 1484 O THR A 91 6.232 -2.891 -2.306 1.00 0.00 O ATOM 1485 CB THR A 91 8.835 -3.562 -0.508 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.588 -3.423 -1.718 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.651 -4.333 0.518 1.00 0.00 C ATOM 0 H THR A 91 8.292 -4.983 -2.605 1.00 0.00 H new ATOM 0 HA THR A 91 7.190 -4.823 0.093 1.00 0.00 H new ATOM 0 HB THR A 91 8.613 -2.575 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.434 -2.967 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.588 -3.809 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.087 -4.411 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.864 -5.332 0.138 1.00 0.00 H new ATOM 1495 N PRO A 92 5.762 -2.716 -0.110 1.00 0.00 N ATOM 1496 CA PRO A 92 4.716 -1.704 -0.280 1.00 0.00 C ATOM 1497 C PRO A 92 5.279 -0.354 -0.712 1.00 0.00 C ATOM 1498 O PRO A 92 4.529 0.580 -0.996 1.00 0.00 O ATOM 1499 CB PRO A 92 4.092 -1.602 1.114 1.00 0.00 C ATOM 1500 CG PRO A 92 5.170 -2.037 2.045 1.00 0.00 C ATOM 1501 CD PRO A 92 5.962 -3.079 1.303 1.00 0.00 C ATOM 0 HA PRO A 92 4.007 -1.978 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.770 -0.583 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.212 -2.240 1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.802 -1.196 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.750 -2.447 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.016 -3.055 1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.600 -4.085 1.515 1.00 0.00 H new ATOM 1509 N ASP A 93 6.603 -0.259 -0.759 1.00 0.00 N ATOM 1510 CA ASP A 93 7.267 0.976 -1.158 1.00 0.00 C ATOM 1511 C ASP A 93 7.823 0.862 -2.574 1.00 0.00 C ATOM 1512 O ASP A 93 8.131 1.867 -3.215 1.00 0.00 O ATOM 1513 CB ASP A 93 8.394 1.313 -0.180 1.00 0.00 C ATOM 1514 CG ASP A 93 9.505 2.114 -0.830 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.202 3.153 -1.454 1.00 0.00 O ATOM 1516 OD2 ASP A 93 10.678 1.702 -0.715 1.00 0.00 O ATOM 0 H ASP A 93 7.238 -1.023 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 93 6.529 1.778 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.986 1.877 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.806 0.390 0.227 1.00 0.00 H new ATOM 1521 N HIS A 94 7.951 -0.371 -3.056 1.00 0.00 N ATOM 1522 CA HIS A 94 8.471 -0.617 -4.396 1.00 0.00 C ATOM 1523 C HIS A 94 7.334 -0.866 -5.382 1.00 0.00 C ATOM 1524 O HIS A 94 7.431 -0.517 -6.560 1.00 0.00 O ATOM 1525 CB HIS A 94 9.424 -1.813 -4.385 1.00 0.00 C ATOM 1526 CG HIS A 94 10.300 -1.891 -5.597 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.499 -1.218 -5.704 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.148 -2.571 -6.757 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.045 -1.479 -6.878 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.245 -2.298 -7.537 1.00 0.00 N ATOM 0 H HIS A 94 7.702 -1.214 -2.539 1.00 0.00 H new ATOM 0 HA HIS A 94 9.018 0.270 -4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.052 -1.759 -3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.841 -2.731 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.318 -3.210 -7.021 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.986 -1.089 -7.238 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.414 -2.667 -8.473 1.00 0.00 H new ATOM 1539 N LEU A 95 6.257 -1.473 -4.895 1.00 0.00 N ATOM 1540 CA LEU A 95 5.101 -1.770 -5.734 1.00 0.00 C ATOM 1541 C LEU A 95 4.706 -0.555 -6.567 1.00 0.00 C ATOM 1542 O LEU A 95 4.144 -0.692 -7.654 1.00 0.00 O ATOM 1543 CB LEU A 95 3.921 -2.216 -4.870 1.00 0.00 C ATOM 1544 CG LEU A 95 2.629 -2.550 -5.618 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.696 -3.955 -6.195 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.427 -2.406 -4.697 1.00 0.00 C ATOM 0 H LEU A 95 6.160 -1.769 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 95 5.373 -2.579 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.225 -3.094 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.706 -1.427 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 95 2.516 -1.846 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.769 -4.176 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.534 -4.024 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.833 -4.674 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.517 -2.647 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.532 -3.087 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.369 -1.381 -4.332 1.00 0.00 H new ATOM 1558 N ILE A 96 5.006 0.632 -6.052 1.00 0.00 N ATOM 1559 CA ILE A 96 4.685 1.871 -6.750 1.00 0.00 C ATOM 1560 C ILE A 96 5.637 2.106 -7.917 1.00 0.00 C ATOM 1561 O ILE A 96 5.206 2.315 -9.051 1.00 0.00 O ATOM 1562 CB ILE A 96 4.743 3.083 -5.802 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.941 2.802 -4.530 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.219 4.328 -6.502 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.228 3.774 -3.407 1.00 0.00 C ATOM 0 H ILE A 96 5.471 0.762 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 96 3.668 1.766 -7.129 1.00 0.00 H new ATOM 0 HB ILE A 96 5.782 3.258 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.877 2.836 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.160 1.790 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.266 5.176 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.829 4.535 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.185 4.166 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.624 3.514 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.284 3.724 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.982 4.786 -3.730 1.00 0.00 H new ATOM 1577 N ARG A 97 6.935 2.069 -7.632 1.00 0.00 N ATOM 1578 CA ARG A 97 7.949 2.277 -8.658 1.00 0.00 C ATOM 1579 C ARG A 97 7.743 1.320 -9.829 1.00 0.00 C ATOM 1580 O ARG A 97 8.174 1.592 -10.949 1.00 0.00 O ATOM 1581 CB ARG A 97 9.348 2.086 -8.069 1.00 0.00 C ATOM 1582 CG ARG A 97 9.713 3.123 -7.019 1.00 0.00 C ATOM 1583 CD ARG A 97 10.749 2.586 -6.044 1.00 0.00 C ATOM 1584 NE ARG A 97 12.100 2.639 -6.597 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.870 3.721 -6.553 1.00 0.00 C ATOM 1586 NH1 ARG A 97 12.425 4.833 -5.984 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.088 3.692 -7.077 1.00 0.00 N ATOM 0 H ARG A 97 7.309 1.897 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 97 7.853 3.299 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.414 1.093 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.081 2.124 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.100 4.017 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.818 3.421 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.712 3.164 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.503 1.556 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 97 12.473 1.800 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.489 4.859 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.018 5.662 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.435 2.838 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.678 4.523 -7.043 1.00 0.00 H new ATOM 1601 N MET A 98 7.083 0.199 -9.560 1.00 0.00 N ATOM 1602 CA MET A 98 6.820 -0.798 -10.591 1.00 0.00 C ATOM 1603 C MET A 98 6.144 -0.163 -11.802 1.00 0.00 C ATOM 1604 O MET A 98 5.284 0.707 -11.660 1.00 0.00 O ATOM 1605 CB MET A 98 5.942 -1.920 -10.033 1.00 0.00 C ATOM 1606 CG MET A 98 6.558 -2.640 -8.845 1.00 0.00 C ATOM 1607 SD MET A 98 5.691 -4.166 -8.431 1.00 0.00 S ATOM 1608 CE MET A 98 6.625 -5.356 -9.390 1.00 0.00 C ATOM 0 H MET A 98 6.721 -0.042 -8.638 1.00 0.00 H new ATOM 0 HA MET A 98 7.775 -1.217 -10.908 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.980 -1.503 -9.736 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.745 -2.644 -10.824 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.601 -2.868 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.551 -1.977 -7.980 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.209 -6.352 -9.239 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.569 -5.096 -10.447 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.666 -5.345 -9.068 1.00 0.00 H new ATOM 1618 N SER A 99 6.539 -0.602 -12.993 1.00 0.00 N ATOM 1619 CA SER A 99 5.974 -0.073 -14.229 1.00 0.00 C ATOM 1620 C SER A 99 4.629 -0.725 -14.534 1.00 0.00 C ATOM 1621 O SER A 99 4.330 -1.831 -14.085 1.00 0.00 O ATOM 1622 CB SER A 99 6.940 -0.300 -15.394 1.00 0.00 C ATOM 1623 OG SER A 99 7.874 0.760 -15.495 1.00 