USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 872 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 44 SER OG : rot 80:sc= 0.263 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -165:sc= 0.841 (180deg=0) USER MOD Set 2.1: A 108 TYR OH : rot 180:sc= -0.795 USER MOD Set 2.2: A 122 ASN : amide:sc= -10.2! C(o=-11!,f=-11!) USER MOD Set 3.1: A 104 SER OG : rot 69:sc= -1.23 USER MOD Set 3.2: A 110 HIS : no HD1:sc= -0.237 K(o=-1.5,f=-7.3!) USER MOD Set 4.1: A 94 GLN : amide:sc= -0.0175 X(o=-0.018,f=0.0015) USER MOD Set 4.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 22:sc= 0.0966 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 43 MET CE :methyl 165:sc= -10.3! (180deg=-10.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.836 K(o=-0.84,f=-1.8!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.8!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 168:sc= 0 (180deg=-0.213) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 69:sc= -1.18 USER MOD Single : A 64 SER OG : rot 62:sc= 0.0215 USER MOD Single : A 68 CYS SG : rot -93:sc= -0.0365 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 109:sc= 0.339 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0339 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.7!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -173:sc= 0.214 USER MOD Single : A 103 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.9!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 116 THR OG1 : rot -94:sc= 0.685 USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -2.56! C(o=-2.6!,f=-6.6!) USER MOD Single : A 125 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -85:sc= 0.767 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -6.911 17.463 10.206 1.00 0.00 N ATOM 14 CA LEU A 2 -6.296 16.153 10.076 1.00 0.00 C ATOM 15 C LEU A 2 -6.096 15.548 11.466 1.00 0.00 C ATOM 16 O LEU A 2 -6.068 16.269 12.463 1.00 0.00 O ATOM 17 CB LEU A 2 -5.010 16.244 9.253 1.00 0.00 C ATOM 18 CG LEU A 2 -5.174 16.131 7.736 1.00 0.00 C ATOM 19 CD1 LEU A 2 -5.721 14.756 7.345 1.00 0.00 C ATOM 20 CD2 LEU A 2 -6.041 17.268 7.192 1.00 0.00 C ATOM 0 HA LEU A 2 -6.951 15.477 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.526 17.195 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.333 15.456 9.585 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.190 16.229 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.828 14.702 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.032 13.981 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.693 14.604 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.142 17.164 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.027 17.226 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.573 18.225 7.422 1.00 0.00 H new ATOM 32 N PRO A 3 -5.957 14.196 11.491 1.00 0.00 N ATOM 33 CA PRO A 3 -5.760 13.486 12.743 1.00 0.00 C ATOM 34 C PRO A 3 -4.333 13.677 13.262 1.00 0.00 C ATOM 35 O PRO A 3 -3.438 14.049 12.505 1.00 0.00 O ATOM 36 CB PRO A 3 -6.089 12.036 12.429 1.00 0.00 C ATOM 37 CG PRO A 3 -6.007 11.908 10.916 1.00 0.00 C ATOM 38 CD PRO A 3 -5.985 13.310 10.331 1.00 0.00 C ATOM 0 HA PRO A 3 -6.397 13.860 13.544 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.385 11.361 12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.084 11.774 12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.110 11.360 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.860 11.348 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.111 13.461 9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.864 13.495 9.713 1.00 0.00 H new ATOM 46 N PRO A 4 -4.161 13.405 14.583 1.00 0.00 N ATOM 47 CA PRO A 4 -2.858 13.542 15.212 1.00 0.00 C ATOM 48 C PRO A 4 -1.935 12.387 14.819 1.00 0.00 C ATOM 49 O PRO A 4 -2.362 11.235 14.771 1.00 0.00 O ATOM 50 CB PRO A 4 -3.146 13.591 16.704 1.00 0.00 C ATOM 51 CG PRO A 4 -4.541 13.016 16.879 1.00 0.00 C ATOM 52 CD PRO A 4 -5.199 12.960 15.510 1.00 0.00 C ATOM 0 HA PRO A 4 -2.328 14.439 14.892 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.412 13.011 17.263 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.095 14.614 17.078 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.491 12.020 17.319 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.126 13.635 17.559 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.536 11.951 15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.075 13.607 15.465 1.00 0.00 H new ATOM 60 N PRO A 5 -0.653 12.745 14.541 1.00 0.00 N ATOM 61 CA PRO A 5 0.334 11.752 14.154 1.00 0.00 C ATOM 62 C PRO A 5 0.789 10.931 15.363 1.00 0.00 C ATOM 63 O PRO A 5 1.155 11.490 16.395 1.00 0.00 O ATOM 64 CB PRO A 5 1.463 12.546 13.518 1.00 0.00 C ATOM 65 CG PRO A 5 1.280 13.981 13.988 1.00 0.00 C ATOM 66 CD PRO A 5 -0.111 14.100 14.588 1.00 0.00 C ATOM 0 HA PRO A 5 -0.062 11.017 13.454 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.434 12.156 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.421 12.483 12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.038 14.240 14.727 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.397 14.674 13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.070 14.475 15.611 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.730 14.794 14.019 1.00 0.00 H new ATOM 74 N GLU A 6 0.751 9.617 15.192 1.00 0.00 N ATOM 75 CA GLU A 6 1.155 8.714 16.257 1.00 0.00 C ATOM 76 C GLU A 6 2.484 8.042 15.905 1.00 0.00 C ATOM 77 O GLU A 6 2.739 7.732 14.743 1.00 0.00 O ATOM 78 CB GLU A 6 0.069 7.671 16.532 1.00 0.00 C ATOM 79 CG GLU A 6 0.009 6.632 15.410 1.00 0.00 C ATOM 80 CD GLU A 6 -1.288 5.824 15.480 1.00 0.00 C ATOM 81 OE1 GLU A 6 -2.313 6.353 14.999 1.00 0.00 O ATOM 82 OE2 GLU A 6 -1.226 4.696 16.014 1.00 0.00 O ATOM 0 H GLU A 6 0.447 9.157 14.334 1.00 0.00 H new ATOM 0 HA GLU A 6 1.294 9.295 17.169 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.269 7.175 17.482 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.898 8.164 16.627 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.079 7.131 14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.864 5.961 15.485 1.00 0.00 H new ATOM 89 N PRO A 7 3.317 7.829 16.960 1.00 0.00 N ATOM 90 CA PRO A 7 4.612 7.200 16.775 1.00 0.00 C ATOM 91 C PRO A 7 4.463 5.694 16.547 1.00 0.00 C ATOM 92 O PRO A 7 3.922 4.984 17.393 1.00 0.00 O ATOM 93 CB PRO A 7 5.395 7.533 18.035 1.00 0.00 C ATOM 94 CG PRO A 7 4.362 7.939 19.072 1.00 0.00 C ATOM 95 CD PRO A 7 3.047 8.182 18.351 1.00 0.00 C ATOM 0 HA PRO A 7 5.133 7.564 15.889 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.972 6.673 18.375 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.104 8.341 17.852 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.247 7.157 19.822 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.682 8.839 19.597 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.248 7.569 18.767 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.732 9.221 18.442 1.00 0.00 H new ATOM 103 N TYR A 8 4.952 5.251 15.398 1.00 0.00 N ATOM 104 CA TYR A 8 4.880 3.843 15.047 1.00 0.00 C ATOM 105 C TYR A 8 6.221 3.148 15.288 1.00 0.00 C ATOM 106 O TYR A 8 7.264 3.638 14.860 1.00 0.00 O ATOM 107 CB TYR A 8 4.558 3.797 13.551 1.00 0.00 C ATOM 108 CG TYR A 8 4.421 2.381 12.987 1.00 0.00 C ATOM 109 CD1 TYR A 8 3.193 1.752 12.989 1.00 0.00 C ATOM 110 CD2 TYR A 8 5.527 1.733 12.476 1.00 0.00 C ATOM 111 CE1 TYR A 8 3.065 0.420 12.458 1.00 0.00 C ATOM 112 CE2 TYR A 8 5.400 0.401 11.946 1.00 0.00 C ATOM 113 CZ TYR A 8 4.176 -0.190 11.962 1.00 0.00 C ATOM 114 OH TYR A 8 4.054 -1.449 11.461 1.00 0.00 O ATOM 0 H TYR A 8 5.400 