USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ -140:sc= 0.00848 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= -1.56 K(o=-1.5,f=-5.3!) USER MOD Set 2.1: A 109 ASN : amide:sc= -1.99 K(o=-2.2,f=-8.5!) USER MOD Set 2.2: A 111 SER OG : rot -160:sc= -0.203 USER MOD Set 3.1: A 94 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 97 HIS :FLIP no HD1:sc= -3.89 F(o=-5.3!,f=-3.9) USER MOD Set 4.1: A 53 SER OG : rot -157:sc= -0.11 USER MOD Set 4.2: A 56 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 176:sc= -1.83 USER MOD Single : A 12 SER OG : rot -165:sc= -1.2 USER MOD Single : A 13 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.4!) USER MOD Single : A 16 HIS : no HD1:sc= -9.04! C(o=-9!,f=-11!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=0.000435 X(o=0.00044,f=-0.15) USER MOD Single : A 36 HIS : no HD1:sc= -2.87 K(o=-2.9,f=-3.9!) USER MOD Single : A 38 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.6!) USER MOD Single : A 40 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 133:sc= -0.41! USER MOD Single : A 50 TYR OH : rot 15:sc= -0.174 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -81:sc= 0.902 USER MOD Single : A 58 GLN : amide:sc= -0.414 K(o=-0.41,f=-1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -179:sc= -1.29 (180deg=-1.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00892 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -111:sc= 0.935 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 75 ASN : amide:sc=-0.00766 X(o=-0.0077,f=0) USER MOD Single : A 78 CYS SG : rot 160:sc= -3.55! USER MOD Single : A 87 ASN : amide:sc=-0.00467 X(o=-0.0047,f=0.19) USER MOD Single : A 88 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.19) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.06 USER MOD Single : A 90 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 18:sc= -0.232 USER MOD Single : A 118 THR OG1 : rot -75:sc= 0.0554 USER MOD Single : A 119 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.31) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 10.020 -8.294 1.240 1.00 0.00 N ATOM 98 CA PRO A 6 9.293 -7.088 0.882 1.00 0.00 C ATOM 99 C PRO A 6 8.329 -7.353 -0.277 1.00 0.00 C ATOM 100 O PRO A 6 8.225 -8.481 -0.757 1.00 0.00 O ATOM 101 CB PRO A 6 10.366 -6.068 0.540 1.00 0.00 C ATOM 102 CG PRO A 6 11.630 -6.868 0.269 1.00 0.00 C ATOM 103 CD PRO A 6 11.406 -8.281 0.782 1.00 0.00 C ATOM 0 HA PRO A 6 8.659 -6.723 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.082 -5.480 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.516 -5.368 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.853 -6.880 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.485 -6.412 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.570 -9.018 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.093 -8.521 1.593 1.00 0.00 H new ATOM 111 N LYS A 7 7.649 -6.295 -0.692 1.00 0.00 N ATOM 112 CA LYS A 7 6.697 -6.398 -1.785 1.00 0.00 C ATOM 113 C LYS A 7 6.754 -5.123 -2.628 1.00 0.00 C ATOM 114 O LYS A 7 7.114 -4.059 -2.127 1.00 0.00 O ATOM 115 CB LYS A 7 5.300 -6.720 -1.251 1.00 0.00 C ATOM 116 CG LYS A 7 5.174 -8.205 -0.905 1.00 0.00 C ATOM 117 CD LYS A 7 5.532 -8.459 0.561 1.00 0.00 C ATOM 118 CE LYS A 7 4.271 -8.647 1.408 1.00 0.00 C ATOM 119 NZ LYS A 7 4.377 -9.873 2.230 1.00 0.00 N ATOM 0 H LYS A 7 7.738 -5.361 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 7 6.961 -7.227 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.098 -6.118 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.551 -6.452 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.155 -8.542 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.830 -8.789 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.161 -9.346 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.113 -7.622 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.127 -7.781 2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.397 -8.711 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.513 -9.986 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.492 -10.699 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.200 -9.797 2.862 1.00 0.00 H new ATOM 133 N LEU A 8 6.394 -5.272 -3.895 1.00 0.00 N ATOM 134 CA LEU A 8 6.399 -4.145 -4.812 1.00 0.00 C ATOM 135 C LEU A 8 4.958 -3.778 -5.171 1.00 0.00 C ATOM 136 O LEU A 8 4.104 -4.655 -5.296 1.00 0.00 O ATOM 137 CB LEU A 8 7.278 -4.447 -6.027 1.00 0.00 C ATOM 138 CG LEU A 8 8.584 -5.192 -5.741 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.763 -6.371 -6.699 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.779 -4.237 -5.778 1.00 0.00 C ATOM 0 H LEU A 8 6.097 -6.156 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 8 6.842 -3.270 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.695 -5.035 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.520 -3.505 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 8 8.530 -5.602 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.698 -6.883 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.931 -7.066 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.787 -6.005 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.694 -4.792 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.847 -3.778 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.648 -3.460 -5.025 1.00 0.00 H new ATOM 152 N LEU A 9 4.732 -2.482 -5.328 1.00 0.00 N ATOM 153 CA LEU A 9 3.409 -1.989 -5.671 1.00 0.00 C ATOM 154 C LEU A 9 3.285 -1.889 -7.193 1.00 0.00 C ATOM 155 O LEU A 9 4.078 -1.206 -7.840 1.00 0.00 O ATOM 156 CB LEU A 9 3.122 -0.675 -4.943 1.00 0.00 C ATOM 157 CG LEU A 9 3.453 -0.649 -3.449 1.00 0.00 C ATOM 158 CD1 LEU A 9 3.295 0.761 -2.877 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.616 -1.676 -2.684 1.00 0.00 C ATOM 0 H LEU A 9 5.443 -1.758 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 9 2.643 -2.687 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.685 0.119 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.065 -0.439 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 9 4.499 -0.931 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.536 0.752 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.970 1.442 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.267 1.096 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.871 -1.637 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.557 -1.450 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.823 -2.674 -3.070 1.00 0.00 H new ATOM 171 N TYR A 10 2.285 -2.580 -7.720 1.00 0.00 N ATOM 172 CA TYR A 10 2.047 -2.577 -9.153 1.00 0.00 C ATOM 173 C TYR A 10 0.983 -1.545 -9.531 1.00 0.00 C ATOM 174 O TYR A 10 0.201 -1.116 -8.684 1.00 0.00 O ATOM 175 CB TYR A 10 1.530 -3.975 -9.498 1.00 0.00 C ATOM 176 CG TYR A 10 1.553 -4.296 -10.993 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.681 -4.026 -11.740 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.444 -4.856 -11.596 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.703 -4.328 -13.148 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.466 -5.158 -13.004 1.00 0.00 C ATOM 181 CZ TYR A 10 1.594 -4.879 -13.710 1.00 0.00 C ATOM 182 OH TYR A 10 1.614 -5.164 -15.040 1.00 0.00 O ATOM 0 H TYR A 10 1.630 -3.146 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 10 2.960 -2.324 -9.692 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.131 -4.714 -8.969 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.508 -4.074 -9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.548 -3.588 -11.269 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.439 -5.067 -11.012 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.580 -4.122 -13.744 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.394 -5.596 -13.488 1.00 0.00 H new ATOM 0 HH TYR A 10 0.755 -5.554 -15.304 1.00 0.00 H new ATOM 192 N CYS A 11 0.987 -1.175 -10.803 1.00 0.00 N ATOM 193 CA CYS A 11 0.032 -0.202 -11.303 1.00 0.00 C ATOM 194 C CYS A 11 -0.456 -0.669 -12.676 1.00 0.00 C ATOM 195 O CYS A 11 -0.059 -0.116 -13.701 1.00 0.00 O ATOM 196 CB CYS A 11 0.633 1.204 -11.359 1.00 0.00 C ATOM 197 SG CYS A 11 -0.660 2.421 -11.799 1.00 0.00 S ATOM 0 H CYS A 11 1.637 -1.532 -11.503 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.815 -0.137 -10.620 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.071 1.460 -10.394 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.438 1.235 -12.093 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.160 3.620 -11.756 1.00 0.00 H new ATOM 203 N SER A 12 -1.310 -1.682 -12.652 1.00 0.00 N ATOM 204 CA SER A 12 -1.856 -2.229 -13.882 1.00 0.00 C ATOM 205 C SER A 12 -2.111 -1.104 -14.888 1.00 0.00 C ATOM 206 O SER A 12 -1.994 -1.308 -16.095 1.00 0.00 O ATOM 207 CB SER A 12 -3.147 -3.005 -13.614 1.00 0.00 C ATOM 208 OG SER A 12 -4.305 -2.195 -13.802 1.00 0.00 O ATOM 0 H SER A 12 -1.637 -2.138 -11.800 1.00 0.00 H new ATOM 0 HA SER A 12 -1.127 -2.923 -14.301 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.196 -3.868 -14.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.134 -3.389 -12.594 1.00 0.00 H new ATOM 0 HG SER A 12 -5.082 -2.637 -13.401 1.00 0.00 H new ATOM 214 N ASN A 13 -2.456 0.057 -14.352 1.00 0.00 N ATOM 215 CA ASN A 13 -2.729 1.215 -15.187 1.00 0.00 C ATOM 216 C ASN A 13 -1.713 1.265 -16.330 1.00 0.00 C ATOM 217 O ASN A 13 -2.072 1.090 -17.493 1.00 0.00 O ATOM 218 CB ASN A 13 -2.606 2.513 -14.387 1.00 0.00 C ATOM 219 CG ASN A 13 -3.634 3.545 -14.855 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.707 3.217 -15.334 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.248 4.807 -14.690 1.00 0.00 N ATOM 0 H ASN A 13 -2.553 0.221 -13.350 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.746 1.123 -15.569 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.750 2.306 -13.327 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.601 2.919 -14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.864 5.570 -14.971 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.336 5.012 -14.282 1.00 0.00 H new ATOM 228 N GLY A 14 -0.464 1.505 -15.958 1.00 0.00 N ATOM 229 CA GLY A 14 0.607 1.581 -16.937 1.00 0.00 C ATOM 230 C GLY A 14 1.621 0.454 -16.728 1.00 0.00 C ATOM 231 O GLY A 14 2.350 0.092 -17.650 1.00 0.00 O ATOM 0 H GLY A 14 -0.170 1.649 -14.992 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.191 1.519 -17.942 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.109 2.546 -16.859 1.00 0.00 H new ATOM 235 N GLY A 15 1.636 -0.067 -15.510 1.00 0.00 N ATOM 236 CA GLY A 15 2.549 -1.145 -15.168 1.00 0.00 C ATOM 237 C GLY A 15 3.902 -0.593 -14.715 1.00 0.00 C ATOM 238 O GLY A 15 4.879 -0.645 -15.461 1.00 0.00 O ATOM 0 H GLY A 15 1.031 0.237 -14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.117 -1.755 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.688 -1.796 -16.031 1.00 0.00 H new ATOM 242 N HIS A 16 3.917 -0.078 -13.494 1.00 0.00 N ATOM 243 CA HIS A 16 5.134 0.482 -12.933 1.00 0.00 C ATOM 244 C HIS A 16 5.198 0.173 -11.436 1.00 0.00 C ATOM 245 O HIS A 16 4.177 -0.118 -10.814 1.00 0.00 O ATOM 246 CB HIS A 16 5.233 1.979 -13.234 1.00 0.00 C ATOM 247 CG HIS A 16 5.122 2.318 -14.701 1.00 0.00 C ATOM 248 ND1 HIS A 16 3.993 2.040 -15.452 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.009 2.916 -15.547 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.203 2.455 -16.693 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.453 2.997 -16.750 1.00 0.00 N ATOM 0 H HIS A 16 3.105 -0.037 -12.878 1.00 0.00 H new ATOM 0 HA HIS A 16 6.002 0.018 -13.402 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.446 2.502 -12.690 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.184 2.353 -12.856 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.997 3.265 -15.283 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.507 2.378 -17.515 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.889 3.399 -17.580 1.00 0.00 H new ATOM 259 N PHE A 17 6.408 0.247 -10.900 1.00 0.00 N ATOM 260 CA PHE A 17 6.618 -0.021 -9.487 1.00 0.00 C ATOM 261 C PHE A 17 6.898 1.273 -8.720 1.00 0.00 C ATOM 262 O PHE A 17 7.610 2.148 -9.209 1.00 0.00 O ATOM 263 CB PHE A 17 7.840 -0.936 -9.383 1.00 0.00 C ATOM 264 CG PHE A 17 7.557 -2.396 -9.743 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.400 -2.985 -9.336 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.461 -3.105 -10.470 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.137 -4.339 -9.671 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.199 -4.460 -10.805 1.00 0.00 C ATOM 269 CZ PHE A 17 7.042 -5.048 -10.398 1.00 0.00 C ATOM 0 H PHE A 17 7.252 0.489 -11.419 1.00 0.00 H new ATOM 0 HA PHE A 17 5.727 -0.481 -9.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.623 -0.556 -10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.228 -0.892 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.682 -2.422 -8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.379 -2.637 -10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.218 -4.806 -9.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.918 -5.023 -11.382 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.842 -6.078 -10.652 1.00 0.00 H new ATOM 279 N LEU A 18 6.322 1.353 -7.529 1.00 0.00 N ATOM 280 CA LEU A 18 6.500 2.525 -6.689 1.00 0.00 C ATOM 281 C LEU A 18 7.866 2.453 -6.004 1.00 0.00 C ATOM 282 O LEU A 18 8.114 1.557 -5.198 1.00 0.00 O ATOM 283 CB LEU A 18 5.330 2.667 -5.714 1.00 0.00 C ATOM 284 CG LEU A 18 5.187 4.030 -5.033 1.00 0.00 C ATOM 285 CD1 LEU A 18 5.099 5.154 -6.068 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.995 4.041 -4.072 1.00 0.00 C ATOM 0 H LEU A 18 5.732 0.625 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 18 6.493 3.432 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.406 2.453 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.432 1.906 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 18 6.082 4.210 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.998 6.112 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.004 5.161 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.233 4.991 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.916 5.021 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.080 3.829 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.139 3.281 -3.304 1.00 0.00 H new ATOM 298 N ARG A 19 8.717 3.408 -6.350 1.00 0.00 N ATOM 299 CA ARG A 19 10.051 3.465 -5.778 1.00 0.00 C ATOM 300 C ARG A 19 10.225 4.746 -4.961 1.00 0.00 C ATOM 301 O ARG A 19 9.603 5.765 -5.257 1.00 0.00 O ATOM 302 CB ARG A 19 11.121 3.417 -6.871 1.00 0.00 C ATOM 303 CG ARG A 19 11.431 4.820 -7.397 1.00 0.00 C ATOM 304 CD ARG A 19 12.079 4.755 -8.782 1.00 0.00 C ATOM 305 NE ARG A 19 13.546 4.912 -8.662 1.00 0.00 N ATOM 306 CZ ARG A 19 14.341 5.325 -9.658 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.817 5.624 -10.854 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.661 5.438 -9.458 1.00 0.00 N ATOM 0 H ARG A 19 8.508 4.149 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 19 10.170 2.597 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.030 2.964 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.780 2.784 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.512 5.404 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.097 5.333 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.845 3.803 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.672 5.539 -9.420 1.00 0.00 H new ATOM 0 HE ARG A 19 13.979 4.692 -7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.812 5.537 -11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.423 5.938 -11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.060 5.210 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.267 5.752 -10.216 1.00 0.00 H new ATOM 322 N ILE A 20 11.073 4.653 -3.947 1.00 0.00 N ATOM 323 CA