USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 890 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 122 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 117 TYR OH : rot -79:sc= 0.0298 USER MOD Set 2.2: A 119 CYS SG : rot -68:sc= -1.14! USER MOD Set 2.3: A 120 ASN :FLIP amide:sc= -0.0152 F(o=-8.8,f=-1.1) USER MOD Set 3.1: A 56 ASN : amide:sc=-0.00234 K(o=0.008,f=-0.58) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -118:sc= 0.0104 (180deg=-0.142) USER MOD Set 4.1: A 40 ASN : amide:sc= 0.822 K(o=1.1,f=-4.9!) USER MOD Set 4.2: A 51 THR OG1 : rot -91:sc= 0.3 USER MOD Single : A 12 SER OG : rot 34:sc= 0.0866 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.22) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00933 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.64 X(o=-2.6,f=-2.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -1.29 F(o=-2.8,f=-1.3) USER MOD Single : A 37 CYS SG : rot -121:sc= 1.01 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= -1.57 (180deg=-2.15!) USER MOD Single : A 55 GLN : amide:sc= -0.859 K(o=-0.86,f=-2.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -0.0142 (180deg=-0.064) USER MOD Single : A 67 MET CE :methyl -151:sc= -0.0788 (180deg=-2.04) USER MOD Single : A 68 THR OG1 : rot 44:sc= 0.0141 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -1.95 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 96 SER OG : rot 180:sc= -0.283 USER MOD Single : A 100 SER OG : rot 39:sc= 0.216 USER MOD Single : A 111 MET CE :methyl -130:sc= -0.231 (180deg=-1.81) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 58:sc= 1.21 USER MOD Single : A 128 ASN : amide:sc= -9.49! C(o=-9.5!,f=-9.2!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.866 K(o=-0.87,f=-1.6) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 0.343 12.191 -13.258 1.00 0.00 N ATOM 118 CA SER A 12 -0.106 11.246 -12.243 1.00 0.00 C ATOM 119 C SER A 12 0.818 11.272 -11.029 1.00 0.00 C ATOM 120 O SER A 12 1.792 12.023 -10.993 1.00 0.00 O ATOM 121 CB SER A 12 -0.166 9.832 -12.823 1.00 0.00 C ATOM 122 OG SER A 12 -1.013 9.782 -13.958 1.00 0.00 O ATOM 0 HA SER A 12 -1.105 11.542 -11.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.837 9.506 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.529 9.139 -12.064 1.00 0.00 H new ATOM 0 HG SER A 12 -0.953 10.628 -14.449 1.00 0.00 H new ATOM 128 N PHE A 13 0.505 10.445 -10.038 1.00 0.00 N ATOM 129 CA PHE A 13 1.305 10.372 -8.821 1.00 0.00 C ATOM 130 C PHE A 13 2.216 9.148 -8.842 1.00 0.00 C ATOM 131 O PHE A 13 2.194 8.360 -9.787 1.00 0.00 O ATOM 132 CB PHE A 13 0.398 10.326 -7.590 1.00 0.00 C ATOM 133 CG PHE A 13 -0.312 11.622 -7.319 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.245 12.116 -8.216 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.045 12.346 -6.168 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.899 13.308 -7.970 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.696 13.539 -5.917 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.625 14.020 -6.818 1.00 0.00 C ATOM 0 H PHE A 13 -0.297 9.815 -10.053 1.00 0.00 H new ATOM 0 HA PHE A 13 1.927 11.266 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.342 9.537 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.995 10.059 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.464 11.563 -9.118 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.680 11.974 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.624 13.683 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.478 14.095 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.137 14.951 -6.623 1.00 0.00 H new ATOM 148 N VAL A 14 3.017 8.995 -7.792 1.00 0.00 N ATOM 149 CA VAL A 14 3.935 7.868 -7.688 1.00 0.00 C ATOM 150 C VAL A 14 4.142 7.459 -6.233 1.00 0.00 C ATOM 151 O VAL A 14 3.713 8.158 -5.314 1.00 0.00 O ATOM 152 CB VAL A 14 5.302 8.198 -8.316 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.149 8.503 -9.798 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.956 9.362 -7.588 1.00 0.00 C ATOM 0 H VAL A 14 3.048 9.638 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 14 3.482 7.040 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 14 5.949 7.327 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.125 8.734 -10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.727 7.636 -10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.485 9.358 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.921 9.581 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.314 10.240 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.102 9.100 -6.540 1.00 0.00 H new ATOM 164 N LEU A 15 4.801 6.324 -6.032 1.00 0.00 N ATOM 165 CA LEU A 15 5.066 5.822 -4.688 1.00 0.00 C ATOM 166 C LEU A 15 6.502 6.120 -4.268 1.00 0.00 C ATOM 167 O LEU A 15 7.445 5.846 -5.010 1.00 0.00 O ATOM 168 CB LEU A 15 4.807 4.315 -4.625 1.00 0.00 C ATOM 169 CG LEU A 15 3.467 3.841 -5.188 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.578 2.412 -5.698 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.377 3.948 -4.132 1.00 0.00 C ATOM 0 H LEU A 15 5.162 5.734 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 15 4.392 6.330 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.606 3.806 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.874 3.998 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 15 3.199 4.485 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.615 2.092 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.329 2.364 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.869 1.755 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.430 3.606 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.639 3.329 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.280 4.986 -3.814 1.00 0.00 H new ATOM 183 N ASP A 16 6.659 6.681 -3.074 1.00 0.00 N ATOM 184 CA ASP A 16 7.980 7.014 -2.553 1.00 0.00 C ATOM 185 C ASP A 16 8.603 5.814 -1.846 1.00 0.00 C ATOM 186 O ASP A 16 9.404 5.971 -0.924 1.00 0.00 O ATOM 187 CB ASP A 16 7.888 8.199 -1.591 1.00 0.00 C ATOM 188 CG ASP A 16 9.198 8.954 -1.476 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.256 8.355 -1.764 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.165 10.143 -1.098 1.00 0.00 O ATOM 0 H ASP A 16 5.888 6.915 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 16 8.617 7.288 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.108 8.880 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.591 7.841 -0.605 1.00 0.00 H new ATOM 195 N PHE A 17 8.230 4.616 -2.283 1.00 0.00 N ATOM 196 CA PHE A 17 8.750 3.390 -1.691 1.00 0.00 C ATOM 197 C PHE A 17 8.907 2.299 -2.747 1.00 0.00 C ATOM 198 O PHE A 17 8.156 2.251 -3.721 1.00 0.00 O ATOM 199 CB PHE A 17 7.824 2.905 -0.574 1.00 0.00 C ATOM 200 CG PHE A 17 6.392 2.758 -1.004 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.941 1.573 -1.563 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.498 3.805 -0.849 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.624 1.435 -1.960 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.180 3.672 -1.244 1.00 0.00 C ATOM 205 CZ PHE A 17 3.743 2.486 -1.800 1.00 0.00 C ATOM 0 H PHE A 17 7.569 4.468 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 17 9.732 3.608 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.185 1.945 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.875 3.606 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.626 0.748 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.834 4.735 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.285 0.506 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.492 4.495 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.714 2.381 -2.109 1.00 0.00 H new ATOM 215 N SER A 18 9.889 1.426 -2.546 1.00 0.00 N ATOM 216 CA SER A 18 10.148 0.339 -3.482 1.00 0.00 C ATOM 217 C SER A 18 9.179 -0.818 -3.253 1.00 0.00 C ATOM 218 O SER A 18 8.984 -1.262 -2.122 1.00 0.00 O ATOM 219 CB SER A 18 11.590 -0.152 -3.340 1.00 0.00 C ATOM 220 OG SER A 18 12.506 0.925 -3.422 1.00 0.00 O ATOM 0 H SER A 18 10.518 1.451 -1.743 1.00 0.00 H new ATOM 0 HA SER A 18 9.999 0.719 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.711 -0.664 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.808 -0.879 -4.122 1.00 0.00 H new ATOM 0 HG SER A 18 13.420 0.585 -3.327 1.00 0.00 H new ATOM 226 N GLN A 19 8.576 -1.300 -4.335 1.00 0.00 N ATOM 227 CA GLN A 19 7.628 -2.404 -4.252 1.00 0.00 C ATOM 228 C GLN A 19 8.055 -3.410 -3.188 1.00 0.00 C ATOM 229 O GLN A 19 9.236 -3.723 -3.033 1.00 0.00 O ATOM 230 CB GLN A 19 7.503 -3.100 -5.608 1.00 0.00 C ATOM 231 CG GLN A 19 7.179 -2.152 -6.751 1.00 0.00 C ATOM 232 CD GLN A 19 6.095 -1.155 -6.392 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.289 0.056 -6.500 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.944 -1.660 -5.963 1.00 0.00 N ATOM 0 H GLN A 19 8.727 -0.943 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 19 6.657 -1.995 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.437 -3.617 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.725 -3.861 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.082 -1.613 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.863 -2.730 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.827 -2.670 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.177 -1.037 -5.708 1.00 0.00 H new ATOM 243 N PRO A 20 7.073 -3.929 -2.436 1.00 0.00 N ATOM 244 CA PRO A 20 7.324 -4.908 -1.373 1.00 0.00 C ATOM 245 C PRO A 20 7.753 -6.264 -1.923 1.00 0.00 C ATOM 246 O PRO A 20 8.722 -6.858 -1.450 1.00 0.00 O ATOM 247 CB PRO A 20 5.969 -5.021 -0.669 1.00 0.00 C ATOM 248 CG PRO A 20 4.970 -4.635 -1.705 1.00 0.00 C ATOM 249 CD PRO A 20 5.644 -3.602 -2.565 1.00 0.00 C ATOM 0 HA PRO A 20 8.137 -4.598 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.794 -6.035 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.917 -4.361 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.668 -5.499 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.067 -4.232 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.310 -3.662 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.431 -2.590 -2.219 1.00 0.00 H new ATOM 257 N SER A 21 7.026 -6.748 -2.925 1.00 0.00 N ATOM 258 CA SER A 21 7.330 -8.036 -3.537 1.00 0.00 C ATOM 259 C SER A 21 8.815 -8.141 -3.872 1.00 0.00 C ATOM 260 O SER A 21 9.413 -9.211 -3.761 1.00 0.00 O ATOM 261 CB SER A 21 6.495 -8.232 -4.804 1.00 0.00 C ATOM 262 OG SER A 21 7.033 -7.497 -5.889 1.00 0.00 O ATOM 0 H SER A 21 6.223 -6.268 -3.330 1.00 0.00 H new ATOM 0 HA SER A 21 7.080 -8.819 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.460 -9.291 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.469 -7.915 -4.619 1.00 0.00 H new ATOM 0 HG SER A 21 6.482 -7.641 -6.687 1.00 0.00 H new ATOM 268 N ALA A 22 9.403 -7.022 -4.283 1.00 0.00 N ATOM 269 CA ALA A 22 10.817 -6.987 -4.633 1.00 0.00 C ATOM 270 C ALA A 22 11.634 -7.884 -3.709 1.00 0.00 C ATOM 271 O ALA A 22 12.587 -8.532 -4.141 1.00 0.00 O ATOM 272 CB ALA A 22 11.338 -5.558 -4.581 1.00 0.00 C ATOM 0 H ALA A 22 8.922 -6.128 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 22 10.924 -7.365 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.396 -5.546 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.781 -4.942 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.211 -5.161 -3.574 1.00 0.00 H new ATOM 278 N ASP A 23 11.255 -7.915 -2.436 1.00 0.00 N ATOM 279 CA ASP A 23 11.952 -8.734 -1.451 1.00 0.00 C ATOM 280 C ASP A 23 11.128 -9.964 -1.085 1.00 0.00 C ATOM 281 O ASP A 23 10.214 -9.890 -0.264 1.00 0.00 O ATOM 282 CB ASP A 23 12.251 -7.913 -0.195 1.00 0.00 C ATOM 283 CG ASP A 23 13.176 -6.744 -0.474 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.118 -6.911 -1.277 1.00 0.00 O ATOM 285 OD2 ASP A 23 12.958 -5.663 0.111 1.00 0.00 O ATOM 0 H ASP A 23 10.469 -7.383 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 23 12.892 -9.067 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.316 -7.541 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.703 -8.558 0.558 1.00 0.00 H new ATOM 290 N TYR A 24 11.457 -11.094 -1.701 1.00 0.00 N ATOM 291 CA TYR A 24 10.745 -12.340 -1.443 1.00 0.00 C ATOM 292 C TYR A 24 10.805 -12.705 0.037 1.00 0.00 C ATOM 293 O TYR A 24 9.791 -13.052 0.645 1.00 0.00 O ATOM 294 CB TYR A 24 11.336 -13.473 -2.284 1.00 0.00 C ATOM 295 CG TYR A 24 10.580 -14.777 -2.161 1.00 0.00 C ATOM 296 CD1 TYR A 24 10.557 -15.480 -0.963 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.886 -15.304 -3.243 1.00 0.00 C ATOM 298 CE1 TYR A 24 9.868 -16.671 -0.847 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.193 -16.494 -3.136 1.00 0.00 C ATOM 300 CZ TYR A 24 9.187 -17.174 -1.935 1.00 0.00 C ATOM 301 OH TYR A 24 8.498 -18.360 -1.823 1.00 0.00 O ATOM 0 H TYR A 24 12.212 -11.173 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 24 9.701 -12.197 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 24 11.350 -13.168 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.372 -13.634 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.087 -15.088 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.888 -14.774 -4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.863 -17.206 0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.659 -16.890 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 24 8.073 -18.573 -2.680 1.00 0.00 H new ATOM 311 N LEU A 25 12.000 -12.625 0.612 1.00 0.00 N ATOM 312 CA LEU A 25 12.194 -12.946 2.021 1.00 0.00 C ATOM 313 C LEU A 25 11.540 -11.896 2.914 1.00 0.00 C ATOM 314 O LEU A 25 10.655 -12.209 3.711 1.00 0.00 O ATOM 315 CB LEU A 25 13.687 -13.044 2.341 1.00 0.00 C ATOM 316 CG LEU A 25 14.354 -14.383 2.023 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.919 -15.446 3.020 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.029 -14.817 0.601 1.00 0.00 C ATOM 0 H LEU A 25 12.849 -12.340 0.124 1.00 0.00 H new ATOM 0 HA LEU A 25 11.722 -13.909 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.209 -12.261 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.826 -12.834 3.402 1.00 0.00 H new ATOM 0 HG LEU A 25 15.434 -14.258 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.404 -16.392 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.204 -15.139 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.837 -15.570 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.512 -15.772 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.950 -14.925 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.392 -14.066 -0.101 1.00 0.00 H new ATOM 330 N ASP A 26 11.980 -10.650 2.774 1.00 0.00 N ATOM 331 CA ASP A 26 11.434 -9.553 3.565 1.00 0.00 C ATOM 332 C ASP A 26 9.911 -9.539 3.496 1.00 0.00 C ATOM 333 O ASP A 26 9.239 -9.159 4.456 1.00 0.00 O ATOM 334 CB ASP A 26 11.992 -8.216 3.075 1.00 0.00 C ATOM 335 CG ASP A 26 12.089 -7.188 4.185 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.522 -7.431 5.270 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.733 -6.140 3.968 1.00 0.00 O ATOM 0 H ASP A 26 12.713 -10.375 2.120 1.00 0.00 H new ATOM 0 HA ASP A 26 11.731 -9.703 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.980 -8.374 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.355 -7.829 2.280 1.00 0.00 H new ATOM 342 N PHE A 27 9.371 -9.953 2.355 1.00 0.00 N ATOM 343 CA PHE A 27 7.926 -9.986 2.160 1.00 0.00 C ATOM 344 C PHE A 27 7.299 -11.145 2.928 1.00 0.00 C ATOM 345 O PHE A 27 6.531 -10.938 3.868 1.00 0.00 O ATOM 346 CB PHE A 27 7.594 -10.107 0.671 1.00 0.00 C ATOM 347 CG PHE A 27 6.128 -10.289 0.397 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.547 -11.545 0.467 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.332 -9.204 0.069 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.199 -11.715 0.215 1.00 0.00 C ATOM 351 CE2 PHE A 27 3.983 -9.368 -0.183 1.00 0.00 C ATOM 352 CZ PHE A 27 3.416 -10.625 -0.111 1.00 0.00 C ATOM 0 H PHE A 27 9.912 -10.271 1.551 1.00 0.00 H new ATOM 0 HA PHE A 27 7.512 -9.054 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.944 -9.213 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.141 -10.951 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.155 -12.401 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.770 -8.219 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.758 -12.699 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.373 -8.514 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.362 -10.756 -0.309 1.00 0.00 H new ATOM 362 N ARG A 28 7.633 -12.366 2.522 1.00 0.00 N ATOM 363 CA ARG A 28 7.103 -13.559 3.171 1.00 0.00 C ATOM 364 C ARG A 28 7.229 -13.455 4.688 1.00 0.00 C ATOM 365 O ARG A 28 6.300 -13.786 5.422 1.00 0.00 O ATOM 366 CB ARG A 28 7.835 -14.806 2.671 1.00 0.00 C ATOM 367 CG ARG A 28 9.032 -15.191 3.525 1.00 0.00 C ATOM 368 CD ARG A 28 9.576 -16.557 3.137 1.00 0.00 C ATOM 369 NE ARG A 28 10.648 -16.993 4.028 1.00 0.00 N ATOM 370 CZ ARG A 28 10.453 -17.350 5.292 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.234 -17.323 5.812 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.480 -17.735 6.040 1.00 0.00 N ATOM 0 H ARG A 28 8.268 -12.555 1.747 1.00 0.00 H new ATOM 0 HA ARG A 28 6.046 -13.641 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.135 -15.641 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.169 -14.635 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.815 -14.441 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.743 -15.198 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.768 -17.288 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.948 -16.522 2.113 1.00 0.00 H new ATOM 0 HE ARG A 28 11.598 -17.025 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.442 -17.027 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.088 -17.598 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.420 -17.757 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.329 -18.009 7.011 1.00 0.00 H new ATOM 386 N ASN A 29 8.387 -12.992 5.150 1.00 0.00 N ATOM 387 CA ASN A 29 8.636 -12.846 6.579 1.00 0.00 C ATOM 388 C ASN A 29 7.605 -11.920 7.218 1.00 0.00 C ATOM 389 O ASN A 29 7.190 -12.129 8.358 1.00 0.00 O ATOM 390 CB ASN A 29 10.045 -12.302 6.819 1.00 0.00 C ATOM 391 CG ASN A 29 11.119 -13.206 6.246 1.00 0.00 C ATOM 392 OD1 ASN A 29 10.988 -14.430 6.259 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.190 -12.605 5.739 1.00 0.00 N ATOM 0 H ASN A 29 9.167 -12.712 4.555 1.00 0.00 H new ATOM 0 HA ASN A 29 8.551 -13.830 7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.130 -11.312 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.208 -12.183 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.946 -13.161 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.256 -11.587 5.749 1.00 0.00 H new ATOM 400 N ARG A 30 7.197 -10.896 6.476 1.00 0.00 N ATOM 401 CA ARG A 30 6.216 -9.937 6.970 1.00 0.00 C ATOM 402 C ARG A 30 4.816 -10.545 6.974 1.00 0.00 C ATOM 403 O ARG A 30 3.971 -10.179 7.791 1.00 0.00 O ATOM 404 CB ARG A 30 6.232 -8.671 6.112 1.00 0.00 C ATOM 405 CG ARG A 30 7.445 -7.787 6.353 1.00 0.00 C ATOM 406 CD ARG A 30 7.858 -7.052 5.088 1.00 0.00 C ATOM 407 NE ARG A 30 7.220 -5.742 4.983 1.00 0.00 N ATOM 408 CZ ARG A 30 7.600 -4.807 4.120 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.609 -5.035 3.291 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.970 -3.640 4.084 1.00 0.00 N ATOM 0 H ARG A 30 7.531 -10.709 5.530 1.00 0.00 H new ATOM 0 HA ARG A 30 6.483 -9.676 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.203 -8.955 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.328 -8.095 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.220 -7.065 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.276 -8.396 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.941 -6.930 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.596 -7.653 4.217 1.00 0.00 H new ATOM 0 HE ARG A 30 6.440 -5.534 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.096 -5.931 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.898 -4.315 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.193 -3.460 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.263 -2.923 3.421 1.00 0.00 H new ATOM 424 N LEU A 31 4.578 -11.473 6.054 1.00 0.00 N ATOM 425 CA LEU A 31 3.280 -12.132 5.950 1.00 0.00 C ATOM 426 C LEU A 31 3.174 -13.286 6.942 1.00 0.00 C ATOM 427 O LEU A 31 2.079 -13.761 7.241 1.00 0.00 O ATOM 428 CB LEU A 31 3.060 -12.646 4.527 1.00 0.00 C ATOM 429 CG LEU A 31 1.740 -13.375 4.273 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.642 -12.383 3.919 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.904 -14.407 3.167 1.00 0.00 C ATOM 0 H LEU A 31 5.266 -11.786 5.369 1.00 0.00 H new ATOM 0 HA LEU A 31 2.508 -11.400 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.122 -11.800 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.879 -13.320 4.275 1.00 0.00 H new ATOM 0 HG LEU A 31 1.453 -13.894 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.290 -12.920 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.506 -11.682 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.922 -11.836 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.954 -14.916 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.215 -13.910 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.660 -15.136 3.459 1.00 0.00 H new ATOM 443 N GLN A 32 4.320 -13.730 7.450 1.00 0.00 N ATOM 444 CA GLN A 32 4.355 -14.828 8.409 1.00 0.00 C ATOM 445 C GLN A 32 4.422 -14.300 9.838 1.00 0.00 C ATOM 446 O GLN A 32 3.946 -14.944 10.772 1.00 0.00 O ATOM 447 CB GLN A 32 5.553 -15.738 8.132 1.00 0.00 C ATOM 448 CG GLN A 32 5.868 -16.693 9.271 1.00 0.00 C ATOM 449 CD GLN A 32 7.155 -17.462 9.049 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.248 -16.948 9.290 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.033 -18.701 8.587 1.00 0.00 N ATOM 0 H GLN A 32 5.235 -13.347 7.214 1.00 0.00 H new ATOM 0 HA GLN A 32 3.437 -15.405 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.359 -16.315 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.429 -15.121 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.941 -16.131 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.044 -17.397 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.107 -19.087 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.865 -19.267 8.418 1.00 0.00 H new ATOM 460 N ALA A 33 5.018 -13.123 10.001 1.00 0.00 N ATOM 461 CA ALA A 33 5.146 -12.507 11.316 1.00 0.00 C ATOM 462 C ALA A 33 4.034 -11.493 11.559 1.00 0.00 C ATOM 463 O ALA A 33 3.601 -11.292 12.693 1.00 0.00 O ATOM 464 CB ALA A 33 6.508 -11.844 11.457 1.00 0.00 C ATOM 0 H ALA A 33 5.420 -12.577 9.239 1.00 0.00 H new ATOM 0 HA ALA A 33 5.056 -13.291 12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.590 -11.388 12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.291 -12.592 11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.620 -11.076 10.692 1.00 0.00 H new ATOM 470 N ASP A 34 3.576 -10.856 10.486 1.00 0.00 N ATOM 471 CA ASP A 34 2.513 -9.862 10.583 1.00 0.00 C ATOM 472 C ASP A 34 1.190 -10.431 10.080 1.00 0.00 C ATOM 473 O ASP A 34 0.136 -9.816 10.243 1.00 0.00 O ATOM 474 CB ASP A 34 2.882 -8.611 9.784 1.00 0.00 C ATOM 475 CG ASP A 34 2.279 -7.351 10.372 1.00 0.00 C ATOM 476 OD1 ASP A 34 2.917 -6.744 11.258 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.169 -6.970 9.946 1.00 0.00 O ATOM 0 H ASP A 34 3.924 -11.010 9.540 1.00 0.00 H new ATOM 0 HA ASP A 34 2.396 -9.592 11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.967 -8.511 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.542 -8.727 8.755 1.00 0.00 H new ATOM 482 N HIS A 35 1.253 -11.609 9.466 1.00 0.00 N ATOM 483 CA HIS A 35 0.060 -12.260 8.938 1.00 0.00 C ATOM 484 C HIS A 35 -0.619 -11.384 7.889 1.00 0.00 C ATOM 485 O HIS A 35 -1.833 -11.453 7.699 1.00 0.00 O ATOM 486 CB HIS A 35 -0.919 -12.573 10.069 1.00 0.00 C ATOM 487 CG HIS A 35 -0.282 -13.251 11.243 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.190 -12.748 12.407 1.00 0.00 N flip ATOM 489 CD2 HIS A 35 -0.066 -14.612 11.300 1.00 0.00 C flip ATOM 490 CE1 HIS A 35 0.676 -13.803 13.140 1.00 0.00 C flip ATOM 491 NE2 HIS A 35 0.509 -14.917 12.450 1.00 0.00 N flip ATOM 0 H HIS A 35 2.117 -12.131 9.322 1.00 0.00 H new ATOM 0 HA HIS A 35 0.366 -13.193 8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.383 -11.645 10.404 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.717 -13.207 9.683 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.186 -11.767 12.688 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.326 -15.318 10.526 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.122 -13.733 14.121 1.00 0.00 H new ATOM 499 N VAL A 36 0.173 -10.559 7.212 1.00 0.00 N ATOM 500 CA VAL A 36 -0.351 -9.669 6.183 1.00 0.00 C ATOM 501 C VAL A 36 0.774 -8.918 5.480 1.00 0.00 C ATOM 502 O VAL A 36 1.777 -8.561 6.100 1.00 0.00 O ATOM 503 CB VAL A 36 -1.343 -8.650 6.774 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.618 -7.654 7.666 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.096 -7.933 5.663 1.00 0.00 C ATOM 0 H VAL A 36 1.180 -10.488 7.358 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.873 -10.295 5.459 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.068 -9.188 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.335 -6.942 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.129 -8.185 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.131 -7.120 7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.793 -7.217 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.387 -7.407 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.649 -8.661 5.069 1.00 0.00 H new ATOM 515 N CYS A 37 0.601 -8.680 4.185 1.00 0.00 N ATOM 516 CA CYS A 37 1.603 -7.971 3.397 1.00 0.00 C ATOM 517 C CYS A 37 1.066 -7.636 2.009 1.00 0.00 C ATOM 518 O CYS A 37 0.271 -8.386 1.442 1.00 0.00 O ATOM 519 CB CYS A 37 2.875 -8.811 3.276 1.00 0.00 C ATOM 520 SG CYS A 37 4.388 -7.837 3.097 1.00 0.00 S ATOM 0 H CYS A 37 -0.224 -8.968 3.658 1.00 0.00 H new ATOM 0 HA CYS A 37 1.840 -7.039 3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.965 -9.444 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.779 -9.475 2.417 1.00 0.00 H new ATOM 0 HG CYS A 37 4.983 -8.160 1.987 1.00 0.00 H new ATOM 526 N LEU A 38 1.505 -6.505 1.468 1.00 0.00 N ATOM 527 CA LEU A 38 1.067 -6.069 0.146 1.00 0.00 C ATOM 528 C LEU A 38 2.008 -6.587 -0.937 1.00 0.00 C ATOM 529 O LEU A 38 3.218 -6.367 -0.878 1.00 0.00 O ATOM 530 CB LEU A 38 0.995 -4.542 0.089 1.00 0.00 C ATOM 531 CG LEU A 38 0.869 -3.928 -1.306 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.593 -3.811 -1.707 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.548 -2.567 -1.352 1.00 0.00 C ATOM 0 H LEU A 38 2.164 -5.873 1.924 1.00 0.00 H new ATOM 0 HA LEU A 38 0.074 -6.480 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.143 -4.216 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.890 -4.138 0.563 1.00 0.00 H new ATOM 0 HG LEU A 38 1.368 -4.585 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.663 -3.372 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.049 -4.801 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.117 -3.176 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.449 -2.144 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.078 -1.901 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.605 -2.679 -1.109 1.00 0.00 H new ATOM 545 N GLU A 39 1.444 -7.273 -1.926 1.00 0.00 N ATOM 546 CA GLU A 39 2.234 -7.820 -3.023 1.00 0.00 C ATOM 547 C GLU A 39 2.678 -6.715 -3.977 1.00 0.00 C ATOM 548 O GLU A 39 3.869 -6.438 -4.111 1.00 0.00 O ATOM 549 CB GLU A 39 1.428 -8.874 -3.785 1.00 0.00 C ATOM 550 CG GLU A 39 2.223 -9.583 -4.868 1.00 0.00 C ATOM 551 CD GLU A 39 1.462 -10.737 -5.490 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.725 -11.428 -4.755 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.602 -10.949 -6.713 1.00 0.00 O ATOM 0 H GLU A 39 0.444 -7.463 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 39 3.122 -8.289 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.053 -9.614 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.559 -8.397 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.489 -8.867 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.156 -9.954 -4.444 1.00 0.00 H new ATOM 560 N ASN A 40 1.711 -6.088 -4.638 1.00 0.00 N ATOM 561 CA ASN A 40 2.002 -5.014 -5.581 1.00 0.00 C ATOM 562 C ASN A 40 0.956 -3.907 -5.484 1.00 0.00 C ATOM 563 O ASN A 40 -0.239 -4.178 -5.357 1.00 0.00 O ATOM 564 CB ASN A 40 2.051 -5.561 -7.009 1.00 0.00 C ATOM 565 CG ASN A 40 0.700 -6.055 -7.486 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.213 -7.095 -7.040 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.086 -5.311 -8.399 1.00 0.00 N ATOM 0 H ASN A 40 0.719 -6.305 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 40 2.975 -4.594 -5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.408 -4.781 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.771 -6.378 -7.058 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.826 -5.594 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.526 -4.457 -8.741 1.00 0.00 H new ATOM 574 N CYS A 41 1.413 -2.662 -5.545 1.00 0.00 N ATOM 575 CA CYS A 41 0.518 -1.513 -5.465 1.00 0.00 C ATOM 576 C CYS A 41 0.822 -0.508 -6.571 1.00 0.00 C ATOM 577 O CYS A 41 1.738 0.305 -6.451 1.00 0.00 O ATOM 578 CB CYS A 41 0.642 -0.839 -4.098 1.00 0.00 C ATOM 579 SG CYS A 41 -0.433 0.599 -3.884 1.00 0.00 S ATOM 0 H CYS A 41 2.399 -2.422 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.504 -1.870 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.412 -1.570 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.677 -0.531 -3.949 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.258 1.099 -2.697 1.00 0.00 H new ATOM 585 N VAL A 42 0.046 -0.571 -7.649 1.00 0.00 N ATOM 586 CA VAL A 42 0.233 0.334 -8.778 1.00 0.00 C ATOM 587 C VAL A 42 -0.649 1.570 -8.642 1.00 0.00 C ATOM 588 O VAL A 42 -1.591 1.591 -7.849 1.00 0.00 O ATOM 589 CB VAL A 42 -0.083 -0.364 -10.114 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.756 -1.623 -10.270 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.567 -0.687 -10.208 1.00 0.00 C ATOM 0 H VAL A 42 -0.717 -1.238 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 42 1.280 0.636 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 42 0.170 0.315 -10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.519 -2.103 -11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.814 -1.360 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.537 -2.310 -9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.773 -1.180 -11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.848 -1.348 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.145 0.235 -10.145 1.00 0.00 H new ATOM 601 N LEU A 43 -0.337 2.600 -9.421 1.00 0.00 N ATOM 602 CA LEU A 43 -1.101 3.843 -9.389 1.00 0.00 C ATOM 603 C LEU A 43 -1.778 4.100 -10.731 1.00 0.00 C ATOM 604 O LEU A 43 -1.222 3.797 -11.787 1.00 0.00 O ATOM 605 CB LEU A 43 -0.188 5.017 -9.031 1.00 0.00 C ATOM 606 CG LEU A 43 -0.843 6.168 -8.268 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.168 6.850 -7.359 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.453 7.171 -9.237 1.00 0.00 C ATOM 0 H LEU A 43 0.439 2.599 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.874 3.747 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.641 4.637 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.238 5.414 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.641 5.760 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.317 7.667 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.558 6.128 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.988 7.245 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.915 7.984 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.673 7.573 -9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.209 6.675 -9.846 1.00 0.00 H new ATOM 620 N LYS A 44 -2.980 4.663 -10.683 1.00 0.00 N ATOM 621 CA LYS A 44 -3.733 4.966 -11.895 1.00 0.00 C ATOM 622 C LYS A 44 -4.368 6.350 -11.809 1.00 0.00 C ATOM 623 O LYS A 44 -4.183 7.069 -10.827 1.00 0.00 O ATOM 624 CB LYS A 44 -4.816 3.909 -12.124 1.00 0.00 C ATOM 625 CG LYS A 44 -4.280 2.489 -12.166 1.00 0.00 C ATOM 626 CD LYS A 44 -5.311 1.489 -11.667 1.00 0.00 C ATOM 627 CE LYS A 44 -6.381 1.223 -12.715 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.663 0.781 -12.099 1.00 0.00 N ATOM 0 H LYS A 44 -3.455 4.919 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.040 4.956 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.559 3.985 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.328 4.123 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.992 2.238 -13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.380 2.421 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.816 0.554 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.777 1.868 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.551 2.128 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.029 0.459 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.366 0.610 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.506 -0.097 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.013 1.521 -11.457 1.00 0.00 H new ATOM 642 N ASP A 45 -5.118 6.717 -12.842 1.00 0.00 N ATOM 643 CA ASP A 45 -5.783 8.014 -12.882 1.00 0.00 C ATOM 644 C ASP A 45 -6.663 8.211 -11.653 1.00 0.00 C ATOM 645 O ASP A 45 -7.624 7.472 -11.438 1.00 0.00 O ATOM 646 CB ASP A 45 -6.625 8.140 -14.153 1.00 0.00 C ATOM 647 CG ASP A 45 -7.243 6.821 -14.572 1.00 0.00 C ATOM 648 OD1 ASP A 45 -7.839 6.144 -13.708 1.00 0.00 O ATOM 649 OD2 ASP A 45 -7.132 6.466 -15.764 1.00 0.00 O ATOM 0 H ASP A 45 -5.281 6.134 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.016 8.788 -12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.415 8.873 -13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.001 8.519 -14.962 1.00 0.00 H new ATOM 654 N LYS A 46 -6.329 9.213 -10.846 1.00 0.00 N ATOM 655 CA LYS A 46 -7.088 9.509 -9.637 1.00 0.00 C ATOM 656 C LYS A 46 -7.603 8.228 -8.990 1.00 0.00 C ATOM 657 O LYS A 46 -8.715 8.190 -8.464 1.00 0.00 O ATOM 658 CB LYS A 46 -8.262 10.436 -9.962 1.00 0.00 C ATOM 659 CG LYS A 46 -7.835 11.822 -10.416 1.00 0.00 C ATOM 660 CD LYS A 46 -7.467 12.706 -9.236 1.00 0.00 C ATOM 661 CE LYS A 46 -6.459 13.774 -9.633 1.00 0.00 C ATOM 662 NZ LYS A 46 -6.984 14.660 -10.709 1.00 0.00 N ATOM 0 H LYS A 46 -5.536 9.834 -11.008 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.422 10.008 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.870 9.978 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.895 10.531 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.982 11.739 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.643 12.286 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.365 13.181 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.053 12.093 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.204 14.375 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.539 13.297 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.303 15.425 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.124 14.106 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.892 15.069 -10.410 1.00 0.00 H new ATOM 676 N ALA A 47 -6.786 7.180 -9.032 1.00 0.00 N ATOM 677 CA ALA A 47 -7.157 5.898 -8.446 1.00 0.00 C ATOM 678 C ALA A 47 -5.940 4.993 -8.288 1.00 0.00 C ATOM 679 O ALA A 47 -4.928 5.174 -8.966 1.00 0.00 O ATOM 680 CB ALA A 47 -8.217 5.216 -9.299 1.00 0.00 C ATOM 0 H ALA A 47 -5.863 7.194 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.568 6.085 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.485 4.260 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.101 5.851 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.825 5.049 -10.302 1.00 0.00 H new ATOM 686 N ILE A 48 -6.045 4.021 -7.389 1.00 0.00 N ATOM 687 CA ILE A 48 -4.952 3.088 -7.142 1.00 0.00 C ATOM 688 C ILE A 48 -5.453 1.648 -7.116 1.00 0.00 C ATOM 689 O ILE A 48 -6.651 1.400 -6.980 1.00 0.00 O ATOM 690 CB ILE A 48 -4.238 3.396 -5.813 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.011 2.786 -4.641 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.085 4.898 -5.629 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.464 3.180 -3.287 1.00 0.00 C ATOM 0 H ILE A 48 -6.875 3.859 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.244 3.208 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.244 2.950 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.055 3.093 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.992 1.700 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.579 5.099 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.497 5.307 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.070 5.366 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.060 2.712 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.429 2.849 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.508 4.264 -3.178 1.00 0.00 H new ATOM 705 N ALA A 49 -4.528 0.703 -7.244 1.00 0.00 N ATOM 706 CA ALA A 49 -4.876 -0.713 -7.231 1.00 0.00 C ATOM 707 C ALA A 49 -3.706 -1.560 -6.742 1.00 0.00 C ATOM 708 O ALA A 49 -2.557 -1.323 -7.112 1.00 0.00 O ATOM 709 CB ALA A 49 -5.312 -1.162 -8.618 1.00 0.00 C ATOM 0 H ALA A 49 -3.532 0.892 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.706 -0.852 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.569 -2.221 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.182 -0.585 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.498 -1.002 -9.325 1.00 0.00 H new ATOM 715 N GLY A 50 -4.008 -2.550 -5.907 1.00 0.00 N ATOM 716 CA GLY A 50 -2.970 -3.418 -5.380 1.00 0.00 C ATOM 717 C GLY A 50 -3.528 -4.700 -4.795 1.00 0.00 C ATOM 718 O GLY A 50 -4.709 -4.773 -4.452 1.00 0.00 O ATOM 0 H GLY A 50 -4.952 -2.766 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.266 -3.662 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.410 -2.885 -4.611 1.00 0.00 H new ATOM 722 N THR A 51 -2.679 -5.716 -4.681 1.00 0.00 N ATOM 723 CA THR A 51 -3.094 -7.003 -4.137 1.00 0.00 C ATOM 724 C THR A 51 -2.429 -7.271 -2.792 1.00 0.00 C ATOM 725 O THR A 51 -1.214 -7.129 -2.650 1.00 0.00 O ATOM 726 CB THR A 51 -2.759 -8.155 -5.102 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.357 -8.159 -5.393 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.550 -8.026 -6.395 1.00 0.00 C ATOM 0 H THR A 51 -1.698 -5.672 -4.959 1.00 0.00 H new ATOM 0 HA THR A 51 -4.175 -6.956 -4.002 1.00 0.00 H new ATOM 0 HB THR A 51 -3.032 -9.094 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.186 -7.610 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.296 -8.851 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.617 -8.054 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.304 -7.081 -6.879 1.00 0.00 H new ATOM 736 N VAL A 52 -3.232 -7.661 -1.807 1.00 0.00 N ATOM 737 CA VAL A 52 -2.720 -7.951 -0.473 1.00 0.00 C ATOM 738 C VAL A 52 -2.808 -9.442 -0.163 1.00 0.00 C ATOM 739 O VAL A 52 -3.690 -10.140 -0.664 1.00 0.00 O ATOM 740 CB VAL A 52 -3.489 -7.167 0.606 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.946 -7.490 1.990 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.416 -5.673 0.332 1.00 0.00 C ATOM 0 H VAL A 52 -4.240 -7.783 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.675 -7.641 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.536 -7.469 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.502 -6.927 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.055 -8.557 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.892 -7.218 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.965 -5.134 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.374 -5.353 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.857 -5.460 -0.642 1.00 0.00 H new ATOM 752 N LYS A 53 -1.889 -9.923 0.666 1.00 0.00 N ATOM 753 CA LYS A 53 -1.863 -11.331 1.046 1.00 0.00 C ATOM 754 C LYS A 53 -2.228 -11.504 2.517 1.00 0.00 C ATOM 755 O LYS A 53 -1.996 -10.613 3.334 1.00 0.00 O ATOM 756 CB LYS A 53 -0.478 -11.926 0.780 1.00 0.00 C ATOM 757 CG LYS A 53 -0.278 -12.383 -0.654 1.00 0.00 C ATOM 758 CD LYS A 53 -1.112 -13.614 -0.969 1.00 0.00 C ATOM 759 CE LYS A 53 -0.453 -14.882 -0.448 1.00 0.00 C ATOM 760 NZ LYS A 53 -0.848 -15.174 0.958 1.00 0.00 N ATOM 0 H LYS A 53 -1.152 -9.359 1.088 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.601 -11.859 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.281 -11.183 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.321 -12.773 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.548 -11.576 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.776 -12.604 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.102 -13.508 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.254 -13.693 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.728 -15.723 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.631 -14.779 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.834 -16.202 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.180 -14.714 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.807 -14.810 1.132 1.00 0.00 H new ATOM 774 N VAL A 54 -2.800 -12.658 2.848 1.00 0.00 N ATOM 775 CA VAL A 54 -3.195 -12.949 4.221 1.00 0.00 C ATOM 776 C VAL A 54 -3.023 -14.430 4.540 1.00 0.00 C ATOM 777 O VAL A 54 -3.243 -15.288 3.686 1.00 0.00 O ATOM 778 CB VAL A 54 -4.659 -12.546 4.481 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.841 -11.047 4.297 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.595 -13.321 3.567 1.00 0.00 C ATOM 0 H VAL A 54 -3.000 -13.406 2.184 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.544 -12.363 4.869 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.908 -12.794 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.881 -10.781 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.198 -10.514 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.574 -10.771 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.625 -13.024 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.348 -13.107 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.484 -14.389 3.753 1.00 0.00 H new ATOM 790 N GLN A 55 -2.628 -14.721 5.775 1.00 0.00 N ATOM 791 CA GLN A 55 -2.426 -16.099 6.207 1.00 0.00 C ATOM 792 C GLN A 55 -3.751 -16.750 6.590 1.00 0.00 C ATOM 793 O GLN A 55 -4.542 -16.176 7.338 1.00 0.00 O ATOM 794 CB GLN A 55 -1.459 -16.149 7.391 1.00 0.00 C ATOM 795 CG GLN A 55 -0.008 -15.913 7.002 1.00 0.00 C ATOM 796 CD GLN A 55 0.661 -17.161 6.461 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.038 -17.960 5.762 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.938 -17.335 6.783 1.00 0.00 N ATOM 0 H GLN A 55 -2.442 -14.022 6.494 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.997 -16.654 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.756 -15.399 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.543 -17.121 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.039 -15.125 