5.843 14.698 1.00 0.00 H new ATOM 0 HA TYR A 8 4.130 3.335 15.653 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.629 4.339 13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.343 4.320 13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.327 2.259 13.389 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.488 2.226 12.474 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.110 -0.084 12.453 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.258 -0.117 11.544 1.00 0.00 H new ATOM 0 HH TYR A 8 4.927 -1.760 11.141 1.00 0.00 H new ATOM 207 N SER A 14 6.613 -8.744 7.182 1.00 0.00 N ATOM 208 CA SER A 14 7.091 -9.855 6.378 1.00 0.00 C ATOM 209 C SER A 14 6.228 -10.001 5.123 1.00 0.00 C ATOM 210 O SER A 14 5.008 -9.871 5.185 1.00 0.00 O ATOM 211 CB SER A 14 7.084 -11.158 7.181 1.00 0.00 C ATOM 212 OG SER A 14 8.367 -11.779 7.200 1.00 0.00 O ATOM 0 HA SER A 14 8.119 -9.647 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.765 -10.953 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.355 -11.845 6.752 1.00 0.00 H new ATOM 0 HG SER A 14 8.322 -12.606 7.723 1.00 0.00 H new ATOM 218 N TYR A 15 6.899 -10.270 4.012 1.00 0.00 N ATOM 219 CA TYR A 15 6.209 -10.435 2.744 1.00 0.00 C ATOM 220 C TYR A 15 6.263 -11.892 2.276 1.00 0.00 C ATOM 221 O TYR A 15 7.241 -12.593 2.530 1.00 0.00 O ATOM 222 CB TYR A 15 6.961 -9.562 1.738 1.00 0.00 C ATOM 223 CG TYR A 15 7.320 -8.172 2.266 1.00 0.00 C ATOM 224 CD1 TYR A 15 6.342 -7.204 2.381 1.00 0.00 C ATOM 225 CD2 TYR A 15 8.620 -7.884 2.629 1.00 0.00 C ATOM 226 CE1 TYR A 15 6.679 -5.895 2.879 1.00 0.00 C ATOM 227 CE2 TYR A 15 8.957 -6.576 3.127 1.00 0.00 C ATOM 228 CZ TYR A 15 7.969 -5.646 3.227 1.00 0.00 C ATOM 229 OH TYR A 15 8.288 -4.410 3.697 1.00 0.00 O ATOM 0 H TYR A 15 7.912 -10.378 3.964 1.00 0.00 H new ATOM 0 HA TYR A 15 5.160 -10.155 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.876 -10.074 1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.352 -9.452 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.324 -7.428 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.385 -8.641 2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.924 -5.129 2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.971 -6.338 3.415 1.00 0.00 H new ATOM 0 HH TYR A 15 9.245 -4.377 3.907 1.00 0.00 H new ATOM 239 N PRO A 16 5.171 -12.313 1.583 1.00 0.00 N ATOM 240 CA PRO A 16 5.084 -13.672 1.079 1.00 0.00 C ATOM 241 C PRO A 16 5.978 -13.860 -0.149 1.00 0.00 C ATOM 242 O PRO A 16 6.486 -14.953 -0.391 1.00 0.00 O ATOM 243 CB PRO A 16 3.609 -13.887 0.779 1.00 0.00 C ATOM 244 CG PRO A 16 2.997 -12.499 0.685 1.00 0.00 C ATOM 245 CD PRO A 16 3.995 -11.510 1.264 1.00 0.00 C ATOM 0 HA PRO A 16 5.442 -14.410 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.476 -14.437 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.132 -14.472 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.771 -12.251 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.057 -12.458 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.235 -10.724 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.597 -11.020 2.153 1.00 0.00 H new ATOM 253 N SER A 17 6.143 -12.775 -0.892 1.00 0.00 N ATOM 254 CA SER A 17 6.966 -12.805 -2.088 1.00 0.00 C ATOM 255 C SER A 17 8.434 -13.009 -1.708 1.00 0.00 C ATOM 256 O SER A 17 9.181 -13.669 -2.429 1.00 0.00 O ATOM 257 CB SER A 17 6.802 -11.522 -2.903 1.00 0.00 C ATOM 258 OG SER A 17 7.868 -11.337 -3.830 1.00 0.00 O ATOM 0 H SER A 17 5.720 -11.869 -0.688 1.00 0.00 H new ATOM 0 HA SER A 17 6.638 -13.640 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.855 -11.554 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.756 -10.667 -2.228 1.00 0.00 H new ATOM 0 HG SER A 17 7.725 -10.507 -4.332 1.00 0.00 H new ATOM 264 N LYS A 18 8.806 -12.428 -0.577 1.00 0.00 N ATOM 265 CA LYS A 18 10.170 -12.538 -0.092 1.00 0.00 C ATOM 266 C LYS A 18 10.156 -13.041 1.354 1.00 0.00 C ATOM 267 O LYS A 18 10.612 -12.346 2.260 1.00 0.00 O ATOM 268 CB LYS A 18 10.912 -11.211 -0.274 1.00 0.00 C ATOM 269 CG LYS A 18 12.403 -11.371 0.027 1.00 0.00 C ATOM 270 CD LYS A 18 13.117 -10.017 -0.003 1.00 0.00 C ATOM 271 CE LYS A 18 14.336 -10.020 0.921 1.00 0.00 C ATOM 272 NZ LYS A 18 15.182 -8.833 0.664 1.00 0.00 N ATOM 0 H LYS A 18 8.185 -11.879 0.018 1.00 0.00 H new ATOM 0 HA LYS A 18 10.724 -13.271 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.780 -10.853 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.483 -10.457 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.533 -11.833 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.855 -12.041 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.429 -9.789 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.427 -9.231 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.011 -10.025 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.917 -10.929 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.005 -8.849 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.506 -8.845 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.629 -7.969 0.836 1.00 0.00 H new ATOM 597 N CYS A 40 0.305 -9.062 -12.847 1.00 0.00 N ATOM 598 CA CYS A 40 -0.289 -8.159 -11.877 1.00 0.00 C ATOM 599 C CYS A 40 -1.578 -7.592 -12.473 1.00 0.00 C ATOM 600 O CYS A 40 -1.632 -7.282 -13.663 1.00 0.00 O ATOM 601 CB CYS A 40 0.684 -7.052 -11.465 1.00 0.00 C ATOM 602 SG CYS A 40 2.380 -7.727 -11.332 1.00 0.00 S ATOM 0 HA CYS A 40 -0.523 -8.706 -10.964 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.661 -6.245 -12.198 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.378 -6.624 -10.510 1.00 0.00 H new ATOM 0 HG CYS A 40 2.470 -8.817 -12.035 1.00 0.00 H new ATOM 608 N VAL A 41 -2.586 -7.473 -11.622 1.00 0.00 N ATOM 609 CA VAL A 41 -3.871 -6.948 -12.050 1.00 0.00 C ATOM 610 C VAL A 41 -4.259 -5.768 -11.158 1.00 0.00 C ATOM 611 O VAL A 41 -4.103 -5.829 -9.939 1.00 0.00 O ATOM 612 CB VAL A 41 -4.917 -8.065 -12.052 1.00 0.00 C ATOM 613 CG1 VAL A 41 -5.639 -8.143 -10.705 1.00 0.00 C ATOM 614 CG2 VAL A 41 -5.914 -7.879 -13.198 1.00 0.00 C ATOM 0 H VAL A 41 -2.539 -7.732 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.810 -6.575 -13.072 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.398 -9.010 -12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.377 -8.945 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.915 -8.344 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.140 -7.196 -10.505 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.647 -8.686 -13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.424 -6.922 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.382 -7.896 -14.149 1.00 0.00 H new ATOM 624 N THR A 42 -4.756 -4.721 -11.799 1.00 0.00 N ATOM 625 CA THR A 42 -5.167 -3.527 -11.078 1.00 0.00 C ATOM 626 C THR A 42 -6.642 -3.624 -10.686 1.00 0.00 C ATOM 627 O THR A 42 -7.478 -4.026 -11.492 1.00 0.00 O ATOM 628 CB THR A 42 -4.849 -2.313 -11.954 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.449 -2.417 -12.197 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.999 -0.992 -11.198 1.00 0.00 C ATOM 0 H THR A 42 -4.884 -4.674 -12.810 1.00 0.00 H new ATOM 0 HA THR A 42 -4.620 -3.422 -10.141 1.00 0.00 H new ATOM 0 HB THR A 42 -5.506 -2.311 -12.824 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.158 -1.669 -12.760 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.762 -0.163 -11.864 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.024 -0.891 -10.843 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.318 -0.980 -10.347 1.00 0.00 H new ATOM 638 N MET A 43 -6.917 -3.248 -9.444 1.00 0.00 