USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 13 HIS : no HD1:sc= -0.622 X(o=-0.85,f=-0.97) USER MOD Set 1.2: A 117 MET CE :methyl 162:sc= -0.227 (180deg=-0.622) USER MOD Set 2.1: A 90 TYR OH : rot -157:sc= 0.516 USER MOD Set 2.2: A 107 GLN : amide:sc= 1.03 K(o=1.5,f=-1.4) USER MOD Set 3.1: A 29 HIS : no HE2:sc= -0.225 X(o=-0.22,f=-0.26) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 0.0096 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 71:sc= 0.604 USER MOD Single : A 19 SER OG : rot 82:sc= 0.14 USER MOD Single : A 24 MET CE :methyl 163:sc= 0 (180deg=-0.4) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00321 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.952 USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -0.181 (180deg=-1.71!) USER MOD Single : A 50 TYR OH : rot 30:sc= -2.39! USER MOD Single : A 51 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= 0.298 F(o=-2.4!,f=0.3) USER MOD Single : A 58 MET CE :methyl 164:sc= -0.0465 (180deg=-0.703) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.553) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -116:sc= -3.25 (180deg=-12.1!) USER MOD Single : A 72 TYR OH : rot -110:sc= -1.2 USER MOD Single : A 76 GLN : amide:sc= -0.0305 K(o=-0.031,f=-0.54) USER MOD Single : A 85 MET CE :methyl 149:sc= -0.614 (180deg=-2.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -3.84! C(o=-3.8!,f=-7.7!) USER MOD Single : A 89 CYS SG : rot -19:sc= -0.476 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -1.13 (180deg=-2.11!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.78) USER MOD Single : A 97 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.8) USER MOD Single : A 102 MET CE :methyl -129:sc= -2.86 (180deg=-7.33!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 149:sc= -0.421 (180deg=-1.36!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.119 18.171 4.869 1.00 0.00 N ATOM 115 CA SER A 11 -5.088 18.562 3.852 1.00 0.00 C ATOM 116 C SER A 11 -6.474 18.018 4.185 1.00 0.00 C ATOM 117 O SER A 11 -6.618 16.868 4.596 1.00 0.00 O ATOM 118 CB SER A 11 -4.647 18.057 2.476 1.00 0.00 C ATOM 119 OG SER A 11 -3.458 18.702 2.053 1.00 0.00 O ATOM 0 HA SER A 11 -5.138 19.651 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.486 16.980 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.439 18.235 1.749 1.00 0.00 H new ATOM 0 HG SER A 11 -2.886 18.876 2.830 1.00 0.00 H new ATOM 125 N GLU A 12 -7.490 18.856 4.004 1.00 0.00 N ATOM 126 CA GLU A 12 -8.865 18.460 4.286 1.00 0.00 C ATOM 127 C GLU A 12 -9.100 17.000 3.908 1.00 0.00 C ATOM 128 O GLU A 12 -9.902 16.306 4.534 1.00 0.00 O ATOM 129 CB GLU A 12 -9.844 19.358 3.528 1.00 0.00 C ATOM 130 CG GLU A 12 -9.570 19.433 2.035 1.00 0.00 C ATOM 131 CD GLU A 12 -10.769 19.921 1.245 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.910 19.663 1.681 1.00 0.00 O ATOM 133 OE2 GLU A 12 -10.566 20.560 0.192 1.00 0.00 O ATOM 0 H GLU A 12 -7.387 19.812 3.664 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.035 18.572 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.858 18.990 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.802 20.363 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.727 20.100 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.278 18.447 1.673 1.00 0.00 H new ATOM 140 N HIS A 13 -8.394 16.541 2.880 1.00 0.00 N ATOM 141 CA HIS A 13 -8.524 15.164 2.417 1.00 0.00 C ATOM 142 C HIS A 13 -7.560 14.246 3.163 1.00 0.00 C ATOM 143 O HIS A 13 -7.915 13.128 3.539 1.00 0.00 O ATOM 144 CB HIS A 13 -8.264 15.082 0.913 1.00 0.00 C ATOM 145 CG HIS A 13 -9.444 15.476 0.079 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.351 15.767 -1.266 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.749 15.625 0.405 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.548 16.080 -1.730 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.414 16.001 -0.736 1.00 0.00 N ATOM 0 H HIS A 13 -7.726 17.102 2.352 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.543 14.834 2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.421 15.726 0.663 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.973 14.063 0.658 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.186 15.476 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.779 16.354 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.414 16.189 -0.805 1.00 0.00 H new ATOM 157 N LEU A 14 -6.339 14.725 3.373 1.00 0.00 N ATOM 158 CA LEU A 14 -5.322 13.948 4.073 1.00 0.00 C ATOM 159 C LEU A 14 -5.816 13.521 5.452 1.00 0.00 C ATOM 160 O LEU A 14 -5.629 12.376 5.862 1.00 0.00 O ATOM 161 CB LEU A 14 -4.034 14.762 4.210 1.00 0.00 C ATOM 162 CG LEU A 14 -2.832 14.023 4.800 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.710 12.634 4.193 1.00 0.00 C ATOM 164 CD2 LEU A 14 -1.555 14.819 4.577 1.00 0.00 C ATOM 0 H LEU A 14 -6.029 15.648 3.069 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.118 13.052 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.757 15.135 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.242 15.632 4.833 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.986 13.916 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.849 12.123 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.615 12.064 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.578 12.719 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.710 14.278 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.395 14.958 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.644 15.792 5.060 1.00 0.00 H new ATOM 176 N ARG A 15 -6.450 14.449 6.161 1.00 0.00 N ATOM 177 CA ARG A 15 -6.973 14.169 7.493 1.00 0.00 C ATOM 178 C ARG A 15 -7.940 12.989 7.460 1.00 0.00 C ATOM 179 O ARG A 15 -7.870 12.092 8.300 1.00 0.00 O ATOM 180 CB ARG A 15 -7.677 15.404 8.058 1.00 0.00 C ATOM 181 CG ARG A 15 -8.778 15.942 7.159 1.00 0.00 C ATOM 182 CD ARG A 15 -9.417 17.190 7.748 1.00 0.00 C ATOM 183 NE ARG A 15 -10.764 17.413 7.227 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.791 16.610 7.480 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.627 15.537 8.242 1.00 0.00 N ATOM 186 NH2 ARG A 15 -12.986 16.879 6.970 1.00 0.00 N ATOM 0 H ARG A 15 -6.614 15.402 5.835 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.134 13.911 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.102 15.156 9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.939 16.189 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.367 16.172 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.539 15.175 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.459 17.098 8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.794 18.056 7.525 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.924 18.230 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.710 15.326 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.418 14.922 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.116 17.703 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.774 16.262 7.165 1.00 0.00 H new ATOM 200 N TYR A 16 -8.843 12.998 6.485 1.00 0.00 N ATOM 201 CA TYR A 16 -9.826 11.931 6.344 1.00 0.00 C ATOM 202 C TYR A 16 -9.152 10.614 5.969 1.00 0.00 C ATOM 203 O TYR A 16 -9.432 9.570 6.560 1.00 0.00 O ATOM 204 CB TYR A 16 -10.866 12.303 5.287 1.00 0.00 C ATOM 205 CG TYR A 16 -11.835 11.186 4.970 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.462 10.129 4.149 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.122 11.188 5.492 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.344 9.107 3.857 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.010 10.169 5.206 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.617 9.131 4.388 1.00 0.00 C ATOM 211 OH TYR A 16 -14.498 8.114 4.100 1.00 0.00 O ATOM 0 H TYR A 16 -8.914 13.733 5.781 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.324 11.802 7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.427 13.172 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.352 12.597 4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.466 10.106 3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.434 12.000 6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.039 8.293 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.007 10.185 5.621 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.351 8.282 4.553 1.00 0.00 H new ATOM 221 N CYS A 17 -8.262 10.673 4.985 1.00 0.00 N ATOM 222 CA CYS A 17 -7.547 9.486 4.529 1.00 0.00 C ATOM 223 C CYS A 17 -6.914 8.748 5.705 1.00 0.00 C ATOM 224 O CYS A 17 -7.030 7.528 5.819 1.00 0.00 O ATOM 225 CB CYS A 17 -6.470 9.873 3.515 1.00 0.00 C ATOM 226 SG CYS A 17 -7.120 10.548 1.968 1.00 0.00 S ATOM 0 H CYS A 17 -8.018 11.529 4.488 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.265 8.821 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.806 10.609 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.866 8.994 3.290 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.603 11.736 2.182 1.00 0.00 H new ATOM 232 N ASP A 18 -6.243 9.496 6.574 1.00 0.00 N ATOM 233 CA ASP A 18 -5.591 8.913 7.741 1.00 0.00 C ATOM 234 C ASP A 18 -6.472 7.843 8.378 1.00 0.00 C ATOM 235 O ASP A 18 -5.979 6.936 9.047 1.00 0.00 O ATOM 236 CB ASP A 18 -5.265 10.000 8.766 1.00 0.00 C ATOM 237 CG ASP A 18 -4.926 9.428 10.128 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.203 8.411 10.182 1.00 0.00 O ATOM 239 OD2 ASP A 18 -5.383 9.998 11.141 1.00 0.00 O ATOM 0 H ASP A 18 -6.136 10.507 6.492 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.663 8.445 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.426 10.595 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.116 10.674 8.860 1.00 0.00 H new ATOM 244 N SER A 19 -7.780 7.958 8.167 1.00 0.00 N ATOM 245 CA SER A 19 -8.731 7.003 8.724 1.00 0.00 C ATOM 246 C SER A 19 -8.895 5.798 7.803 1.00 0.00 C ATOM 247 O SER A 19 -8.980 4.659 8.262 1.00 0.00 O ATOM 248 CB SER A 19 -10.086 7.675 8.951 1.00 0.00 C ATOM 249 OG SER A 19 -9.927 8.983 9.473 1.00 0.00 O ATOM 0 H SER A 19 -8.205 8.703 7.615 1.00 0.00 H new ATOM 0 HA SER A 19 -8.341 6.655 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.635 7.720 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.682 7.076 9.639 1.00 0.00 H new ATOM 0 HG SER A 19 -9.734 9.606 8.741 1.00 0.00 H new ATOM 255 N ILE A 20 -8.939 6.059 6.501 1.00 0.00 N ATOM 256 CA ILE A 20 -9.092 4.997 5.514 1.00 0.00 C ATOM 257 C ILE A 20 -8.114 3.857 5.777 1.00 0.00 C ATOM 258 O ILE A 20 -8.401 2.697 5.481 1.00 0.00 O ATOM 259 CB ILE A 20 -8.877 5.523 4.083 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.828 6.687 3.796 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.080 4.405 3.072 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.661 7.277 2.413 1.00 0.00 C ATOM 0 H ILE A 20 -8.871 6.996 6.105 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.113 4.626 5.606 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.853 5.885 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.856 6.343 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.666 7.469 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.925 4.792 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.367 3.604 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.095 4.016 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.367 8.097 2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.644 7.651 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.852 6.508 1.664 1.00 0.00 H new ATOM 274 N LEU A 21 -6.957 4.195 6.337 1.00 0.00 N ATOM 275 CA LEU A 21 -5.936 3.200 6.642 1.00 0.00 C ATOM 276 C LEU A 21 -6.271 2.452 7.929 1.00 0.00 C ATOM 277 O LEU A 21 -6.231 1.223 7.972 1.00 0.00 O ATOM 278 CB LEU A 21 -4.566 3.869 6.770 1.00 0.00 C ATOM 279 CG LEU A 21 -3.476 3.041 7.452 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.121 1.827 6.608 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.241 3.893 7.709 1.00 0.00 C ATOM 0 H LEU A 21 -6.703 5.150 6.589 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.908 2.482 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.220 4.137 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.689 4.799 7.325 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.859 2.692 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.344 1.250 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.006 1.205 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.758 2.155 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.476 3.287 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.857 4.272 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.505 4.731 8.355 1.00 0.00 H new ATOM 293 N ARG A 22 -6.604 3.203 8.974 1.00 0.00 N ATOM 294 CA ARG A 22 -6.948 2.612 10.261 1.00 0.00 C ATOM 295 C ARG A 22 -8.006 1.526 10.095 1.00 0.00 C ATOM 296 O ARG A 22 -8.038 0.556 10.852 1.00 0.00 O ATOM 297 CB ARG A 22 -7.453 3.689 11.223 1.00 0.00 C ATOM 298 CG ARG A 22 -8.959 3.886 11.179 