ILE A 20 11.336 5.792 -3.084 1.00 0.00 C ATOM 324 C ILE A 20 12.840 6.073 -3.063 1.00 0.00 C ATOM 325 O ILE A 20 13.619 5.269 -2.553 1.00 0.00 O ATOM 326 CB ILE A 20 10.734 5.564 -1.697 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.313 5.005 -1.801 1.00 0.00 C ATOM 328 CG2 ILE A 20 10.786 6.843 -0.859 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.665 4.894 -0.420 1.00 0.00 C ATOM 0 H ILE A 20 11.587 3.806 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 20 10.849 6.686 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 20 11.338 4.817 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.710 5.651 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.338 4.024 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.352 6.653 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.822 7.159 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.221 7.629 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.656 4.494 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.257 4.228 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.619 5.881 0.041 1.00 0.00 H new ATOM 341 N LEU A 21 13.204 7.218 -3.623 1.00 0.00 N ATOM 342 CA LEU A 21 14.600 7.615 -3.675 1.00 0.00 C ATOM 343 C LEU A 21 15.007 8.210 -2.325 1.00 0.00 C ATOM 344 O LEU A 21 14.159 8.689 -1.573 1.00 0.00 O ATOM 345 CB LEU A 21 14.848 8.551 -4.859 1.00 0.00 C ATOM 346 CG LEU A 21 14.203 8.140 -6.185 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.429 9.207 -7.258 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.699 6.764 -6.632 1.00 0.00 C ATOM 0 H LEU A 21 12.556 7.883 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 21 15.236 6.747 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.486 9.544 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.924 8.635 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 21 13.127 8.060 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.961 8.891 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.989 10.149 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.499 9.342 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.225 6.496 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.781 6.792 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.445 6.022 -5.875 1.00 0.00 H new ATOM 360 N PRO A 22 16.338 8.160 -2.052 1.00 0.00 N ATOM 361 CA PRO A 22 16.868 8.689 -0.807 1.00 0.00 C ATOM 362 C PRO A 22 16.894 10.218 -0.827 1.00 0.00 C ATOM 363 O PRO A 22 17.266 10.850 0.161 1.00 0.00 O ATOM 364 CB PRO A 22 18.250 8.072 -0.674 1.00 0.00 C ATOM 365 CG PRO A 22 18.629 7.593 -2.066 1.00 0.00 C ATOM 366 CD PRO A 22 17.371 7.601 -2.919 1.00 0.00 C ATOM 0 HA PRO A 22 16.250 8.436 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 22 18.969 8.802 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.241 7.244 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.389 8.243 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.054 6.590 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.505 8.206 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.110 6.595 -3.249 1.00 0.00 H new ATOM 374 N ASP A 23 16.495 10.770 -1.964 1.00 0.00 N ATOM 375 CA ASP A 23 16.469 12.213 -2.127 1.00 0.00 C ATOM 376 C ASP A 23 15.068 12.734 -1.800 1.00 0.00 C ATOM 377 O ASP A 23 14.801 13.928 -1.922 1.00 0.00 O ATOM 378 CB ASP A 23 16.797 12.612 -3.567 1.00 0.00 C ATOM 379 CG ASP A 23 18.269 12.939 -3.828 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.084 11.996 -3.742 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.545 14.126 -4.108 1.00 0.00 O ATOM 0 H ASP A 23 16.187 10.243 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 23 17.214 12.641 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.498 11.800 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.195 13.480 -3.834 1.00 0.00 H new ATOM 386 N GLY A 24 14.209 11.811 -1.391 1.00 0.00 N ATOM 387 CA GLY A 24 12.842 12.161 -1.045 1.00 0.00 C ATOM 388 C GLY A 24 11.974 12.283 -2.299 1.00 0.00 C ATOM 389 O GLY A 24 11.187 13.220 -2.425 1.00 0.00 O ATOM 0 H GLY A 24 14.434 10.821 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.425 11.403 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.831 13.104 -0.498 1.00 0.00 H new ATOM 393 N THR A 25 12.147 11.322 -3.195 1.00 0.00 N ATOM 394 CA THR A 25 11.388 11.310 -4.435 1.00 0.00 C ATOM 395 C THR A 25 10.632 9.988 -4.584 1.00 0.00 C ATOM 396 O THR A 25 11.126 8.937 -4.178 1.00 0.00 O ATOM 397 CB THR A 25 12.358 11.588 -5.585 1.00 0.00 C ATOM 398 OG1 THR A 25 12.570 12.996 -5.527 1.00 0.00 O ATOM 399 CG2 THR A 25 11.720 11.363 -6.957 1.00 0.00 C ATOM 0 H THR A 25 12.801 10.547 -3.087 1.00 0.00 H new ATOM 0 HA THR A 25 10.624 12.088 -4.439 1.00 0.00 H new ATOM 0 HB THR A 25 13.234 10.948 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.189 13.263 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.451 11.574 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.390 10.327 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.863 12.027 -7.073 1.00 0.00 H new ATOM 407 N VAL A 26 9.447 10.084 -5.167 1.00 0.00 N ATOM 408 CA VAL A 26 8.618 8.909 -5.375 1.00 0.00 C ATOM 409 C VAL A 26 8.054 8.933 -6.798 1.00 0.00 C ATOM 410 O VAL A 26 7.306 9.841 -7.157 1.00 0.00 O ATOM 411 CB VAL A 26 7.529 8.840 -4.302 1.00 0.00 C ATOM 412 CG1 VAL A 26 6.899 7.446 -4.249 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.082 9.244 -2.934 1.00 0.00 C ATOM 0 H VAL A 26 9.041 10.957 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 26 9.212 8.000 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 26 6.748 9.551 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.128 7.424 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.453 7.211 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.667 6.708 -4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.288 9.187 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.891 8.569 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.461 10.265 -2.982 1.00 0.00 H new ATOM 423 N ASP A 27 8.435 7.925 -7.568 1.00 0.00 N ATOM 424 CA ASP A 27 7.977 7.819 -8.943 1.00 0.00 C ATOM 425 C ASP A 27 7.864 6.342 -9.326 1.00 0.00 C ATOM 426 O ASP A 27 8.439 5.480 -8.664 1.00 0.00 O ATOM 427 CB ASP A 27 8.963 8.484 -9.905 1.00 0.00 C ATOM 428 CG ASP A 27 10.103 9.252 -9.234 1.00 0.00 C ATOM 429 OD1 ASP A 27 10.964 8.577 -8.630 1.00 0.00 O ATOM 430 OD2 ASP A 27 10.088 10.497 -9.340 1.00 0.00 O ATOM 0 H ASP A 27 9.056 7.174 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 27 7.011 8.318 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.392 7.717 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.413 9.170 -10.549 1.00 0.00 H new ATOM 435 N GLY A 28 7.120 6.096 -10.395 1.00 0.00 N ATOM 436 CA GLY A 28 6.925 4.738 -10.874 1.00 0.00 C ATOM 437 C GLY A 28 8.056 4.323 -11.818 1.00 0.00 C ATOM 438 O GLY A 28 8.654 5.166 -12.485 1.00 0.00 O ATOM 0 H GLY A 28 6.645 6.814 -10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.883 4.052 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.969 4.665 -11.392 1.00 0.00 H new ATOM 442 N THR A 29 8.313 3.024 -11.845 1.00 0.00 N ATOM 443 CA THR A 29 9.361 2.486 -12.696 1.00 0.00 C ATOM 444 C THR A 29 9.121 0.998 -12.962 1.00 0.00 C ATOM 445 O THR A 29 8.576 0.293 -12.115 1.00 0.00 O ATOM 446 CB THR A 29 10.707 2.774 -12.029 1.00 0.00 C ATOM 447 OG1 THR A 29 11.633 2.801 -13.111 1.00 0.00 O ATOM 448 CG2 THR A 29 11.189 1.613 -11.156 1.00 0.00 C ATOM 0 H THR A 29 7.814 2.328 -11.291 1.00 0.00 H new ATOM 0 HA THR A 29 9.359 2.964 -13.676 1.00 0.00 H new ATOM 0 HB THR A 29 10.624 3.675 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.532 2.984 -12.767 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.148 1.870 -10.706 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.459 1.422 -10.369 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.303 0.719 -11.770 1.00 0.00 H new ATOM 456 N ARG A 30 9.540 0.566 -14.142 1.00 0.00 N ATOM 457 CA ARG A 30 9.378 -0.825 -14.530 1.00 0.00 C ATOM 458 C ARG A 30 10.697 -1.383 -15.068 1.00 0.00 C ATOM 459 O ARG A 30 10.727 -2.000 -16.132 1.00 0.00 O ATOM 460 CB ARG A 30 8.295 -0.975 -15.600 1.00 0.00 C ATOM 461 CG ARG A 30 8.075 0.342 -16.347 1.00 0.00 C ATOM 462 CD ARG A 30 7.405 0.100 -17.701 1.00 0.00 C ATOM 463 NE ARG A 30 7.921 1.062 -18.700 1.00 0.00 N ATOM 464 CZ ARG A 30 9.152 1.009 -19.227 1.00 0.00 C ATOM 465 NH1 ARG A 30 10.000 0.042 -18.852 1.00 0.00 N ATOM 466 NH2 ARG A 30 9.535 1.924 -20.128 1.00 0.00 N ATOM 0 H ARG A 30 9.991 1.154 -14.842 1.00 0.00 H new ATOM 0 HA ARG A 30 9.078 -1.384 -13.644 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.582 -1.754 -16.306 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.362 -1.294 -15.136 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.456 1.007 -15.745 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.031 0.844 -16.495 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.597 -0.920 -18.034 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.324 0.207 -17.606 1.00 0.00 H new ATOM 0 HE ARG A 30 7.301 1.812 -19.007 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.709 -0.654 -18.165 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.937 0.002 -19.253 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.890 2.661 -20.413 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.472 1.884 -20.529 1.00 0.00 H new ATOM 480 N ASP A 31 11.756 -1.148 -14.308 1.00 0.00 N ATOM 481 CA ASP A 31 13.075 -1.620 -14.695 1.00 0.00 C ATOM 482 C ASP A 31 13.453 -2.826 -13.832 1.00 0.00 C ATOM 483 O ASP A 31 14.356 -3.585 -14.183 1.00 0.00 O ATOM 484 CB ASP A 31 14.133 -0.535 -14.481 1.00 0.00 C ATOM 485 CG ASP A 31 15.257 -0.515 -15.518 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.615 -1.616 -15.989 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.733 0.602 -15.817 1.00 0.00 O ATOM 0 H ASP A 31 11.728 -0.637 -13.426 1.00 0.00 H new ATOM 0 HA ASP A 31 13.042 -1.887 -15.751 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.640 0.437 -14.483 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.573 -0.668 -13.493 1.00 0.00 H new ATOM 492 N ARG A 32 12.745 -2.964 -12.722 1.00 0.00 N ATOM 493 CA ARG A 32 12.995 -4.065 -11.807 1.00 0.00 C ATOM 494 C ARG A 32 14.390 -3.936 -11.191 1.00 0.00 C ATOM 495 O ARG A 32 14.523 -3.728 -9.986 1.00 0.00 O ATOM 496 CB ARG A 32 12.884 -5.412 -12.523 1.00 0.00 C ATOM 497 CG ARG A 32 11.458 -5.962 -12.439 1.00 0.00 C ATOM 498 CD ARG A 32 11.465 -7.454 -12.102 1.00 0.00 C ATOM 499 NE ARG A 32 11.750 -8.246 -13.320 1.00 0.00 N ATOM 500 CZ ARG A 32 12.141 -9.528 -13.308 1.00 0.00 C ATOM 501 NH1 ARG A 32 12.295 -10.170 -12.142 1.00 0.00 N ATOM 502 NH2 ARG A 32 12.378 -10.167 -14.462 1.00 0.00 N ATOM 0 H ARG A 32 11.998 -2.332 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 32 12.241 -4.021 -11.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.172 -5.297 -13.568 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.579 -6.123 -12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.898 -5.417 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.946 -5.802 -13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.217 -7.660 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.501 -7.746 -11.686 1.00 0.00 H new ATOM 0 HE ARG A 32 11.642 -7.787 -14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.115 -9.683 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.593 -11.146 -12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.261 -9.678 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.676 -11.143 -14.453 1.00 0.00 H new ATOM 516 N SER A 33 15.394 -4.067 -12.045 1.00 0.00 N ATOM 517 CA SER A 33 16.773 -3.968 -11.600 1.00 0.00 C ATOM 518 C SER A 33 16.894 -2.908 -10.503 1.00 0.00 C ATOM 519 O SER A 33 17.709 -3.044 -9.591 1.00 0.00 O ATOM 520 CB SER A 33 17.706 -3.633 -12.766 1.00 0.00 C ATOM 521 OG SER A 33 18.894 -4.420 -12.742 1.00 0.00 O ATOM 0 H SER A 33 15.280 -4.241 -13.044 1.00 0.00 H new ATOM 0 HA SER A 33 17.072 -4.936 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.182 -3.796 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.970 -2.576 -12.727 1.00 0.00 H new ATOM 0 HG SER A 33 19.462 -4.178 -13.503 1.00 0.00 H new ATOM 527 N ASP A 34 16.072 -1.877 -10.627 1.00 0.00 N ATOM 528 CA ASP A 34 16.077 -0.795 -9.657 1.00 0.00 C ATOM 529 C ASP A 34 16.151 -1.381 -8.246 1.00 0.00 C ATOM 530 O ASP A 34 15.352 -2.245 -7.886 1.00 0.00 O ATOM 531 CB ASP A 34 14.798 0.039 -9.756 1.00 0.00 C ATOM 532 CG ASP A 34 14.999 1.550 -9.625 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.177 1.960 -9.538 1.00 0.00 O ATOM 534 OD2 ASP A 34 13.971 2.261 -9.615 1.00 0.00 O ATOM 0 H ASP A 34 15.398 -1.768 -11.385 1.00 0.00 H new ATOM 0 HA ASP A 34 16.939 -0.160 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.321 -0.167 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.107 -0.289 -8.979 1.00 0.00 H new ATOM 539 N GLN A 35 17.117 -0.889 -7.485 1.00 0.00 N ATOM 540 CA GLN A 35 17.306 -1.353 -6.122 1.00 0.00 C ATOM 541 C GLN A 35 16.725 -0.342 -5.131 1.00 0.00 C ATOM 542 O GLN A 35 17.270 -0.147 -4.046 1.00 0.00 O ATOM 543 CB GLN A 35 18.785 -1.616 -5.832 1.00 0.00 C ATOM 544 CG GLN A 35 19.345 -2.691 -6.766 1.00 0.00 C ATOM 545 CD GLN A 35 19.138 -4.089 -6.179 1.00 0.00 C ATOM 546 OE1 GLN A 35 19.504 -4.378 -5.052 1.00 0.00 O ATOM 547 NE2 GLN A 35 18.531 -4.937 -7.004 1.00 0.00 N ATOM 0 H GLN A 35 17.778 -0.173 -7.787 1.00 0.00 H new ATOM 0 HA GLN A 35 16.773 -2.296 -6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.352 -0.693 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.905 -1.931 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.856 -2.625 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.408 -2.516 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 35 18.250 -4.630 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.346 -5.895 -6.706 1.00 0.00 H new ATOM 556 N HIS A 36 15.625 0.273 -5.541 1.00 0.00 N ATOM 557 CA HIS A 36 14.963 1.259 -4.703 1.00 0.00 C ATOM 558 C HIS A 36 13.447 1.134 -4.862 1.00 0.00 C ATOM 559 O HIS A 36 12.704 2.050 -4.514 1.00 0.00 O ATOM 560 CB HIS A 36 15.477 2.667 -5.011 1.00 0.00 C ATOM 561 CG HIS A 36 16.971 2.825 -4.850 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.883 2.247 -5.716 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.700 3.500 -3.916 1.00 0.00 C ATOM 564 CE1 HIS A 36 19.104 2.567 -5.311 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.988 3.343 -4.195 1.00 0.00 N ATOM 0 H HIS A 36 15.176 0.108 -6.442 1.00 0.00 H new ATOM 0 HA HIS A 36 15.200 1.069 -3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.203 2.927 -6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.974 3.378 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.297 4.066 -3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.028 2.266 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.763 3.738 -3.663 1.00 0.00 H new ATOM 573 N ILE A 37 13.032 -0.009 -5.390 1.00 0.00 N ATOM 574 CA ILE A 37 11.618 -0.267 -5.600 1.00 0.00 C ATOM 575 C ILE A 37 11.126 -1.271 -4.556 1.00 0.00 C ATOM 576 O ILE A 37 9.926 -1.380 -4.311 1.00 0.00 O ATOM 577 CB ILE A 37 11.362 -0.705 -7.043 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.318 -1.826 -7.454 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.432 0.488 -7.999 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.918 -2.420 -8.806 1.00 0.00 C ATOM 0 H ILE A 37 13.651 -0.767 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 37 11.040 0.646 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 37 10.351 -1.107 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.335 -1.439 -7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.315 -2.608 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.246 0.149 -9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.678 1.224 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.421 0.942 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.614 -3.215 -9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.909 -2.828 -8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.945 -1.641 -9.568 1.00 0.00 H new ATOM 592 N GLN A 38 12.079 -1.980 -3.968 1.00 0.00 N ATOM 593 CA GLN A 38 11.758 -2.972 -2.956 1.00 0.00 C ATOM 594 C GLN A 38 11.224 -2.290 -1.695 1.00 0.00 C ATOM 595 O GLN A 38 11.998 -1.800 -0.874 1.00 0.00 O ATOM 596 CB GLN A 38 12.975 -3.841 -2.635 1.00 0.00 C ATOM 597 CG GLN A 38 13.049 -5.048 -3.572 1.00 0.00 C ATOM 598 CD GLN A 38 13.665 -6.256 -2.863 1.00 0.00 C ATOM 599 OE1 GLN A 38 13.825 -6.284 -1.654 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.002 -7.250 -3.681 1.00 0.00 N ATOM 0 H GLN A 38 13.074 -1.887 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 38 10.980 -3.625 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.885 -3.248 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.921 -4.182 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.049 -5.300 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.643 -4.795 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.841 -7.162 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.422 -8.100 -3.305 1.00 0.00 H new ATOM 609 N LEU A 39 9.904 -2.279 -1.581 1.00 0.00 N ATOM 610 CA LEU A 39 9.257 -1.665 -0.434 1.00 0.00 C ATOM 611 C LEU A 39 8.718 -2.760 0.489 1.00 0.00 C ATOM 612 O LEU A 39 8.306 -3.821 0.024 1.00 0.00 O ATOM 613 CB LEU A 39 8.192 -0.666 -0.891 1.00 0.00 C ATOM 614 CG LEU A 39 8.699 0.542 -1.682 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.549 1.482 -2.044 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.814 1.265 -0.923 1.00 0.00 C ATOM 0 H LEU A 39 9.265 -2.686 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 39 9.977 -1.086 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.464 -1.197 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.662 -0.302 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 39 9.127 0.183 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.937 2.332 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.820 0.947 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.069 1.838 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.157 2.119 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.435 1.611 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.646 0.580 -0.759 1.00 0.00 H new ATOM 628 N GLN A 40 8.738 -2.464 1.780 1.00 0.00 N ATOM 629 CA GLN A 40 8.257 -3.410 2.772 1.00 0.00 C ATOM 630 C GLN A 40 6.906 -2.955 3.328 1.00 0.00 C ATOM 631 O GLN A 40 6.817 -1.918 3.983 1.00 0.00 O ATOM 632 CB GLN A 40 9.278 -3.593 3.897 1.00 0.00 C ATOM 633 CG GLN A 40 9.811 -5.027 3.926 1.00 0.00 C ATOM 634 CD GLN A 40 9.572 -5.673 5.292 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.632 -5.355 6.002 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.474 -6.594 5.619 1.00 0.00 N ATOM 0 H GLN A 40 9.080 -1.582 2.162 1.00 0.00 H new ATOM 0 HA GLN A 40 8.122 -4.377 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.105 -2.897 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.816 -3.354 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.322 -5.616 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.878 -5.027 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.236 -6.812 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.403 -7.083 6.512 1.00 0.00 H new ATOM 645 N LEU A 41 5.887 -3.753 3.045 1.00 0.00 N ATOM 646 CA LEU A 41 4.544 -3.445 3.508 1.00 0.00 C ATOM 647 C LEU A 41 4.296 -4.150 4.843 1.00 0.00 C ATOM 648 O LEU A 41 4.642 -5.320 5.005 1.00 0.00 O ATOM 649 CB LEU A 41 3.514 -3.788 2.430 1.00 0.00 C ATOM 650 CG LEU A 41 3.284 -2.721 1.358 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.888 -3.150 0.019 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.798 -2.380 1.233 1.00 0.00 C ATOM 0 H LEU A 41 5.964 -4.612 2.501 1.00 0.00 H new ATOM 0 HA LEU A 41 4.438 -2.375 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.826 -4.709 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.562 -3.995 2.918 1.00 0.00 H new ATOM 0 HG LEU A 41 3.798 -1.811 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.711 -2.374 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.961 -3.302 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.423 -4.080 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.663 -1.619 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.241 -3.276 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.430 -2.002 2.187 1.00 0.00 H new ATOM 664 N SER A 42 3.698 -3.410 5.765 1.00 0.00 N ATOM 665 CA SER A 42 3.399 -3.950 7.080 1.00 0.00 C ATOM 666 C SER A 42 2.037 -3.440 7.558 1.00 0.00 C ATOM 667 O SER A 42 1.541 -2.429 7.064 1.00 0.00 O ATOM 668 CB SER A 42 4.488 -3.578 8.088 1.00 0.00 C ATOM 669 OG SER A 42 5.795 -3.714 7.537 1.00 0.00 O ATOM 0 H SER A 42 3.412 -2.441 5.627 1.00 0.00 H new ATOM 0 HA SER A 42 3.367 -5.037 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.339 -2.550 8.419 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.398 -4.213 8.969 1.00 0.00 H new ATOM 0 HG SER A 42 6.462 -3.466 8.211 1.00 0.00 H new ATOM 675 N ALA A 43 1.472 -4.165 8.513 1.00 0.00 N ATOM 676 CA ALA A 43 0.178 -3.799 9.062 1.00 0.00 C ATOM 677 C ALA A 43 0.337 -3.456 10.545 1.00 0.00 C ATOM 678 O ALA A 43 0.916 -4.229 11.306 1.00 0.00 O ATOM 679 CB ALA A 43 -0.816 -4.939 8.831 1.00 0.00 C ATOM 0 H ALA A 43 1.887 -5.003 8.920 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.216 -2.916 8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.787 -4.664 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.915 -5.124 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.455 -5.842 9.324 1.00 0.00 H new ATOM 685 N GLU A 44 -0.188 -2.296 10.911 1.00 0.00 N ATOM 686 CA GLU A 44 -0.111 -1.841 12.289 1.00 0.00 C ATOM 687 C GLU A 44 -1.507 -1.806 12.914 1.00 0.00 C ATOM 688 O GLU A 44 -1.684 -2.190 14.069 1.00 0.00 O ATOM 689 CB GLU A 44 0.564 -0.471 12.377 1.00 0.00 C ATOM 690 CG GLU A 44 -0.086 0.392 13.461 1.00 0.00 C ATOM 691 CD GLU A 44 0.869 1.490 13.934 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.050 1.153 14.167 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.396 2.641 14.052 1.00 0.00 O ATOM 0 H GLU A 44 -0.668 -1.657 10.277 1.00 0.00 H new ATOM 0 HA GLU A 44 0.500 -2.547 12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.624 -0.597 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.495 0.035 11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.000 0.842 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.373 -0.234 14.306 1.00 0.00 H new ATOM 700 N SER A 45 -2.464 -1.341 12.124 1.00 0.00 N ATOM 701 CA SER A 45 -3.838 -1.251 12.586 1.00 0.00 C ATOM 702 C SER A 45 -4.773 -1.927 11.581 1.00 0.00 C ATOM 703 O SER A 45 -4.376 -2.214 10.453 1.00 0.00 O ATOM 704 CB SER A 45 -4.253 0.206 12.799 1.00 0.00 C ATOM 705 OG SER A 45 -3.127 1.061 12.977 1.00 0.00 O ATOM 0 H SER A 45 -2.314 -1.023 11.167 1.00 0.00 H new ATOM 0 HA SER A 45 -3.911 -1.765 13.544 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.835 0.546 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.902 0.274 13.672 1.00 0.00 H new ATOM 0 HG SER A 45 -3.228 1.857 12.414 1.00 0.00 H new ATOM 711 N VAL A 46 -5.999 -2.163 12.027 1.00 0.00 N ATOM 712 CA VAL A 46 -6.993 -2.800 11.182 1.00 0.00 C ATOM 713 C VAL A 46 -7.297 -1.894 9.987 1.00 0.00 C ATOM 714 O VAL A 46 -7.790 -0.780 10.157 1.00 0.00 O ATOM 715 CB VAL A 46 -8.238 -3.142 12.004 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.423 -3.469 11.094 1.00 0.00 C ATOM 717 CG2 VAL A 46 -7.956 -4.293 12.972 1.00 0.00 C ATOM 0 H VAL A 46 -6.325 -1.924 12.963 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.611 -3.742 10.788 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.501 -2.264 12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.294 -3.708 11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.646 -2.608 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.174 -4.324 10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.857 -4.516 13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.655 -5.177 12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.155 -4.007 13.654 1.00 0.00 H new ATOM 727 N GLY A 47 -6.989 -2.405 8.804 1.00 0.00 N ATOM 728 CA GLY A 47 -7.223 -1.656 7.581 1.00 0.00 C ATOM 729 C GLY A 47 -6.112 -0.631 7.345 1.00 0.00 C ATOM 730 O GLY A 47 -6.220 0.214 6.458 1.00 0.00 O ATOM 0 H GLY A 47 -6.579 -3.329 8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.276 -2.341 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.185 -1.148 7.640 1.00 0.00 H new ATOM 734 N GLU A 48 -5.069 -0.739 8.156 1.00 0.00 N ATOM 735 CA GLU A 48 -3.939 0.168 8.046 1.00 0.00 C ATOM 736 C GLU A 48 -2.675 -0.603 7.663 1.00 0.00 C ATOM 737 O GLU A 48 -2.450 -1.713 8.143 1.00 0.00 O ATOM 738 CB GLU A 48 -3.733 0.946 9.347 1.00 0.00 C ATOM 739 CG GLU A 48 -4.944 1.830 9.655 1.00 0.00 C ATOM 740 CD GLU A 48 -4.564 2.970 10.603 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.669 2.748 11.828 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.178 4.037 10.080 1.00 0.00 O ATOM 0 H GLU A 48 -4.983 -1.440 8.891 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.153 0.890 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.568 0.250 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.838 1.563 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.344 2.241 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.734 1.227 10.103 1.00 0.00 H new ATOM 749 N VAL A 49 -1.881 0.016 6.801 1.00 0.00 N ATOM 750 CA VAL A 49 -0.645 -0.598 6.347 1.00 0.00 C ATOM 751 C VAL A 49 0.462 0.457 6.316 1.00 0.00 C ATOM 752 O VAL A 49 0.188 1.644 6.145 1.00 0.00 O ATOM 753 CB VAL A 49 -0.864 -1.276 4.993 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.999 -2.299 5.069 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.130 -0.241 3.898 1.00 0.00 C ATOM 0 H VAL A 49 -2.070 0.937 6.405 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.330 -1.379 7.039 1.00 0.00 H new ATOM 0 HB VAL A 49 0.050 -1.810 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.134 -2.766 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.752 -3.063 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.922 -1.798 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.282 -0.749 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.022 0.333 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.276 0.431 3.818 1.00 0.00 H new ATOM 765 N TYR A 50 1.689 -0.013 6.483 1.00 0.00 N ATOM 766 CA TYR A 50 2.839 0.875 6.476 1.00 0.00 C ATOM 767 C TYR A 50 3.841 0.466 5.395 1.00 0.00 C ATOM 768 O TYR A 50 4.183 -0.709 5.273 1.00 0.00 O ATOM 769 CB TYR A 50 3.498 0.724 7.849 1.00 0.00 C ATOM 770 CG TYR A 50 3.167 1.855 8.825 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.479 3.160 8.501 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.558 1.570 10.030 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.169 4.224 9.420 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.247 2.634 10.949 1.00 0.00 C ATOM 775 CZ TYR A 50 2.568 3.908 10.599 1.00 0.00 C ATOM 776 OH TYR A 50 2.274 4.913 11.467 1.00 0.00 O ATOM 0 H TYR A 50 1.912 -0.998 6.624 1.00 0.00 H new ATOM 0 HA TYR A 50 2.530 1.900 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.187 -0.224 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.579 0.675 7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.956 3.383 7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.315 0.549 10.284 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.408 5.249 9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.770 2.425 11.895 1.00 0.00 H new ATOM 0 HH TYR A 50 2.334 5.774 11.003 1.00 0.00 H new ATOM 786 N ILE A 51 4.284 1.459 4.637 1.00 0.00 N ATOM 787 CA ILE A 51 5.240 1.217 3.570 1.00 0.00 C ATOM 788 C ILE A 51 6.575 1.874 3.929 1.00 0.00 C ATOM 789 O ILE A 51 6.627 3.071 4.208 1.00 0.00 O ATOM 790 CB ILE A 51 4.671 1.676 2.226 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.175 1.368 2.130 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.457 1.070 1.062 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.600 1.850 0.797 1.00 0.00 C ATOM 0 H ILE A 51 3.998 2.433 4.741 1.00 0.00 H new ATOM 0 HA ILE A 51 5.428 0.149 3.462 1.00 0.00 H new ATOM 0 HB ILE A 51 4.782 2.758 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.014 0.295 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.647 1.850 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.032 1.412 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.499 1.383 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.401 -0.017 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.536 1.619 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.741 2.927 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.113 1.348 -0.023 1.00 0.00 H new ATOM 805 N LYS A 52 7.621 1.062 3.910 1.00 0.00 N ATOM 806 CA LYS A 52 8.953 1.548 4.230 1.00 0.00 C ATOM 807 C LYS A 52 9.951 0.997 3.210 1.00 0.00 C ATOM 808 O LYS A 52 9.850 -0.158 2.799 1.00 0.00 O ATOM 809 CB LYS A 52 9.309 1.218 5.681 1.00 0.00 C ATOM 810 CG LYS A 52 10.784 1.515 5.964 1.00 0.00 C ATOM 811 CD LYS A 52 11.281 0.718 7.171 1.00 0.00 C ATOM 812 CE LYS A 52 12.321 -0.322 6.751 1.00 0.00 C ATOM 813 NZ LYS A 52 12.514 -1.325 7.822 1.00 0.00 N ATOM 0 H LYS A 52 7.574 0.070 3.678 1.00 0.00 H new ATOM 0 HA LYS A 52 8.990 2.635 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.681 1.801 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.101 0.167 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.383 1.267 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.915 2.581 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.716 1.396 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.440 0.221 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.999 -0.817 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.268 0.171 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.223 -2.023 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.842 -0.850 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.613 -1.807 8.012 1.00 0.00 H new ATOM 827 N SER A 53 10.892 1.849 2.831 1.00 0.00 N ATOM 828 CA SER A 53 11.908 1.462 1.868 1.00 0.00 C ATOM 829 C SER A 53 12.981 0.611 2.551 1.00 0.00 C ATOM 830 O SER A 53 13.618 1.057 3.504 1.00 0.00 O ATOM 831 CB SER A 53 12.543 2.690 1.212 1.00 0.00 C ATOM 832 OG SER A 53 12.354 2.700 -0.200 1.00 0.00 O ATOM 0 H SER A 53 10.972 2.806 3.174 1.00 0.00 H new ATOM 0 HA SER A 53 11.429 0.873 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.112 3.594 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.610 2.709 1.435 1.00 0.00 H new ATOM 0 HG SER A 53 13.044 3.256 -0.618 1.00 0.00 H new ATOM 838 N THR A 54 13.147 -0.599 2.037 1.00 0.00 N ATOM 839 CA THR A 54 14.131 -1.517 2.586 1.00 0.00 C ATOM 840 C THR A 54 15.523 -1.194 2.040 1.00 0.00 C ATOM 841 O THR A 54 16.508 -1.818 2.434 1.00 0.00 O ATOM 842 CB THR A 54 13.672 -2.943 2.277 1.00 0.00 C ATOM 843 OG1 THR A 54 13.714 -3.021 0.855 1.00 0.00 O ATOM 844 CG2 THR A 54 12.198 -3.171 2.620 1.00 0.00 C ATOM 0 H THR A 54 12.617 -0.965 1.246 1.00 0.00 H new ATOM 0 HA THR A 54 14.209 -1.414 3.668 1.00 0.00 H new ATOM 0 HB THR A 54 14.287 -3.651 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.905 -2.613 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.924 -4.199 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.040 -2.991 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.579 -2.486 2.040 1.00 0.00 H new ATOM 852 N GLU A 55 15.561 -0.222 1.141 1.00 0.00 N ATOM 853 CA GLU A 55 16.816 0.191 