N ATOM 639 CA MET A 43 -8.277 -3.288 -8.934 1.00 0.00 C ATOM 640 C MET A 43 -8.990 -1.955 -9.173 1.00 0.00 C ATOM 641 O MET A 43 -10.048 -1.918 -9.799 1.00 0.00 O ATOM 642 CB MET A 43 -8.250 -3.591 -7.434 1.00 0.00 C ATOM 643 CG MET A 43 -8.333 -5.097 -7.179 1.00 0.00 C ATOM 644 SD MET A 43 -9.600 -5.444 -5.970 1.00 0.00 S ATOM 645 CE MET A 43 -9.083 -4.352 -4.657 1.00 0.00 C ATOM 0 H MET A 43 -6.221 -2.915 -8.777 1.00 0.00 H new ATOM 0 HA MET A 43 -8.822 -4.070 -9.462 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.335 -3.194 -6.995 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.083 -3.089 -6.943 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.554 -5.620 -8.110 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.371 -5.468 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.894 -4.238 -3.938 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.210 -4.772 -4.157 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.828 -3.377 -5.073 1.00 0.00 H new ATOM 655 N SER A 44 -8.382 -0.895 -8.661 1.00 0.00 N ATOM 656 CA SER A 44 -8.946 0.436 -8.812 1.00 0.00 C ATOM 657 C SER A 44 -7.859 1.492 -8.600 1.00 0.00 C ATOM 658 O SER A 44 -6.833 1.216 -7.981 1.00 0.00 O ATOM 659 CB SER A 44 -10.100 0.659 -7.832 1.00 0.00 C ATOM 660 OG SER A 44 -10.986 1.683 -8.275 1.00 0.00 O ATOM 0 H SER A 44 -7.505 -0.931 -8.141 1.00 0.00 H new ATOM 0 HA SER A 44 -9.341 0.528 -9.824 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.654 -0.271 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.699 0.925 -6.854 1.00 0.00 H new ATOM 0 HG SER A 44 -11.594 1.319 -8.952 1.00 0.00 H new ATOM 666 N SER A 45 -8.122 2.679 -9.126 1.00 0.00 N ATOM 667 CA SER A 45 -7.179 3.777 -9.003 1.00 0.00 C ATOM 668 C SER A 45 -7.890 5.018 -8.458 1.00 0.00 C ATOM 669 O SER A 45 -8.967 5.379 -8.931 1.00 0.00 O ATOM 670 CB SER A 45 -6.521 4.092 -10.348 1.00 0.00 C ATOM 671 OG SER A 45 -7.384 4.832 -11.206 1.00 0.00 O ATOM 0 H SER A 45 -8.975 2.904 -9.638 1.00 0.00 H new ATOM 0 HA SER A 45 -6.395 3.478 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.605 4.659 -10.179 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.234 3.161 -10.838 1.00 0.00 H new ATOM 0 HG SER A 45 -6.926 5.014 -12.053 1.00 0.00 H new ATOM 677 N ALA A 46 -7.259 5.637 -7.472 1.00 0.00 N ATOM 678 CA ALA A 46 -7.816 6.829 -6.857 1.00 0.00 C ATOM 679 C ALA A 46 -6.685 7.809 -6.534 1.00 0.00 C ATOM 680 O ALA A 46 -5.631 7.406 -6.046 1.00 0.00 O ATOM 681 CB ALA A 46 -8.619 6.437 -5.616 1.00 0.00 C ATOM 0 H ALA A 46 -6.366 5.335 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.500 7.329 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.037 7.332 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.428 5.766 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.965 5.933 -4.904 1.00 0.00 H new ATOM 687 N VAL A 47 -6.944 9.077 -6.820 1.00 0.00 N ATOM 688 CA VAL A 47 -5.961 10.116 -6.567 1.00 0.00 C ATOM 689 C VAL A 47 -5.896 10.394 -5.064 1.00 0.00 C ATOM 690 O VAL A 47 -6.909 10.711 -4.443 1.00 0.00 O ATOM 691 CB VAL A 47 -6.292 11.361 -7.391 1.00 0.00 C ATOM 692 CG1 VAL A 47 -5.304 12.492 -7.097 1.00 0.00 C ATOM 693 CG2 VAL A 47 -6.323 11.036 -8.886 1.00 0.00 C ATOM 0 H VAL A 47 -7.820 9.408 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.970 9.789 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.286 11.700 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.562 13.365 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.351 12.751 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.294 12.167 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.561 11.938 -9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.348 10.660 -9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.082 10.278 -9.078 1.00 0.00 H new ATOM 703 N VAL A 48 -4.693 10.264 -4.522 1.00 0.00 N ATOM 704 CA VAL A 48 -4.483 10.498 -3.103 1.00 0.00 C ATOM 705 C VAL A 48 -3.093 11.102 -2.891 1.00 0.00 C ATOM 706 O VAL A 48 -2.254 11.068 -3.790 1.00 0.00 O ATOM 707 CB VAL A 48 -4.697 9.200 -2.322 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.608 8.242 -3.091 1.00 0.00 C ATOM 709 CG2 VAL A 48 -3.361 8.536 -1.985 1.00 0.00 C ATOM 0 H VAL A 48 -3.855 10.000 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.210 11.215 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.191 9.451 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.744 7.327 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.576 8.714 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.154 8.001 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.542 7.616 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.827 8.305 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.761 9.214 -1.378 1.00 0.00 H new ATOM 719 N GLN A 49 -2.892 11.638 -1.696 1.00 0.00 N ATOM 720 CA GLN A 49 -1.618 12.248 -1.355 1.00 0.00 C ATOM 721 C GLN A 49 -0.981 11.518 -0.171 1.00 0.00 C ATOM 722 O GLN A 49 -1.567 11.448 0.908 1.00 0.00 O ATOM 723 CB GLN A 49 -1.787 13.738 -1.053 1.00 0.00 C ATOM 724 CG GLN A 49 -2.711 13.954 0.148 1.00 0.00 C ATOM 725 CD GLN A 49 -3.372 15.332 0.090 1.00 0.00 C ATOM 726 OE1 GLN A 49 -3.647 15.874 -0.968 1.00 0.00 O ATOM 727 NE2 GLN A 49 -3.611 15.867 1.285 1.00 0.00 N ATOM 0 H GLN A 49 -3.590 11.663 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.953 12.158 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.813 14.184 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.196 14.245 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.478 13.179 0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.141 13.859 1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.355 15.359 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.050 16.785 1.354 1.00 0.00 H new ATOM 736 N LEU A 50 0.211 10.992 -0.413 1.00 0.00 N ATOM 737 CA LEU A 50 0.934 10.269 0.619 1.00 0.00 C ATOM 738 C LEU A 50 1.602 11.270 1.563 1.00 0.00 C ATOM 739 O LEU A 50 2.266 12.204 1.115 1.00 0.00 O ATOM 740 CB LEU A 50 1.908 9.270 -0.008 1.00 0.00 C ATOM 741 CG LEU A 50 2.991 8.716 0.920 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.007 7.187 0.893 1.00 0.00 C ATOM 743 CD2 LEU A 50 4.360 9.309 0.582 1.00 0.00 C ATOM 0 H LEU A 50 0.694 11.052 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 50 0.247 9.673 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.334 8.433 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.395 9.751 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 50 2.753 9.018 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.786 6.819 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.039 6.807 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.207 6.843 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.111 8.898 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.621 9.059 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.325 10.393 0.695 1.00 0.00 H new ATOM 755 N TYR A 51 1.405 11.042 2.854 1.00 0.00 N ATOM 756 CA TYR A 51 1.980 11.912 3.865 1.00 0.00 C ATOM 757 C TYR A 51 2.744 11.103 4.915 1.00 0.00 C ATOM 758 O TYR A 51 2.523 9.901 5.060 1.00 0.00 O ATOM 759 CB TYR A 51 0.800 12.614 4.539 1.00 0.00 C ATOM 760 CG TYR A 51 0.506 14.010 3.985 1.00 0.00 C ATOM 761 CD1 TYR A 51 1.127 15.114 4.534 1.00 0.00 C ATOM 762 CD2 TYR A 51 -0.378 14.165 2.938 1.00 0.00 C ATOM 763 CE1 TYR A 51 0.852 16.428 4.013 1.00 0.00 C ATOM 764 CE2 TYR A 51 -0.653 15.479 2.416 1.00 0.00 C ATOM 765 CZ TYR A 51 -0.025 16.545 2.981 1.00 0.00 C ATOM 766 OH TYR A 51 -0.285 17.787 2.488 1.00 0.00 O ATOM 0 H TYR A 51 0.855 10.266 3.222 1.00 0.00 H new ATOM 0 HA TYR A 51 2.681 