1.00 0.00 C ATOM 299 CD ARG A 22 -9.668 2.988 12.180 1.00 0.00 C ATOM 300 NE ARG A 22 -9.829 3.637 13.479 1.00 0.00 N ATOM 301 CZ ARG A 22 -10.079 2.977 14.604 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.196 1.656 14.590 1.00 0.00 N ATOM 303 NH2 ARG A 22 -10.212 3.638 15.747 1.00 0.00 N ATOM 0 H ARG A 22 -6.643 4.222 8.954 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.048 2.158 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.159 3.424 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.964 4.634 10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.197 4.928 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.326 3.674 10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.647 2.711 11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.102 2.065 12.304 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.745 4.653 13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.094 1.144 13.714 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.388 1.152 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.122 4.654 15.762 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.404 3.130 16.610 1.00 0.00 H new ATOM 317 N GLU A 23 -8.871 1.697 9.100 1.00 0.00 N ATOM 318 CA GLU A 23 -9.932 0.731 8.836 1.00 0.00 C ATOM 319 C GLU A 23 -9.388 -0.484 8.091 1.00 0.00 C ATOM 320 O GLU A 23 -9.721 -1.624 8.415 1.00 0.00 O ATOM 321 CB GLU A 23 -11.053 1.382 8.023 1.00 0.00 C ATOM 322 CG GLU A 23 -11.998 0.381 7.380 1.00 0.00 C ATOM 323 CD GLU A 23 -13.036 -0.149 8.350 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.645 -0.608 9.443 1.00 0.00 O ATOM 325 OE2 GLU A 23 -14.238 -0.104 8.015 1.00 0.00 O ATOM 0 H GLU A 23 -8.858 2.494 8.464 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.333 0.399 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.625 2.043 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.612 2.004 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.502 0.853 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.421 -0.453 6.980 1.00 0.00 H new ATOM 332 N MET A 24 -8.550 -0.232 7.091 1.00 0.00 N ATOM 333 CA MET A 24 -7.959 -1.306 6.300 1.00 0.00 C ATOM 334 C MET A 24 -7.071 -2.193 7.166 1.00 0.00 C ATOM 335 O MET A 24 -6.687 -3.291 6.759 1.00 0.00 O ATOM 336 CB MET A 24 -7.147 -0.726 5.141 1.00 0.00 C ATOM 337 CG MET A 24 -8.000 -0.064 4.072 1.00 0.00 C ATOM 338 SD MET A 24 -7.149 1.293 3.245 1.00 0.00 S ATOM 339 CE MET A 24 -5.572 0.528 2.874 1.00 0.00 C ATOM 0 H MET A 24 -8.265 0.706 6.809 1.00 0.00 H new ATOM 0 HA MET A 24 -8.768 -1.916 5.898 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.440 0.005 5.534 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.561 -1.523 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.291 -0.810 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.918 0.311 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.054 1.113 2.114 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.965 0.488 3.779 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.737 -0.484 2.503 1.00 0.00 H new ATOM 349 N LEU A 25 -6.746 -1.711 8.361 1.00 0.00 N ATOM 350 CA LEU A 25 -5.902 -2.461 9.284 1.00 0.00 C ATOM 351 C LEU A 25 -6.743 -3.156 10.350 1.00 0.00 C ATOM 352 O LEU A 25 -6.306 -3.323 11.489 1.00 0.00 O ATOM 353 CB LEU A 25 -4.885 -1.530 9.947 1.00 0.00 C ATOM 354 CG LEU A 25 -3.553 -1.362 9.216 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.748 -0.225 9.828 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.758 -2.659 9.250 1.00 0.00 C ATOM 0 H LEU A 25 -7.054 -0.805 8.713 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.371 -3.223 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.342 -0.547 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.681 -1.903 10.951 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.761 -1.114 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.803 -0.120 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.313 0.704 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.550 -0.443 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.813 -2.520 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.560 -2.938 10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.330 -3.449 8.764 1.00 0.00 H new ATOM 368 N SER A 26 -7.952 -3.560 9.972 1.00 0.00 N ATOM 369 CA SER A 26 -8.856 -4.235 10.896 1.00 0.00 C ATOM 370 C SER A 26 -8.996 -5.712 10.537 1.00 0.00 C ATOM 371 O SER A 26 -8.802 -6.104 9.386 1.00 0.00 O ATOM 372 CB SER A 26 -10.230 -3.563 10.882 1.00 0.00 C ATOM 373 OG SER A 26 -11.124 -4.210 11.770 1.00 0.00 O ATOM 0 H SER A 26 -8.328 -3.432 9.033 1.00 0.00 H new ATOM 0 HA SER A 26 -8.434 -4.160 11.898 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.128 -2.515 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.638 -3.584 9.871 1.00 0.00 H new ATOM 0 HG SER A 26 -11.994 -3.760 11.743 1.00 0.00 H new ATOM 379 N LYS A 27 -9.334 -6.526 11.531 1.00 0.00 N ATOM 380 CA LYS A 27 -9.502 -7.959 11.323 1.00 0.00 C ATOM 381 C LYS A 27 -10.507 -8.233 10.208 1.00 0.00 C ATOM 382 O LYS A 27 -10.390 -9.219 9.480 1.00 0.00 O ATOM 383 CB LYS A 27 -9.964 -8.633 12.617 1.00 0.00 C ATOM 384 CG LYS A 27 -9.819 -10.144 12.602 1.00 0.00 C ATOM 385 CD LYS A 27 -10.996 -10.811 11.910 1.00 0.00 C ATOM 386 CE LYS A 27 -11.267 -12.195 12.479 1.00 0.00 C ATOM 387 NZ LYS A 27 -11.998 -12.128 13.775 1.00 0.00 N ATOM 0 H LYS A 27 -9.497 -6.217 12.489 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.538 -8.373 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.390 -8.230 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.009 -8.379 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.895 -10.417 12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.740 -10.513 13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.885 -10.190 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.795 -10.889 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.850 -12.774 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.323 -12.721 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.164 -13.091 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.431 -11.597 14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.910 -11.649 13.635 1.00 0.00 H new ATOM 401 N LYS A 28 -11.495 -7.353 10.079 1.00 0.00 N ATOM 402 CA LYS A 28 -12.519 -7.498 9.052 1.00 0.00 C ATOM 403 C LYS A 28 -11.887 -7.703 7.679 1.00 0.00 C ATOM 404 O LYS A 28 -12.070 -8.745 7.049 1.00 0.00 O ATOM 405 CB LYS A 28 -13.425 -6.265 9.029 1.00 0.00 C ATOM 406 CG LYS A 28 -14.638 -6.385 9.935 1.00 0.00 C ATOM 407 CD LYS A 28 -15.812 -7.028 9.214 1.00 0.00 C ATOM 408 CE LYS A 28 -16.659 -5.990 8.493 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.845 -6.603 7.835 1.00 0.00 N ATOM 0 H LYS A 28 -11.608 -6.532 10.673 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.117 -8.377 9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.844 -5.392 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.761 -6.090 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.380 -6.978 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.926 -5.396 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.443 -7.760 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.429 -7.568 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.989 -5.233 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.051 -5.481 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.396 -5.863 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.530 -7.308 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.439 -7.067 8.552 1.00 0.00 H new ATOM 423 N HIS A 29 -11.142 -6.702 7.220 1.00 0.00 N ATOM 424 CA HIS A 29 -10.481 -6.774 5.921 1.00 0.00 C ATOM 425 C HIS A 29 -9.155 -7.520 6.028 1.00 0.00 C ATOM 426 O HIS A 29 -8.545 -7.869 5.017 1.00 0.00 O ATOM 427 CB HIS A 29 -10.246 -5.369 5.367 1.00 0.00 C ATOM 428 CG HIS A 29 -11.418 -4.452 5.541 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.536 -4.498 4.735 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.643 -3.463 6.437 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.397 -3.576 5.127 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.879 -2.934 6.158 1.00 0.00 N ATOM 0 H HIS A 29 -10.981 -5.832 7.728 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.132 -7.321 5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.378 -4.933 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.006 -5.441 4.306 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.676 -5.143 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.975 -3.148 7.225 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.361 -3.381 4.680 1.00 0.00 H new ATOM 440 N ALA A 30 -8.714 -7.761 7.258 1.00 0.00 N ATOM 441 CA ALA A 30 -7.460 -8.466 7.496 1.00 0.00 C ATOM 442 C ALA A 30 -7.408 -9.772 6.711 1.00 0.00 C ATOM 443 O ALA A 30 -6.398 -10.091 6.084 1.00 0.00 O ATOM 444 CB ALA A 30 -7.279 -8.734 8.982 1.00 0.00 C ATOM 0 H ALA A 30 -9.206 -7.478 8.105 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.644 -7.832 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.339 -9.261 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.263 -7.788 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.105 -9.346 9.345 1.00 0.00 H new ATOM 450 N ALA A 31 -8.503 -10.525 6.750 1.00 0.00 N ATOM 451 CA ALA A 31 -8.582 -11.796 6.041 1.00 0.00 C ATOM 452 C ALA A 31 -8.034 -11.669 4.623 1.00 0.00 C ATOM 453 O ALA A 31 -7.360 -12.571 4.125 1.00 0.00 O ATOM 454 CB ALA A 31 -10.019 -12.295 6.010 1.00 0.00 C ATOM 0 H ALA A 31 -9.347 -10.276 7.265 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.969 -12.521 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.063 -13.245 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.378 -12.434 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.647 -11.564 5.501 1.00 0.00 H new ATOM 460 N TYR A 32 -8.328 -10.545 3.979 1.00 0.00 N ATOM 461 CA TYR A 32 -7.867 -10.302 2.617 1.00 0.00 C ATOM 462 C TYR A 32 -7.007 -9.044 2.550 1.00 0.00 C ATOM 463 O TYR A 32 -6.773 -8.495 1.473 1.00 0.00 O ATOM 464 CB TYR A 32 -9.060 -10.169 1.669 1.00 0.00 C ATOM 465 CG TYR A 32 -10.271 -9.528 2.306 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.403 -8.146 2.358 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.285 -10.304 2.855 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.508 -7.555 2.940 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.394 -9.722 3.437 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.501 -8.347 3.478 1.00 0.00 C ATOM 471 OH TYR A 32 -13.604 -7.763 4.057 1.00 0.00 O ATOM 0 H TYR A 32 -8.883 -9.788 4.378 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.259 -11.153 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.761 -9.579 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.334 -11.158 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.628 -7.523 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.204 -11.381 2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.594 -6.479 2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.173 -10.340 3.858 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.209 -8.461 4.386 1.00 0.00 H new ATOM 481 N ALA A 33 -6.537 -8.593 3.709 1.00 0.00 N ATOM 482 CA ALA A 33 -5.701 -7.402 3.782 1.00 0.00 C ATOM 483 C ALA A 33 -4.430 -7.672 4.580 1.00 0.00 C ATOM 484 O ALA A 33 -3.655 -6.757 4.860 1.00 0.00 O ATOM 485 CB ALA A 33 -6.478 -6.249 4.400 1.00 0.00 C ATOM 0 H ALA A 33 -6.721 -9.035 4.610 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.411 -7.129 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.841 -5.366 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.354 -6.032 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.796 -6.522 5.406 1.00 0.00 H new ATOM 491 N TRP A 34 -4.221 -8.933 4.942 1.00 0.00 N ATOM 492 CA TRP A 34 -3.043 -9.323 5.708 1.00 0.00 C ATOM 493 C TRP A 34 -1.833 -9.492 4.797 1.00 0.00 C ATOM 494 O TRP A 34 -0.687 -9.276 5.195 1.00 0.00 O ATOM 495 CB TRP A 34 -3.311 -10.624 6.467 1.00 0.00 C ATOM 496 CG TRP A 34 -3.422 -11.821 5.573 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.562 -12.501 5.251 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.352 -12.482 4.888 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.265 -13.544 4.406 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.916 -13.553 4.168 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.973 -12.271 4.811 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.148 -14.409 3.384 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.211 -13.122 4.033 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.800 -14.180 3.327 1.00 0.00 C ATOM 0 H TRP A 34 -4.852 -9.702 4.717 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.827 -8.530 6.424 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.508 -10.789 7.185 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -4.233 -10.519 7.038 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.551 -12.255 5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.940 -14.204 4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.511 -11.457 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.600 -15.225 2.