0.537 1.00 0.00 C ATOM 854 C GLU A 55 17.342 1.456 1.217 1.00 0.00 C ATOM 855 O GLU A 55 18.348 1.413 1.923 1.00 0.00 O ATOM 856 CB GLU A 55 16.655 0.404 -0.970 1.00 0.00 C ATOM 857 CG GLU A 55 17.933 0.982 -1.581 1.00 0.00 C ATOM 858 CD GLU A 55 19.009 -0.097 -1.724 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.711 -1.109 -2.395 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.104 0.115 -1.160 1.00 0.00 O ATOM 0 H GLU A 55 14.742 0.292 0.816 1.00 0.00 H new ATOM 0 HA GLU A 55 17.546 -0.605 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.414 -0.544 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.820 1.079 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.711 1.411 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.306 1.792 -0.954 1.00 0.00 H new ATOM 867 N THR A 56 16.638 2.553 0.980 1.00 0.00 N ATOM 868 CA THR A 56 17.022 3.828 1.561 1.00 0.00 C ATOM 869 C THR A 56 16.769 3.825 3.070 1.00 0.00 C ATOM 870 O THR A 56 17.703 3.955 3.860 1.00 0.00 O ATOM 871 CB THR A 56 16.265 4.932 0.821 1.00 0.00 C ATOM 872 OG1 THR A 56 14.912 4.484 0.819 1.00 0.00 O ATOM 873 CG2 THR A 56 16.635 5.004 -0.662 1.00 0.00 C ATOM 0 H THR A 56 15.804 2.585 0.394 1.00 0.00 H new ATOM 0 HA THR A 56 18.090 4.010 1.443 1.00 0.00 H new ATOM 0 HB THR A 56 16.471 5.892 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.350 5.142 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.069 5.804 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.702 5.204 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.398 4.055 -1.143 1.00 0.00 H new ATOM 881 N GLY A 57 15.502 3.673 3.425 1.00 0.00 N ATOM 882 CA GLY A 57 15.114 3.651 4.825 1.00 0.00 C ATOM 883 C GLY A 57 14.126 4.776 5.138 1.00 0.00 C ATOM 884 O GLY A 57 14.198 5.393 6.200 1.00 0.00 O ATOM 0 H GLY A 57 14.730 3.564 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.663 2.688 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.999 3.754 5.453 1.00 0.00 H new ATOM 888 N GLN A 58 13.225 5.009 4.195 1.00 0.00 N ATOM 889 CA GLN A 58 12.224 6.049 4.357 1.00 0.00 C ATOM 890 C GLN A 58 10.818 5.453 4.255 1.00 0.00 C ATOM 891 O GLN A 58 10.650 4.326 3.793 1.00 0.00 O ATOM 892 CB GLN A 58 12.422 7.166 3.330 1.00 0.00 C ATOM 893 CG GLN A 58 13.908 7.451 3.110 1.00 0.00 C ATOM 894 CD GLN A 58 14.121 8.333 1.877 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.735 9.386 1.934 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.580 7.846 0.764 1.00 0.00 N ATOM 0 H GLN A 58 13.168 4.495 3.316 1.00 0.00 H new ATOM 0 HA GLN A 58 12.341 6.487 5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.959 6.882 2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.921 8.072 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.322 7.944 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.448 6.512 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.079 6.958 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.666 8.361 -0.112 1.00 0.00 H new ATOM 905 N TYR A 59 9.844 6.237 4.695 1.00 0.00 N ATOM 906 CA TYR A 59 8.459 5.801 4.659 1.00 0.00 C ATOM 907 C TYR A 59 7.675 6.553 3.582 1.00 0.00 C ATOM 908 O TYR A 59 7.875 7.751 3.386 1.00 0.00 O ATOM 909 CB TYR A 59 7.874 6.142 6.031 1.00 0.00 C ATOM 910 CG TYR A 59 8.743 5.693 7.207 1.00 0.00 C ATOM 911 CD1 TYR A 59 9.486 4.534 7.113 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.785 6.448 8.362 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.305 4.112 8.221 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.603 6.026 9.469 1.00 0.00 C ATOM 915 CZ TYR A 59 10.323 4.879 9.344 1.00 0.00 C ATOM 916 OH TYR A 59 11.095 4.480 10.389 1.00 0.00 O ATOM 0 H TYR A 59 9.987 7.171 5.078 1.00 0.00 H new ATOM 0 HA TYR A 59 8.397 4.737 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.725 7.220 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.891 5.679 6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.454 3.943 6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.204 7.355 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.891 3.207 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.644 6.607 10.378 1.00 0.00 H new ATOM 0 HH TYR A 59 11.011 5.124 11.123 1.00 0.00 H new ATOM 926 N LEU A 60 6.799 5.820 2.912 1.00 0.00 N ATOM 927 CA LEU A 60 5.984 6.403 1.860 1.00 0.00 C ATOM 928 C LEU A 60 4.850 7.214 2.489 1.00 0.00 C ATOM 929 O LEU A 60 3.959 6.653 3.125 1.00 0.00 O ATOM 930 CB LEU A 60 5.501 5.319 0.893 1.00 0.00 C ATOM 931 CG LEU A 60 4.739 5.811 -0.339 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.700 6.147 -1.481 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.675 4.798 -0.766 1.00 0.00 C ATOM 0 H LEU A 60 6.635 4.827 3.077 1.00 0.00 H new ATOM 0 HA LEU A 60 6.576 7.094 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.367 4.748 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.859 4.630 1.442 1.00 0.00 H new ATOM 0 HG LEU A 60 4.220 6.732 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.132 6.494 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.387 6.930 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.267 5.257 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.148 5.172 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.153 3.848 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.965 4.651 0.048 1.00 0.00 H new ATOM 945 N ALA A 61 4.920 8.522 2.291 1.00 0.00 N ATOM 946 CA ALA A 61 3.911 9.417 2.832 1.00 0.00 C ATOM 947 C ALA A 61 3.496 10.422 1.755 1.00 0.00 C ATOM 948 O ALA A 61 4.281 10.740 0.863 1.00 0.00 O ATOM 949 CB ALA A 61 4.454 10.100 4.088 1.00 0.00 C ATOM 0 H ALA A 61 5.660 8.984 1.763 1.00 0.00 H new ATOM 0 HA ALA A 61 3.021 8.859 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.697 10.771 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.706 9.345 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.347 10.671 3.834 1.00 0.00 H new ATOM 955 N MET A 62 2.264 10.893 1.873 1.00 0.00 N ATOM 956 CA MET A 62 1.736 11.855 0.921 1.00 0.00 C ATOM 957 C MET A 62 1.707 13.262 1.522 1.00 0.00 C ATOM 958 O MET A 62 1.322 13.440 2.676 1.00 0.00 O ATOM 959 CB MET A 62 0.319 11.445 0.513 1.00 0.00 C ATOM 960 CG MET A 62 -0.187 12.303 -0.649 1.00 0.00 C ATOM 961 SD MET A 62 0.422 11.654 -2.196 1.00 0.00 S ATOM 962 CE MET A 62 -0.546 10.158 -2.308 1.00 0.00 C ATOM 0 H MET A 62 1.616 10.626 2.614 1.00 0.00 H new ATOM 0 HA MET A 62 2.387 11.867 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.310 10.394 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.353 11.548 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.277 12.316 -0.654 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.144 13.334 -0.522 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.276 9.617 -3.215 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.348 9.531 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.606 10.412 -2.339 1.00 0.00 H new ATOM 972 N ASP A 63 2.119 14.225 0.711 1.00 0.00 N ATOM 973 CA ASP A 63 2.146 15.611 1.148 1.00 0.00 C ATOM 974 C ASP A 63 0.818 16.280 0.789 1.00 0.00 C ATOM 975 O ASP A 63 -0.129 15.609 0.381 1.00 0.00 O ATOM 976 CB ASP A 63 3.268 16.386 0.455 1.00 0.00 C ATOM 977 CG ASP A 63 4.468 16.720 1.344 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.228 17.004 2.537 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.598 16.683 0.810 1.00 0.00 O ATOM 0 H ASP A 63 2.437 14.073 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 63 2.313 15.621 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.618 15.805 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.857 17.315 0.061 1.00 0.00 H new ATOM 984 N THR A 64 0.790 17.594 0.954 1.00 0.00 N ATOM 985 CA THR A 64 -0.406 18.361 0.652 1.00 0.00 C ATOM 986 C THR A 64 -0.496 18.641 -0.850 1.00 0.00 C ATOM 987 O THR A 64 -1.575 18.919 -1.370 1.00 0.00 O ATOM 988 CB THR A 64 -0.382 19.631 1.505 1.00 0.00 C ATOM 989 OG1 THR A 64 0.781 20.325 1.062 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.102 19.339 2.981 1.00 0.00 C ATOM 0 H THR A 64 1.577 18.147 1.293 1.00 0.00 H new ATOM 0 HA THR A 64 -1.307 17.801 0.901 1.00 0.00 H new ATOM 0 HB THR A 64 -1.336 20.149 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.872 21.163 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.096 20.274 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.879 18.684 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.868 18.851 3.078 1.00 0.00 H new ATOM 998 N ASP A 65 0.653 18.556 -1.505 1.00 0.00 N ATOM 999 CA ASP A 65 0.718 18.796 -2.936 1.00 0.00 C ATOM 1000 C ASP A 65 0.192 17.567 -3.680 1.00 0.00 C ATOM 1001 O ASP A 65 0.106 17.569 -4.907 1.00 0.00 O ATOM 1002 CB ASP A 65 2.158 19.042 -3.389 1.00 0.00 C ATOM 1003 CG ASP A 65 2.899 20.140 -2.622 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.379 20.537 -1.557 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.968 20.557 -3.118 1.00 0.00 O ATOM 0 H ASP A 65 1.546 18.324 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 65 0.115 19.677 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.717 18.111 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.151 19.301 -4.448 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.146 16.547 -2.905 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.661 15.313 -3.475 1.00 0.00 C ATOM 1012 C GLY A 66 0.478 14.423 -3.976 1.00 0.00 C ATOM 1013 O GLY A 66 0.240 13.314 -4.453 1.00 0.00 O ATOM 0 H GLY A 66 -0.073 16.549 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.243 14.777 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.337 15.543 -4.299 1.00 0.00 H new ATOM 1017 N LEU A 67 1.690 14.943 -3.852 1.00 0.00 N ATOM 1018 CA LEU A 67 2.867 14.209 -4.287 1.00 0.00 C ATOM 1019 C LEU A 67 3.331 13.284 -3.161 1.00 0.00 C ATOM 1020 O LEU A 67 3.041 13.530 -1.991 1.00 0.00 O ATOM 1021 CB LEU A 67 3.949 15.174 -4.776 1.00 0.00 C ATOM 1022 CG LEU A 67 3.622 15.960 -6.048 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.585 15.222 -6.897 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.180 17.385 -5.713 1.00 0.00 C ATOM 0 H LEU A 67 1.883 15.863 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 67 2.627 13.576 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.161 15.885 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.863 14.606 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 67 4.530 16.037 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.370 15.802 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.976 14.245 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.669 15.093 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.954 17.922 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.290 17.352 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.981 17.899 -5.181 1.00 0.00 H new ATOM 1036 N LEU A 68 4.044 12.238 -3.553 1.00 0.00 N ATOM 1037 CA LEU A 68 4.551 11.275 -2.590 1.00 0.00 C ATOM 1038 C LEU A 68 5.996 11.629 -2.234 1.00 0.00 C ATOM 1039 O LEU A 68 6.765 12.054 -3.095 1.00 0.00 O ATOM 1040 CB LEU A 68 4.380 9.850 -3.118 1.00 0.00 C ATOM 1041 CG LEU A 68 2.967 9.268 -3.033 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.829 8.031 -3.923 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.580 8.976 -1.582 1.00 0.00 C ATOM 0 H LEU A 68 4.282 12.036 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 68 3.974 11.320 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.698 9.829 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.055 9.196 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 68 2.267 10.015 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.816 7.637 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.033 8.303 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.540 7.270 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.572 8.563 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.280 8.257 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.612 9.899 -1.004 1.00 0.00 H new ATOM 1055 N TYR A 69 6.322 11.441 -0.964 1.00 0.00 N ATOM 1056 CA TYR A 69 7.661 11.736 -0.483 1.00 0.00 C ATOM 1057 C TYR A 69 8.027 10.840 0.703 1.00 0.00 C ATOM 1058 O TYR A 69 7.151 10.250 1.333 1.00 0.00 O ATOM 1059 CB TYR A 69 7.631 13.192 -0.016 1.00 0.00 C ATOM 1060 CG TYR A 69 6.915 13.403 1.319 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.475 12.923 2.486 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.710 14.074 1.358 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.802 13.122 3.743 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.036 14.273 2.615 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.616 13.787 3.746 1.00 0.00 C ATOM 1066 OH TYR A 69 4.979 13.974 4.933 1.00 0.00 O ATOM 0 H TYR A 69 5.682 11.088 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 69 8.397 11.564 -1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.655 13.556 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.141 13.797 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.418 12.398 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.272 14.450 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.230 12.751 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.092 14.796 2.659 1.00 0.00 H new ATOM 0 HH TYR A 69 4.144 14.465 4.783 1.00 0.00 H new ATOM 1076 N GLY A 70 9.323 10.768 0.971 1.00 0.00 N ATOM 1077 CA GLY A 70 9.815 9.955 2.069 1.00 0.00 C ATOM 1078 C GLY A 70 9.974 10.790 3.342 1.00 0.00 C ATOM 1079 O GLY A 70 10.576 11.863 3.313 1.00 0.00 O ATOM 0 H GLY A 70 10.047 11.260 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.125 9.132 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.774 9.513 1.798 1.00 0.00 H new ATOM 1083 N SER A 71 9.424 10.267 4.427 1.00 0.00 N ATOM 1084 CA SER A 71 9.497 10.950 5.707 1.00 0.00 C ATOM 1085 C SER A 71 10.668 10.404 6.526 1.00 0.00 C ATOM 1086 O SER A 71 10.917 9.200 6.533 1.00 0.00 O ATOM 1087 CB SER A 71 8.189 10.802 6.487 1.00 0.00 C ATOM 1088 OG SER A 71 8.129 11.686 7.603 1.00 0.00 O ATOM 0 H SER A 71 8.925 9.377 4.446 1.00 0.00 H new ATOM 0 HA SER A 71 9.657 12.012 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.347 10.999 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.088 9.773 6.834 1.00 0.00 H new ATOM 0 HG SER A 71 8.171 11.168 8.434 1.00 0.00 H new ATOM 1094 N GLN A 72 11.356 11.317 7.197 1.00 0.00 N ATOM 1095 CA GLN A 72 12.495 10.942 8.017 1.00 0.00 C ATOM 1096 C GLN A 72 12.027 10.178 9.258 1.00 0.00 C ATOM 1097 O GLN A 72 12.708 9.265 9.723 1.00 0.00 O ATOM 1098 CB GLN A 72 13.318 12.171 8.408 1.00 0.00 C ATOM 1099 CG GLN A 72 14.677 11.762 8.980 1.00 0.00 C ATOM 1100 CD GLN A 72 15.787 12.684 8.470 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.866 13.852 8.816 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.636 12.097 7.632 1.00 0.00 N ATOM 0 H GLN A 72 11.146 12.315 7.189 1.00 0.00 H new ATOM 0 HA GLN A 72 13.139 10.286 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.464 12.808 7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.772 12.760 9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.642 11.796 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.898 10.732 8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.512 11.115 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.412 12.628 7.237 1.00 0.00 H new ATOM 1111 N THR A 73 10.868 10.580 9.759 1.00 0.00 N ATOM 1112 CA THR A 73 10.301 9.945 10.936 1.00 0.00 C ATOM 1113 C THR A 73 8.928 9.354 10.614 1.00 0.00 C ATOM 1114 O THR A 73 8.285 9.759 9.647 1.00 0.00 O ATOM 1115 CB THR A 73 10.268 10.981 12.062 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.866 12.185 11.414 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.662 11.299 12.607 1.00 0.00 C ATOM 0 H THR A 73 10.306 11.338 9.371 1.00 0.00 H new ATOM 0 HA THR A 73 10.912 9.105 11.265 1.00 0.00 H new ATOM 0 HB THR A 73 9.636 10.616 