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.544 -15.557 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.415 -16.647 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.441 -18.157 6.448 1.00 0.00 H new ATOM 807 N ASN A 56 -3.988 -17.950 6.071 1.00 0.00 N ATOM 808 CA ASN A 56 -5.218 -18.678 6.359 1.00 0.00 C ATOM 809 C ASN A 56 -5.231 -19.177 7.801 1.00 0.00 C ATOM 810 O ASN A 56 -5.079 -20.373 8.057 1.00 0.00 O ATOM 811 CB ASN A 56 -5.374 -19.858 5.397 1.00 0.00 C ATOM 812 CG ASN A 56 -6.826 -20.220 5.156 1.00 0.00 C ATOM 813 OD1 ASN A 56 -7.595 -20.412 6.099 1.00 0.00 O ATOM 814 ND2 ASN A 56 -7.210 -20.314 3.888 1.00 0.00 N ATOM 0 H ASN A 56 -3.344 -18.439 5.449 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.056 -17.994 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.901 -19.613 4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.849 -20.724 5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.176 -20.554 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.539 -20.147 3.138 1.00 0.00 H new ATOM 821 N LEU A 57 -5.413 -18.255 8.738 1.00 0.00 N ATOM 822 CA LEU A 57 -5.447 -18.600 10.155 1.00 0.00 C ATOM 823 C LEU A 57 -6.846 -19.040 10.576 1.00 0.00 C ATOM 824 O LEU A 57 -7.026 -20.122 11.132 1.00 0.00 O ATOM 825 CB LEU A 57 -4.999 -17.407 11.002 1.00 0.00 C ATOM 826 CG LEU A 57 -3.717 -16.707 10.550 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.449 -15.479 11.407 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.537 -17.666 10.604 1.00 0.00 C ATOM 0 H LEU A 57 -5.539 -17.262 8.543 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.761 -19.431 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.805 -16.673 11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.861 -17.747 12.028 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.848 -16.383 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.533 -14.994 11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.283 -14.783 11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.339 -15.779 12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.634 -17.150 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.404 -18.022 11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.727 -18.514 9.946 1.00 0.00 H new ATOM 840 N ALA A 58 -7.833 -18.193 10.304 1.00 0.00 N ATOM 841 CA ALA A 58 -9.216 -18.496 10.650 1.00 0.00 C ATOM 842 C ALA A 58 -10.047 -18.771 9.401 1.00 0.00 C ATOM 843 O ALA A 58 -9.543 -18.701 8.280 1.00 0.00 O ATOM 844 CB ALA A 58 -9.824 -17.352 11.448 1.00 0.00 C ATOM 0 H ALA A 58 -7.701 -17.292 9.845 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.221 -19.396 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.857 -17.592 11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.253 -17.204 12.364 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.798 -16.439 10.853 1.00 0.00 H new ATOM 850 N PHE A 59 -11.322 -19.086 9.602 1.00 0.00 N ATOM 851 CA PHE A 59 -12.223 -19.374 8.491 1.00 0.00 C ATOM 852 C PHE A 59 -12.503 -18.114 7.678 1.00 0.00 C ATOM 853 O PHE A 59 -12.169 -18.040 6.496 1.00 0.00 O ATOM 854 CB PHE A 59 -13.536 -19.962 9.011 1.00 0.00 C ATOM 855 CG PHE A 59 -13.355 -20.912 10.160 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.565 -22.042 10.024 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.973 -20.675 11.377 1.00 0.00 C ATOM 858 CE1 PHE A 59 -12.396 -22.919 11.079 1.00 0.00 C ATOM 859 CE2 PHE A 59 -13.808 -21.548 12.436 1.00 0.00 C ATOM 860 CZ PHE A 59 -13.018 -22.670 12.287 1.00 0.00 C ATOM 0 H PHE A 59 -11.755 -19.148 10.523 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.738 -20.104 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -14.191 -19.148 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.040 -20.482 8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.075 -22.240 9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.591 -19.798 11.500 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.779 -23.797 10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.297 -21.352 13.379 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.886 -23.352 13.114 1.00 0.00 H new ATOM 870 N GLU A 60 -13.119 -17.127 8.320 1.00 0.00 N ATOM 871 CA GLU A 60 -13.445 -15.871 7.656 1.00 0.00 C ATOM 872 C GLU A 60 -12.279 -14.890 7.743 1.00 0.00 C ATOM 873 O GLU A 60 -11.343 -15.088 8.517 1.00 0.00 O ATOM 874 CB GLU A 60 -14.697 -15.248 8.279 1.00 0.00 C ATOM 875 CG GLU A 60 -15.927 -16.136 8.190 1.00 0.00 C ATOM 876 CD GLU A 60 -16.367 -16.380 6.759 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.089 -15.519 5.898 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.988 -17.432 6.500 1.00 0.00 O ATOM 0 H GLU A 60 -13.402 -17.173 9.299 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.639 -16.086 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.497 -15.022 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.907 -14.300 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.716 -17.092 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.745 -15.675 8.744 1.00 0.00 H new ATOM 885 N LYS A 61 -12.343 -13.832 6.941 1.00 0.00 N ATOM 886 CA LYS A 61 -11.295 -12.819 6.926 1.00 0.00 C ATOM 887 C LYS A 61 -11.877 -11.437 6.648 1.00 0.00 C ATOM 888 O LYS A 61 -12.873 -11.303 5.936 1.00 0.00 O ATOM 889 CB LYS A 61 -10.241 -13.162 5.871 1.00 0.00 C ATOM 890 CG LYS A 61 -9.505 -14.462 6.146 1.00 0.00 C ATOM 891 CD LYS A 61 -8.605 -14.850 4.985 1.00 0.00 C ATOM 892 CE LYS A 61 -7.778 -16.085 5.309 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.630 -17.297 5.463 1.00 0.00 N ATOM 0 H LYS A 61 -13.110 -13.654 6.293 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.825 -12.804 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.723 -13.227 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.517 -12.349 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.907 -14.358 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.227 -15.258 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.212 -15.040 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.941 -14.019 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.048 -16.252 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.217 -15.916 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.537 -17.666 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.623 -17.048 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.325 -18.024 4.785 1.00 0.00 H new ATOM 907 N THR A 62 -11.249 -10.410 7.212 1.00 0.00 N ATOM 908 CA THR A 62 -11.705 -9.039 7.024 1.00 0.00 C ATOM 909 C THR A 62 -10.553 -8.128 6.615 1.00 0.00 C ATOM 910 O THR A 62 -9.822 -7.615 7.462 1.00 0.00 O ATOM 911 CB THR A 62 -12.354 -8.482 8.305 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.418 -9.342 8.729 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.892 -7.078 8.073 1.00 0.00 C ATOM 0 H THR A 62 -10.423 -10.502 7.803 1.00 0.00 H new ATOM 0 HA THR A 62 -12.449 -9.060 6.228 1.00 0.00 H new ATOM 0 HB THR A 62 -11.591 -8.438 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.824 -8.982 9.545 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.346 -6.706 8.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.075 -6.419 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.642 -7.102 7.282 1.00 0.00 H new ATOM 921 N VAL A 63 -10.397 -7.929 5.310 1.00 0.00 N ATOM 922 CA VAL A 63 -9.335 -7.078 4.788 1.00 0.00 C ATOM 923 C VAL A 63 -9.881 -5.725 4.346 1.00 0.00 C ATOM 924 O VAL A 63 -10.823 -5.651 3.556 1.00 0.00 O ATOM 925 CB VAL A 63 -8.616 -7.742 3.598 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.501 -6.847 3.080 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.075 -9.106 3.997 1.00 0.00 C ATOM 0 H VAL A 63 -10.993 -8.346 4.595 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.621 -6.931 5.599 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.337 -7.884 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.005 -7.333 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.920 -5.896 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.777 -6.670 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.570 -9.561 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.368 -8.991 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.899 -9.745 4.314 1.00 0.00 H new ATOM 937 N LYS A 64 -9.285 -4.655 4.861 1.00 0.00 N ATOM 938 CA LYS A 64 -9.710 -3.303 4.520 1.00 0.00 C ATOM 939 C LYS A 64 -8.529 -2.338 4.549 1.00 0.00 C ATOM 940 O LYS A 64 -7.682 -2.406 5.440 1.00 0.00 O ATOM 941 CB LYS A 64 -10.795 -2.827 5.489 1.00 0.00 C ATOM 942 CG LYS A 64 -12.156 -3.451 5.232 1.00 0.00 C ATOM 943 CD LYS A 64 -13.097 -3.237 6.405 1.00 0.00 C ATOM 944 CE LYS A 64 -14.169 -4.315 6.464 1.00 0.00 C ATOM 945 NZ LYS A 64 -14.738 -4.457 7.833 1.00 0.00 N ATOM 0 H LYS A 64 -8.505 -4.698 5.517 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.117 -3.321 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.486 -3.057 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.883 -1.743 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.591 -3.018 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.039 -4.519 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.528 -3.238 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.568 -2.258 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.967 -4.072 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.744 -5.267 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.428 -5.235 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.973 -4.663 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.211 -3.572 8.106 1.00 0.00 H new ATOM 959 N ILE A 65 -8.480 -1.440 3.570 1.00 0.00 N ATOM 960 CA ILE A 65 -7.404 -0.461 3.486 1.00 0.00 C ATOM 961 C ILE A 65 -7.785 0.835 4.194 1.00 0.00 C ATOM 962 O ILE A 65 -8.783 1.470 3.854 1.00 0.00 O ATOM 963 CB ILE A 65 -7.043 -0.146 2.022 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.334 -1.341 1.381 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.169 1.097 1.948 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.238 -1.927 2.243 1.00 0.00 C ATOM 0 H ILE A 65 -9.173 -1.371 2.825 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.537 -0.901 3.979 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.963 0.047 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.069 -2.116 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.908 -1.031 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.922 1.307 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.706 1.945 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.251 0.931 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.780 -2.770 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.482 -1.166 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.661 -2.268 3.188 1.00 0.00 H new ATOM 978 N ARG A 66 -6.981 1.223 5.179 1.00 0.00 N ATOM 979 CA ARG A 66 -7.232 2.444 5.934 1.00 0.00 C ATOM 980 C ARG A 66 -6.307 3.568 5.476 1.00 0.00 C ATOM 981 O ARG A 66 -5.162 3.660 5.917 1.00 0.00 O ATOM 982 CB ARG A 66 -7.042 2.191 7.431 1.00 0.00 C ATOM 983 CG ARG A 66 -7.915 3.070 8.313 1.00 0.00 C ATOM 984 CD ARG A 66 -9.375 2.649 8.248 1.00 0.00 C ATOM 985 NE ARG A 66 -10.120 3.073 9.430 1.00 0.00 N ATOM 986 CZ ARG A 66 -10.168 2.373 10.558 1.00 0.00 C ATOM 987 NH1 ARG A 66 -9.518 1.222 10.656 1.00 0.00 N ATOM 988 NH2 ARG A 66 -10.868 2.825 11.591 1.00 0.00 N ATOM 0 H ARG A 66 -6.150 0.709 5.472 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.263 2.748 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.261 1.145 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.996 2.357 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.565 3.015 9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.821 4.110 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.836 3.075 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.436 1.565 8.151 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.631 3.955 9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.979 0.872 9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.557 0.687 11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.370 3.710 11.519 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.905 2.287 12.457 1.00 0.00 H new ATOM 1002 N MET A 67 -6.812 4.418 4.588 1.00 0.00 N ATOM 1003 CA MET A 67 -6.031 5.535 4.071 1.00 0.00 C ATOM 1004 C MET A 67 -6.657 6.868 4.470 1.00 0.00 C ATOM 1005 O MET A 67 -7.880 7.017 4.469 1.00 0.00 O ATOM 1006 CB MET A 67 -5.921 5.447 2.547 1.00 0.00 C ATOM 1007 CG MET A 67 -5.254 6.657 1.915 1.00 0.00 C ATOM 1008 SD MET A 67 -4.337 6.242 0.419 1.00 0.00 S ATOM 1009 CE MET A 67 -5.509 6.732 -0.844 1.00 0.00 C ATOM 0 H MET A 67 -7.758 4.354 4.212 1.00 0.00 H new ATOM 0 HA MET A 67 -5.033 5.478 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.357 4.552 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.919 5.331 2.125 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.013 7.402 1.676 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.576 7.112 2.637 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.366 6.116 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.524 6.599 -0.470 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.351 7.780 -1.100 1.00 0.00 H new ATOM 1019 N THR A 68 -5.812 7.835 4.813 1.00 0.00 N ATOM 1020 CA THR A 68 -6.282 9.154 5.217 1.00 0.00 C ATOM 1021 C THR A 68 -5.748 10.237 4.286 1.00 0.00 C ATOM 1022 O THR A 68 -4.795 10.013 3.539 1.00 0.00 O ATOM 1023 CB THR A 68 -5.863 9.482 6.662 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.438 10.729 7.067 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.348 9.554 6.782 1.00 0.00 C ATOM 0 H THR A 68 -4.798 7.729 4.819 1.00 0.00 H new ATOM 0 HA THR A 68 -7.370 9.133 5.159 1.00 0.00 H new ATOM 0 HB THR A 68 -6.226 8.686 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.377 10.763 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.075 9.787 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.915 8.594 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.967 10.332 6.121 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.368 11.411 4.335 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.955 12.529 3.495 1.00 0.00 C ATOM 1035 C PHE A 69 -5.866 13.817 4.309 1.00 0.00 C ATOM 1036 O PHE A 69 -5.705 14.904 3.755 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.935 