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.856 -12.969 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.178 -14.827 2.726 1.00 0.00 H new ATOM 515 N PRO A 35 -2.086 -9.887 3.541 1.00 0.00 N ATOM 516 CA PRO A 35 -0.947 -10.060 2.635 1.00 0.00 C ATOM 517 C PRO A 35 0.008 -8.871 2.671 1.00 0.00 C ATOM 518 O PRO A 35 1.179 -8.991 2.311 1.00 0.00 O ATOM 519 CB PRO A 35 -1.603 -10.178 1.258 1.00 0.00 C ATOM 520 CG PRO A 35 -2.971 -10.699 1.534 1.00 0.00 C ATOM 521 CD PRO A 35 -3.369 -10.192 2.886 1.00 0.00 C ATOM 0 HA PRO A 35 -0.338 -10.922 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.641 -9.212 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.045 -10.854 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.674 -10.360 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.980 -11.789 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.000 -9.306 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.934 -10.940 3.443 1.00 0.00 H new ATOM 529 N PHE A 36 -0.500 -7.724 3.108 1.00 0.00 N ATOM 530 CA PHE A 36 0.307 -6.512 3.190 1.00 0.00 C ATOM 531 C PHE A 36 0.477 -6.069 4.640 1.00 0.00 C ATOM 532 O PHE A 36 0.405 -4.880 4.950 1.00 0.00 O ATOM 533 CB PHE A 36 -0.336 -5.389 2.374 1.00 0.00 C ATOM 534 CG PHE A 36 -0.941 -5.857 1.082 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.260 -6.280 1.032 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.192 -5.875 -0.083 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.819 -6.712 -0.155 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.745 -6.306 -1.274 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.061 -6.724 -1.310 1.00 0.00 C ATOM 0 H PHE A 36 -1.467 -7.608 3.411 1.00 0.00 H new ATOM 0 HA PHE A 36 1.292 -6.733 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.109 -4.911 2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.416 -4.630 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.858 -6.272 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.837 -5.548 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.848 -7.040 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.149 -6.316 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.497 -7.060 -2.239 1.00 0.00 H new ATOM 549 N TYR A 37 0.703 -7.034 5.525 1.00 0.00 N ATOM 550 CA TYR A 37 0.880 -6.746 6.943 1.00 0.00 C ATOM 551 C TYR A 37 2.338 -6.923 7.357 1.00 0.00 C ATOM 552 O TYR A 37 2.948 -6.020 7.929 1.00 0.00 O ATOM 553 CB TYR A 37 -0.015 -7.655 7.786 1.00 0.00 C ATOM 554 CG TYR A 37 -1.379 -7.067 8.069 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.094 -6.409 7.076 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.952 -7.168 9.331 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.340 -5.870 7.330 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.199 -6.633 9.594 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.888 -5.985 8.591 1.00 0.00 C ATOM 560 OH TYR A 37 -5.129 -5.449 8.849 1.00 0.00 O ATOM 0 H TYR A 37 0.768 -8.023 5.285 1.00 0.00 H new ATOM 0 HA TYR A 37 0.596 -5.708 7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.139 -8.608 7.271 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.484 -7.866 8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.668 -6.317 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.414 -7.673 10.120 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.882 -5.362 6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.631 -6.722 10.580 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.370 -5.617 9.784 1.00 0.00 H new ATOM 570 N LYS A 38 2.891 -8.095 7.062 1.00 0.00 N ATOM 571 CA LYS A 38 4.277 -8.394 7.400 1.00 0.00 C ATOM 572 C LYS A 38 5.226 -7.851 6.337 1.00 0.00 C ATOM 573 O LYS A 38 4.899 -7.790 5.151 1.00 0.00 O ATOM 574 CB LYS A 38 4.473 -9.904 7.550 1.00 0.00 C ATOM 575 CG LYS A 38 3.631 -10.520 8.654 1.00 0.00 C ATOM 576 CD LYS A 38 4.183 -11.867 9.091 1.00 0.00 C ATOM 577 CE LYS A 38 3.722 -12.984 8.168 1.00 0.00 C ATOM 578 NZ LYS A 38 4.476 -12.990 6.884 1.00 0.00 N ATOM 0 H LYS A 38 2.400 -8.854 6.589 1.00 0.00 H new ATOM 0 HA LYS A 38 4.506 -7.908 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.229 -10.389 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.525 -10.107 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.599 -9.844 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.605 -10.642 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.272 -11.829 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.861 -12.080 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.849 -13.944 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.657 -12.870 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.623 -13.971 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.934 -12.475 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.398 -12.528 7.021 1.00 0.00 H new ATOM 592 N PRO A 39 6.431 -7.447 6.768 1.00 0.00 N ATOM 593 CA PRO A 39 7.452 -6.904 5.867 1.00 0.00 C ATOM 594 C PRO A 39 8.031 -7.966 4.939 1.00 0.00 C ATOM 595 O PRO A 39 8.276 -9.099 5.353 1.00 0.00 O ATOM 596 CB PRO A 39 8.529 -6.385 6.824 1.00 0.00 C ATOM 597 CG PRO A 39 8.360 -7.198 8.061 1.00 0.00 C ATOM 598 CD PRO A 39 6.888 -7.490 8.167 1.00 0.00 C ATOM 0 HA PRO A 39 7.046 -6.139 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.526 -6.509 6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.399 -5.322 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.938 -8.121 8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.714 -6.654 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.703 -8.464 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.374 -6.750 8.781 1.00 0.00 H new ATOM 606 N VAL A 40 8.249 -7.592 3.682 1.00 0.00 N ATOM 607 CA VAL A 40 8.801 -8.513 2.696 1.00 0.00 C ATOM 608 C VAL A 40 10.304 -8.312 2.537 1.00 0.00 C ATOM 609 O VAL A 40 10.749 -7.363 1.891 1.00 0.00 O ATOM 610 CB VAL A 40 8.123 -8.338 1.324 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.134 -6.876 0.905 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.806 -9.206 0.278 1.00 0.00 C ATOM 0 H VAL A 40 8.052 -6.658 3.323 1.00 0.00 H new ATOM 0 HA VAL A 40 8.609 -9.522 3.062 1.00 0.00 H new ATOM 0 HB VAL A 40 7.085 -8.659 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.651 -6.772 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.596 -6.282 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.164 -6.525 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.314 -9.070 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.854 -8.918 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.740 -10.253 0.574 1.00 0.00 H new ATOM 622 N ASP A 41 11.081 -9.211 3.130 1.00 0.00 N ATOM 623 CA ASP A 41 12.535 -9.134 3.054 1.00 0.00 C ATOM 624 C ASP A 41 13.077 -10.107 2.012 1.00 0.00 C ATOM 625 O ASP A 41 13.529 -11.202 2.346 1.00 0.00 O ATOM 626 CB ASP A 41 13.156 -9.432 4.420 1.00 0.00 C ATOM 627 CG ASP A 41 14.596 -8.968 4.515 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.396 -9.331 3.627 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.924 -8.243 5.478 1.00 0.00 O ATOM 0 H ASP A 41 10.728 -10.002 3.669 1.00 0.00 H new ATOM 0 HA ASP A 41 12.805 -8.121 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.568 -8.944 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.109 -10.504 4.611 1.00 0.00 H new ATOM 634 N ALA A 42 13.028 -9.700 0.747 1.00 0.00 N ATOM 635 CA ALA A 42 13.514 -10.536 -0.343 1.00 0.00 C ATOM 636 C ALA A 42 14.813 -11.237 0.040 1.00 0.00 C ATOM 637 O ALA A 42 14.848 -12.457 0.192 1.00 0.00 O ATOM 638 CB ALA A 42 13.713 -9.701 -1.600 1.00 0.00 C ATOM 0 H ALA A 42 12.657 -8.797 0.453 1.00 0.00 H new ATOM 0 HA ALA A 42 12.764 -11.301 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.076 -10.338 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.764 -9.252 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.441 -8.915 -1.403 1.00 0.00 H new ATOM 751 N TYR A 50 11.844 -10.784 -7.154 1.00 0.00 N ATOM 752 CA TYR A 50 11.078 -9.748 -6.470 1.00 0.00 C ATOM 753 C TYR A 50 11.624 -8.362 -6.798 1.00 0.00 C ATOM 754 O TYR A 50 10.890 -7.485 -7.256 1.00 0.00 O ATOM 755 CB TYR A 50 11.109 -9.976 -4.958 1.00 0.00 C ATOM 756 CG TYR A 50 10.145 -9.097 -4.193 1.00 0.00 C ATOM 757 CD1 TYR A 50 8.803 -9.032 -4.548 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.577 -8.332 -3.118 1.00 0.00 C ATOM 759 CE1 TYR A 50 7.919 -8.230 -3.852 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.699 -7.528 -2.416 1.00 0.00 C ATOM 761 CZ TYR A 50 8.372 -7.481 -2.787 1.00 0.00 C ATOM 762 OH TYR A 50 7.495 -6.680 -2.091 1.00 0.00 O ATOM 0 HA TYR A 50 10.047 -9.804 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.877 -11.021 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.120 -9.796 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.445 -9.618 -5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.616 -8.366 -2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.879 -8.190 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.051 -6.940 -1.581 1.00 0.00 H new ATOM 0 HH TYR A 50 6.598 -7.074 -2.121 1.00 0.00 H new ATOM 772 N HIS A 51 12.918 -8.171 -6.562 1.00 0.00 N ATOM 773 CA HIS A 51 13.564 -6.891 -6.832 1.00 0.00 C ATOM 774 C HIS A 51 13.626 -6.621 -8.333 1.00 0.00 C ATOM 775 O HIS A 51 13.527 -5.475 -8.771 1.00 0.00 O ATOM 776 CB HIS A 51 14.974 -6.873 -6.241 1.00 0.00 C ATOM 777 CG HIS A 51 15.023 -6.379 -4.827 1.00 0.00 C ATOM 778 ND1 HIS A 51 14.271 -5.317 -4.374 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.741 -6.811 -3.764 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.524 -5.115 -3.094 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.413 -6.008 -2.699 1.00 0.00 N ATOM 0 H HIS A 51 13.540 -8.886 -6.184 1.00 0.00 H new ATOM 0 HA HIS A 51 12.971 -6.106 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.389 -7.880 -6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.611 -6.242 -6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.441 -7.633 -3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.079 -4.350 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.794 -6.088 -1.756 1.00 0.00 H new ATOM 789 N ASP A 52 13.790 -7.683 -9.114 1.00 0.00 N ATOM 790 CA ASP A 52 13.864 -7.560 -10.565 1.00 0.00 C ATOM 791 C ASP A 52 12.601 -6.910 -11.121 1.00 0.00 C ATOM 792 O ASP A 52 12.668 -5.897 -11.818 1.00 0.00 O ATOM 793 CB ASP A 52 14.069 -8.934 -11.205 1.00 0.00 C ATOM 794 CG ASP A 52 15.476 -9.462 -11.003 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.077 -9.161 -9.951 1.00 0.00 O ATOM 796 OD2 ASP A 52 15.976 -10.177 -11.897 1.00 0.00 O ATOM 0 H ASP A 52 13.874 -8.638 -8.767 1.00 0.00 H new ATOM 0 HA ASP A 52 14.715 -6.924 -10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.355 -9.640 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.858 -8.870 -12.272 1.00 0.00 H new ATOM 801 N ILE A 53 11.452 -7.499 -10.809 1.00 0.00 N ATOM 802 CA ILE A 53 10.174 -6.978 -11.278 1.00 0.00 C ATOM 803 C ILE A 53 9.780 -5.720 -10.511 1.00 0.00 C ATOM 804 O ILE A 53 9.672 -4.637 -11.089 1.00 0.00 O ATOM 805 CB ILE A 53 9.053 -8.024 -11.137 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.382 -9.271 -11.960 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.720 -7.433 -11.571 1.00 0.00 C ATOM 808 CD1 ILE A 53 8.797 -10.543 -11.389 1.00 0.00 C ATOM 0 H ILE A 53 11.380 -8.338 -10.233 1.00 0.00 H new ATOM 0 HA ILE A 53 10.300 -6.734 -12.333 1.00 0.00 H new ATOM 0 HB ILE A 53 8.976 -8.314 -10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.011 -9.134 -12.976 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.465 -9.377 -12.027 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.937 -8.184 -11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.483 -6.572 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.783 -7.119 -12.613 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.070 -11.386 -12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.187 -10.704 -10.384 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.711 -10.457 -11.347 1.00 0.00 H new ATOM 820 N ILE A 54 9.567 -5.870 -9.208 1.00 0.00 N ATOM 821 CA ILE A 54 9.188 -4.745 -8.362 1.00 0.00 C ATOM 822 C ILE A 54 10.402 -3.897 -7.998 1.00 0.00 C ATOM 823 O ILE A 54 11.309 -4.357 -7.304 1.00 0.00 O ATOM 824 CB ILE A 54 8.501 -5.220 -7.069 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.297 -6.104 -7.400 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.074 -4.027 -6.227 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.388 -5.516 -8.456 1.00 0.00 C ATOM 0 H ILE A 54 9.650 -6.759 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 54 8.485 -4.141 -8.936 1.00 0.00 H new