12.872 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.817 12.910 12.072 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.581 12.039 13.403 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.115 10.389 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.285 11.695 11.805 1.00 0.00 H new ATOM 1125 N PRO A 74 8.508 8.380 11.465 1.00 0.00 N ATOM 1126 CA PRO A 74 7.222 7.728 11.280 1.00 0.00 C ATOM 1127 C PRO A 74 6.076 8.646 11.710 1.00 0.00 C ATOM 1128 O PRO A 74 5.919 8.936 12.895 1.00 0.00 O ATOM 1129 CB PRO A 74 7.305 6.454 12.106 1.00 0.00 C ATOM 1130 CG PRO A 74 8.446 6.666 13.086 1.00 0.00 C ATOM 1131 CD PRO A 74 9.243 7.874 12.621 1.00 0.00 C ATOM 0 HA PRO A 74 7.013 7.497 10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.368 6.268 12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.492 5.588 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.060 6.828 14.092 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.082 5.782 13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.314 8.627 13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.262 7.596 12.352 1.00 0.00 H new ATOM 1139 N ASN A 75 5.303 9.076 10.724 1.00 0.00 N ATOM 1140 CA ASN A 75 4.176 9.955 10.985 1.00 0.00 C ATOM 1141 C ASN A 75 2.902 9.326 10.417 1.00 0.00 C ATOM 1142 O ASN A 75 2.963 8.527 9.483 1.00 0.00 O ATOM 1143 CB ASN A 75 4.371 11.316 10.313 1.00 0.00 C ATOM 1144 CG ASN A 75 4.716 12.392 11.344 1.00 0.00 C ATOM 1145 OD1 ASN A 75 3.878 12.857 12.098 1.00 0.00 O ATOM 1146 ND2 ASN A 75 5.994 12.761 11.334 1.00 0.00 N ATOM 0 H ASN A 75 5.435 8.832 9.742 1.00 0.00 H new ATOM 0 HA ASN A 75 4.099 10.093 12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.167 11.249 9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.462 11.596 9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.324 13.474 11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.644 12.331 10.676 1.00 0.00 H new ATOM 1153 N GLU A 76 1.778 9.708 11.006 1.00 0.00 N ATOM 1154 CA GLU A 76 0.492 9.192 10.570 1.00 0.00 C ATOM 1155 C GLU A 76 0.368 9.291 9.049 1.00 0.00 C ATOM 1156 O GLU A 76 -0.378 8.532 8.432 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.657 9.926 11.264 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.426 8.986 12.195 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.788 9.687 13.505 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -2.452 10.743 13.420 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.392 9.152 14.563 1.00 0.00 O ATOM 0 H GLU A 76 1.732 10.369 11.782 1.00 0.00 H new ATOM 0 HA GLU A 76 0.430 8.141 10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.264 10.767 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.335 10.337 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.334 8.641 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.822 8.103 12.406 1.00 0.00 H new ATOM 1168 N GLU A 77 1.109 10.234 8.487 1.00 0.00 N ATOM 1169 CA GLU A 77 1.091 10.443 7.049 1.00 0.00 C ATOM 1170 C GLU A 77 1.663 9.221 6.328 1.00 0.00 C ATOM 1171 O GLU A 77 1.303 8.945 5.184 1.00 0.00 O ATOM 1172 CB GLU A 77 1.857 11.712 6.669 1.00 0.00 C ATOM 1173 CG GLU A 77 1.173 12.956 7.240 1.00 0.00 C ATOM 1174 CD GLU A 77 1.601 14.214 6.481 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.435 14.212 5.242 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.083 15.148 7.156 1.00 0.00 O ATOM 0 H GLU A 77 1.726 10.862 9.001 1.00 0.00 H new ATOM 0 HA GLU A 77 0.056 10.575 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.879 11.650 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.919 11.792 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.091 12.841 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.423 13.061 8.296 1.00 0.00 H new ATOM 1183 N CYS A 78 2.546 8.522 7.026 1.00 0.00 N ATOM 1184 CA CYS A 78 3.172 7.336 6.466 1.00 0.00 C ATOM 1185 C CYS A 78 2.187 6.171 6.586 1.00 0.00 C ATOM 1186 O CYS A 78 2.358 5.140 5.938 1.00 0.00 O ATOM 1187 CB CYS A 78 4.507 7.026 7.146 1.00 0.00 C ATOM 1188 SG CYS A 78 5.630 8.465 7.005 1.00 0.00 S ATOM 0 H CYS A 78 2.843 8.754 7.974 1.00 0.00 H new ATOM 0 HA CYS A 78 3.406 7.507 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.342 6.784 8.196 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.965 6.151 6.685 1.00 0.00 H new ATOM 0 HG CYS A 78 6.558 8.381 7.911 1.00 0.00 H new ATOM 1194 N LEU A 79 1.178 6.375 7.420 1.00 0.00 N ATOM 1195 CA LEU A 79 0.166 5.354 7.633 1.00 0.00 C ATOM 1196 C LEU A 79 -0.967 5.546 6.622 1.00 0.00 C ATOM 1197 O LEU A 79 -1.549 6.626 6.535 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.303 5.360 9.090 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.051 4.111 9.559 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.575 2.870 8.801 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -0.933 3.938 11.074 1.00 0.00 C ATOM 0 H LEU A 79 1.039 7.232 7.956 1.00 0.00 H new ATOM 0 HA LEU A 79 0.584 4.362 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.568 5.500 9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.950 6.224 9.239 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.109 4.241 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.123 1.996 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.754 3.004 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.491 2.724 8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.474 3.043 11.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.117 3.840 11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.359 4.808 11.574 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.244 4.481 5.884 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.296 4.519 4.882 1.00 0.00 C ATOM 1215 C PHE A 80 -3.313 3.399 5.112 1.00 0.00 C ATOM 1216 O PHE A 80 -3.048 2.460 5.862 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.627 4.312 3.522 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.799 5.508 3.047 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.303 5.893 3.745 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.166 6.187 1.927 1.00 0.00 C ATOM 1221 CE1 PHE A 80 1.071 7.003 3.305 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.398 7.297 1.486 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.704 7.681 2.184 1.00 0.00 C ATOM 0 H PHE A 80 -0.759 3.587 5.960 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.825 5.471 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.982 3.435 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.396 4.097 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.594 5.354 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.042 5.882 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.946 7.309 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.689 7.836 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.288 8.525 1.848 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.455 3.536 4.454 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.512 2.547 4.578 1.00 0.00 C ATOM 1235 C LEU A 81 -5.540 1.676 3.321 1.00 0.00 C ATOM 1236 O LEU A 81 -5.559 2.192 2.204 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.848 3.227 4.885 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.786 4.436 5.820 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.802 4.193 6.966 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.460 5.714 5.045 1.00 0.00 C ATOM 0 H LEU A 81 -4.671 4.316 3.834 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.317 1.884 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.297 3.544 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.517 2.487 5.324 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.771 4.573 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.777 5.068 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.120 3.323 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.807 4.015 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.422 6.558 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.494 5.604 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.231 5.892 4.296 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.542 0.370 3.544 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.567 -0.578 2.443 1.00 0.00 C ATOM 1254 C GLU A 82 -6.915 -1.300 2.394 1.00 0.00 C ATOM 1255 O GLU A 82 -7.524 -1.555 3.432 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.413 -1.577 2.553 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.580 -2.719 1.549 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.201 -3.948 2.216 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.425 -3.899 2.469 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.439 -4.909 2.457 1.00 0.00 O ATOM 0 H GLU A 82 -5.527 -0.054 4.471 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.439 -0.026 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.467 -1.066 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.372 -1.980 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.210 -2.392 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.610 -2.981 1.126 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.342 -1.609 1.179 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.606 -2.296 0.982 1.00 0.00 C ATOM 1269 C ARG A 83 -8.500 -3.279 -0.187 1.00 0.00 C ATOM 1270 O ARG A 83 -7.721 -3.064 -1.114 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.736 -1.303 0.702 1.00 0.00 C ATOM 1272 CG ARG A 83 -11.036 -2.033 0.358 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.645 -2.683 1.602 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.065 -3.017 1.355 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.945 -3.320 2.319 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -13.555 -3.334 3.601 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.214 -3.610 2.001 1.00 0.00 N ATOM 0 H ARG A 83 -6.834 -1.396 0.320 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.834 -2.839 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.891 -0.668 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.453 -0.648 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.748 -1.331 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.841 -2.795 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.090 -3.585 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.565 -2.006 2.452 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.395 -3.017 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.589 -3.114 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.224 -3.565 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.510 -3.600 1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.884 -3.841 2.735 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.294 -4.336 -0.103 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.298 -5.352 -1.141 1.00 0.00 C ATOM 1293 C LEU A 84 -10.426 -5.057 -2.133 1.00 0.00 C ATOM 1294 O LEU A 84 -11.580 -4.905 -1.738 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.374 -6.750 -0.523 1.00 0.00 C ATOM 1296 CG LEU A 84 -8.787 -7.887 -1.362 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -9.555 -8.054 -2.674 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -7.289 -7.678 -1.597 1.00 0.00 C ATOM 0 H LEU A 84 -9.939 -4.511 0.668 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.364 -5.327 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.858 -6.730 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.420 -6.979 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.899 -8.816 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.117 -8.869 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.599 -8.282 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.497 -7.130 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.896 -8.500 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.131 -6.737 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.771 -7.648 -0.638 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.051 -4.985 -3.402 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.016 -4.710 -4.453 1.00 0.00 C ATOM 1312 C GLU A 85 -11.429 -6.010 -5.146 1.00 0.00 C ATOM 1313 O GLU A 85 -10.728 -7.016 -5.055 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.457 -3.704 -5.461 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.349 -2.309 -4.842 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.650 -1.526 -5.024 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -12.690 -2.036 -4.555 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.575 -0.435 -5.630 1.00 0.00 O ATOM 0 H GLU A 85 -9.092 -5.112 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.902 -4.265 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.475 -4.032 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.102 -3.667 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.118 -2.395 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.525 -1.765 -5.304 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.566 -5.946 -5.824 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.081 -7.105 -6.533 1.00 0.00 C ATOM 1327 C GLU A 86 -12.429 -7.216 -7.913 1.00 0.00 C ATOM 1328 O GLU A 86 -13.121 -7.346 -8.921 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.605 -7.043 -6.650 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.271 -7.338 -5.304 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.096 -8.625 -5.372 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -15.467 -9.697 -5.506 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.338 -8.508 -5.287 1.00 0.00 O ATOM 0 H GLU A 86 -13.145 -5.109 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.829 -7.998 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.907 -6.056 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.946 -7.763 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.509 -7.430 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.914 -6.504 -5.021 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.105 -7.161 -7.913 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.353 -7.254 -9.152 1.00 0.00 C ATOM 1342 C ASN A 87 -8.924 -7.706 -8.843 1.00 0.00 C ATOM 1343 O ASN A 87 -7.998 -7.405 -9.594 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.278 -5.897 -9.854 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.093 -5.903 -11.149 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -12.311 -5.825 -11.146 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.356 -6.001 -12.252 1.00 0.00 N ATOM 0 H ASN A 87 -10.534 -7.053 -7.075 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.859 -7.968 -9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.652 -5.118 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.238 -5.655 -10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.807 -6.014 -13.167 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.340 -6.063 -12.183 1.00 0.00 H new ATOM 1354 N HIS A 88 -8.790 -8.422 -7.736 1.00 0.00 N ATOM 1355 CA HIS A 88 -7.490 -8.919 -7.319 1.00 0.00 C ATOM 1356 C HIS A 88 -6.494 -7.759 -7.256 1.00 0.00 C ATOM 1357 O HIS A 88 -5.355 -7.889 -7.704 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.022 -10.053 -8.233 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.741 -11.361 -8.004 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -7.846 -11.951 -6.757 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -8.389 -12.186 -8.876 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -8.528 -13.080 -6.884 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -8.863 -13.224 -8.198 1.00 0.00 N ATOM 0 H HIS A 88 -9.560 -8.670 -7.115 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.564 -9.345 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -7.161 -9.750 -9.271 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -5.953 -10.207 -8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.498 -12.022 -9.938 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.775 -13.766 -6.087 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.391 -14.001 -8.595 1.00 0.00 H new ATOM 1371 N TYR A 89 -6.958 -6.651 -6.697 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.122 -5.470 -6.570 1.00 0.00 C ATOM 1373 C TYR A 89 -6.411 -4.732 -5.261 1.00 0.00 C ATOM 1374 O TYR A 89 -7.556 -4.675 -4.816 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.493 -4.563 -7.745 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.761 -4.898 -9.046 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.417 -5.211 -9.020 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.444 -4.889 -10.244 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.728 -5.527 -10.244 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -5.755 -5.205 -11.469 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.431 -5.509 -11.408 1.00 0.00 C ATOM 1382 OH TYR A 89 -3.780 -5.807 -12.564 1.00 0.00 O ATOM 0 H TYR A 89 -7.903 -6.546 -6.327 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.067 -5.744 -6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.567 -4.630 -7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.277 -3.529 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.882 -5.219 -8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.496 -4.645 -10.264 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.676 -5.773 -10.238 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.278 -5.201 -12.414 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.407 -5.756 -13.315 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.352 -4.186 -4.681 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.477 -3.454 -3.432 1.00 0.00 C ATOM 1394 C ASN A 90 -5.137 -1.982 -3.671 1.00 0.00 C ATOM 1395 O ASN A 90 -4.434 -1.651 -4.625 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.512 -3.997 -2.376 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.488 -5.527 -2.390 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.489 -6.164 -3.430 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.468 -6.078 -1.180 1.00 0.00 N ATOM 0 H ASN A 90 -4.404 -4.236 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.501 -3.567 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.509 -3.612 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.811 -3.643 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.452 -7.093 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.468 -5.485 -0.350 1.00 0.00 H new ATOM 1406 N THR A 91 -5.652 -1.138 -2.790 1.00 0.00 N ATOM 1407 CA THR A 91 -5.411 0.292 -2.894 1.00 0.00 C ATOM 1408 C THR A 91 -4.857 0.836 -1.575 1.00 0.00 C ATOM 1409 O THR A 91 -4.836 0.131 -0.568 1.00 0.00 O ATOM 1410 CB THR A 91 -6.716 0.961 -3.327 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.657 0.565 -2.332 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.275 0.370 -4.623 1.00 0.00 C ATOM 0 H THR A 91 -6.235 -1.416 -2.001 1.00 0.00 H new ATOM 0 HA THR A 91 -4.652 0.512 -3.645 1.00 0.00 H new ATOM 0 HB THR A 91 -6.549 2.030 -3.457 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.532 0.957 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.202 0.880 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.549 0.501 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.473 -0.693 -4.482 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.423 2.087 -1.625 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.871 2.735 -0.447 1.00 0.00 C ATOM 1422 C TYR A 92 -4.258 4.214 -0.403 1.00 0.00 C ATOM 1423 O TYR A 92 -4.142 4.920 -1.403 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.351 2.621 -0.577 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.847 1.189 -0.768 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.182 0.212 0.148 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.059 0.873 -1.856 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.708 -1.136 -0.031 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.586 -0.475 -2.035 1.00 0.00 C ATOM 1430 CZ TYR A 92 -0.934 -1.413 -1.114 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.486 -2.686 -1.283 1.00 0.00 O ATOM 0 H TYR A 92 -4.442 2.669 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.249 2.267 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.023 3.226 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.888 3.042 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.800 0.459 0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.797 1.637 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.962 -1.909 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.031 -0.735 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.155 -2.798 -2.199 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.710 4.640 0.768 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.115 6.022 0.956 1.00 0.00 C ATOM 1443 C ILE A 93 -4.464 6.572 2.226 1.00 0.00 C ATOM 1444 O ILE A 93 -4.369 5.871 3.233 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.641 6.140 0.946 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.194 5.980 -0.471 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.094 7.450 1.594 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.601 5.380 -0.446 1.00 0.00 C ATOM 0 H ILE A 93 -4.804 4.052 1.596 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.766 6.637 0.127 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.050 5.326 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.217 6.950 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.532 5.339 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.182 7.509 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.748 7.484 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.675 8.292 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.971 5.277 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.570 4.400 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.266 6.035 0.116 1.00 0.00 H new ATOM 1460 N SER A 94 -4.032 7.821 2.139 1.00 0.00 N ATOM 1461 CA SER A 94 -3.392 8.473 3.269 1.00 0.00 C ATOM 1462 C SER A 94 -4.402 8.666 4.402 1.00 0.00 C ATOM 1463 O SER A 94 -5.553 9.026 4.158 1.00 0.00 O ATOM 1464 CB SER A 94 -2.788 9.818 2.861 1.00 0.00 C ATOM 1465 OG SER A 94 -1.758 10.233 3.752 1.00 0.00 O ATOM 0 H SER A 94 -4.113 8.400 1.303 1.00 0.00 H new ATOM 0 HA SER A 94 -2.581 7.834 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.385 9.743 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.572 10.575 2.836 1.00 0.00 H new ATOM 0 HG SER A 94 -1.397 11.095 3.456 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.935 8.419 5.617 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.784 8.562 6.788 1.00 0.00 C ATOM 1473 C LYS A 95 -5.130 10.039 6.984 1.00 0.00 C ATOM 1474 O LYS A 95 -6.264 10.452 6.743 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.124 7.918 8.009 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.143 7.120 8.825 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.866 7.248 10.325 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.163 7.168 11.131 1.00 0.00 C ATOM 1479 NZ LYS A 95 -6.596 8.519 11.553 1.00 0.00 N ATOM 0 H LYS A 95 -2.980 8.121 5.816 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.725 8.030 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.316 7.261 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.676 8.690 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.149 7.477 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.106 6.070 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.187 6.456 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.366 8.196 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.943 6.701 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.015 6.537 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.478 8.446 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.858 8.951 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.757 9.110 10.713 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.134 10.795 7.420 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.319 12.218 7.652 1.00 0.00 C ATOM 1495 C LYS A 96 -5.099 12.823 6.482 1.00 0.00 C ATOM 1496 O LYS A 96 -5.820 13.804 6.654 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.974 12.898 7.912 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.978 13.626 9.257 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.669 14.386 9.474 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.818 15.431 10.582 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.519 15.667 11.250 1.00 0.00 N ATOM 0 H LYS A 96 -3.195 10.449 7.619 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.912 12.384 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.178 12.154 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.760 13.606 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.817 14.321 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.123 12.907 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.876 13.685 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.370 14.874 8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.192 16.364 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.553 15.093 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.638 16.379 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.177 14.778 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.172 16.010 10.553 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.927 12.212 5.319 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.605 12.678 4.122 1.00 0.00 C ATOM 1517 C HIS A 97 -6.458 11.548 3.542 1.00 0.00 C ATOM 1518 O HIS A 97 -6.363 11.240 2.354 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.602 13.241 3.113 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.432 13.956 3.745 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.617 13.593 4.777 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.991 15.196 3.317 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.726 14.558 4.968 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.956 15.553 4.064 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.328 11.398 5.180 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.275 13.499 4.377 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.226 12.425 2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.120 13.931 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.418 15.775 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.947 14.556 5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.425 16.420 3.978 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.271 10.960 4.406 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.140 9.870 3.995 1.00 0.00 C ATOM 1534 C ALA A 98 -9.421 10.446 3.388 1.00 0.00 C ATOM 1535 O ALA A 98 -9.846 10.025 2.313 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.420 8.960 5.193 1.00 0.00 C ATOM 0 H ALA A 98 -7.347 11.218 5.390 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.657 9.262 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.072 8.143 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.481 8.553 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.907 9.535 5.981 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.999 11.400 4.102 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.223 12.038 3.647 1.00 0.00 C ATOM 1544 C GLU A 99 -10.961 12.837 2.369 1.00 0.00 C ATOM 1545 O GLU A 99 -11.898 13.294 1.716 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.815 12.930 4.740 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.991 12.239 5.434 1.00 0.00 C ATOM 1548 CD GLU A 99 -14.313 12.580 4.742 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -14.692 13.770 4.797 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.915 11.643 4.175 1.00 0.00 O ATOM 0 H GLU A 99 -9.643 11.747 4.993 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.954 11.261 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.046 13.171 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.148 13.872 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.840 11.160 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.033 12.547 6.479 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.683 12.982 2.051 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.287 13.718 0.863 1.00 0.00 C ATOM 1559 C LYS A 100 -9.369 12.795 -0.355 1.00 0.00 C ATOM 1560 O LYS A 100 -9.250 13.250 -1.491 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.909 14.354 1.061 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.907 15.290 2.271 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.011 16.505 2.022 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.392 17.007 3.329 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.995 18.427 3.202 1.00 0.00 N ATOM 0 H LYS A 100 -8.909 12.602 2.596 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.972 14.546 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.161 13.574 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.629 14.910 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.924 15.621 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.558 14.751 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.221 16.241 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.594 17.303 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.107 16.895 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.522 16.401 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.577 18.752 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.296 18.525 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.832 19.003 2.982 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.571 11.516 -0.075 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.670 10.526 -1.133 1.00 0.00 C ATOM 1581 C ASN A 101 -8.449 10.640 -2.049 1.00 0.00 C ATOM 1582 O ASN A 101 -8.582 10.962 -3.228 1.00 0.00 O ATOM 1583 CB ASN A 101 -10.921 10.751 -1.984 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.057 11.337 -1.143 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.078 12.512 -0.814 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.998 10.456 -0.815 1.00 0.00 N ATOM 0 H ASN A 101 -9.669 11.143 0.869 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.722 9.541 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.688 11.425 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.240 9.807 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.799 10.749 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.919 9.487 -1.123 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.288 10.369 -1.471 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.045 10.437 -2.220 1.00 0.00 C ATOM 1595 C TRP A 102 -5.482 9.019 -2.331 1.00 0.00 C ATOM 1596 O TRP A 102 -5.403 8.299 -1.337 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.068 11.419 -1.572 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.543 12.874 -1.591 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.669 13.367 -2.125 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.855 14.010 -1.026 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.757 14.733 -1.947 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.619 15.136 -1.257 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.629 14.084 -0.343 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.241 16.418 -0.839 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.265 15.372 0.069 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.023 16.516 -0.156 1.00 0.00 C ATOM 0 H TRP A 102 -7.182 10.102 -0.492 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.220 10.821 -3.225 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -4.897 11.117 -0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.109 