12.614 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.090 11.995 4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.000 12.693 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.819 14.992 5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.864 13.301 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.331 17.300 4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.342 15.615 1.595 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.929 17.719 1.752 1.00 0.00 H new ATOM 776 N ALA A 52 3.628 11.793 5.620 1.00 0.00 N ATOM 777 CA ALA A 52 4.426 11.154 6.652 1.00 0.00 C ATOM 778 C ALA A 52 4.242 11.905 7.972 1.00 0.00 C ATOM 779 O ALA A 52 4.415 13.123 8.027 1.00 0.00 O ATOM 780 CB ALA A 52 5.889 11.104 6.208 1.00 0.00 C ATOM 0 H ALA A 52 3.809 12.789 5.497 1.00 0.00 H new ATOM 0 HA ALA A 52 4.098 10.127 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.488 10.625 6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.969 10.534 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.254 12.118 6.043 1.00 0.00 H new ATOM 786 N ALA A 53 3.893 11.149 9.003 1.00 0.00 N ATOM 787 CA ALA A 53 3.684 11.729 10.318 1.00 0.00 C ATOM 788 C ALA A 53 5.036 11.916 11.009 1.00 0.00 C ATOM 789 O ALA A 53 5.317 11.271 12.018 1.00 0.00 O ATOM 790 CB ALA A 53 2.737 10.838 11.124 1.00 0.00 C ATOM 0 H ALA A 53 3.750 10.140 8.954 1.00 0.00 H new ATOM 0 HA ALA A 53 3.217 12.711 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.580 11.273 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.781 10.760 10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.174 9.845 11.230 1.00 0.00 H new ATOM 796 N ASP A 54 5.839 12.804 10.439 1.00 0.00 N ATOM 797 CA ASP A 54 7.154 13.084 10.987 1.00 0.00 C ATOM 798 C ASP A 54 7.293 14.590 11.224 1.00 0.00 C ATOM 799 O ASP A 54 6.311 15.327 11.149 1.00 0.00 O ATOM 800 CB ASP A 54 8.258 12.654 10.019 1.00 0.00 C ATOM 801 CG ASP A 54 8.579 13.664 8.915 1.00 0.00 C ATOM 802 OD1 ASP A 54 7.866 13.627 7.888 1.00 0.00 O ATOM 803 OD2 ASP A 54 9.529 14.449 9.122 1.00 0.00 O ATOM 0 H ASP A 54 5.603 13.338 9.603 1.00 0.00 H new ATOM 0 HA ASP A 54 7.256 12.528 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.166 12.461 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.967 11.711 9.555 1.00 0.00 H new ATOM 808 N ARG A 55 8.521 15.002 11.504 1.00 0.00 N ATOM 809 CA ARG A 55 8.801 16.406 11.752 1.00 0.00 C ATOM 810 C ARG A 55 8.034 16.891 12.983 1.00 0.00 C ATOM 811 O ARG A 55 6.982 17.517 12.857 1.00 0.00 O ATOM 812 CB ARG A 55 8.414 17.266 10.546 1.00 0.00 C ATOM 813 CG ARG A 55 9.655 17.839 9.860 1.00 0.00 C ATOM 814 CD ARG A 55 9.387 19.249 9.329 1.00 0.00 C ATOM 815 NE ARG A 55 10.608 19.791 8.694 1.00 0.00 N ATOM 816 CZ ARG A 55 10.607 20.772 7.781 1.00 0.00 C ATOM 817 NH1 ARG A 55 9.450 21.324 7.390 1.00 0.00 N ATOM 818 NH2 ARG A 55 11.764 21.202 7.257 1.00 0.00 N ATOM 0 H ARG A 55 9.333 14.388 11.565 1.00 0.00 H new ATOM 0 HA ARG A 55 9.873 16.505 11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.845 16.667 9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.764 18.080 10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.486 17.864 10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.954 17.188 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.571 19.225 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.072 19.900 10.145 1.00 0.00 H new ATOM 0 HE ARG A 55 11.506 19.393 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.569 20.998 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.450 22.071 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.645 20.782 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.763 21.949 6.562 1.00 0.00 H new ATOM 832 N ASN A 56 8.589 16.585 14.145 1.00 0.00 N ATOM 833 CA ASN A 56 7.971 16.981 15.399 1.00 0.00 C ATOM 834 C ASN A 56 6.532 16.462 15.439 1.00 0.00 C ATOM 835 O ASN A 56 5.653 17.101 16.016 1.00 0.00 O ATOM 836 CB ASN A 56 7.928 18.504 15.534 1.00 0.00 C ATOM 837 CG ASN A 56 7.778 18.921 16.998 1.00 0.00 C ATOM 838 OD1 ASN A 56 8.110 18.189 17.916 1.00 0.00 O ATOM 839 ND2 ASN A 56 7.259 20.134 17.165 1.00 0.00 N ATOM 0 H ASN A 56 9.462 16.066 14.245 1.00 0.00 H new ATOM 0 HA ASN A 56 8.562 16.563 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.840 18.935 15.121 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.096 18.901 14.952 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.117 20.503 18.105 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.002 20.695 16.353 1.00 0.00 H new ATOM 846 N CYS A 57 6.336 15.307 14.820 1.00 0.00 N ATOM 847 CA CYS A 57 5.019 14.696 14.777 1.00 0.00 C ATOM 848 C CYS A 57 4.109 15.572 13.914 1.00 0.00 C ATOM 849 O CYS A 57 3.357 16.394 14.436 1.00 0.00 O ATOM 850 CB CYS A 57 4.446 14.487 16.180 1.00 0.00 C ATOM 851 SG CYS A 57 4.845 12.802 16.775 1.00 0.00 S ATOM 0 H CYS A 57 7.067 14.779 14.344 1.00 0.00 H new ATOM 0 HA CYS A 57 5.092 13.703 14.334 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.857 15.230 16.864 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.366 14.630 16.166 1.00 0.00 H new ATOM 0 HG CYS A 57 4.356 12.636 17.968 1.00 0.00 H new ATOM 857 N MET A 58 4.207 15.366 12.610 1.00 0.00 N ATOM 858 CA MET A 58 3.401 16.128 11.670 1.00 0.00 C ATOM 859 C MET A 58 3.339 15.429 10.309 1.00 0.00 C ATOM 860 O MET A 58 4.237 14.666 9.958 1.00 0.00 O ATOM 861 CB MET A 58 4.000 17.525 11.499 1.00 0.00 C ATOM 862 CG MET A 58 3.254 18.550 12.356 1.00 0.00 C ATOM 863 SD MET A 58 2.753 19.938 11.352 1.00 0.00 S ATOM 864 CE MET A 58 1.400 19.197 10.453 1.00 0.00 C ATOM 0 H MET A 58 4.832 14.683 12.181 1.00 0.00 H new ATOM 0 HA MET A 58 2.388 16.203 12.066 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.053 17.510 11.779 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.953 17.819 10.450 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.379 18.087 12.813 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.895 18.891 13.169 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.836 19.975 9.938 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.793 18.489 9.723 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.744 18.674 11.149 1.00 0.00 H new ATOM 874 N TRP A 59 2.270 15.717 9.581 1.00 0.00 N ATOM 875 CA TRP A 59 2.080 15.127 8.267 1.00 0.00 C ATOM 876 C TRP A 59 2.964 15.883 7.275 1.00 0.00 C ATOM 877 O TRP A 59 2.829 17.096 7.116 1.00 0.00 O ATOM 878 CB TRP A 59 0.601 15.131 7.873 1.00 0.00 C ATOM 879 CG TRP A 59 -0.333 14.592 8.958 1.00 0.00 C ATOM 880 CD1 TRP A 59 -1.168 15.283 9.747 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.496 13.210 9.344 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.853 14.451 10.609 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.432 13.152 10.356 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.127 12.049 8.853 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.828 11.954 10.964 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.280 10.861 9.472 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.221 10.785 10.492 1.00 0.00 C ATOM 0 H TRP A 59 1.527 16.351 9.876 1.00 0.00 H new ATOM 0 HA TRP A 59 2.379 14.079 8.269 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.304 16.150 7.626 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.475 14.534 6.970 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.289 16.356 9.712 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.542 14.738 11.304 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.861 12.072 8.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.563 11.934 11.