12.713 2.335 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.231 11.440 1.593 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.091 10.495 2.129 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.650 11.190 0.361 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.364 9.323 1.449 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.919 10.020 -0.324 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.779 9.086 0.220 1.00 0.00 C ATOM 0 H PHE A 69 -7.158 11.613 4.947 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.967 12.304 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.868 13.125 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.527 13.444 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.553 10.676 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.979 11.918 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.034 8.593 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.458 9.836 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.994 8.172 -0.314 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.973 13.685 5.627 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.904 14.837 6.518 1.00 0.00 C ATOM 1055 C ASP A 70 -4.972 14.560 7.693 1.00 0.00 C ATOM 1056 O ASP A 70 -5.420 14.365 8.824 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.300 15.195 7.032 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.200 15.732 5.937 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.274 15.096 4.865 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.830 16.789 6.151 1.00 0.00 O ATOM 0 H ASP A 70 -6.108 12.792 6.101 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.506 15.679 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.759 14.311 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.213 15.939 7.824 1.00 0.00 H new ATOM 1065 N THR A 71 -3.671 14.543 7.419 1.00 0.00 N ATOM 1066 CA THR A 71 -2.675 14.288 8.452 1.00 0.00 C ATOM 1067 C THR A 71 -3.202 13.308 9.493 1.00 0.00 C ATOM 1068 O THR A 71 -3.043 13.520 10.695 1.00 0.00 O ATOM 1069 CB THR A 71 -2.251 15.590 9.157 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.878 16.574 8.186 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.087 15.338 10.104 1.00 0.00 C ATOM 0 H THR A 71 -3.283 14.703 6.489 1.00 0.00 H new ATOM 0 HA THR A 71 -1.808 13.854 7.955 1.00 0.00 H new ATOM 0 HB THR A 71 -3.098 15.956 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.611 17.399 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.805 16.272 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.384 14.610 10.860 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.237 14.951 9.541 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.828 12.234 9.025 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.378 11.220 9.917 1.00 0.00 C ATOM 1081 C TRP A 72 -5.483 11.805 10.790 1.00 0.00 C ATOM 1082 O TRP A 72 -5.486 11.626 12.008 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.273 10.632 10.796 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.228 9.890 10.020 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.001 10.357 9.644 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.319 8.550 9.524 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.324 9.388 8.943 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.111 8.270 8.857 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.303 7.559 9.580 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -0.863 7.041 8.250 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.056 6.340 8.977 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -1.844 6.089 8.321 1.00 0.00 C ATOM 0 H TRP A 72 -3.967 12.043 8.033 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.807 10.426 9.305 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.797 11.437 11.355 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.720 9.958 11.526 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.619 11.343 9.865 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.612 9.485 8.550 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.240 7.742 10.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.070 6.846 7.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.810 5.568 9.012 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.680 5.125 7.862 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.421 12.504 10.161 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.533 13.115 10.880 1.00 0.00 C ATOM 1105 C LYS A 73 -8.868 12.573 10.379 1.00 0.00 C ATOM 1106 O LYS A 73 -9.810 12.406 11.152 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.496 14.636 10.721 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.352 15.298 11.469 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.716 16.706 11.912 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.539 17.709 10.782 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.274 18.977 11.046 1.00 0.00 N ATOM 0 H LYS A 73 -6.434 12.662 9.153 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.432 12.864 11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.416 14.880 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.439 15.053 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.090 14.698 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.470 15.333 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.750 16.724 12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.092 16.995 12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.479 17.924 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.894 17.271 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.128 19.634 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.289 18.775 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.918 19.408 11.923 1.00 0.00 H new ATOM 1125 N SER A 74 -8.940 12.298 9.080 1.00 0.00 N ATOM 1126 CA SER A 74 -10.160 11.777 8.476 1.00 0.00 C ATOM 1127 C SER A 74 -9.867 10.529 7.649 1.00 0.00 C ATOM 1128 O SER A 74 -9.543 10.618 6.464 1.00 0.00 O ATOM 1129 CB SER A 74 -10.814 12.844 7.596 1.00 0.00 C ATOM 1130 OG SER A 74 -12.112 12.444 7.190 1.00 0.00 O ATOM 0 H SER A 74 -8.168 12.428 8.426 1.00 0.00 H new ATOM 0 HA SER A 74 -10.847 11.507 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.874 13.785 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.194 13.026 6.718 1.00 0.00 H new ATOM 0 HG SER A 74 -12.510 13.143 6.630 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.982 9.367 8.282 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.727 8.100 7.607 1.00 0.00 C ATOM 1138 C TYR A 75 -11.035 7.386 7.277 1.00 0.00 C ATOM 1139 O TYR A 75 -12.047 7.573 7.953 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.848 7.202 8.478 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.433 6.925 9.845 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.633 6.239 9.983 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.785 7.350 10.998 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -11.171 5.985 11.230 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.315 7.099 12.249 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.508 6.416 12.360 1.00 0.00 C ATOM 1147 OH TYR A 75 -11.040 6.165 13.604 1.00 0.00 O ATOM 0 H TYR A 75 -10.250 9.276 9.262 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.205 8.313 6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.687 6.255 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.871 7.670 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.154 5.898 9.101 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.851 7.886 10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -12.106 5.452 11.319 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.798 7.436 13.135 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.449 6.534 14.293 1.00 0.00 H new ATOM 1157 N THR A 76 -11.005 6.565 6.231 1.00 0.00 N ATOM 1158 CA THR A 76 -12.186 5.822 5.810 1.00 0.00 C ATOM 1159 C THR A 76 -11.842 4.368 5.509 1.00 0.00 C ATOM 1160 O THR A 76 -10.917 4.083 4.748 1.00 0.00 O ATOM 1161 CB THR A 76 -12.831 6.454 4.561 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.177 7.818 4.826 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.073 5.681 4.145 1.00 0.00 C ATOM 0 H THR A 76 -10.176 6.398 5.661 1.00 0.00 H new ATOM 0 HA THR A 76 -12.896 5.861 6.636 1.00 0.00 H new ATOM 0 HB THR A 76 -12.109 6.415 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.585 8.213 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.511 6.145 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.801 4.651 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.798 5.693 4.959 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.593 3.451 6.110 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.368 2.025 5.906 1.00 0.00 C ATOM 1173 C ASP A 77 -12.978 1.563 4.586 1.00 0.00 C ATOM 1174 O ASP A 77 -14.199 1.486 4.447 1.00 0.00 O ATOM 1175 CB ASP A 77 -12.962 1.222 7.064 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.473 1.126 6.988 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.151 2.074 7.435 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -14.977 0.102 6.481 1.00 0.00 O ATOM 0 H ASP A 77 -13.363 3.670 6.742 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.292 1.854 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.537 0.218 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.678 1.687 8.008 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.120 1.258 3.618 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.573 0.805 2.308 1.00 0.00 C ATOM 1185 C PHE A 78 -12.547 -0.718 2.220 1.00 0.00 C ATOM 1186 O PHE A 78 -11.536 -1.364 2.495 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.699 1.407 1.206 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.522 2.893 1.326 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.553 3.756 0.993 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.323 3.428 1.770 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.394 5.125 1.102 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.158 4.796 1.882 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.194 5.645 1.546 1.00 0.00 C ATOM 0 H PHE A 78 -11.106 1.316 3.716 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.601 1.141 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.719 0.930 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.142 1.179 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.493 3.354 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.508 2.769 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.207 5.787 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.220 5.200 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.066 6.714 1.630 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.686 -1.307 1.826 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.821 -2.760 1.692 1.00 0.00 C ATOM 1205 C PRO A 79 -13.016 -3.311 0.519 1.00 0.00 C ATOM 1206 O PRO A 79 -13.095 -2.795 -0.596 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.320 -2.957 1.451 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.780 -1.671 0.857 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.931 -0.599 1.481 1.00 0.00 C ATOM 0 HA PRO A 79 -13.444 -3.287 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.506 -3.793 0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.845 -3.174 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.665 -1.679 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.837 -1.502 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.747 0.222 0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.408 -0.171 2.363 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.244 -4.360 0.779 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.424 -4.980 -0.256 1.00 0.00 C ATOM 1219 C CYS A 80 -12.237 -5.988 -1.062 1.00 0.00 C ATOM 1220 O CYS A 80 -13.417 -6.206 -0.790 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.211 -5.670 0.371 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.790 -4.580 0.622 1.00 0.00 S ATOM 0 H CYS A 80 -12.169 -4.799 1.697 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.079 -4.196 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.504 -6.094 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.910 -6.501 -0.266 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.692 -5.271 0.537 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.597 -6.597 -2.055 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.262 -7.580 -2.902 1.00 0.00 C ATOM 1230 C GLN A 81 -11.530 -8.917 -2.863 1.00 0.00 C ATOM 1231 O GLN A 81 -10.504 -9.055 -2.197 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.344 -7.071 -4.342 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.211 -5.833 -4.502 1.00 0.00 C ATOM 1234 CD GLN A 81 -13.657 -5.614 -5.934 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -14.836 -5.762 -6.259 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -12.716 -5.259 -6.801 1.00 0.00 N ATOM 0 H GLN A 81 -10.620 -6.427 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.272 -7.729 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.338 -6.848 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.738 -7.865 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.089 -5.924 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.656 -4.959 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.751 -5.147 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.958 -5.098 -7.779 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.064 -9.899 -3.581 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.462 -11.227 -3.626 1.00 0.00 C ATOM 1247 C TYR A 82 -10.829 -11.492 -4.989 1.00 0.00 C ATOM 1248 O TYR A 82 -11.471 -11.331 -6.027 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.513 -12.296 -3.323 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.986 -13.709 -3.428 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -12.012 -14.394 -4.636 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.461 -14.360 -2.318 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -11.532 -15.685 -4.736 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.978 -15.651 -2.409 1.00 0.00 C ATOM 1255 CZ TYR A 82 -11.016 -16.310 -3.620 1.00 0.00 C ATOM 1256 OH TYR A 82 -10.536 -17.596 -3.716 1.00 0.00 O ATOM 0 H TYR A 82 -12.912 -9.801 -4.139 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.680 -11.270 -2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.903 -12.136 -2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.349 -12.177 -4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.415 -13.908 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.430 -13.848 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.561 -16.203 -5.683 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.573 -16.142 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.207 -17.889 -2.840 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.564 -11.900 -4.977 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.843 -12.190 -6.211 1.00 0.00 C ATOM 1268 C VAL A 83 -9.166 -13.590 -6.720 1.00 0.00 C ATOM 1269 O VAL A 83 -8.954 -14.581 -6.021 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.320 -12.066 -6.013 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.586 -12.378 -7.308 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -6.960 -10.677 -5.508 1.00 0.00 C ATOM 0 H VAL A 83 -9.017 -12.037 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.167 -11.455 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.008 -12.793 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.512 -12.285 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.820 -13.395 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.900 -11.678 -8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.881 -10.607 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.285 -9.931 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.457 -10.496 -4.555 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.863 -17.152 0.480 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.676 -16.444 -0.502 1.00 0.00 C ATOM 1417 C ASP A 93 -5.123 -15.046 -0.760 1.00 0.00 C ATOM 1418 O ASP A 93 -4.140 -14.632 -0.144 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.126 -16.353 -0.025 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.697 -17.705 0.355 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.344 -18.705 -0.304 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.497 -17.762 1.312 1.00 0.00 O ATOM 0 HA ASP A 93 -5.644 -17.005 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.181 -15.684 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.737 -15.912 -0.812 1.00 0.00 H new ATOM 1427 N THR A 94 -5.760 -14.322 -1.674 1.00 0.00 N ATOM 1428 CA THR A 94 -5.331 -12.972 -2.015 1.00 0.00 C ATOM 1429 C THR A 94 -6.527 -12.048 -2.214 1.00 0.00 C ATOM 1430 O THR A 94 -7.521 -12.428 -2.834 1.00 0.00 O ATOM 1431 CB THR A 94 -4.470 -12.961 -3.293 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.426 -13.935 -3.188 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.866 -11.585 -3.527 1.00 0.00 C ATOM 0 H THR A 94 -6.576 -14.648 -2.192 1.00 0.00 H new ATOM 0 HA THR A 94 -4.732 -12.611 -1.179 1.00 0.00 H new ATOM 0 HB THR A 94 -5.112 -13.207 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.884 -13.923 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.263 -11.602 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.664 -10.851 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.238 -11.314 -2.679 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.426 -10.833 -1.686 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.500 -9.855 -1.805 1.00 0.00 C ATOM 1443 C PHE A 95 -7.001 -8.578 -2.474 1.00 0.00 C ATOM 1444 O PHE A 95 -5.972 -8.023 -2.087 1.00 0.00 O ATOM 1445 CB PHE A 95 -8.078 -9.530 -0.426 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.637 -10.728 0.287 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.794 -11.637 0.906 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -10.004 -10.944 0.339 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.305 -12.740 1.564 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.521 -12.045 0.996 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.670 -12.945 1.608 1.00 0.00 C ATOM 0 H PHE A 95 -5.610 -10.502 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.284 -10.287 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.298 -9.082 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.865 -8.784 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.726 -11.482 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.674 -10.244 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.637 -13.441 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.589 -12.201 1.031 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.071 -13.807 2.120 1.00 0.00 H new ATOM 1461 N SER A 96 -7.737 -8.117 -3.481 1.00 0.00 N ATOM 1462 CA SER A 96 -7.368 -6.908 -4.207 1.00 0.00 C ATOM 1463 C SER A 96 -8.098 -5.692 -3.645 1.00 0.00 C ATOM 1464 O SER A 96 -9.087 -5.826 -2.924 1.00 0.00 O ATOM 1465 CB SER A 96 -7.685 -7.065 -5.696 1.00 0.00 C ATOM 1466 OG SER A 96 -7.608 -5.820 -6.368 1.00 0.00 O ATOM 0 H SER A 96 -8.592 -8.563 -3.812 1.00 0.00 H new ATOM 0 HA SER A 96 -6.296 -6.754 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.986 -7.769 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.683 -7.485 -5.816 1.00 0.00 H new ATOM 0 HG SER A 96 -7.813 -5.948 -7.318 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.603 -4.506 -3.981 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.207 -3.265 -3.510 1.00 0.00 C ATOM 1474 C PHE A 97 -8.115 -2.176 -4.575 1.00 0.00 C ATOM 1475 O PHE A 97 -7.089 -2.028 -5.239 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.522 -2.795 -2.225 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.108 -2.333 -2.433 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.842 -1.032 -2.829 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.046 -3.199 -2.233 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.542 -0.605 -3.023 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.743 -2.777 -2.424 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.491 -1.478 -2.819 1.00 0.00 C ATOM 0 H PHE A 97 -6.786 -4.378 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.260 -3.459 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.102 -1.980 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.527 -3.610 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.659 -0.344 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.238 -4.216 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.348 0.411 -3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.924 -3.462 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.474 -1.145 -2.968 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.195 -1.419 -4.733 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.237 -0.343 -5.717 1.00 0.00 C ATOM 1494 C ASP A 98 -9.816 0.929 -5.107 1.00 0.00 C ATOM 1495 O ASP A 98 -11.034 1.109 -5.061 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.067 -0.766 -6.930 1.00 0.00 C ATOM 1497 CG ASP A 98 -9.584 -2.068 -7.537 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -9.894 -3.137 -6.972 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -8.895 -2.018 -8.578 1.00 0.00 O ATOM 0 H ASP A 98 -10.053 -1.530 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.216 -0.137 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.110 -0.872 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.028 0.020 -7.685 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.937 1.808 -4.639 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.361 3.064 -4.032 1.00 0.00 C ATOM 1506 C ILE A 99 -9.299 4.209 -5.036 1.00 0.00 C ATOM 1507 O ILE A 99 -8.369 4.296 -5.838 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.493 3.420 -2.810 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.688 2.386 -1.699 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.832 4.815 -2.308 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.469 2.203 -0.823 1.00 0.00 C ATOM 0 H ILE A 99 -7.926 1.674 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.392 2.925 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.446 3.408 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.530 2.688 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.950 1.428 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.211 5.052 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.646 5.541 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.883 4.853 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.680 1.456 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.629 1.871 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.218 3.150 -0.346 1.00 0.00 H new ATOM 1523 N SER A 100 -10.296 5.087 -4.986 1.00 0.00 N ATOM 1524 CA SER A 100 -10.356 6.227 -5.893 1.00 0.00 C ATOM 1525 C SER A 100 -9.820 7.487 -5.220 1.00 0.00 C ATOM 1526 O SER A 100 -10.351 7.935 -4.202 1.00 0.00 O ATOM 1527 CB SER A 100 -11.795 6.458 -6.361 1.00 0.00 C ATOM 1528 OG SER A 100 -12.680 6.557 -5.259 1.00 0.00 O ATOM 0 H SER A 100 -11.073 5.031 -4.327 1.00 0.00 H new ATOM 0 HA SER A 100 -9.731 6.005 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.845 7.371 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.106 5.638 -7.009 1.00 0.00 H new ATOM 0 HG SER A 100 -12.244 7.050 -4.533 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.765 8.054 -5.794 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.156 9.263 -5.250 1.00 0.00 C ATOM 1536 C LEU A 101 -9.154 10.416 -5.234 1.00 0.00 C ATOM 1537 O LEU A 101 -10.106 10.456 -6.013 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.924 9.650 -6.071 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.719 8.717 -5.954 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.631 9.125 -6.936 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.181 8.717 -4.530 1.00 0.00 C ATOM 0 H LEU A 101 -8.313 7.696 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.851 9.057 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.214 9.706 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.613 10.651 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.042 7.705 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.781 8.450 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.021 9.074 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.311 10.145 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.323 8.047 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.874 9.727 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.959 8.377 -3.847 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.931 11.379 -4.327 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.799 12.552 -4.189 1.00 0.00 C ATOM 1555 C PRO A 102 -9.678 13.505 -5.374 1.00 0.00 C ATOM 1556 O PRO A 102 -8.768 13.378 -6.193 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.289 13.222 -2.911 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.869 12.786 -2.795 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.815 11.396 -3.367 1.00 0.00 C ATOM 0 HA PRO A 102 -10.853 12.277 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.366 14.307 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.870 12.912 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.208 13.459 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.542 12.793 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.861 11.200 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.939 10.638 -2.594 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.826 15.594 4.397 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.182 14.287 4.359 1.00 0.00 C ATOM 1689 C ARG A 110 -1.167 13.209 3.913 1.00 0.00 C ATOM 1690 O ARG A 110 -2.328 13.209 4.321 1.00 0.00 O ATOM 1691 CB ARG A 110 0.387 13.934 5.734 1.00 0.00 C ATOM 1692 CG ARG A 110 1.621 13.049 5.674 1.00 0.00 C ATOM 1693 CD ARG A 110 2.868 13.853 5.343 1.00 0.00 C ATOM 1694 NE ARG A 110 3.095 13.943 3.903 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.799 14.912 3.330 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.343 15.869 4.070 1.00 0.00 N ATOM 1697 NH2 ARG A 110 3.962 14.926 2.013 1.00 0.00 N ATOM 0 HA ARG A 110 0.633 14.333 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.636 14.855 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.383 13.430 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.755 12.545 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.477 12.273 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.773 14.856 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.734 13.392 5.818 1.00 0.00 H new ATOM 0 HE ARG A 110 2.691 13.222 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.221 15.862 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.883 16.612 3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.546 14.192 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.503 15.671 1.574 1.00 0.00 H new ATOM 1711 N MET A 111 -0.694 12.294 3.073 1.00 0.00 N ATOM 1712 CA MET A 111 -1.533 11.211 2.572 1.00 0.00 C ATOM 1713 C MET A 111 -0.820 9.869 2.699 1.00 0.00 C ATOM 1714 O MET A 111 0.163 9.611 2.007 1.00 0.00 O ATOM 1715 CB MET A 111 -1.912 11.465 1.112 1.00 0.00 C ATOM 1716 CG MET A 111 -2.643 10.300 0.463 1.00 0.00 C ATOM 1717 SD MET A 111 -3.470 10.767 -1.070 1.00 0.00 S ATOM 1718 CE MET A 111 -2.075 10.873 -2.188 1.00 0.00 C ATOM 0 H MET A 111 0.265 12.281 2.725 1.00 0.00 H new ATOM 0 HA MET A 111 -2.441 11.178 3.175 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.541 12.354 1.058 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.008 11.679 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.933 9.499 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.379 9.903 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.110 11.821 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.147 10.811 -1.619 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.118 10.051 -2.902 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.323 9.019 3.589 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.733 7.703 3.806 1.00 0.00 C ATOM 1730 C GLU A 112 -1.816 6.645 3.995 1.00 0.00 C ATOM 1731 O GLU A 112 -2.990 6.968 4.174 1.00 0.00 O ATOM 1732 CB GLU A 112 0.189 7.729 5.027 1.00 0.00 C ATOM 1733 CG GLU A 112 1.040 8.984 5.121 1.00 0.00 C ATOM 1734 CD GLU A 112 2.395 8.821 4.460 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.878 7.673 4.371 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.971 9.843 4.031 1.00 0.00 O ATOM 0 H GLU A 112 -2.137 9.218 4.171 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.148 