ATOM 0 HB ILE A 54 9.213 -5.810 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.653 -7.077 -7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.721 -6.275 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.590 -4.379 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.950 -3.434 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.376 -3.412 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.556 -6.196 -8.640 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.003 -4.557 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.949 -5.371 -9.379 1.00 0.00 H new ATOM 839 N LYS A 55 10.412 -2.655 -8.470 1.00 0.00 N ATOM 840 CA LYS A 55 11.513 -1.740 -8.192 1.00 0.00 C ATOM 841 C LYS A 55 11.257 -0.955 -6.909 1.00 0.00 C ATOM 842 O LYS A 55 12.168 -0.744 -6.107 1.00 0.00 O ATOM 843 CB LYS A 55 11.708 -0.774 -9.363 1.00 0.00 C ATOM 844 CG LYS A 55 11.980 -1.469 -10.686 1.00 0.00 C ATOM 845 CD LYS A 55 13.467 -1.704 -10.896 1.00 0.00 C ATOM 846 CE LYS A 55 14.181 -0.426 -11.306 1.00 0.00 C ATOM 847 NZ LYS A 55 15.656 -0.533 -11.126 1.00 0.00 N ATOM 0 H LYS A 55 9.670 -2.259 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 55 12.420 -2.331 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.817 -0.154 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.538 -0.105 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.453 -2.422 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.587 -0.864 -11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.909 -2.090 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.611 -2.465 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.958 -0.204 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.802 0.408 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.107 0.358 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.871 -0.720 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.021 -1.312 -11.710 1.00 0.00 H new ATOM 861 N HIS A 56 10.014 -0.526 -6.721 1.00 0.00 N ATOM 862 CA HIS A 56 9.638 0.234 -5.534 1.00 0.00 C ATOM 863 C HIS A 56 8.574 -0.506 -4.729 1.00 0.00 C ATOM 864 O HIS A 56 7.375 -0.261 -4.868 1.00 0.00 O ATOM 865 CB HIS A 56 9.125 1.619 -5.930 1.00 0.00 C ATOM 866 CG HIS A 56 8.450 1.648 -7.267 1.00 0.00 C ATOM 867 ND1 HIS A 56 7.661 0.735 -7.880 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 8.555 2.710 -8.140 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 7.305 1.258 -9.099 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 7.857 2.451 -9.231 1.00 0.00 N flip ATOM 0 H HIS A 56 9.249 -0.691 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 56 10.525 0.349 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.425 1.969 -5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.961 2.318 -5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.120 3.613 -7.960 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.676 0.773 -9.831 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.761 3.067 -10.038 1.00 0.00 H new ATOM 878 N PRO A 57 9.019 -1.433 -3.869 1.00 0.00 N ATOM 879 CA PRO A 57 8.121 -2.228 -3.026 1.00 0.00 C ATOM 880 C PRO A 57 7.460 -1.392 -1.935 1.00 0.00 C ATOM 881 O PRO A 57 8.128 -0.639 -1.227 1.00 0.00 O ATOM 882 CB PRO A 57 9.049 -3.276 -2.408 1.00 0.00 C ATOM 883 CG PRO A 57 10.398 -2.644 -2.425 1.00 0.00 C ATOM 884 CD PRO A 57 10.435 -1.777 -3.653 1.00 0.00 C ATOM 0 HA PRO A 57 7.296 -2.654 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.742 -3.527 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.038 -4.202 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.563 -2.052 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.183 -3.400 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.046 -0.888 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.855 -2.308 -4.507 1.00 0.00 H new ATOM 892 N MET A 58 6.145 -1.530 -1.806 1.00 0.00 N ATOM 893 CA MET A 58 5.394 -0.789 -0.799 1.00 0.00 C ATOM 894 C MET A 58 4.620 -1.738 0.111 1.00 0.00 C ATOM 895 O MET A 58 4.434 -2.910 -0.215 1.00 0.00 O ATOM 896 CB MET A 58 4.431 0.192 -1.470 1.00 0.00 C ATOM 897 CG MET A 58 3.768 1.154 -0.497 1.00 0.00 C ATOM 898 SD MET A 58 4.956 1.998 0.565 1.00 0.00 S ATOM 899 CE MET A 58 5.873 2.950 -0.644 1.00 0.00 C ATOM 0 H MET A 58 5.577 -2.148 -2.386 1.00 0.00 H new ATOM 0 HA MET A 58 6.105 -0.230 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.974 0.765 -2.222 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.659 -0.371 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.197 1.895 -1.057 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.058 0.606 0.123 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.443 3.729 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.555 2.293 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.179 3.409 -1.348 1.00 0.00 H new ATOM 909 N ASP A 59 4.172 -1.223 1.251 1.00 0.00 N ATOM 910 CA ASP A 59 3.418 -2.025 2.207 1.00 0.00 C ATOM 911 C ASP A 59 2.668 -1.133 3.192 1.00 0.00 C ATOM 912 O ASP A 59 3.036 0.023 3.403 1.00 0.00 O ATOM 913 CB ASP A 59 4.353 -2.968 2.964 1.00 0.00 C ATOM 914 CG ASP A 59 5.121 -3.890 2.037 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.202 -3.486 1.562 1.00 0.00 O ATOM 916 OD2 ASP A 59 4.640 -5.015 1.787 1.00 0.00 O ATOM 0 H ASP A 59 4.318 -0.254 1.535 1.00 0.00 H new ATOM 0 HA ASP A 59 2.690 -2.617 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.058 -2.381 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.771 -3.566 3.666 1.00 0.00 H new ATOM 921 N LEU A 60 1.614 -1.677 3.790 1.00 0.00 N ATOM 922 CA LEU A 60 0.811 -0.931 4.753 1.00 0.00 C ATOM 923 C LEU A 60 1.687 -0.348 5.857 1.00 0.00 C ATOM 924 O LEU A 60 1.584 0.834 6.186 1.00 0.00 O ATOM 925 CB LEU A 60 -0.262 -1.835 5.361 1.00 0.00 C ATOM 926 CG LEU A 60 -1.461 -2.150 4.465 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.264 -3.309 5.036 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.341 -0.920 4.299 1.00 0.00 C ATOM 0 H LEU A 60 1.295 -2.632 3.625 1.00 0.00 H new ATOM 0 HA LEU A 60 0.328 -0.108 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.206 -2.776 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.629 -1.366 6.274 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.089 -2.441 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.113 -3.519 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.630 -4.193 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.625 -3.046 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.189 -1.163 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.704 -0.598 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.761 -0.117 3.844 1.00 0.00 H new ATOM 940 N SER A 61 2.550 -1.185 6.425 1.00 0.00 N ATOM 941 CA SER A 61 3.443 -0.753 7.494 1.00 0.00 C ATOM 942 C SER A 61 4.101 0.579 7.147 1.00 0.00 C ATOM 943 O SER A 61 4.224 1.464 7.995 1.00 0.00 O ATOM 944 CB SER A 61 4.515 -1.813 7.750 1.00 0.00 C ATOM 945 OG SER A 61 5.159 -1.597 8.994 1.00 0.00 O ATOM 0 H SER A 61 2.650 -2.166 6.163 1.00 0.00 H new ATOM 0 HA SER A 61 2.850 -0.620 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.061 -2.804 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.252 -1.791 6.947 1.00 0.00 H new ATOM 0 HG SER A 61 5.839 -2.289 9.135 1.00 0.00 H new ATOM 951 N THR A 62 4.522 0.715 5.893 1.00 0.00 N ATOM 952 CA THR A 62 5.168 1.938 5.433 1.00 0.00 C ATOM 953 C THR A 62 4.188 3.105 5.416 1.00 0.00 C ATOM 954 O THR A 62 4.541 4.230 5.771 1.00 0.00 O ATOM 955 CB THR A 62 5.764 1.762 4.023 1.00 0.00 C ATOM 956 OG1 THR A 62 6.732 0.706 4.029 1.00 0.00 O ATOM 957 CG2 THR A 62 6.415 3.051 3.546 1.00 0.00 C ATOM 0 H THR A 62 4.427 -0.007 5.178 1.00 0.00 H new ATOM 0 HA THR A 62 5.973 2.154 6.136 1.00 0.00 H new ATOM 0 HB THR A 62 4.954 1.508 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.105 0.599 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.829 2.902 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.669 3.845 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.214 3.330 4.232 1.00 0.00 H new ATOM 965 N VAL A 63 2.955 2.831 5.002 1.00 0.00 N ATOM 966 CA VAL A 63 1.923 3.859 4.941 1.00 0.00 C ATOM 967 C VAL A 63 1.634 4.430 6.324 1.00 0.00 C ATOM 968 O VAL A 63 1.687 5.643 6.531 1.00 0.00 O ATOM 969 CB VAL A 63 0.616 3.307 4.342 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.466 4.376 4.344 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.855 2.781 2.935 1.00 0.00 C ATOM 0 H VAL A 63 2.647 1.906 4.704 1.00 0.00 H new ATOM 0 HA VAL A 63 2.303 4.651 4.296 1.00 0.00 H new ATOM 0 HB VAL A 63 0.275 2.478 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.382 3.967 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.656 4.700 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.137 5.228 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.079 2.395 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.221 3.589 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.595 1.981 2.966 1.00 0.00 H new ATOM 981 N LYS A 64 1.329 3.549 7.270 1.00 0.00 N ATOM 982 CA LYS A 64 1.032 3.964 8.636 1.00 0.00 C ATOM 983 C LYS A 64 2.226 4.682 9.258 1.00 0.00 C ATOM 984 O LYS A 64 2.070 5.707 9.921 1.00 0.00 O ATOM 985 CB LYS A 64 0.653 2.751 9.489 1.00 0.00 C ATOM 986 CG LYS A 64 0.384 3.091 10.945 1.00 0.00 C ATOM 987 CD LYS A 64 -0.989 3.716 11.127 1.00 0.00 C ATOM 988 CE LYS A 64 -1.175 4.250 12.539 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.710 5.660 12.665 1.00 0.00 N ATOM 0 H LYS A 64 1.281 2.542 7.116 1.00 0.00 H new ATOM 0 HA LYS A 64 0.190 4.655 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.234 2.282 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.457 2.017 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.456 2.187 11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.149 3.779 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.119 4.527 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.759 2.975 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.228 4.189 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.625 3.622 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.263 5.796 13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.019 5.866 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.522 6.303 12.574 1.00 0.00 H new ATOM 1003 N ARG A 65 3.418 4.137 9.038 1.00 0.00 N ATOM 1004 CA ARG A 65 4.639 4.726 9.577 1.00 0.00 C ATOM 1005 C ARG A 65 4.864 6.124 9.010 1.00 0.00 C ATOM 1006 O ARG A 65 5.413 6.998 9.681 1.00 0.00 O ATOM 1007 CB ARG A 65 5.842 3.836 9.261 1.00 0.00 C ATOM 1008 CG ARG A 65 5.831 2.510 10.005 1.00 0.00 C ATOM 1009 CD ARG A 65 6.461 2.639 11.383 1.00 0.00 C ATOM 1010 NE ARG A 65 6.238 1.449 12.200 1.00 0.00 N ATOM 1011 CZ ARG A 65 6.987 1.126 13.248 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.002 1.901 13.605 1.00 0.00 N ATOM 1013 NH2 ARG A 65 6.722 0.027 13.942 1.00 0.00 N ATOM 0 H ARG A 65 3.565 3.289 8.491 1.00 0.00 H new ATOM 0 HA ARG A 65 4.528 4.805 10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.867 3.641 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.757 4.374 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.805 2.156 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.372 1.762 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.532 2.811 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.047 3.510 11.891 1.00 0.00 H new ATOM 0 HE ARG A 65 5.464 0.832 11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.209 2.747 13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.576 1.651 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.942 -0.572 13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.298 -0.219 14.747 1.00 0.00 H new ATOM 1027 N LYS A 66 4.436 6.329 7.768 1.00 0.00 N ATOM 1028 CA LYS A 66 4.590 7.621 7.109 1.00 0.00 C ATOM 1029 C LYS A 66 3.516 8.599 7.573 1.00 0.00 C ATOM 1030 O LYS A 66 3.807 9.755 7.879 1.00 0.00 O ATOM 1031 CB LYS A 66 4.520 7.453 5.590 1.00 0.00 C ATOM 1032 CG LYS A 66 5.803 6.919 4.977 1.00 0.00 C ATOM 1033 CD LYS A 66 5.763 6.980 3.459 1.00 0.00 C ATOM 1034 CE LYS A 66 6.161 8.356 2.946 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.628 8.459 2.717 1.00 0.00 N ATOM 0 H LYS A 66 3.980 5.617 7.198 1.00 0.00 H new ATOM 0 HA LYS A 66 5.566 8.025 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.701 6.776 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.284 8.416 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.651 7.498 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.959 5.889 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.435 6.228 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.759 6.737 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.633 8.563 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.851 9.115 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.859 9.411 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.132 8.286 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.920 