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.169 9.939 9.133 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.483 9.828 10.918 1.00 0.00 H new ATOM 898 N SER A 60 3.852 15.137 6.634 1.00 0.00 N ATOM 899 CA SER A 60 4.760 15.723 5.661 1.00 0.00 C ATOM 900 C SER A 60 4.561 15.062 4.296 1.00 0.00 C ATOM 901 O SER A 60 4.913 13.898 4.109 1.00 0.00 O ATOM 902 CB SER A 60 6.215 15.584 6.112 1.00 0.00 C ATOM 903 OG SER A 60 7.127 16.043 5.119 1.00 0.00 O ATOM 0 H SER A 60 3.962 14.132 6.769 1.00 0.00 H new ATOM 0 HA SER A 60 4.534 16.786 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.365 16.150 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.425 14.540 6.342 1.00 0.00 H new ATOM 0 HG SER A 60 8.045 15.939 5.445 1.00 0.00 H new ATOM 909 N LYS A 61 3.998 15.833 3.376 1.00 0.00 N ATOM 910 CA LYS A 61 3.749 15.337 2.034 1.00 0.00 C ATOM 911 C LYS A 61 5.078 14.940 1.387 1.00 0.00 C ATOM 912 O LYS A 61 6.011 15.739 1.339 1.00 0.00 O ATOM 913 CB LYS A 61 2.952 16.360 1.224 1.00 0.00 C ATOM 914 CG LYS A 61 3.773 17.628 0.980 1.00 0.00 C ATOM 915 CD LYS A 61 4.428 17.600 -0.403 1.00 0.00 C ATOM 916 CE LYS A 61 5.429 18.746 -0.559 1.00 0.00 C ATOM 917 NZ LYS A 61 6.770 18.220 -0.902 1.00 0.00 N ATOM 0 H LYS A 61 3.707 16.798 3.535 1.00 0.00 H new ATOM 0 HA LYS A 61 3.130 14.440 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.658 15.924 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.034 16.613 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.130 18.504 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.541 17.722 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.936 16.647 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.661 17.675 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.090 19.429 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.482 19.319 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.437 19.011 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.098 17.586 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.718 17.693 -1.797 1.00 0.00 H new ATOM 931 N LYS A 62 5.120 13.707 0.905 1.00 0.00 N ATOM 932 CA LYS A 62 6.318 13.195 0.264 1.00 0.00 C ATOM 933 C LYS A 62 6.165 13.305 -1.255 1.00 0.00 C ATOM 934 O LYS A 62 7.144 13.528 -1.966 1.00 0.00 O ATOM 935 CB LYS A 62 6.622 11.776 0.749 1.00 0.00 C ATOM 936 CG LYS A 62 7.535 11.800 1.977 1.00 0.00 C ATOM 937 CD LYS A 62 8.903 11.194 1.655 1.00 0.00 C ATOM 938 CE LYS A 62 10.033 12.132 2.086 1.00 0.00 C ATOM 939 NZ LYS A 62 11.131 11.365 2.716 1.00 0.00 N ATOM 0 H LYS A 62 4.343 13.047 0.946 1.00 0.00 H new ATOM 0 HA LYS A 62 7.184 13.795 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.691 11.264 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.097 11.208 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.660 12.826 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.070 11.245 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.008 10.235 2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.976 10.999 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.412 12.677 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.651 12.874 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.889 12.016 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.769 10.865 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.507 10.674 2.036 1.00 0.00 H new ATOM 953 N CYS A 63 4.930 13.143 -1.706 1.00 0.00 N ATOM 954 CA CYS A 63 4.636 13.221 -3.127 1.00 0.00 C ATOM 955 C CYS A 63 3.216 12.699 -3.353 1.00 0.00 C ATOM 956 O CYS A 63 2.895 11.576 -2.969 1.00 0.00 O ATOM 957 CB CYS A 63 5.665 12.455 -3.961 1.00 0.00 C ATOM 958 SG CYS A 63 6.831 13.627 -4.746 1.00 0.00 S ATOM 0 H CYS A 63 4.121 12.958 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 63 4.698 14.258 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.211 11.756 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.159 11.865 -4.726 1.00 0.00 H new ATOM 0 HG CYS A 63 7.586 14.164 -3.834 1.00 0.00 H new ATOM 964 N SER A 64 2.402 13.540 -3.976 1.00 0.00 N ATOM 965 CA SER A 64 1.024 13.177 -4.258 1.00 0.00 C ATOM 966 C SER A 64 0.875 12.793 -5.732 1.00 0.00 C ATOM 967 O SER A 64 1.781 13.023 -6.531 1.00 0.00 O ATOM 968 CB SER A 64 0.071 14.322 -3.909 1.00 0.00 C ATOM 969 OG SER A 64 0.764 15.551 -3.711 1.00 0.00 O ATOM 0 H SER A 64 2.671 14.471 -4.293 1.00 0.00 H new ATOM 0 HA SER A 64 0.762 12.320 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.659 14.442 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.484 14.069 -3.006 1.00 0.00 H new ATOM 0 HG SER A 64 1.219 15.807 -4.540 1.00 0.00 H new ATOM 975 N GLY A 65 -0.275 12.214 -6.046 1.00 0.00 N ATOM 976 CA GLY A 65 -0.553 11.796 -7.408 1.00 0.00 C ATOM 977 C GLY A 65 -1.645 10.724 -7.441 1.00 0.00 C ATOM 978 O GLY A 65 -2.410 10.584 -6.487 1.00 0.00 O ATOM 0 H GLY A 65 -1.024 12.025 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.865 12.657 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.357 11.408 -7.866 1.00 0.00 H new ATOM 982 N VAL A 66 -1.684 9.997 -8.547 1.00 0.00 N ATOM 983 CA VAL A 66 -2.669 8.943 -8.716 1.00 0.00 C ATOM 984 C VAL A 66 -2.107 7.632 -8.163 1.00 0.00 C ATOM 985 O VAL A 66 -1.005 7.224 -8.525 1.00 0.00 O ATOM 986 CB VAL A 66 -3.082 8.843 -10.186 1.00 0.00 C ATOM 987 CG1 VAL A 66 -4.296 7.926 -10.354 1.00 0.00 C ATOM 988 CG2 VAL A 66 -3.357 10.229 -10.774 1.00 0.00 C ATOM 0 H VAL A 66 -1.049 10.117 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.574 9.172 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.251 8.403 -10.738 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.569 7.873 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.051 6.928 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.134 8.324 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.649 10.129 -11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.162 10.707 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.456 10.839 -10.705 1.00 0.00 H new ATOM 998 N ALA A 67 -2.891 7.009 -7.294 1.00 0.00 N ATOM 999 CA ALA A 67 -2.485 5.752 -6.687 1.00 0.00 C ATOM 1000 C ALA A 67 -3.506 4.669 -7.039 1.00 0.00 C ATOM 1001 O ALA A 67 -4.708 4.925 -7.056 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.331 5.942 -5.177 1.00 0.00 C ATOM 0 H ALA A 67 -3.805 7.351 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.518 5.431 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.027 5.000 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.574 6.701 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.283 6.260 -4.751 1.00 0.00 H new ATOM 1008 N CYS A 68 -2.987 3.480 -7.312 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.839 2.356 -7.662 1.00 0.00 C ATOM 1010 C CYS A 68 -3.347 1.124 -6.899 1.00 0.00 C ATOM 1011 O CYS A 68 -2.144 0.949 -6.704 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.867 2.116 -9.174 1.00 0.00 C ATOM 1013 SG CYS A 68 -2.185 1.721 -9.776 1.00 0.00 S ATOM 0 H CYS A 68 -1.989 3.271 -7.298 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.868 2.574 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.548 1.297 -9.408 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.246 3.001 -9.684 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.595 2.813 -10.163 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.301 0.302 -6.488 1.00 0.00 N ATOM 1020 CA LEU A 69 -3.979 -0.908 -5.750 1.00 0.00 C ATOM 1021 C LEU A 69 -3.977 -2.100 -6.709 1.00 0.00 C ATOM 1022 O LEU A 69 -4.980 -2.376 -7.364 1.00 0.00 O ATOM 1023 CB LEU A 69 -4.927 -1.078 -4.560 1.00 0.00 C ATOM 1024 CG LEU A 69 -6.159 -1.952 -4.804 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -5.814 -3.436 -4.664 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -7.312 -1.542 -3.886 1.00 0.00 C ATOM 0 H LEU A 69 -5.297 0.450 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.978 -0.839 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.363 -1.503 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.263 -0.090 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.493 -1.794 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.707 -4.035 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.047 -3.702 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.442 -3.630 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.175 -2.179 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.006 -1.652 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.578 -0.502 -4.078 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.837 -2.774 -6.762 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.691 -3.929 -7.631 1.00 0.00 C ATOM 1040 C VAL A 70 -2.506 -5.185 -6.774 1.00 0.00 C ATOM 1041 O VAL A 70 -1.911 -5.125 -5.699 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.541 -3.702 -8.614 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -1.370 -4.905 -9.544 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.751 -2.415 -9.415 1.00 0.00 C ATOM 0 H VAL A 70 -2.006 -2.542 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.590 -4.073 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.623 -3.591 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.546 -4.718 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.154 -5.794 -8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.288 -5.061 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.920 -2.277 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.683 -2.484 -9.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.801 -1.566 -8.733 1.00 0.00 H new ATOM 1054 N LYS A 71 -3.027 -6.291 -7.285 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.926 -7.558 -6.581 1.00 0.00 C ATOM 1056 C LYS A 71 -2.483 -8.647 -7.561 1.00 0.00 C ATOM 1057 O LYS A 71 -3.193 -8.952 -8.518 1.00 0.00 O ATOM 1058 CB LYS A 71 -4.239 -7.876 -5.861 1.00 0.00 C ATOM 1059 CG LYS A 71 -5.409 -7.908 -6.844 1.00 0.00 C ATOM 1060 CD LYS A 71 -6.308 -9.119 -6.588 1.00 0.00 C ATOM 1061 CE LYS A 71 -6.303 -10.069 -7.788 1.00 0.00 C ATOM 1062 NZ LYS A 71 -7.631 -10.701 -7.953 1.00 0.00 N ATOM 0 H LYS A 71 -3.520 -6.336 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.166 -7.502 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.157 -8.839 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.426 -7.127 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.992 -6.992 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.030 -7.942 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.966 -9.649 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.326 -8.785 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.040 -9.521 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.543 -10.837 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.611 -11.343 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.868 -11.240 -7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.349 -9.965 -8.108 1.00 0.00 H new ATOM 1076 N ASP A 72 -1.313 -9.203 -7.287 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.766 -10.251 -8.132 1.00 0.00 C ATOM 1078 C ASP A 72 -1.464 -11.575 -7.812 1.00 0.00 C ATOM 1079 O ASP A 72 -1.513 -11.990 -6.655 1.00 0.00 O ATOM 1080 CB ASP A 72 0.732 -10.435 -7.884 1.00 0.00 C ATOM 1081 CG ASP A 72 1.547 -9.139 -7.852 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.930 -8.088 -7.573 1.00 0.00 O ATOM 1083 OD2 ASP A 72 2.767 -9.230 -8.110 1.00 0.00 O ATOM 0 H ASP A 72 -0.728 -8.948 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.926 -9.963 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.867 -10.955 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.137 -11.082 -8.662 1.00 0.00 H new ATOM 1157 N SER A 77 0.444 -11.811 -4.178 1.00 0.00 N ATOM 1158 CA SER A 77 0.845 -10.660 -3.390 1.00 0.00 C ATOM 1159 C SER A 77 0.390 -9.371 -4.076 1.00 0.00 C ATOM 1160 O SER A 77 0.169 -9.352 -5.286 1.00 0.00 O ATOM 1161 CB SER A 77 2.360 -10.640 -3.174 1.00 0.00 C ATOM 1162 OG SER A 77 3.074 -10.879 -4.384 1.00 0.00 O ATOM 0 HA SER A 77 0.367 -10.732 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.655 -9.674 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.631 -11.396 -2.437 1.00 0.00 H new ATOM 0 HG SER A 77 3.505 -10.050 -4.678 1.00 0.00 H new ATOM 1168 N TYR A 78 0.262 -8.323 -3.274 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.163 -7.033 -3.789 1.00 0.00 C ATOM 1170 C TYR A 78 0.973 -6.012 -3.717 1.00 0.00 C ATOM 1171 O TYR A 78 1.979 -6.245 -3.048 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.306 -6.572 -2.881 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.243 -7.698 -2.439 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.526 -8.739 -3.300 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -2.804 -7.674 -1.178 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -3.408 -9.798 -2.883 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -3.685 -8.734 -0.762 1.00 0.00 C ATOM 1178 CZ TYR A 78 -3.944 -9.744 -1.635 1.00 0.00 C ATOM 1179 OH TYR A 78 -4.776 -10.745 -1.241 1.00 0.00 O ATOM 0 H TYR A 78 0.445 -8.342 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.466 -7.118 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.884 -6.096 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.888 -5.813 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.086 -8.759 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.582 -6.860 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.639 -10.618 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.130 -8.727 0.222 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.082 -10.575 -0.326 1.00 0.00 H new ATOM 1189 N PHE A 79 0.775 -4.904 -4.415 1.00 0.00 N ATOM 1190 CA PHE A 79 1.772 -3.846 -4.439 1.00 0.00 C ATOM 1191 C PHE A 79 1.116 -2.481 -4.654 1.00 0.00 C ATOM 1192 O PHE A 79 0.343 -2.300 -5.593 1.00 0.00 O ATOM 1193 CB PHE A 79 2.708 -4.140 -5.614 1.00 0.00 C ATOM 1194 CG PHE A 79 3.480 -5.454 -5.480 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.888 -6.629 -5.824 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.758 -5.447 -5.017 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.605 -7.848 -5.701 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.475 -6.666 -4.893 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.884 -7.841 -5.237 1.00 0.00 C ATOM 0 H PHE A 79 -0.061 -4.715 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 79 2.307 -3.817 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.123 -4.166 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.420 -3.320 -5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.872 -6.635 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.228 -4.514 -4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.135 -8.781 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.490 -6.660 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.429 -8.768 -5.142 1.00 0.00 H new ATOM 1209 N LEU A 80 1.450 -1.554 -3.768 1.00 0.00 N ATOM 1210 CA LEU A 80 0.904 -0.210 -3.848 1.00 0.00 C ATOM 1211 C LEU A 80 1.922 0.710 -4.525 1.00 0.00 C ATOM 1212 O LEU A 80 3.008 0.937 -3.994 1.00 0.00 O ATOM 1213 CB LEU A 80 0.463 0.272 -2.465 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.047 0.392 -2.247 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -1.387 0.387 -0.754 