7.445 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.415 7.642 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.844 6.858 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.510 9.814 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.181 9.245 6.170 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.412 5.379 3.952 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.347 4.273 4.117 1.00 0.00 C ATOM 1745 C PHE A 113 -1.673 3.088 4.802 1.00 0.00 C ATOM 1746 O PHE A 113 -0.466 2.886 4.671 1.00 0.00 O ATOM 1747 CB PHE A 113 -2.904 3.841 2.758 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.023 2.864 2.033 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -1.833 1.583 2.527 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.385 3.226 0.857 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.024 0.681 1.862 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.576 2.328 0.188 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.394 1.055 0.691 1.00 0.00 C ATOM 0 H PHE A 113 -0.444 5.094 3.804 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.168 4.616 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.887 3.393 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.044 4.724 2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.323 1.286 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.522 4.221 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.885 -0.314 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.086 2.622 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.240 0.353 0.170 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.462 2.309 5.535 1.00 0.00 N ATOM 1764 CA ALA A 114 -1.942 1.143 6.240 1.00 0.00 C ATOM 1765 C ALA A 114 -2.911 -0.031 6.149 1.00 0.00 C ATOM 1766 O ALA A 114 -4.089 0.097 6.481 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.664 1.489 7.696 1.00 0.00 C ATOM 0 H ALA A 114 -3.463 2.464 5.656 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.008 0.846 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.276 0.610 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -0.929 2.292 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.588 1.813 8.176 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.407 -1.174 5.695 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.228 -2.371 5.560 1.00 0.00 C ATOM 1775 C VAL A 115 -3.792 -2.805 6.908 1.00 0.00 C ATOM 1776 O VAL A 115 -3.072 -2.861 7.905 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.425 -3.537 4.952 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.281 -4.792 4.877 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.897 -3.159 3.577 1.00 0.00 C ATOM 0 H VAL A 115 -1.434 -1.296 5.414 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.050 -2.118 4.890 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.573 -3.745 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.698 -5.605 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.606 -5.071 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.154 -4.600 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.332 -3.994 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.733 -2.923 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.247 -2.288 3.664 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.084 -3.113 6.931 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.746 -3.541 8.158 1.00 0.00 C ATOM 1791 C TYR A 116 -6.406 -4.904 7.973 1.00 0.00 C ATOM 1792 O TYR A 116 -7.519 -5.003 7.456 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.792 -2.509 8.584 1.00 0.00 C ATOM 1794 CG TYR A 116 -7.961 -3.107 9.334 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.758 -3.944 10.424 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.269 -2.832 8.953 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.824 -4.492 11.112 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.340 -3.375 9.636 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.113 -4.205 10.714 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.176 -4.748 11.397 1.00 0.00 O ATOM 0 H TYR A 116 -5.694 -3.074 6.114 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.990 -3.626 8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.314 -1.757 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.164 -1.994 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.750 -4.170 10.739 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.451 -2.183 8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.649 -5.142 11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.350 -3.151 9.327 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.015 -4.446 10.990 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.712 -5.952 8.402 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.228 -7.311 8.283 1.00 0.00 C ATOM 1812 C TYR A 117 -6.654 -7.853 9.644 1.00 0.00 C ATOM 1813 O TYR A 117 -5.828 -8.033 10.538 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.172 -8.228 7.665 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.507 -9.698 7.775 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.769 -10.171 7.436 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.562 -10.615 8.217 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -7.080 -11.513 7.536 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.863 -11.960 8.318 1.00 0.00 C ATOM 1820 CZ TYR A 117 -6.124 -12.404 7.977 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.429 -13.742 8.077 1.00 0.00 O ATOM 0 H TYR A 117 -4.791 -5.887 8.835 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.102 -7.284 7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -5.049 -7.970 6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.214 -8.045 8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.520 -9.477 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.574 -10.271 8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.067 -11.863 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.115 -12.660 8.662 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.934 -13.902 8.901 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.950 -8.111 9.793 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.486 -8.632 11.045 1.00 0.00 C ATOM 1833 C GLU A 118 -8.755 -10.130 10.939 1.00 0.00 C ATOM 1834 O GLU A 118 -9.268 -10.610 9.928 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.774 -7.896 11.419 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.018 -7.819 12.917 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.462 -9.144 13.504 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.561 -9.614 13.143 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.711 -9.711 14.326 1.00 0.00 O ATOM 0 H GLU A 118 -8.647 -7.968 9.063 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.743 -8.468 11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.736 -6.885 11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.619 -8.397 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.104 -7.494 13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.777 -7.064 13.119 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.405 -10.863 11.990 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.607 -12.307 12.017 1.00 0.00 C ATOM 1848 C CYS A 119 -8.280 -12.877 13.393 1.00 0.00 C ATOM 1849 O CYS A 119 -7.375 -12.399 14.075 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.741 -12.984 10.953 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.088 -14.744 10.729 1.00 0.00 S ATOM 0 H CYS A 119 -7.980 -10.481 12.835 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.657 -12.506 11.802 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.887 -12.472 10.002 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.692 -12.863 11.223 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.712 -15.399 11.787 1.00 0.00 H new ATOM 1857 N ASN A 120 -9.026 -13.901 13.796 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.817 -14.535 15.093 1.00 0.00 C ATOM 1859 C ASN A 120 -8.849 -13.501 16.215 1.00 0.00 C ATOM 1860 O ASN A 120 -8.114 -13.611 17.195 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.482 -15.282 15.110 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.493 -16.507 14.217 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.994 -16.354 12.996 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -7.945 -17.579 14.620 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.780 -14.309 13.244 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.626 -15.247 15.256 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.688 -14.608 14.788 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.250 -15.583 16.132 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.319 -17.651 15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.946 -18.395 14.008 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.707 -12.497 16.063 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.819 -11.459 17.071 1.00 0.00 C ATOM 1873 C GLY A 121 -8.555 -10.632 17.195 1.00 0.00 C ATOM 1874 O GLY A 121 -8.277 -10.067 18.252 1.00 0.00 O ATOM 0 H GLY A 121 -10.326 -12.384 15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.655 -10.805 16.823 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.047 -11.915 18.034 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.787 -10.562 16.112 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.543 -9.800 16.106 1.00 0.00 C ATOM 1880 C GLN A 122 -6.555 -8.748 15.002 1.00 0.00 C ATOM 1881 O GLN A 122 -7.262 -8.888 14.003 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.348 -10.736 15.922 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.254 -11.819 16.984 1.00 0.00 C ATOM 1884 CD GLN A 122 -3.868 -12.428 17.076 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -3.666 -13.594 16.737 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -2.904 -11.639 17.537 1.00 0.00 N ATOM 0 H GLN A 122 -8.004 -11.023 15.228 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.453 -9.292 17.066 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.413 -11.206 14.941 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.431 -10.147 15.933 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.527 -11.398 17.952 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.977 -12.604 16.762 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.116 -10.678 17.807 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.951 -11.994 17.621 1.00 0.00 H new ATOM 1895 N THR A 123 -5.769 -7.692 15.189 1.00 0.00 N ATOM 1896 CA THR A 123 -5.690 -6.616 14.210 1.00 0.00 C ATOM 1897 C THR A 123 -4.254 -6.400 13.745 1.00 0.00 C ATOM 1898 O THR A 123 -3.402 -5.956 14.514 1.00 0.00 O ATOM 1899 CB THR A 123 -6.235 -5.294 14.784 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.508 -5.516 15.401 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.372 -4.245 13.690 1.00 0.00 C ATOM 0 H THR A 123 -5.178 -7.560 16.010 1.00 0.00 H new ATOM 0 HA THR A 123 -6.303 -6.916 13.360 1.00 0.00 H new ATOM 0 HB THR A 123 -5.529 -4.929 15.530 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.847 -4.672 15.765 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.758 -3.320 14.119 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.396 -4.057 13.242 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.060 -4.605 12.925 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.993 -6.716 12.481 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.660 -6.558 11.913 1.00 0.00 C ATOM 1911 C TYR A 124 -2.570 -5.285 11.078 1.00 0.00 C ATOM 1912 O TYR A 124 -3.346 -5.087 10.142 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.301 -7.771 11.054 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.525 -9.094 11.751 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.676 -9.520 12.765 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.586 -9.919 11.396 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.877 -10.728 13.404 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.795 -11.128 12.030 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.937 -11.528 13.033 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.141 -12.732 13.668 1.00 0.00 O ATOM 0 H TYR A 124 -4.688 -7.083 11.831 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.950 -6.481 12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.894 -7.747 10.140 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.255 -7.699 10.757 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.845 -8.896 13.059 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.259 -9.609 10.610 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.207 -11.044 14.190 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.625 -11.756 11.742 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.930 -13.172 13.289 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.619 -4.425 11.422 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.426 -3.170 10.704 1.00 0.00 C ATOM 1932 C TRP A 125 -0.061 -3.134 10.028 1.00 0.00 C ATOM 1933 O TRP A 125 0.973 -3.102 10.696 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.567 -1.984 11.660 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.988 -1.689 12.035 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.627 -2.059 13.184 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.947 -0.964 11.257 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.924 -1.608 13.167 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.145 -0.932 11.996 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.908 -0.336 10.009 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.293 -0.299 11.526 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.048 0.291 9.543 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.227 0.307 10.301 1.00 0.00 C ATOM 0 H TRP A 125 -0.969 -4.573 12.194 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.194 -3.100 9.934 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.994 -2.186 12.565 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.130 -1.099 11.197 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -3.178 -2.623 13.988 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.611 -1.753 13.906 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.003 -0.341 9.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.203 -0.287 12.