7.752 2.013 1.00 0.00 H new ATOM 1049 N MET A 67 2.275 8.128 7.625 1.00 0.00 N ATOM 1050 CA MET A 67 1.158 8.962 8.054 1.00 0.00 C ATOM 1051 C MET A 67 1.325 9.385 9.510 1.00 0.00 C ATOM 1052 O MET A 67 0.968 10.502 9.886 1.00 0.00 O ATOM 1053 CB MET A 67 -0.164 8.212 7.877 1.00 0.00 C ATOM 1054 CG MET A 67 -1.384 9.032 8.264 1.00 0.00 C ATOM 1055 SD MET A 67 -1.489 10.590 7.362 1.00 0.00 S ATOM 1056 CE MET A 67 -2.708 10.177 6.116 1.00 0.00 C ATOM 0 H MET A 67 2.017 7.173 7.375 1.00 0.00 H new ATOM 0 HA MET A 67 1.145 9.857 7.432 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.260 7.902 6.836 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.141 7.304 8.479 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.284 8.447 8.077 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.354 9.238 9.334 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.250 10.227 5.128 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.081 9.168 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.536 10.884 6.168 1.00 0.00 H new ATOM 1066 N ASP A 68 1.868 8.487 10.325 1.00 0.00 N ATOM 1067 CA ASP A 68 2.082 8.768 11.739 1.00 0.00 C ATOM 1068 C ASP A 68 3.034 9.947 11.921 1.00 0.00 C ATOM 1069 O ASP A 68 2.779 10.845 12.722 1.00 0.00 O ATOM 1070 CB ASP A 68 2.639 7.533 12.448 1.00 0.00 C ATOM 1071 CG ASP A 68 2.977 7.802 13.901 1.00 0.00 C ATOM 1072 OD1 ASP A 68 2.166 8.460 14.587 1.00 0.00 O ATOM 1073 OD2 ASP A 68 4.051 7.354 14.353 1.00 0.00 O ATOM 0 H ASP A 68 2.168 7.558 10.030 1.00 0.00 H new ATOM 0 HA ASP A 68 1.121 9.029 12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.909 6.725 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.534 7.191 11.927 1.00 0.00 H new ATOM 1078 N GLY A 69 4.132 9.935 11.172 1.00 0.00 N ATOM 1079 CA GLY A 69 5.106 11.007 11.266 1.00 0.00 C ATOM 1080 C GLY A 69 4.718 12.217 10.440 1.00 0.00 C ATOM 1081 O GLY A 69 5.492 13.166 10.316 1.00 0.00 O ATOM 0 H GLY A 69 4.365 9.202 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.216 11.303 12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.078 10.641 10.934 1.00 0.00 H new ATOM 1085 N ARG A 70 3.516 12.183 9.872 1.00 0.00 N ATOM 1086 CA ARG A 70 3.028 13.284 9.051 1.00 0.00 C ATOM 1087 C ARG A 70 3.964 13.540 7.873 1.00 0.00 C ATOM 1088 O ARG A 70 4.169 14.684 7.468 1.00 0.00 O ATOM 1089 CB ARG A 70 2.892 14.555 9.893 1.00 0.00 C ATOM 1090 CG ARG A 70 2.305 14.311 11.273 1.00 0.00 C ATOM 1091 CD ARG A 70 0.948 13.629 11.188 1.00 0.00 C ATOM 1092 NE ARG A 70 0.435 13.266 12.507 1.00 0.00 N ATOM 1093 CZ ARG A 70 0.018 14.153 13.403 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.053 15.449 13.124 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -0.436 13.745 14.581 1.00 0.00 N ATOM 0 H ARG A 70 2.863 11.405 9.966 1.00 0.00 H new ATOM 0 HA ARG A 70 2.048 13.007 8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.874 15.016 10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.262 15.268 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.988 13.693 11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.204 15.260 11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.239 14.293 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.030 12.734 10.572 1.00 0.00 H new ATOM 0 HE ARG A 70 0.395 12.277 12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.401 15.767 12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.268 16.128 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.465 12.749 14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.756 14.427 15.268 1.00 0.00 H new ATOM 1109 N GLU A 71 4.527 12.466 7.328 1.00 0.00 N ATOM 1110 CA GLU A 71 5.442 12.575 6.197 1.00 0.00 C ATOM 1111 C GLU A 71 4.690 12.957 4.925 1.00 0.00 C ATOM 1112 O GLU A 71 5.210 13.685 4.079 1.00 0.00 O ATOM 1113 CB GLU A 71 6.187 11.256 5.986 1.00 0.00 C ATOM 1114 CG GLU A 71 7.328 11.038 6.966 1.00 0.00 C ATOM 1115 CD GLU A 71 8.654 11.554 6.442 1.00 0.00 C ATOM 1116 OE1 GLU A 71 9.296 10.837 5.646 1.00 0.00 O ATOM 1117 OE2 GLU A 71 9.049 12.674 6.828 1.00 0.00 O ATOM 0 H GLU A 71 4.366 11.512 7.651 1.00 0.00 H new ATOM 0 HA GLU A 71 6.165 13.359 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.480 10.431 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.582 11.230 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.094 11.537 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.417 9.974 7.183 1.00 0.00 H new ATOM 1124 N TYR A 72 3.466 12.460 4.797 1.00 0.00 N ATOM 1125 CA TYR A 72 2.643 12.745 3.627 1.00 0.00 C ATOM 1126 C TYR A 72 2.252 14.219 3.582 1.00 0.00 C ATOM 1127 O TYR A 72 1.649 14.757 4.512 1.00 0.00 O ATOM 1128 CB TYR A 72 1.387 11.873 3.636 1.00 0.00 C ATOM 1129 CG TYR A 72 1.668 10.403 3.420 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.415 9.972 2.330 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.187 9.446 4.305 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.674 8.630 2.129 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.442 8.102 4.112 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.186 7.699 3.022 1.00 0.00 C ATOM 1135 OH TYR A 72 2.442 6.361 2.826 1.00 0.00 O ATOM 0 H TYR A 72 3.021 11.857 5.489 1.00 0.00 H new ATOM 0 HA TYR A 72 3.230 12.516 2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.874 12.000 4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.707 12.222 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.799 10.698 1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.604 9.758 5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.256 8.311 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.061 7.371 4.810 1.00 0.00 H new ATOM 0 HH TYR A 72 1.614 5.903 2.572 1.00 0.00 H new ATOM 1145 N PRO A 73 2.603 14.890 2.475 1.00 0.00 N ATOM 1146 CA PRO A 73 2.299 16.311 2.280 1.00 0.00 C ATOM 1147 C PRO A 73 0.809 16.562 2.079 1.00 0.00 C ATOM 1148 O PRO A 73 0.254 17.524 2.611 1.00 0.00 O ATOM 1149 CB PRO A 73 3.078 16.670 1.013 1.00 0.00 C ATOM 1150 CG PRO A 73 3.217 15.382 0.276 1.00 0.00 C ATOM 1151 CD PRO A 73 3.324 14.313 1.328 1.00 0.00 C ATOM 0 HA PRO A 73 2.573 16.910 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.545 17.411 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.052 17.095 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.357 15.208 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.100 15.391 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.872 13.378 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.363 14.095 1.575 1.00 0.00 H new ATOM 1159 N ASP A 74 0.166 15.692 1.308 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.261 15.819 1.037 1.00 0.00 C ATOM 1161 C ASP A 74 -1.883 14.456 0.748 1.00 0.00 C ATOM 1162 O ASP A 74 -1.192 13.438 0.735 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.496 16.761 -0.145 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.534 16.506 -1.289 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.296 15.323 -1.611 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.021 17.489 -1.862 1.00 0.00 O ATOM 0 H ASP A 74 0.611 14.891 0.860 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.738 16.236 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.519 16.643 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.392 17.793 0.190 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.192 14.445 0.519 1.00 0.00 N ATOM 1172 CA ALA A 75 -3.907 13.208 0.230 1.00 0.00 C ATOM 1173 C ALA A 75 -3.206 12.413 -0.867 1.00 0.00 C ATOM 1174 O ALA A 75 -3.057 11.196 -0.764 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.344 13.509 -0.170 1.00 0.00 C ATOM 0 H ALA A 75 -3.779 15.279 0.528 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.914 12.601 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.866 12.576 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.848 14.028 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.350 14.139 -1.060 1.00 0.00 H new ATOM 1181 N GLN A 76 -2.780 13.109 -1.916 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.096 12.467 -3.032 1.00 0.00 C ATOM 1183 C GLN A 76 -0.926 11.621 -2.540 1.00 0.00 C ATOM 1184 O GLN A 76 -0.738 10.487 -2.979 1.00 0.00 O ATOM 1185 CB GLN A 76 -1.599 13.517 -4.026 1.00 0.00 C ATOM 1186 CG GLN A 76 -2.707 14.386 -4.599 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.680 13.600 -5.457 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.292 12.664 -6.157 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -4.952 13.978 -5.407 1.00 0.00 N ATOM 0 H GLN A 76 -2.896 14.117 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.809 11.812 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.867 14.156 -3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.083 13.015 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.250 14.861 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.266 15.185 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.229 14.759 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.652 13.487 -5.963 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.141 12.181 -1.625 1.00 0.00 N ATOM 1199 CA GLY A 77 1.001 11.465 -1.088 1.00 0.00 C ATOM 1200 C GLY A 77 0.606 10.169 -0.408 1.00 0.00 C ATOM 1201 O GLY A 77 1.226 9.129 -0.630 1.00 0.00 O ATOM 0 H GLY A 77 -0.276 13.118 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.702 11.250 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.522 12.102 -0.374 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.429 10.231 0.423 1.00 0.00 N ATOM 1206 CA PHE A 78 -0.905 9.054 1.141 1.00 0.00 C ATOM 1207 C PHE A 78 -1.375 7.977 0.167 1.00 0.00 C ATOM 1208 O PHE A 78 -0.852 6.863 0.158 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.045 9.434 2.088 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.848 8.256 2.562 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.406 7.482 3.623 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.044 7.924 1.948 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.142 6.397 4.061 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.785 6.841 2.381 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.334 6.077 3.440 1.00 0.00 C ATOM 0 H PHE A 78 -0.954 11.084 0.616 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.076 8.655 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.631 9.953 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.708 10.136 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.476 7.729 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.402 8.519 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.786 5.800 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.715 6.592 1.892 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.912 5.231 3.782 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.365 8.318 -0.650 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.905 7.383 -1.629 1.00 0.00 C ATOM 1227 C ALA A 79 -1.803 6.825 -2.522 1.00 0.00 C ATOM 1228 O ALA A 79 -1.801 5.640 -2.855 1.00 0.00 O ATOM 1229 CB ALA A 79 -3.977 8.059 -2.471 1.00 0.00 C ATOM 0 H ALA A 79 -2.810 9.236 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.355 6.550 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.371 7.348 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.785 8.402 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.544 8.911 -2.995 1.00 0.00 H new ATOM 1235 N ALA A 80 -0.866 7.686 -2.907 1.00 0.00 N ATOM 1236 CA ALA A 80 0.242 7.278 -3.760 1.00 0.00 C ATOM 1237 C ALA A 80 0.741 5.886 -3.385 1.00 0.00 C ATOM 1238 O ALA A 80 0.673 4.955 -4.188 1.00 0.00 O ATOM 1239 CB ALA A 80 1.377 8.288 -3.671 1.00 0.00 C ATOM 0 H ALA A 80 -0.853 8.671 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.119 7.242 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.198 7.970 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.020 9.266 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.727 8.353 -2.641 1.00 0.00 H new ATOM 1245 N ASP A 81 1.241 5.752 -2.162 1.00 0.00 N ATOM 1246 CA ASP A 81 1.751 4.473 -1.681 1.00 0.00 C ATOM 1247 C ASP A 81 0.686 3.387 -1.793 1.00 0.00 C ATOM 1248 O ASP A 81 0.878 2.383 -2.479 1.00 0.00 O ATOM 1249 CB ASP A 81 2.217 4.599 -0.230 1.00 0.00 C ATOM 1250 CG ASP A 81 3.512 5.378 -0.103 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.751 6.272 -0.941 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.288 5.092 0.833 1.00 0.00 O ATOM 0 H ASP A 81 1.304 6.513 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 81 2.600 4.191 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.441 5.092 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.352 3.604 0.193 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.438 3.594 -1.114 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.534 2.633 -1.138 1.00 0.00 C ATOM 1259 C VAL A 82 -1.729 2.056 -2.535 1.00 0.00 C ATOM 1260 O VAL A 82 -1.721 0.839 -2.722 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.854 