11.354 -2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.414 12.771 -2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.517 15.336 -2.263 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.016 13.216 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.856 17.284 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.330 15.485 0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.674 17.476 0.195 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.104 8.660 -3.549 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.550 7.341 -3.803 1.00 0.00 C ATOM 1619 C PHE A 103 -3.103 7.439 -4.290 1.00 0.00 C ATOM 1620 O PHE A 103 -2.729 8.410 -4.945 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.403 6.702 -4.901 1.00 0.00 C ATOM 1622 CG PHE A 103 -6.869 6.503 -4.514 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.731 7.555 -4.550 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.311 5.275 -4.132 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.092 7.370 -4.190 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -8.673 5.090 -3.773 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.534 6.142 -3.809 1.00 0.00 C ATOM 0 H PHE A 103 -5.171 9.260 -4.371 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.558 6.751 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.355 7.326 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -4.973 5.736 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.380 8.531 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.626 4.440 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.776 8.205 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.025 4.114 -3.472 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.569 6.002 -3.535 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.328 6.419 -3.949 1.00 0.00 N ATOM 1638 CA VAL A 104 -0.930 6.378 -4.343 1.00 0.00 C ATOM 1639 C VAL A 104 -0.832 5.996 -5.821 1.00 0.00 C ATOM 1640 O VAL A 104 0.201 6.210 -6.454 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.156 5.427 -3.427 1.00 0.00 C ATOM 1642 CG1 VAL A 104 1.150 4.975 -4.084 1.00 0.00 C ATOM 1643 CG2 VAL A 104 0.109 6.072 -2.066 1.00 0.00 C ATOM 0 H VAL A 104 -2.642 5.615 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.472 7.361 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.772 4.543 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.681 4.300 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.928 4.458 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.773 5.845 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.660 5.375 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.696 6.981 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.840 6.320 -1.590 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.921 5.437 -6.328 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.971 5.023 -7.720 1.00 0.00 C ATOM 1655 C GLY A 105 -1.113 5.939 -8.596 1.00 0.00 C ATOM 1656 O GLY A 105 -1.096 7.153 -8.400 1.00 0.00 O ATOM 0 H GLY A 105 -2.776 5.261 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.620 3.995 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.003 5.040 -8.071 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.421 5.322 -9.542 1.00 0.00 N ATOM 1661 CA LEU A 106 0.437 6.066 -10.448 1.00 0.00 C ATOM 1662 C LEU A 106 -0.216 6.124 -11.830 1.00 0.00 C ATOM 1663 O LEU A 106 -1.095 5.321 -12.140 1.00 0.00 O ATOM 1664 CB LEU A 106 1.848 5.473 -10.458 1.00 0.00 C ATOM 1665 CG LEU A 106 2.484 5.232 -9.088 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.173 3.867 -9.037 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.437 6.370 -8.718 1.00 0.00 C ATOM 0 H LEU A 106 -0.437 4.315 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 106 0.551 7.095 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.818 4.525 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.497 6.140 -11.025 1.00 0.00 H new ATOM 0 HG LEU A 106 1.691 5.221 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.617 3.720 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.440 3.082 -9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.953 3.825 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.876 6.174 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.229 6.438 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.886 7.310 -8.687 1.00 0.00 H new ATOM 1679 N LYS A 107 0.239 7.081 -12.625 1.00 0.00 N ATOM 1680 CA LYS A 107 -0.290 7.254 -13.967 1.00 0.00 C ATOM 1681 C LYS A 107 0.213 6.118 -14.859 1.00 0.00 C ATOM 1682 O LYS A 107 0.807 5.157 -14.372 1.00 0.00 O ATOM 1683 CB LYS A 107 0.046 8.649 -14.500 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.935 9.692 -13.962 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.668 11.066 -14.580 1.00 0.00 C ATOM 1686 CE LYS A 107 -0.420 12.116 -13.495 1.00 0.00 C ATOM 1687 NZ LYS A 107 -0.207 13.449 -14.103 1.00 0.00 N ATOM 0 H LYS A 107 0.968 7.745 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.378 7.195 -13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.062 8.917 -14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.015 8.643 -15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.957 9.383 -14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.847 9.754 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.197 11.010 -15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.519 11.365 -15.193 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.270 12.152 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.451 11.837 -12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.040 14.150 -13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.618 13.415 -14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.050 13.720 -14.649 1.00 0.00 H new ATOM 1701 N LYS A 108 -0.043 6.264 -16.151 1.00 0.00 N ATOM 1702 CA LYS A 108 0.376 5.262 -17.116 1.00 0.00 C ATOM 1703 C LYS A 108 1.886 5.371 -17.335 1.00 0.00 C ATOM 1704 O LYS A 108 2.548 4.377 -17.632 1.00 0.00 O ATOM 1705 CB LYS A 108 -0.442 5.382 -18.403 1.00 0.00 C ATOM 1706 CG LYS A 108 0.007 6.590 -19.227 1.00 0.00 C ATOM 1707 CD LYS A 108 -0.223 6.350 -20.721 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.709 6.453 -21.071 1.00 0.00 C ATOM 1709 NZ LYS A 108 -1.929 7.503 -22.091 1.00 0.00 N ATOM 0 H LYS A 108 -0.536 7.062 -16.552 1.00 0.00 H new ATOM 0 HA LYS A 108 0.180 4.260 -16.734 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.332 4.473 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.500 5.477 -18.158 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.542 7.476 -18.909 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.064 6.787 -19.045 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.342 7.079 -21.301 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.152 5.364 -20.996 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.068 5.494 -21.444 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.285 6.682 -20.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.942 7.560 -22.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.605 8.419 -21.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.395 7.268 -22.952 1.00 0.00 H new ATOM 1723 N ASN A 109 2.388 6.587 -17.179 1.00 0.00 N ATOM 1724 CA ASN A 109 3.808 6.840 -17.356 1.00 0.00 C ATOM 1725 C ASN A 109 4.546 6.509 -16.057 1.00 0.00 C ATOM 1726 O ASN A 109 5.692 6.915 -15.870 1.00 0.00 O ATOM 1727 CB ASN A 109 4.069 8.310 -17.687 1.00 0.00 C ATOM 1728 CG ASN A 109 3.458 9.228 -16.627 1.00 0.00 C ATOM 1729 OD1 ASN A 109 2.336 9.047 -16.184 1.00 0.00 O ATOM 1730 ND2 ASN A 109 4.257 10.221 -16.246 1.00 0.00 N ATOM 0 H ASN A 109 1.836 7.409 -16.932 1.00 0.00 H new ATOM 0 HA ASN A 109 4.161 6.218 -18.178 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.143 8.487 -17.751 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.648 8.547 -18.664 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.941 10.888 -15.542 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.186 10.315 -16.658 1.00 0.00 H new ATOM 1737 N GLY A 110 3.859 5.776 -15.194 1.00 0.00 N ATOM 1738 CA GLY A 110 4.435 5.387 -13.918 1.00 0.00 C ATOM 1739 C GLY A 110 4.754 6.615 -13.062 1.00 0.00 C ATOM 1740 O GLY A 110 5.817 6.689 -12.448 1.00 0.00 O ATOM 0 H GLY A 110 2.909 5.441 -15.353 1.00 0.00 H new ATOM 0 HA2 GLY A 110 3.741 4.738 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.345 4.811 -14.086 1.00 0.00 H new ATOM 1744 N SER A 111 3.813 7.548 -13.050 1.00 0.00 N ATOM 1745 CA SER A 111 3.980 8.769 -12.280 1.00 0.00 C ATOM 1746 C SER A 111 2.973 8.803 -11.129 1.00 0.00 C ATOM 1747 O SER A 111 1.860 8.296 -11.257 1.00 0.00 O ATOM 1748 CB SER A 111 3.817 10.005 -13.166 1.00 0.00 C ATOM 1749 OG SER A 111 5.073 10.527 -13.591 1.00 0.00 O ATOM 0 H SER A 111 2.933 7.483 -13.561 1.00 0.00 H new ATOM 0 HA SER A 111 4.990 8.780 -11.870 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.217 9.749 -14.039 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.271 10.774 -12.619 1.00 0.00 H new ATOM 0 HG SER A 111 4.962 11.459 -13.872 1.00 0.00 H new ATOM 1755 N CYS A 112 3.400 9.408 -10.030 1.00 0.00 N ATOM 1756 CA CYS A 112 2.549 9.515 -8.857 1.00 0.00 C ATOM 1757 C CYS A 112 1.362 10.415 -9.205 1.00 0.00 C ATOM 1758 O CYS A 112 1.544 11.520 -9.714 1.00 0.00 O ATOM 1759 CB CYS A 112 3.323 10.036 -7.643 1.00 0.00 C ATOM 1760 SG CYS A 112 3.721 11.808 -7.867 1.00 0.00 S ATOM 0 H CYS A 112 4.323 9.829 -9.927 1.00 0.00 H new ATOM 0 HA CYS A 112 2.185 8.527 -8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.731 9.899 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.241 9.462 -7.513 1.00 0.00 H new ATOM 0 HG CYS A 112 2.949 12.314 -8.783 1.00 0.00 H new ATOM 1766 N LYS A 113 0.172 9.908 -8.918 1.00 0.00 N ATOM 1767 CA LYS A 113 -1.045 10.652 -9.195 1.00 0.00 C ATOM 1768 C LYS A 113 -1.411 11.496 -7.972 1.00 0.00 C ATOM 1769 O LYS A 113 -1.709 10.957 -6.908 1.00 0.00 O ATOM 1770 CB LYS A 113 -2.160 9.706 -9.645 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.170 10.434 -10.535 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.299 9.495 -10.965 1.00 0.00 C ATOM 1773 CE LYS A 113 -5.274 10.205 -11.906 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.064 9.761 -13.302 1.00 0.00 N ATOM 0 H LYS A 113 0.025 8.991 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.890 11.342 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.731 8.865 -10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.668 9.296 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.586 11.286 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.665 10.829 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.880 8.620 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.833 9.136 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.300 9.995 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.135 11.284 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.147 10.577 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.116 9.343 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.781 9.051 -13.552 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.376 12.806 -8.166 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.701 13.730 -7.092 1.00 0.00 C ATOM 1790 C ARG A 114 -2.861 13.186 -6.256 1.00 0.00 C ATOM 1791 O ARG A 114 -3.875 12.755 -6.802 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.081 15.105 -7.645 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.883 16.058 -7.616 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.239 16.171 -8.999 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.182 17.590 -9.416 1.00 0.00 N ATOM 1796 CZ ARG A 114 0.570 18.046 -10.427 1.00 0.00 C ATOM 1797 NH1 ARG A 114 1.332 17.198 -11.131 1.00 0.00 N ATOM 1798 NH2 ARG A 114 0.560 19.350 -10.734 1.00 0.00 N ATOM 0 H ARG A 114 -1.128 13.250 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.815 13.835 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.444 15.002 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.898 15.524 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.206 17.043 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.147 15.701 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.766 15.749 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.812 15.593 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.751 18.263 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.340 16.205 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.904 17.545 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.020 19.996 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.132 19.697 -11.504 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.672 13.223 -4.945 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.690 12.739 -4.028 1.00 0.00 C ATOM 1814 C GLY A 115 -5.070 13.283 -4.404 1.00 0.00 C ATOM 1815 O GLY A 115 -5.991 12.514 -4.674 1.00 0.00 O ATOM 0 H GLY A 115 -1.829 13.581 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.709 11.649 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.441 13.041 -3.011 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.171 14.639 -4.411 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.422 15.294 -4.750 1.00 0.00 C ATOM 1821 C PRO A 116 -6.684 15.233 -6.256 1.00 0.00 C ATOM 1822 O PRO A 116 -7.252 16.160 -6.830 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.276 16.715 -4.230 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.784 16.937 -4.038 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.100 15.581 -4.098 1.00 0.00 C ATOM 0 HA PRO A 116 -7.287 14.806 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.690 17.434 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.814 16.845 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.393 17.596 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.590 17.420 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.322 15.563 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.622 15.336 -3.149 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.256 14.130 -6.854 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.436 13.935 -8.283 1.00 0.00 C ATOM 1835 C ARG A 117 -6.745 12.467 -8.583 1.00 0.00 C ATOM 1836 O ARG A 117 -6.584 12.015 -9.716 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.186 14.356 -9.058 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.023 15.877 -9.052 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.064 16.439 -10.475 1.00 0.00 C ATOM 1840 NE ARG A 117 -3.711 16.397 -11.074 1.00 0.00 N ATOM 1841 CZ ARG A 117 -3.442 16.728 -12.344 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -4.430 17.126 -13.157 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -2.184 16.660 -12.802 1.00 0.00 N ATOM 0 H ARG A 117 -5.785 13.362 -6.375 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.272 14.558 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.305 13.891 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.253 13.998 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.816 16.329 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.078 16.143 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.759 15.860 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.432 17.465 -10.459 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.935 16.097 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.387 17.177 -12.809 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.225 17.378 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -1.432 16.356 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -1.979 16.912 -13.769 1.00 0.00 H new ATOM 1857 N THR A 118 -7.182 11.764 -7.549 1.00 0.00 N ATOM 1858 CA THR A 118 -7.515 10.356 -7.689 1.00 0.00 C ATOM 1859 C THR A 118 -8.939 10.093 -7.196 1.00 0.00 C ATOM 1860 O THR A 118 -9.517 10.916 -6.487 1.00 0.00 