0.00 O ATOM 0 H SER A 99 7.248 -1.323 -13.128 1.00 0.00 H new ATOM 0 HA SER A 99 5.818 0.998 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.469 -1.243 -15.254 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.379 -0.385 -16.325 1.00 0.00 H new ATOM 0 HG SER A 99 8.481 0.591 -16.246 1.00 0.00 H new ATOM 1629 N PRO A 100 3.797 -0.022 -15.317 1.00 0.00 N ATOM 1630 CA PRO A 100 2.469 -0.512 -15.702 1.00 0.00 C ATOM 1631 C PRO A 100 2.543 -1.689 -16.668 1.00 0.00 C ATOM 1632 O PRO A 100 1.519 -2.244 -17.063 1.00 0.00 O ATOM 1633 CB PRO A 100 1.828 0.699 -16.383 1.00 0.00 C ATOM 1634 CG PRO A 100 2.977 1.506 -16.882 1.00 0.00 C ATOM 1635 CD PRO A 100 4.088 1.303 -15.889 1.00 0.00 C ATOM 0 HA PRO A 100 1.907 -0.883 -14.845 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.174 0.394 -17.200 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.218 1.270 -15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.279 1.181 -17.878 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.710 2.560 -16.958 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.066 1.327 -16.370 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.090 2.079 -15.124 1.00 0.00 H new ATOM 1643 N GLU A 101 3.762 -2.065 -17.044 1.00 0.00 N ATOM 1644 CA GLU A 101 3.967 -3.176 -17.965 1.00 0.00 C ATOM 1645 C GLU A 101 4.443 -4.420 -17.219 1.00 0.00 C ATOM 1646 O GLU A 101 4.146 -5.546 -17.617 1.00 0.00 O ATOM 1647 CB GLU A 101 4.985 -2.794 -19.042 1.00 0.00 C ATOM 1648 CG GLU A 101 5.255 -3.903 -20.046 1.00 0.00 C ATOM 1649 CD GLU A 101 4.242 -3.927 -21.174 1.00 0.00 C ATOM 1650 OE1 GLU A 101 3.799 -2.840 -21.598 1.00 0.00 O ATOM 1651 OE2 GLU A 101 3.893 -5.035 -21.633 1.00 0.00 O ATOM 0 H GLU A 101 4.621 -1.617 -16.725 1.00 0.00 H new ATOM 0 HA GLU A 101 3.012 -3.401 -18.441 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.625 -1.913 -19.574 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.922 -2.515 -18.561 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.254 -3.776 -20.462 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.244 -4.864 -19.532 1.00 0.00 H new ATOM 1658 N GLU A 102 5.184 -4.206 -16.136 1.00 0.00 N ATOM 1659 CA GLU A 102 5.702 -5.309 -15.336 1.00 0.00 C ATOM 1660 C GLU A 102 4.634 -5.840 -14.384 1.00 0.00 C ATOM 1661 O GLU A 102 4.473 -7.051 -14.226 1.00 0.00 O ATOM 1662 CB GLU A 102 6.930 -4.860 -14.542 1.00 0.00 C ATOM 1663 CG GLU A 102 8.072 -4.367 -15.415 1.00 0.00 C ATOM 1664 CD GLU A 102 8.743 -5.487 -16.186 1.00 0.00 C ATOM 1665 OE1 GLU A 102 8.890 -6.591 -15.622 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.120 -5.258 -17.354 1.00 0.00 O ATOM 0 H GLU A 102 5.439 -3.280 -15.793 1.00 0.00 H new ATOM 0 HA GLU A 102 5.990 -6.111 -16.015 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.638 -4.064 -13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.283 -5.692 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.693 -3.624 -16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.812 -3.867 -14.790 1.00 0.00 H new ATOM 1673 N LEU A 103 3.906 -4.925 -13.753 1.00 0.00 N ATOM 1674 CA LEU A 103 2.852 -5.299 -12.816 1.00 0.00 C ATOM 1675 C LEU A 103 2.025 -6.459 -13.361 1.00 0.00 C ATOM 1676 O LEU A 103 1.686 -7.390 -12.631 1.00 0.00 O ATOM 1677 CB LEU A 103 1.946 -4.100 -12.532 1.00 0.00 C ATOM 1678 CG LEU A 103 2.593 -2.930 -11.791 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.922 -1.619 -12.173 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.525 -3.147 -10.287 1.00 0.00 C ATOM 0 H LEU A 103 4.026 -3.919 -13.873 1.00 0.00 H new ATOM 0 HA LEU A 103 3.323 -5.619 -11.886 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.556 -3.732 -13.481 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.092 -4.445 -11.949 1.00 0.00 H new ATOM 0 HG LEU A 103 3.642 -2.876 -12.083 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.396 -0.798 -11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.024 -1.457 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.865 -1.662 -11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.990 -2.304 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.483 -3.228 -9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.053 -4.065 -10.028 1.00 0.00 H new