3.275 -0.671 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -4.008 2.297 -0.826 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.735 3.748 0.770 1.00 0.00 C ATOM 0 H VAL A 82 -0.613 4.419 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.266 1.830 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.058 4.142 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.932 2.768 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.105 2.012 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.815 1.409 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.676 4.199 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.507 2.899 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.936 4.486 0.846 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.904 2.938 -3.514 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.102 2.516 -4.896 1.00 0.00 C ATOM 1275 C ARG A 83 -0.855 1.823 -5.437 1.00 0.00 C ATOM 1276 O ARG A 83 -0.947 0.866 -6.207 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.452 3.719 -5.774 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.741 4.414 -5.368 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.903 5.748 -6.080 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.161 6.816 -5.416 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.067 8.052 -5.894 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -3.665 8.374 -7.032 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -2.373 8.970 -5.231 1.00 0.00 N ATOM 0 H ARG A 83 -1.913 3.949 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.929 1.806 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.633 4.438 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.537 3.390 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.591 3.771 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.746 4.573 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.559 5.653 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.960 6.012 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.689 6.601 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.199 7.672 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.591 9.324 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.912 8.726 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.301 9.919 -5.598 1.00 0.00 H new ATOM 1297 N LEU A 84 0.311 2.314 -5.030 1.00 0.00 N ATOM 1298 CA LEU A 84 1.578 1.743 -5.474 1.00 0.00 C ATOM 1299 C LEU A 84 1.678 0.271 -5.086 1.00 0.00 C ATOM 1300 O LEU A 84 1.931 -0.588 -5.930 1.00 0.00 O ATOM 1301 CB LEU A 84 2.749 2.521 -4.873 1.00 0.00 C ATOM 1302 CG LEU A 84 4.147 2.035 -5.258 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.413 0.657 -4.673 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.305 2.013 -6.772 1.00 0.00 C ATOM 0 H LEU A 84 0.405 3.106 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 84 1.620 1.817 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.655 3.566 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.661 2.489 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 84 4.879 2.730 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.412 0.328 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.342 0.703 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.676 -0.049 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.306 1.665 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.565 1.341 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.158 3.018 -7.168 1.00 0.00 H new ATOM 1316 N MET A 85 1.475 -0.012 -3.803 1.00 0.00 N ATOM 1317 CA MET A 85 1.539 -1.381 -3.304 1.00 0.00 C ATOM 1318 C MET A 85 0.646 -2.303 -4.128 1.00 0.00 C ATOM 1319 O MET A 85 1.116 -3.280 -4.711 1.00 0.00 O ATOM 1320 CB MET A 85 1.123 -1.429 -1.832 1.00 0.00 C ATOM 1321 CG MET A 85 0.942 -2.841 -1.298 1.00 0.00 C ATOM 1322 SD MET A 85 -0.135 -2.905 0.146 1.00 0.00 S ATOM 1323 CE MET A 85 -1.568 -2.016 -0.460 1.00 0.00 C ATOM 0 H MET A 85 1.265 0.688 -3.091 1.00 0.00 H new ATOM 0 HA MET A 85 2.569 -1.727 -3.395 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.876 -0.916 -1.233 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.189 -0.880 -1.709 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.527 -3.472 -2.084 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.916 -3.255 -1.038 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.467 -2.406 0.018 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.464 -0.956 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.646 -2.145 -1.540 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.644 -1.986 -4.171 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.603 -2.787 -4.923 1.00 0.00 C ATOM 1335 C PHE A 86 -1.081 -3.086 -6.325 1.00 0.00 C ATOM 1336 O PHE A 86 -1.363 -4.141 -6.892 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.947 -2.062 -5.011 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.762 -2.154 -3.752 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.099 -3.387 -3.219 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.190 -1.008 -3.103 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.848 -3.476 -2.061 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.939 -1.090 -1.945 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.270 -2.326 -1.423 1.00 0.00 C ATOM 0 H PHE A 86 -1.049 -1.180 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.741 -3.732 -4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.770 -1.012 -5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.522 -2.479 -5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.773 -4.290 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.935 -0.039 -3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.103 -4.444 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.266 -0.189 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.857 -2.393 -0.519 1.00 0.00 H new ATOM 1353 N SER A 87 -0.319 -2.148 -6.879 1.00 0.00 N ATOM 1354 CA SER A 87 0.240 -2.308 -8.216 1.00 0.00 C ATOM 1355 C SER A 87 1.308 -3.397 -8.232 1.00 0.00 C ATOM 1356 O SER A 87 1.493 -4.085 -9.235 1.00 0.00 O ATOM 1357 CB SER A 87 0.836 -0.986 -8.705 1.00 0.00 C ATOM 1358 OG SER A 87 0.960 -0.974 -10.116 1.00 0.00 O ATOM 0 H SER A 87 -0.075 -1.269 -6.422 1.00 0.00 H new ATOM 0 HA SER A 87 -0.567 -2.605 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.203 -0.158 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.814 -0.834 -8.249 1.00 0.00 H new ATOM 0 HG SER A 87 1.342 -0.118 -10.404 1.00 0.00 H new ATOM 1364 N ASN A 88 2.009 -3.546 -7.113 1.00 0.00 N ATOM 1365 CA ASN A 88 3.060 -4.551 -6.997 1.00 0.00 C ATOM 1366 C ASN A 88 2.469 -5.957 -6.979 1.00 0.00 C ATOM 1367 O ASN A 88 2.862 -6.817 -7.767 1.00 0.00 O ATOM 1368 CB ASN A 88 3.882 -4.315 -5.728 1.00 0.00 C ATOM 1369 CG ASN A 88 4.805 -3.118 -5.852 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.332 -2.835 -6.928 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.003 -2.407 -4.747 1.00 0.00 N ATOM 0 H ASN A 88 1.869 -2.984 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 88 3.711 -4.461 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.208 -4.165 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.473 -5.205 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.613 -1.590 -4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.545 -2.679 -3.877 1.00 0.00 H new ATOM 1378 N CYS A 89 1.522 -6.183 -6.075 1.00 0.00 N ATOM 1379 CA CYS A 89 0.875 -7.485 -5.953 1.00 0.00 C ATOM 1380 C CYS A 89 0.198 -7.880 -7.262 1.00 0.00 C ATOM 1381 O CYS A 89 0.205 -9.049 -7.648 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.150 -7.465 -4.819 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.505 -6.294 -5.071 1.00 0.00 S ATOM 0 H CYS A 89 1.185 -5.482 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 89 1.642 -8.225 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.566 -8.466 -4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.359 -7.220 -3.887 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.158 -5.414 -5.963 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.388 -6.898 -7.938 1.00 0.00 N ATOM 1390 CA TYR A 90 -1.074 -7.144 -9.201 1.00 0.00 C ATOM 1391 C TYR A 90 -0.075 -7.441 -10.315 1.00 0.00 C ATOM 1392 O TYR A 90 -0.424 -8.031 -11.337 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.935 -5.938 -9.580 1.00 0.00 C ATOM 1394 CG TYR A 90 -3.149 -5.758 -8.697 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.937 -6.844 -8.336 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.508 -4.502 -8.223 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -5.047 -6.684 -7.530 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.616 -4.333 -7.415 1.00 0.00 C ATOM 1399 CZ TYR A 90 -5.382 -5.427 -7.072 1.00 0.00 C ATOM 1400 OH TYR A 90 -6.487 -5.264 -6.268 1.00 0.00 O ATOM 0 H TYR A 90 -0.402 -5.925 -7.633 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.717 -8.015 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.324 -5.037 -9.531 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.262 -6.046 -10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.677 -7.830 -8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.911 -3.643 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.649 -7.539 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.880 -3.350 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.801 -4.338 -6.328 1.00 0.00 H new ATOM 1410 N LYS A 91 1.171 -7.027 -10.109 1.00 0.00 N ATOM 1411 CA LYS A 91 2.224 -7.249 -11.093 1.00 0.00 C ATOM 1412 C LYS A 91 3.014 -8.513 -10.769 1.00 0.00 C ATOM 1413 O LYS A 91 2.886 -9.529 -11.452 1.00 0.00 O ATOM 1414 CB LYS A 91 3.166 -6.044 -11.142 1.00 0.00 C ATOM 1415 CG LYS A 91 4.156 -6.093 -12.292 1.00 0.00 C ATOM 1416 CD LYS A 91 5.461 -5.401 -11.935 1.00 0.00 C ATOM 1417 CE LYS A 91 5.379 -3.901 -12.173 1.00 0.00 C ATOM 1418 NZ LYS A 91 4.171 -3.304 -11.538 1.00 0.00 N ATOM 0 H LYS A 91 1.476 -6.536 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 91 1.755 -7.376 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.573 -5.133 -11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.716 -5.985 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.355 -7.131 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.719 -5.617 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.701 -5.592 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.272 -5.821 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.273 -3.421 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.361 -3.704 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.296 -2.275 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.336 -3.504 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.036 -3.716 -10.593 1.00 0.00 H new ATOM 1432 N TYR A 92 3.829 -8.443 -9.722 1.00 0.00 N ATOM 1433 CA TYR A 92 4.640 -9.582 -9.309 1.00 0.00 C ATOM 1434 C TYR A 92 3.833 -10.876 -9.367 1.00 0.00 C ATOM 1435 O TYR A 92 4.058 -11.722 -10.231 1.00 0.00 O ATOM 1436 CB TYR A 92 5.176 -9.365 -7.892 1.00 0.00 C ATOM 1437 CG TYR A 92 6.233 -10.367 -7.485 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.438 -10.452 -8.171 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.026 -11.229 -6.415 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.407 -11.365 -7.804 1.00 0.00 C ATOM 1441 CE2 TYR A 92 6.990 -12.145 -6.039 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.178 -12.209 -6.737 1.00 0.00 C ATOM 1443 OH TYR A 92 9.140 -13.121 -6.366 1.00 0.00 O ATOM 0 H TYR A 92 3.945 -7.610 -9.145 1.00 0.00 H new ATOM 0 HA TYR A 92 5.479 -9.668 -9.999 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.593 -8.360 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.347 -9.417 -7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.620 -9.792 -9.006 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.096 -11.182 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.338 -11.418 -8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.814 -12.807 -5.204 1.00 0.00 H new ATOM 0 HH TYR A 92 8.822 -13.637 -5.596 1.00 0.00 H new ATOM 1453 N ASN A 93 2.891 -11.020 -8.441 1.00 0.00 N ATOM 1454 CA ASN A 93 2.050 -12.210 -8.385 1.00 0.00 C ATOM 1455 C ASN A 93 1.234 -12.359 -9.666 1.00 0.00 C ATOM 1456 O ASN A 93 0.741 -11.385 -10.235 1.00 0.00 O ATOM 1457 CB ASN A 93 1.114 -12.142 -7.177 1.00 0.00 C ATOM 1458 CG ASN A 93 1.822 -11.667 -5.923 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.973 -12.027 -5.672 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.136 -10.853 -5.128 1.00 0.00 N ATOM 0 H ASN A 93 2.691 -10.328 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 93 2.700 -13.080 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.286 -11.470 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.685 -13.128 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.561 -10.500 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.185 -10.581 -5.375 1.00 0.00 H new ATOM 1467 N PRO A 94 1.087 -13.608 -10.132 1.00 0.00 N ATOM 1468 CA PRO A 94 0.331 -13.916 -11.350 1.00 0.00 C ATOM 1469 C PRO A 94 -1.168 -13.702 -11.171 1.00 0.00 C ATOM 1470 O PRO A 94 -1.666 -13.528 -10.058 1.00 0.00 O ATOM 1471 CB PRO A 94 0.635 -15.396 -11.592 1.00 0.00 C ATOM 1472 CG PRO A 94 0.973 -15.939 -10.246 1.00 0.00 C ATOM 1473 CD PRO A 94 1.648 -14.817 -9.505 1.00 0.00 C ATOM 0 HA PRO A 94 0.613 -13.268 -12.180 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.224 -15.911 -12.022 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.464 -15.521 -12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.076 -16.269 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.631 -16.804 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.432 -14.853 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.732 -14.859 -9.612 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.906 -13.714 -12.290 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.360 -13.524 -12.282 1.00 0.00 C ATOM 1483 C PRO A 95 -4.096 -14.709 -11.667 1.00 0.00 C ATOM 1484 O PRO A 95 -5.317 -14.681 -11.514 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.708 -13.390 -13.767 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.618 -14.115 -14.479 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.379 -13.915 -13.651 1.00 0.00 C ATOM 0 HA PRO A 95 -3.656 -12.664 -11.681 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.682 -13.826 -13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.752 -12.344 -14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.854 -15.174 -14.579 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.482 -13.723 -15.