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.030 0.777 8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.101 0.808 9.910 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.063 -3.138 8.699 1.00 0.00 N ATOM 1955 CA ASP A 126 1.177 -3.105 7.932 1.00 0.00 C ATOM 1956 C ASP A 126 1.394 -1.729 7.310 1.00 0.00 C ATOM 1957 O ASP A 126 0.669 -1.327 6.401 1.00 0.00 O ATOM 1958 CB ASP A 126 1.156 -4.175 6.840 1.00 0.00 C ATOM 1959 CG ASP A 126 2.427 -4.185 6.014 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.540 -3.353 5.089 1.00 0.00 O ATOM 1961 OD2 ASP A 126 3.309 -5.023 6.293 1.00 0.00 O ATOM 0 H ASP A 126 -0.910 -3.164 8.131 1.00 0.00 H new ATOM 0 HA ASP A 126 2.002 -3.310 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.016 -5.154 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.302 -4.004 6.185 1.00 0.00 H new ATOM 1966 N SER A 127 2.396 -1.011 7.807 1.00 0.00 N ATOM 1967 CA SER A 127 2.706 0.322 7.304 1.00 0.00 C ATOM 1968 C SER A 127 4.201 0.468 7.036 1.00 0.00 C ATOM 1969 O SER A 127 4.976 0.779 7.938 1.00 0.00 O ATOM 1970 CB SER A 127 2.249 1.386 8.303 1.00 0.00 C ATOM 1971 OG SER A 127 3.108 1.431 9.429 1.00 0.00 O ATOM 0 H SER A 127 3.007 -1.330 8.558 1.00 0.00 H new ATOM 0 HA SER A 127 2.171 0.462 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.230 2.361 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.231 1.172 8.627 1.00 0.00 H new ATOM 0 HG SER A 127 4.025 1.613 9.134 1.00 0.00 H new ATOM 1977 N ASN A 128 4.597 0.240 5.788 1.00 0.00 N ATOM 1978 CA ASN A 128 5.998 0.346 5.399 1.00 0.00 C ATOM 1979 C ASN A 128 6.910 -0.186 6.502 1.00 0.00 C ATOM 1980 O ASN A 128 8.022 0.306 6.693 1.00 0.00 O ATOM 1981 CB ASN A 128 6.354 1.800 5.085 1.00 0.00 C ATOM 1982 CG ASN A 128 5.956 2.202 3.678 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.410 1.398 2.922 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.230 3.451 3.320 1.00 0.00 N ATOM 0 H ASN A 128 3.967 -0.019 5.029 1.00 0.00 H new ATOM 0 HA ASN A 128 6.147 -0.258 4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.858 2.455 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.427 1.944 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.987 3.779 2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.684 4.083 3.980 1.00 0.00 H new ATOM 1991 N ARG A 129 6.430 -1.193 7.224 1.00 0.00 N ATOM 1992 CA ARG A 129 7.201 -1.791 8.307 1.00 0.00 C ATOM 1993 C ARG A 129 8.065 -0.743 9.002 1.00 0.00 C ATOM 1994 O ARG A 129 9.187 -1.027 9.420 1.00 0.00 O ATOM 1995 CB ARG A 129 8.082 -2.921 7.772 1.00 0.00 C ATOM 1996 CG ARG A 129 7.405 -4.282 7.788 1.00 0.00 C ATOM 1997 CD ARG A 129 7.579 -4.974 9.131 1.00 0.00 C ATOM 1998 NE ARG A 129 8.963 -5.378 9.364 1.00 0.00 N ATOM 1999 CZ ARG A 129 9.449 -5.682 10.562 1.00 0.00 C ATOM 2000 NH1 ARG A 129 8.666 -5.628 11.631 1.00 0.00 N ATOM 2001 NH2 ARG A 129 10.719 -6.041 10.693 1.00 0.00 N ATOM 0 H ARG A 129 5.511 -1.612 7.079 1.00 0.00 H new ATOM 0 HA ARG A 129 6.500 -2.200 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.380 -2.685 6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.994 -2.972 8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.343 -4.164 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.823 -4.907 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.258 -4.304 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.933 -5.851 9.173 1.00 0.00 H new ATOM 0 HE ARG A 129 9.591 -5.430 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 129 7.689 -5.353 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 129 9.041 -5.862 12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.324 -6.084 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.091 -6.274 11.614 1.00 0.00 H new ATOM 2015 N GLY A 130 7.534 0.470 9.122 1.00 0.00 N ATOM 2016 CA GLY A 130 8.270 1.542 9.767 1.00 0.00 C ATOM 2017 C GLY A 130 7.390 2.728 10.106 1.00 0.00 C ATOM 2018 O GLY A 130 6.762 2.762 11.165 1.00 0.00 O ATOM 0 H GLY A 130 6.607 0.730 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.732 1.164 10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.078 1.869 9.112 1.00 0.00 H new ATOM 2022 N LYS A 131 7.343 3.705 9.206 1.00 0.00 N ATOM 2023 CA LYS A 131 6.533 4.899 9.415 1.00 0.00 C ATOM 2024 C LYS A 131 5.152 4.736 8.790 1.00 0.00 C ATOM 2025 O LYS A 131 4.166 4.510 9.491 1.00 0.00 O ATOM 2026 CB LYS A 131 7.232 6.124 8.820 1.00 0.00 C ATOM 2027 CG LYS A 131 8.264 6.745 9.746 1.00 0.00 C ATOM 2028 CD LYS A 131 7.646 7.811 10.635 1.00 0.00 C ATOM 2029 CE LYS A 131 7.138 7.221 11.941 1.00 0.00 C ATOM 2030 NZ LYS A 131 6.907 8.271 12.971 1.00 0.00 N ATOM 0 H LYS A 131 7.857 3.693 8.325 1.00 0.00 H new ATOM 0 HA LYS A 131 6.412 5.042 10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.719 5.837 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.482 6.874 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.712 5.968 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.067 7.184 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.385 8.583 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.823 8.294 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.209 6.681 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.860 6.496 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.561 7.829 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.799 8.770 13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.199 8.949 12.623 1.00 0.00 H new ATOM 2044 N ASN A 132 5.088 4.850 7.467 1.00 0.00 N ATOM 2045 CA ASN A 132 3.826 4.713 6.748 1.00 0.00 C ATOM 2046 C ASN A 132 4.049 4.788 5.241 1.00 0.00 C ATOM 2047 O ASN A 132 5.124 5.171 4.779 1.00 0.00 O ATOM 2048 CB ASN A 132 2.846 5.804 7.185 1.00 0.00 C ATOM 2049 CG ASN A 132 3.533 7.132 7.437 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.191 7.681 6.553 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.383 7.655 8.648 1.00 0.00 N ATOM 0 H ASN A 132 5.895 5.037 6.871 1.00 0.00 H new ATOM 0 HA ASN A 132 3.403 3.737 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.084 5.933 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.333 5.485 8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.822 8.547 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.829 7.165 9.350 1.00 0.00 H new ATOM 2058 N TYR A 133 3.025 4.420 4.479 1.00 0.00 N ATOM 2059 CA TYR A 133 3.108 4.444 3.023 1.00 0.00 C ATOM 2060 C TYR A 133 3.002 5.871 2.494 1.00 0.00 C ATOM 2061 O TYR A 133 1.907 6.366 2.228 1.00 0.00 O ATOM 2062 CB TYR A 133 2.004 3.578 2.414 1.00 0.00 C ATOM 2063 CG TYR A 133 2.396 2.128 2.242 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.419 1.763 1.376 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.743 1.123 2.946 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.780 0.439 1.216 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.098 -0.203 2.792 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.117 -0.540 1.926 1.00 0.00 C ATOM 2069 OH TYR A 133 3.474 -1.860 1.770 1.00 0.00 O ATOM 0 H TYR A 133 2.128 4.102 4.845 1.00 0.00 H new ATOM 0 HA TYR A 133 4.078 4.040 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.119 3.633 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.726 3.988 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.941 2.527 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.944 1.383 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.577 0.172 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.580 -0.972 3.347 1.00 0.00 H new ATOM 0 HH TYR A 133 2.910 -2.421 2.342 1.00 0.00 H new ATOM 2079 N ARG A 134 4.148 6.526 2.344 1.00 0.00 N ATOM 2080 CA ARG A 134 4.186 7.896 1.847 1.00 0.00 C ATOM 2081 C ARG A 134 3.841 7.946 0.361 1.00 0.00 C ATOM 2082 O ARG A 134 4.478 7.280 -0.456 1.00 0.00 O ATOM 2083 CB ARG A 134 5.567 8.509 2.082 1.00 0.00 C ATOM 2084 CG ARG A 134 5.797 9.804 1.321 1.00 0.00 C ATOM 2085 CD ARG A 134 6.967 10.588 1.895 1.00 0.00 C ATOM 2086 NE ARG A 134 8.230 10.236 1.251 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.420 10.476 1.788 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.511 11.065 2.973 1.00 0.00 N ATOM 2089 NH2 ARG A 134 10.524 10.125 1.141 1.00 0.00 N ATOM 0 H ARG A 134 5.063 6.130 2.560 1.00 0.00 H new ATOM 0 HA ARG A 134 3.442 8.474 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.695 8.697 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.330 7.787 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.987 9.581 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.895 10.415 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 134 6.783 11.655 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.041 10.398 2.966 1.00 0.00 H new ATOM 0 HE ARG A 134 8.196 9.781 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 134 8.665 11.335 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.427 11.248 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 134 10.459 9.670 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 134 11.438 10.310 1.554 1.00 0.00 H new ATOM 2103 N ILE A 135 2.831 8.738 0.020 1.00 0.00 N ATOM 2104 CA ILE A 135 2.403 8.874 -1.367 1.00 0.00 C ATOM 2105 C ILE A 135 2.687 10.276 -1.895 1.00 0.00 C ATOM 2106 O ILE A 135 2.131 11.259 -1.405 1.00 0.00 O ATOM 2107 CB ILE A 135 0.901 8.573 -1.525 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.573 7.190 -0.958 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.494 8.662 -2.988 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.899 6.848 -1.012 1.00 0.00 C ATOM 0 H ILE A 135 2.294 9.295 0.684 1.00 0.00 H new ATOM 0 HA ILE A 135 2.974 8.148 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 135 0.335 9.318 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.133 6.437 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.911 7.141 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.570 8.447 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.696 9.666 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.064 7.937 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.057 5.854 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.464 7.579 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.238 6.864 -2.048 1.00 0.00 H new ATOM 2122 N ILE A 136 3.555 10.360 -2.898 1.00 0.00 N ATOM 2123 CA ILE A 136 3.910 11.642 -3.494 1.00 0.00 C ATOM 2124 C ILE A 136 3.507 11.695 -4.964 1.00 0.00 C ATOM 2125 O ILE A 136 3.031 10.707 -5.524 1.00 0.00 O ATOM 2126 CB ILE A 136 5.421 11.917 -3.378 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.219 10.791 -4.038 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.821 12.071 -1.918 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.717 10.972 -3.937 1.00 0.00 C ATOM 0 H ILE A 136 4.025 9.556 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 136 3.366 12.408 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 136 5.646 12.849 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 136 5.944 9.843 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.939 10.726 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.892 12.265 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.274 12.904 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.585 11.155 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.218 10.137 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 136 8.005 11.904 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.009 11.006 -2.888 1.00 0.00 H new ATOM 2141 N ARG A 137 3.702 12.854 -5.584 1.00 0.00 N ATOM 2142 CA ARG A 137 3.359 13.037 -6.989 1.00 0.00 C ATOM 2143 C ARG A 137 4.525 12.639 -7.889 1.00 0.00 C ATOM 2144 O ARG A 137 5.643 12.432 -7.418 1.00 0.00 O ATOM 2145 CB ARG A 137 2.967 14.491 -7.256 1.00 0.00 C ATOM 2146 CG ARG A 137 1.958 14.653 -8.381 1.00 0.00 C ATOM 2147 CD ARG A 137 1.077 15.874 -8.167 1.00 0.00 C ATOM 2148 NE ARG A 137 0.485 16.347 -9.415 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.518 17.217 -9.470 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -1.037 17.705 -8.353 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.002 17.600 -10.645 1.00 0.00 N ATOM 0 H ARG A 137 4.096 13.681 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 137 2.510 12.392 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.553 14.920 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.864 15.061 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.483 14.744 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.336 13.760 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.285 15.630 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.668 16.674 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 137 0.862 15.990 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.667 17.413 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.807 18.373 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.604 17.226 -11.507 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.772 18.268 -10.686 1.00 0.00 H new ATOM 2165 N ALA A 138 4.256 12.535 -9.186 1.00 0.00 N ATOM 2166 CA ALA A 138 5.283 12.164 -10.152 1.00 0.00 C ATOM 2167 C ALA A 138 6.220 13.334 -10.434 1.00 0.00 C ATOM 2168 O ALA A 138 7.366 13.139 -10.837 1.00 0.00 O ATOM 2169 CB ALA A 138 4.642 11.676 -11.443 1.00 0.00 C ATOM 0 H ALA A 138 3.336 12.702 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 138 5.874 11.354 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.421 11.402 -12.155 1.00 0.00 H new ATOM 0 HB2 ALA A 138 4.020 10.806 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.026 12.470 -11.866 1.00 0.00 H new ATOM 2175 N GLU A 139 5.723 14.548 -10.220 1.00 0.00 N ATOM 2176 CA GLU A 139 6.517 15.749 -10.453 1.00 0.00 C ATOM 2177 C GLU A 139 7.454 16.019 -9.279 1.00 0.00 C ATOM 2178 O GLU A 139 8.474 16.693 -9.427 1.00 0.00 O ATOM 2179 CB GLU A 139 5.603 16.956 -10.678 1.00 0.00 C ATOM 2180 CG GLU A 139 4.621 17.195 -9.543 1.00 0.00 C ATOM 2181 CD GLU A 139 3.782 18.442 -9.750 1.00 0.00 C ATOM 2182 OE1 GLU A 139 4.272 19.546 -9.434 1.00 0.00 O ATOM 2183 OE2 GLU A 139 2.636 18.312 -10.228 1.00 0.00 O ATOM 0 H GLU A 139 4.776 14.726 -9.886 1.00 0.00 H new ATOM 0 HA GLU A 139 7.120 15.587 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.217 17.847 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.047 16.812 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.963 16.331 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.170 17.282 -8.605 1.00 0.00 H new