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.608 1.625 -2.958 1.00 0.00 C ATOM 0 H LEU A 80 2.092 -1.708 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 80 0.005 -0.200 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.865 -0.413 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.915 1.246 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.527 -0.481 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.466 0.473 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.042 -0.545 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.895 1.229 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.683 1.686 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.127 2.521 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.415 1.547 -4.028 1.00 0.00 H new ATOM 1228 N ARG A 81 1.534 1.215 -5.686 1.00 0.00 N ATOM 1229 CA ARG A 81 2.400 2.105 -6.441 1.00 0.00 C ATOM 1230 C ARG A 81 1.673 3.415 -6.751 1.00 0.00 C ATOM 1231 O ARG A 81 0.495 3.408 -7.103 1.00 0.00 O ATOM 1232 CB ARG A 81 2.849 1.457 -7.753 1.00 0.00 C ATOM 1233 CG ARG A 81 3.527 0.110 -7.494 1.00 0.00 C ATOM 1234 CD ARG A 81 5.049 0.239 -7.568 1.00 0.00 C ATOM 1235 NE ARG A 81 5.663 -1.098 -7.732 1.00 0.00 N ATOM 1236 CZ ARG A 81 5.690 -2.035 -6.774 1.00 0.00 C ATOM 1237 NH1 ARG A 81 5.138 -1.787 -5.579 1.00 0.00 N ATOM 1238 NH2 ARG A 81 6.269 -3.219 -7.012 1.00 0.00 N ATOM 0 H ARG A 81 0.632 1.025 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 81 3.280 2.308 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.988 1.315 -8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.539 2.121 -8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.238 -0.264 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.184 -0.620 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.328 0.881 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.427 0.713 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 81 6.092 -1.320 -8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.697 -0.885 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.158 -2.500 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.689 -3.407 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.290 -3.932 -6.283 1.00 0.00 H new ATOM 1252 N ILE A 82 2.407 4.510 -6.609 1.00 0.00 N ATOM 1253 CA ILE A 82 1.847 5.825 -6.869 1.00 0.00 C ATOM 1254 C ILE A 82 2.544 6.440 -8.084 1.00 0.00 C ATOM 1255 O ILE A 82 3.758 6.312 -8.238 1.00 0.00 O ATOM 1256 CB ILE A 82 1.917 6.695 -5.613 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.823 6.307 -4.616 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.865 8.182 -5.972 1.00 0.00 C ATOM 1259 CD1 ILE A 82 1.169 6.795 -3.207 1.00 0.00 C ATOM 0 H ILE A 82 3.384 4.513 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 82 0.788 5.747 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 82 2.875 6.515 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.129 6.735 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.699 5.224 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.916 8.778 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.708 8.430 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.933 8.398 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.376 6.507 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.109 6.346 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.269 7.880 -3.212 1.00 0.00 H new ATOM 1271 N PHE A 83 1.748 7.096 -8.915 1.00 0.00 N ATOM 1272 CA PHE A 83 2.274 7.732 -10.112 1.00 0.00 C ATOM 1273 C PHE A 83 2.013 9.239 -10.091 1.00 0.00 C ATOM 1274 O PHE A 83 0.926 9.680 -9.722 1.00 0.00 O ATOM 1275 CB PHE A 83 1.542 7.115 -11.305 1.00 0.00 C ATOM 1276 CG PHE A 83 0.310 6.293 -10.922 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.436 5.226 -10.087 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.912 6.628 -11.416 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -0.707 4.464 -9.731 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -2.055 5.865 -11.061 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.929 4.799 -10.226 1.00 0.00 C ATOM 0 H PHE A 83 0.742 7.201 -8.783 1.00 0.00 H new ATOM 0 HA PHE A 83 3.351 7.578 -10.173 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.238 7.912 -11.983 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.235 6.477 -11.853 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.406 4.959 -9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.013 7.475 -12.079 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.607 3.618 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.025 6.131 -11.454 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.799 4.219 -9.956 1.00 0.00 H new ATOM 1291 N ASP A 84 3.028 9.989 -10.494 1.00 0.00 N ATOM 1292 CA ASP A 84 2.922 11.437 -10.527 1.00 0.00 C ATOM 1293 C ASP A 84 2.000 11.851 -11.676 1.00 0.00 C ATOM 1294 O ASP A 84 1.788 11.083 -12.612 1.00 0.00 O ATOM 1295 CB ASP A 84 4.289 12.085 -10.760 1.00 0.00 C ATOM 1296 CG ASP A 84 4.399 13.543 -10.309 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.339 14.117 -9.980 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.541 14.050 -10.303 1.00 0.00 O ATOM 0 H ASP A 84 3.928 9.620 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 84 2.526 11.768 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.045 11.500 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.524 12.031 -11.823 1.00 0.00 H new ATOM 1303 N ILE A 85 1.478 13.064 -11.565 1.00 0.00 N ATOM 1304 CA ILE A 85 0.584 13.588 -12.584 1.00 0.00 C ATOM 1305 C ILE A 85 1.334 14.615 -13.435 1.00 0.00 C ATOM 1306 O ILE A 85 0.831 15.059 -14.465 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.694 14.135 -11.945 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.640 14.701 -13.007 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.368 15.165 -10.860 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -3.045 14.904 -12.436 1.00 0.00 C ATOM 0 H ILE A 85 1.657 13.698 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 85 0.262 12.791 -13.255 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.213 13.309 -11.459 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.252 15.651 -13.376 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.684 14.023 -13.859 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.294 15.538 -10.422 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.238 14.697 -10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.185 15.995 -11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.698 15.307 -13.210 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.439 13.948 -12.090 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.001 15.602 -11.600 1.00 0.00 H new ATOM 1322 N LYS A 86 2.526 14.962 -12.972 1.00 0.00 N ATOM 1323 CA LYS A 86 3.350 15.928 -13.677 1.00 0.00 C ATOM 1324 C LYS A 86 4.574 15.218 -14.260 1.00 0.00 C ATOM 1325 O LYS A 86 4.954 15.466 -15.404 1.00 0.00 O ATOM 1326 CB LYS A 86 3.699 17.104 -12.763 1.00 0.00 C ATOM 1327 CG LYS A 86 3.460 18.439 -13.472 1.00 0.00 C ATOM 1328 CD LYS A 86 4.780 19.054 -13.944 1.00 0.00 C ATOM 1329 CE LYS A 86 4.768 19.281 -15.457 1.00 0.00 C ATOM 1330 NZ LYS A 86 4.573 20.715 -15.765 1.00 0.00 N ATOM 0 H LYS A 86 2.941 14.591 -12.117 1.00 0.00 H new ATOM 0 HA LYS A 86 2.801 16.358 -14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.095 17.056 -11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.742 17.033 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.799 18.288 -14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.955 19.129 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.948 