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.718 -14.780 -13.702 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.804 -13.054 -13.990 1.00 0.00 H new ATOM 1495 N ASP A 96 -3.346 -15.747 -11.315 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.928 -16.942 -10.714 1.00 0.00 C ATOM 1497 C ASP A 96 -3.745 -16.933 -9.200 1.00 0.00 C ATOM 1498 O ASP A 96 -4.555 -17.495 -8.463 1.00 0.00 O ATOM 1499 CB ASP A 96 -3.293 -18.199 -11.310 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.551 -18.329 -12.798 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -2.906 -17.597 -13.578 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -4.398 -19.162 -13.183 1.00 0.00 O ATOM 0 H ASP A 96 -2.334 -15.786 -11.435 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.996 -16.946 -10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.218 -18.179 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.685 -19.078 -10.798 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.674 -16.291 -8.742 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.385 -16.210 -7.315 1.00 0.00 C ATOM 1509 C HIS A 97 -3.624 -15.788 -6.532 1.00 0.00 C ATOM 1510 O HIS A 97 -4.153 -14.695 -6.731 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.246 -15.222 -7.060 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.518 -15.465 -5.774 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -1.099 -16.082 -4.686 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.751 -15.173 -5.406 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.219 -16.157 -3.704 1.00 0.00 C ATOM 1516 NE2 HIS A 97 0.913 -15.612 -4.115 1.00 0.00 N ATOM 0 H HIS A 97 -1.993 -15.820 -9.338 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.082 -17.200 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.536 -15.278 -7.886 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.649 -14.209 -7.054 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.498 -14.685 -6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.394 -16.590 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.767 -15.531 -3.563 1.00 0.00 H new ATOM 1524 N GLU A 98 -4.082 -16.663 -5.642 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.261 -16.381 -4.831 1.00 0.00 C ATOM 1526 C GLU A 98 -5.133 -15.027 -4.138 1.00 0.00 C ATOM 1527 O GLU A 98 -6.061 -14.218 -4.156 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.466 -17.482 -3.789 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.601 -17.317 -2.551 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.734 -18.480 -1.587 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.808 -18.615 -0.964 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.764 -19.255 -1.456 1.00 0.00 O ATOM 0 H GLU A 98 -3.655 -17.572 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.127 -16.351 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.514 -17.497 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.251 -18.448 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.558 -17.217 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.876 -16.394 -2.041 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.977 -14.788 -3.528 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.726 -13.533 -2.829 1.00 0.00 C ATOM 1541 C VAL A 99 -4.251 -12.345 -3.627 1.00 0.00 C ATOM 1542 O VAL A 99 -4.807 -11.402 -3.064 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.223 -13.332 -2.559 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.536 -12.737 -3.779 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -2.015 -12.450 -1.337 1.00 0.00 C ATOM 0 H VAL A 99 -3.199 -15.447 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.254 -13.590 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.774 -14.305 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.475 -12.602 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.656 -13.410 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.985 -11.772 -4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.947 -12.318 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.477 -11.478 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.471 -12.921 -0.466 1.00 0.00 H new ATOM 1555 N VAL A 100 -4.072 -12.398 -4.943 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.529 -11.327 -5.821 1.00 0.00 C ATOM 1557 C VAL A 100 -5.998 -11.002 -5.572 1.00 0.00 C ATOM 1558 O VAL A 100 -6.379 -9.836 -5.479 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.341 -11.697 -7.304 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -5.030 -10.680 -8.200 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.862 -11.802 -7.642 1.00 0.00 C ATOM 0 H VAL A 100 -3.614 -13.171 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.922 -10.451 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.801 -12.670 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.886 -10.958 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.096 -10.659 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.602 -9.693 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.747 -12.064 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.376 -10.845 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.401 -12.572 -7.024 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.818 -12.042 -5.464 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.245 -11.868 -5.224 1.00 0.00 C ATOM 1573 C ALA A 101 -8.496 -11.163 -3.895 1.00 0.00 C ATOM 1574 O ALA A 101 -9.480 -10.441 -3.741 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.954 -13.215 -5.251 1.00 0.00 C ATOM 0 H ALA A 101 -6.518 -13.014 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.648 -11.242 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.019 -13.069 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.812 -13.682 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.539 -13.860 -4.476 1.00 0.00 H new ATOM 1581 N MET A 102 -7.600 -11.379 -2.938 1.00 0.00 N ATOM 1582 CA MET A 102 -7.725 -10.764 -1.622 1.00 0.00 C ATOM 1583 C MET A 102 -7.346 -9.287 -1.674 1.00 0.00 C ATOM 1584 O MET A 102 -7.974 -8.452 -1.024 1.00 0.00 O ATOM 1585 CB MET A 102 -6.841 -11.493 -0.608 1.00 0.00 C ATOM 1586 CG MET A 102 -7.241 -12.943 -0.386 1.00 0.00 C ATOM 1587 SD MET A 102 -6.836 -13.530 1.271 1.00 0.00 S ATOM 1588 CE MET A 102 -5.110 -13.064 1.381 1.00 0.00 C ATOM 0 H MET A 102 -6.780 -11.975 -3.049 1.00 0.00 H new ATOM 0 HA MET A 102 -8.766 -10.844 -1.309 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.806 -11.458 -0.949 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.881 -10.964 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.313 -13.050 -0.553 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.739 -13.571 -1.122 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.520 -13.924 1.698 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.762 -12.725 0.405 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.996 -12.259 2.107 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.314 -8.973 -2.451 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.853 -7.597 -2.589 1.00 0.00 C ATOM 1600 C ALA A 103 -6.965 -6.695 -3.115 1.00 0.00 C ATOM 1601 O ALA A 103 -7.104 -5.550 -2.685 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.642 -7.536 -3.508 1.00 0.00 C ATOM 0 H ALA A 103 -5.782 -9.653 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.565 -7.236 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.308 -6.503 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.837 -8.141 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.912 -7.921 -4.491 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.754 -7.219 -4.048 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.852 -6.460 -4.634 1.00 0.00 C ATOM 1610 C ARG A 104 -9.894 -6.108 -3.576 1.00 0.00 C ATOM 1611 O ARG A 104 -10.240 -4.941 -3.393 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.505 -7.258 -5.764 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.627 -7.399 -6.996 1.00 0.00 C ATOM 1614 CD ARG A 104 -8.970 -8.654 -7.783 1.00 0.00 C ATOM 1615 NE ARG A 104 -8.652 -8.514 -9.202 1.00 0.00 N ATOM 1616 CZ ARG A 104 -9.232 -7.626 -10.001 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.155 -6.803 -9.523 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -8.889 -7.559 -11.281 1.00 0.00 N ATOM 0 H ARG A 104 -7.653 -8.166 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.445 -5.534 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.761 -8.251 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.439 -6.773 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.749 -6.523 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.580 -7.431 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.422 -9.501 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.031 -8.874 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.946 -9.132 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.421 -6.851 -8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.599 -6.122 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.179 -8.190 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.335 -6.876 -11.894 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.393 -7.126 -2.883 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.396 -6.926 -1.843 1.00 0.00 C ATOM 1634 C LYS A 105 -11.092 -5.673 -1.028 1.00 0.00 C ATOM 1635 O LYS A 105 -11.997 -4.915 -0.676 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.454 -8.146 -0.921 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.223 -9.317 -1.507 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.774 -10.637 -0.904 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.808 -11.731 -1.126 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.256 -13.083 -0.832 1.00 0.00 N ATOM 0 H LYS A 105 -10.119 -8.099 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.364 -6.797 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.438 -8.467 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.915 -7.856 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.289 -9.179 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.081 -9.343 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.825 -10.937 -1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.601 -10.510 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.674 -11.546 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.157 -11.697 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.991 -13.801 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.445 -13.270 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.947 -13.123 0.160 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.814 -5.461 -0.733 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.391 -4.298 0.039 1.00 0.00 C ATOM 1656 C LEU A 106 -9.485 -3.025 -0.797 1.00 0.00 C ATOM 1657 O LEU A 106 -9.974 -1.998 -0.327 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.958 -4.488 0.541 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.462 -3.461 1.560 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.337 -3.478 2.803 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -6.009 -3.730 1.924 1.00 0.00 C ATOM 0 H LEU A 106 -9.053 -6.079 