O ATOM 1861 CB THR A 118 -6.454 9.544 -6.943 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.203 10.302 -5.762 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.108 9.530 -7.670 1.00 0.00 C ATOM 0 H THR A 118 -7.313 12.142 -6.611 1.00 0.00 H new ATOM 0 HA THR A 118 -7.505 10.049 -8.735 1.00 0.00 H new ATOM 0 HB THR A 118 -6.806 8.521 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.667 11.091 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.392 8.940 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.233 9.089 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.739 10.551 -7.772 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.465 8.943 -7.591 1.00 0.00 N ATOM 1872 CA HIS A 119 -10.811 8.561 -7.199 1.00 0.00 C ATOM 1873 C HIS A 119 -11.053 7.094 -7.558 1.00 0.00 C ATOM 1874 O HIS A 119 -10.127 6.386 -7.950 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.845 9.503 -7.819 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.412 10.515 -6.853 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -12.647 11.834 -7.200 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.790 10.387 -5.548 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.143 12.462 -6.144 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.230 11.564 -5.121 1.00 0.00 N ATOM 0 H HIS A 119 -8.983 8.263 -8.179 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.921 8.657 -6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.385 10.031 -8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.662 8.909 -8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.740 9.481 -4.962 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.428 13.503 -6.101 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.576 11.764 -4.183 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.304 6.681 -7.411 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.680 5.311 -7.715 1.00 0.00 C ATOM 1890 C TYR A 120 -13.056 5.160 -9.191 1.00 0.00 C ATOM 1891 O TYR A 120 -13.634 6.069 -9.784 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.909 5.011 -6.855 1.00 0.00 C ATOM 1893 CG TYR A 120 -13.653 5.102 -5.349 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -12.821 4.189 -4.734 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.253 6.098 -4.607 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.580 4.275 -3.317 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.012 6.185 -3.190 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.187 5.269 -2.615 1.00 0.00 C ATOM 1899 OH TYR A 120 -12.959 5.350 -1.277 1.00 0.00 O ATOM 0 H TYR A 120 -13.070 7.271 -7.085 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.852 4.632 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.704 5.708 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.270 4.010 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.351 3.410 -5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.904 6.813 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -11.932 3.566 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.476 6.960 -2.597 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.456 6.108 -0.906 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.711 4.005 -9.741 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.005 3.723 -11.136 1.00 0.00 C ATOM 1911 C GLY A 121 -11.727 3.729 -11.977 1.00 0.00 C ATOM 1912 O GLY A 121 -11.681 3.123 -13.046 1.00 0.00 O ATOM 0 H GLY A 121 -12.231 3.254 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.495 2.753 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.702 4.467 -11.522 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.721 4.421 -11.462 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.446 4.514 -12.153 1.00 0.00 C ATOM 1918 C GLN A 122 -8.624 3.244 -11.923 1.00 0.00 C ATOM 1919 O GLN A 122 -8.674 2.655 -10.844 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.671 5.757 -11.709 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.513 7.021 -11.890 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.660 8.278 -11.708 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.793 8.592 -12.507 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.954 8.978 -10.616 1.00 0.00 N ATOM 0 H GLN A 122 -10.763 4.922 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.640 4.610 -13.221 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.381 5.655 -10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.751 5.842 -12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.963 7.023 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.330 7.024 -11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.692 8.659 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.441 9.834 -10.406 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.887 2.860 -12.955 1.00 0.00 N ATOM 1934 CA LYS A 123 -7.055 1.671 -12.879 1.00 0.00 C ATOM 1935 C LYS A 123 -5.647 2.066 -12.430 1.00 0.00 C ATOM 1936 O LYS A 123 -4.672 1.402 -12.777 1.00 0.00 O ATOM 1937 CB LYS A 123 -7.087 0.909 -14.205 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.873 -0.589 -13.982 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.707 -1.324 -15.314 1.00 0.00 C ATOM 1940 CE LYS A 123 -8.042 -1.428 -16.053 1.00 0.00 C ATOM 1941 NZ LYS A 123 -7.997 -2.518 -17.054 1.00 0.00 N ATOM 0 H LYS A 123 -7.849 3.351 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.446 0.980 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.044 1.073 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.314 1.295 -14.869 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.989 -0.746 -13.364 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.721 -1.004 -13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.983 -0.798 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.308 -2.322 -15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.845 -1.614 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.266 -0.482 -16.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.911 -2.575 -17.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.243 -2.325 -17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.805 -3.421 -16.575 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.586 3.147 -11.665 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.313 3.638 -11.166 1.00 0.00 C ATOM 1957 C ALA A 124 -4.203 3.330 -9.671 1.00 0.00 C ATOM 1958 O ALA A 124 -3.107 3.111 -9.158 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.192 5.134 -11.462 1.00 0.00 C ATOM 0 H ALA A 124 -6.397 3.696 -11.379 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.485 3.137 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.237 5.503 -11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.248 5.298 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.005 5.669 -10.971 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.354 3.321 -9.015 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.401 3.043 -7.590 1.00 0.00 C ATOM 1967 C ILE A 125 -5.253 1.537 -7.363 1.00 0.00 C ATOM 1968 O ILE A 125 -4.768 1.107 -6.318 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.668 3.636 -6.969 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -7.910 2.856 -7.406 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -6.787 5.128 -7.287 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.179 3.468 -6.810 1.00 0.00 C ATOM 0 H ILE A 125 -6.261 3.502 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.567 3.527 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.594 3.542 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.979 2.855 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.821 1.816 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.696 5.525 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.921 5.656 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.829 5.268 -8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.047 2.895 -7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.117 3.446 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.278 4.500 -7.147 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.680 0.776 -8.361 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.601 -0.673 -8.283 1.00 0.00 C ATOM 1986 C LEU A 126 -4.132 -1.098 -8.250 1.00 0.00 C ATOM 1987 O LEU A 126 -3.454 -1.082 -9.277 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.402 -1.314 -9.419 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.887 -0.954 -9.479 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.540 -1.525 -10.739 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.611 -1.399 -8.207 1.00 0.00 C ATOM 0 H LEU A 126 -6.081 1.136 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.057 -1.031 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.942 -1.032 -10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.314 -2.397 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.973 0.131 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.596 -1.254 -10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.046 -1.118 -11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.444 -2.611 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.665 -1.131 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.518 -2.479 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.166 -0.904 -7.343 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.683 -1.469 -7.060 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.306 -1.897 -6.880 1.00 0.00 C ATOM 2005 C PHE A 127 -2.241 -3.365 -6.453 1.00 0.00 C ATOM 2006 O PHE A 127 -3.149 -3.864 -5.790 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.709 -1.029 -5.771 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.959 0.203 -6.282 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.281 0.743 -7.488 1.00 0.00 C ATOM 2010 CD2 PHE A 127 0.028 0.759 -5.530 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.585 1.887 -7.962 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.724 1.902 -6.004 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.403 2.442 -7.210 1.00 0.00 C ATOM 0 H PHE A 127 -4.248 -1.482 -6.211 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.758 -1.793 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.510 -0.705 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.027 -1.636 -5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.066 0.302 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.283 0.331 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.840 2.316 -8.920 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.508 2.343 -5.407 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.933 3.311 -7.571 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.157 -4.016 -6.850 1.00 0.00 N ATOM 2024 CA LEU A 128 -0.961 -5.417 -6.517 1.00 0.00 C ATOM 2025 C LEU A 128 0.446 -5.609 -5.947 1.00 0.00 C ATOM 2026 O LEU A 128 1.436 -5.402 -6.646 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.260 -6.303 -7.728 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.277 -7.424 -7.504 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.406 -8.303 -8.749 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -1.926 -8.241 -6.259 1.00 0.00 C ATOM 0 H LEU A 128 -0.405 -3.599 -7.399 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.664 -5.727 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.621 -5.668 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.325 -6.750 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.253 -6.971 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.135 -9.092 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.736 -7.695 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.439 -8.750 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.664 -9.031 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.938 -8.685 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.925 -7.590 -5.385 1.00 0.00 H new ATOM 2042 N PRO A 129 0.490 -6.013 -4.649 1.00 0.00 N ATOM 2043 CA PRO A 129 1.759 -6.235 -3.977 1.00 0.00 C ATOM 2044 C PRO A 129 2.404 -7.542 -4.442 1.00 0.00 C ATOM 2045 O PRO A 129 1.946 -8.626 -4.084 1.00 0.00 O ATOM 2046 CB PRO A 129 1.424 -6.232 -2.494 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.074 -6.473 -2.404 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.663 -6.268 -3.790 1.00 0.00 C ATOM 0 HA PRO A 129 2.497 -5.467 -4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.977 -7.010 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.695 -5.281 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.277 -7.483 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.529 -5.786 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.215 -7.148 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.360 -5.430 -3.804 1.00 0.00 H new ATOM 2056 N LEU A 130 3.457 -7.397 -5.232 1.00 0.00 N ATOM 2057 CA LEU A 130 4.169 -8.552 -5.750 1.00 0.00 C ATOM 2058 C LEU A 130 5.239 -8.980 -4.743 1.00 0.00 C ATOM 2059 O LEU A 130 5.882 -8.137 -4.119 1.00 0.00 O ATOM 2060 CB LEU A 130 4.722 -8.260 -7.147 1.00 0.00 C ATOM 2061 CG LEU A 130 3.696 -8.230 -8.281 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.657 -9.340 -8.110 1.00 0.00 C ATOM 2063 CD2 LEU A 130 3.046 -6.850 -8.397 1.00 0.00 C ATOM 0 H LEU A 130 3.835 -6.496 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 130 3.489 -9.395 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.233 -7.297 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.474 -9.013 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 130 4.219 -8.419 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.940 -9.296 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.156 -10.309 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.135 -9.207 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.321 -6.857 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.541 -6.606 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.813 -6.103 -8.600 1.00 0.00 H new ATOM 2075 N PRO A 131 5.401 -10.324 -4.612 1.00 0.00 N ATOM 2076 CA PRO A 131 6.381 -10.873 -3.691 1.00 0.00 C ATOM 2077 C PRO A 131 7.799 -10.722 -4.246 1.00 0.00 C ATOM 2078 O PRO A 131 8.072 -11.114 -5.379 1.00 0.00 O ATOM 2079 CB PRO A 131 5.971 -12.324 -3.499 1.00 0.00 C ATOM 2080 CG PRO A 131 5.060 -12.658 -4.670 1.00 0.00 C ATOM 2081 CD PRO A 131 4.657 -11.352 -5.335 1.00 0.00 C ATOM 0 HA PRO A 131 6.400 -10.348 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.843 -12.978 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.453 -12.461 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.574 -13.305 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.179 -13.199 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.910 -11.353 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.582 -11.187 -5.264 1.00 0.00 H new ATOM 2089 N VAL A 132 8.665 -10.152 -3.421 1.00 0.00 N ATOM 2090 CA VAL A 132 10.048 -9.943 -3.814 1.00 0.00 C ATOM 2091 C VAL A 132 10.972 -10.518 -2.739 1.00 0.00 C ATOM 2092 O VAL A 132 10.573 -10.661 -1.584 1.00 0.00 O ATOM 2093 CB VAL A 132 10.297 -8.458 -4.084 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.809 -7.751 -2.828 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.265 -8.268 -5.254 1.00 0.00 C ATOM 0 H VAL A 132 8.435 -9.828 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 132 10.264 -10.469 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 132 9.345 -8.003 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.978 -6.697 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.070 -7.842 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.745 -8.210 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.425 -7.203 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.217 -8.745 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 132 10.844 -8.720 -6.152 1.00 0.00 H new