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.059 -4.198 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.879 -5.480 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.288 -4.470 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.525 -2.470 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.969 -2.741 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.364 -3.236 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.306 -4.469 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.673 -2.990 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.921 -4.727 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.392 -3.666 1.028 1.00 0.00 H new ATOM 1673 N GLN A 107 -9.015 -3.103 -2.038 1.00 0.00 N ATOM 1674 CA GLN A 107 -9.048 -1.957 -2.939 1.00 0.00 C ATOM 1675 C GLN A 107 -10.473 -1.440 -3.110 1.00 0.00 C ATOM 1676 O GLN A 107 -10.691 -0.242 -3.293 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.464 -2.336 -4.301 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.049 -1.138 -5.140 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.595 -1.530 -6.532 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.324 -2.700 -6.803 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -7.508 -0.550 -7.424 1.00 0.00 N ATOM 0 H GLN A 107 -8.608 -3.946 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.443 -1.164 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.598 -2.980 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.201 -2.918 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.887 -0.445 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.242 -0.607 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.742 0.406 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.207 -0.753 -8.377 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.439 -2.350 -3.050 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.843 -1.985 -3.197 1.00 0.00 C ATOM 1692 C ASP A 108 -13.280 -1.044 -2.080 1.00 0.00 C ATOM 1693 O ASP A 108 -14.180 -0.224 -2.261 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.720 -3.238 -3.198 1.00 0.00 C ATOM 1695 CG ASP A 108 -15.022 -3.033 -3.946 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.986 -2.456 -5.052 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -16.078 -3.449 -3.424 1.00 0.00 O ATOM 0 H ASP A 108 -11.275 -3.346 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.961 -1.468 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.170 -4.063 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.937 -3.527 -2.170 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.638 -1.168 -0.923 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.960 -0.328 0.225 1.00 0.00 C ATOM 1704 C VAL A 109 -12.219 1.002 0.158 1.00 0.00 C ATOM 1705 O VAL A 109 -12.773 2.051 0.489 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.611 -1.031 1.550 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.165 -0.249 2.732 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.139 -2.458 1.551 1.00 0.00 C ATOM 0 H VAL A 109 -11.891 -1.842 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.034 -0.144 0.191 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.526 -1.069 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.908 -0.761 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.735 0.752 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.249 -0.178 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.883 -2.940 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.222 -2.445 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.690 -3.013 0.727 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.963 0.953 -0.273 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.144 2.155 -0.384 1.00 0.00 C ATOM 1720 C PHE A 110 -10.691 3.088 -1.460 1.00 0.00 C ATOM 1721 O PHE A 110 -10.739 4.303 -1.276 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.695 1.783 -0.703 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.788 2.972 -0.844 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.751 3.695 -2.025 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -6.972 3.365 0.205 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.918 4.790 -2.158 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.138 4.460 0.078 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.109 5.172 -1.105 1.00 0.00 C ATOM 0 H PHE A 110 -10.490 0.093 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.175 2.676 0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.312 1.136 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.671 1.206 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.380 3.400 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.988 2.810 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.900 5.346 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.509 4.759 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.455 6.026 -1.207 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.100 2.508 -2.585 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.642 3.288 -3.691 1.00 0.00 C ATOM 1740 C GLU A 111 -12.898 4.041 -3.263 1.00 0.00 C ATOM 1741 O GLU A 111 -12.934 5.271 -3.282 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.960 2.377 -4.879 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.727 1.903 -5.630 1.00 0.00 C ATOM 1744 CD GLU A 111 -11.004 0.693 -6.500 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.032 -0.433 -5.961 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -11.192 0.872 -7.722 1.00 0.00 O ATOM 0 H GLU A 111 -11.066 1.503 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.888 4.016 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.514 1.509 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.613 2.910 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.351 2.715 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.942 1.659 -4.915 1.00 0.00 H new ATOM 1753 N MET A 112 -13.927 3.293 -2.878 1.00 0.00 N ATOM 1754 CA MET A 112 -15.185 3.889 -2.444 1.00 0.00 C ATOM 1755 C MET A 112 -14.953 4.886 -1.313 1.00 0.00 C ATOM 1756 O MET A 112 -15.575 5.947 -1.272 1.00 0.00 O ATOM 1757 CB MET A 112 -16.160 2.801 -1.989 1.00 0.00 C ATOM 1758 CG MET A 112 -15.789 2.172 -0.656 1.00 0.00 C ATOM 1759 SD MET A 112 -16.447 3.088 0.751 1.00 0.00 S ATOM 1760 CE MET A 112 -18.206 2.973 0.437 1.00 0.00 C ATOM 0 H MET A 112 -13.914 2.273 -2.858 1.00 0.00 H new ATOM 0 HA MET A 112 -15.617 4.422 -3.291 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.160 3.229 -1.914 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.203 2.022 -2.750 1.00 0.00 H new ATOM 0 HG2 MET A 112 -16.163 1.148 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.703 2.118 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.745 2.969 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.526 3.828 -0.159 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.419 2.052 -0.106 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.055 4.537 -0.398 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.743 5.400 0.735 1.00 0.00 C ATOM 1772 C ARG A 113 -13.158 6.728 0.261 1.00 0.00 C ATOM 1773 O ARG A 113 -13.584 7.797 0.698 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.759 4.705 1.678 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.420 3.722 2.631 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.213 4.442 3.711 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.800 3.510 4.670 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.685 3.868 5.595 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.082 5.130 5.684 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.174 2.963 6.432 1.00 0.00 N ATOM 0 H ARG A 113 -13.530 3.662 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.670 5.601 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.012 4.177 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.230 5.461 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.082 3.060 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.659 3.094 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.560 5.140 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.004 5.032 3.248 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.515 2.531 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.708 5.829 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.761 5.402 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.871 1.991 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.853 3.239 7.141 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.179 6.651 -0.635 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.535 7.846 -1.167 1.00 0.00 C ATOM 1796 C PHE A 114 -12.562 8.785 -1.793 1.00 0.00 C ATOM 1797 O PHE A 114 -12.372 10.001 -1.819 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.479 7.462 -2.206 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.369 8.466 -2.333 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.378 8.548 -1.369 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.319 9.329 -3.416 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.355 9.471 -1.482 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.298 10.253 -3.535 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.316 10.326 -2.567 1.00 0.00 C ATOM 0 H PHE A 114 -11.815 5.774 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.050 8.365 -0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.054 6.494 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.962 7.342 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.405 7.883 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.086 9.279 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.588 9.524 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.268 10.918 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.519 11.050 -2.658 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.650 8.211 -2.296 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.708 8.996 -2.920 1.00 0.00 C ATOM 1816 C ALA A 115 -15.598 9.651 -1.870 1.00 0.00 C ATOM 1817 O ALA A 115 -15.848 10.856 -1.916 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.538 8.120 -3.847 1.00 0.00 C ATOM 0 H ALA A 115 -13.822 7.206 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.242 9.787 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.324 8.719 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.898 7.704 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.987 7.308 -3.275 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.075 8.851 -0.923 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.938 9.352 0.140 1.00 0.00 C ATOM 1826 C LYS A 116 -16.379 10.642 0.732 1.00 0.00 C ATOM 1827 O LYS A 116 -17.122 11.585 1.000 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.091 8.298 1.240 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.702 6.996 0.753 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.220 7.037 0.807 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.804 7.705 -0.429 1.00 0.00 C ATOM 1832 NZ LYS A 116 -21.223 7.315 -0.652 1.00 0.00 N ATOM 0 H LYS A 116 -15.878 7.852 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.917 9.564 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.112 8.091 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.712 8.705 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.379 6.802 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.338 6.171 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.610 6.023 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.539 7.577 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.737 8.788 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.211 7.434 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.584 7.791 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.284 6.285 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.794 7.597 0.171 1.00 0.00 H new ATOM 1846 N MET A 117 -15.065 10.675 0.932 1.00 0.00 N ATOM 1847 CA MET A 117 -14.407 11.851 1.489 1.00 0.00 C ATOM 1848 C MET A 117 -15.081 13.131 1.005 1.00 0.00 C ATOM 1849 O MET A 117 -15.166 13.384 -0.198 1.00 0.00 O ATOM 1850 CB MET A 117 -12.926 11.863 1.105 1.00 0.00 C ATOM 1851 CG MET A 117 -12.082 12.786 1.969 1.00 0.00 C ATOM 1852 SD MET A 117 -10.314 12.495 1.774 1.00 0.00 S ATOM 1853 CE MET A 117 -10.206 12.240 0.004 1.00 0.00 C ATOM 0 H MET A 117 -14.436 9.902 0.717 1.00 0.00 H new ATOM 0 HA MET A 117 -14.493 11.805 2.575 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.532 10.849 1.178 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.832 12.167 0.063 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.306 13.822 1.714 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.356 12.649 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.173 12.366 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.543 11.232 -0.240 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.837 12.967 -0.507 1.00 0.00 H new