20.001 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.608 18.397 -13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.706 18.934 -15.890 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.971 18.694 -15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.567 20.851 -16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.666 21.035 -15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.348 21.268 -15.347 1.00 0.00 H new ATOM 1344 N ASP A 87 5.158 14.350 -13.448 1.00 0.00 N ATOM 1345 CA ASP A 87 6.331 13.603 -13.869 1.00 0.00 C ATOM 1346 C ASP A 87 5.892 12.258 -14.451 1.00 0.00 C ATOM 1347 O ASP A 87 6.684 11.564 -15.087 1.00 0.00 O ATOM 1348 CB ASP A 87 7.261 13.325 -12.686 1.00 0.00 C ATOM 1349 CG ASP A 87 8.754 13.368 -13.013 1.00 0.00 C ATOM 1350 OD1 ASP A 87 9.099 14.043 -14.007 1.00 0.00 O ATOM 1351 OD2 ASP A 87 9.519 12.724 -12.262 1.00 0.00 O ATOM 0 H ASP A 87 4.841 14.147 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 87 6.861 14.199 -14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.055 14.054 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.022 12.343 -12.278 1.00 0.00 H new ATOM 1356 N GLY A 88 4.630 11.930 -14.213 1.00 0.00 N ATOM 1357 CA GLY A 88 4.077 10.680 -14.706 1.00 0.00 C ATOM 1358 C GLY A 88 5.058 9.525 -14.498 1.00 0.00 C ATOM 1359 O GLY A 88 5.335 8.767 -15.426 1.00 0.00 O ATOM 0 H GLY A 88 3.975 12.508 -13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.141 10.464 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.842 10.775 -15.766 1.00 0.00 H new ATOM 1363 N LYS A 89 5.558 9.429 -13.275 1.00 0.00 N ATOM 1364 CA LYS A 89 6.503 8.379 -12.934 1.00 0.00 C ATOM 1365 C LYS A 89 6.236 7.902 -11.506 1.00 0.00 C ATOM 1366 O LYS A 89 5.359 8.432 -10.824 1.00 0.00 O ATOM 1367 CB LYS A 89 7.939 8.855 -13.164 1.00 0.00 C ATOM 1368 CG LYS A 89 8.403 8.535 -14.586 1.00 0.00 C ATOM 1369 CD LYS A 89 9.703 9.268 -14.918 1.00 0.00 C ATOM 1370 CE LYS A 89 9.655 9.860 -16.329 1.00 0.00 C ATOM 1371 NZ LYS A 89 10.990 10.359 -16.727 1.00 0.00 N ATOM 0 H LYS A 89 5.327 10.061 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 89 6.368 7.518 -13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.002 9.929 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.604 8.377 -12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.551 7.460 -14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.629 8.821 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.872 10.063 -14.192 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.544 8.579 -14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.318 9.102 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.931 10.674 -16.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.940 10.757 -17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.297 11.097 -16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.672 9.574 -16.713 1.00 0.00 H new ATOM 1385 N LEU A 90 7.007 6.906 -11.094 1.00 0.00 N ATOM 1386 CA LEU A 90 6.864 6.351 -9.758 1.00 0.00 C ATOM 1387 C LEU A 90 7.365 7.368 -8.732 1.00 0.00 C ATOM 1388 O LEU A 90 8.516 7.798 -8.791 1.00 0.00 O ATOM 1389 CB LEU A 90 7.557 4.990 -9.666 1.00 0.00 C ATOM 1390 CG LEU A 90 6.687 3.824 -9.192 1.00 0.00 C ATOM 1391 CD1 LEU A 90 5.698 3.401 -10.280 1.00 0.00 C ATOM 1392 CD2 LEU A 90 7.550 2.655 -8.715 1.00 0.00 C ATOM 0 H LEU A 90 7.733 6.469 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 90 5.814 6.163 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.958 4.742 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.406 5.082 -8.989 1.00 0.00 H new ATOM 0 HG LEU A 90 6.100 4.160 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.092 2.571 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.050 4.241 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.246 3.089 -11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.907 1.840 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.180 2.310 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.179 2.981 -7.886 1.00 0.00 H new ATOM 1404 N LEU A 91 6.477 7.722 -7.815 1.00 0.00 N ATOM 1405 CA LEU A 91 6.816 8.681 -6.776 1.00 0.00 C ATOM 1406 C LEU A 91 6.825 7.974 -5.419 1.00 0.00 C ATOM 1407 O LEU A 91 7.348 8.507 -4.442 1.00 0.00 O ATOM 1408 CB LEU A 91 5.878 9.888 -6.835 1.00 0.00 C ATOM 1409 CG LEU A 91 6.212 10.946 -7.888 1.00 0.00 C ATOM 1410 CD1 LEU A 91 5.237 12.123 -7.812 1.00 0.00 C ATOM 1411 CD2 LEU A 91 7.668 11.400 -7.768 1.00 0.00 C ATOM 0 H LEU A 91 5.524 7.363 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 91 7.819 9.078 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.866 9.528 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.873 10.367 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 91 6.096 10.494 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.497 12.861 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.222 11.766 -7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.297 12.582 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.878 12.152 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.836 11.827 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.329 10.545 -7.911 1.00 0.00 H new ATOM 1423 N TRP A 92 6.239 6.786 -5.403 1.00 0.00 N ATOM 1424 CA TRP A 92 6.173 6.001 -4.182 1.00 0.00 C ATOM 1425 C TRP A 92 5.849 4.556 -4.566 1.00 0.00 C ATOM 1426 O TRP A 92 5.099 4.314 -5.511 1.00 0.00 O ATOM 1427 CB TRP A 92 5.164 6.599 -3.200 1.00 0.00 C ATOM 1428 CG TRP A 92 4.951 5.760 -1.938 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.722 5.709 -0.843 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.861 4.850 -1.685 1.00 0.00 C ATOM 1431 NE1 TRP A 92 5.209 4.835 0.095 1.00 0.00 N ATOM 1432 CE2 TRP A 92 4.042 4.296 -0.433 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.758 4.505 -2.486 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 3.160 3.365 0.128 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.886 3.574 -1.910 1.00 0.00 C ATOM 1436 CH2 TRP A 92 2.054 3.006 -0.652 1.00 0.00 C ATOM 0 H TRP A 92 5.806 6.348 -6.216 1.00 0.00 H new ATOM 0 HA TRP A 92 7.130 6.017 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.501 7.594 -2.910 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.207 6.722 -3.708 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.630 6.279 -0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.612 4.624 1.008 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.597 4.925 -3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.324 2.946 1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 1.021 3.275 -2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.335 2.292 -0.279 1.00 0.00 H new ATOM 1447 N GLU A 93 6.430 3.633 -3.814 1.00 0.00 N ATOM 1448 CA GLU A 93 6.213 2.218 -4.064 1.00 0.00 C ATOM 1449 C GLU A 93 6.368 1.420 -2.767 1.00 0.00 C ATOM 1450 O GLU A 93 7.403 1.496 -2.108 1.00 0.00 O ATOM 1451 CB GLU A 93 7.165 1.699 -5.144 1.00 0.00 C ATOM 1452 CG GLU A 93 7.244 0.172 -5.117 1.00 0.00 C ATOM 1453 CD GLU A 93 8.593 -0.297 -4.566 1.00 0.00 C ATOM 1454 OE1 GLU A 93 9.162 0.453 -3.744 1.00 0.00 O ATOM 1455 OE2 GLU A 93 9.025 -1.394 -4.981 1.00 0.00 O ATOM 0 H GLU A 93 7.051 3.837 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 93 5.195 2.086 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.824 2.032 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.158 2.121 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.437 -0.227 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.102 -0.221 -6.124 1.00 0.00 H new ATOM 1462 N GLN A 94 5.323 0.673 -2.441 1.00 0.00 N ATOM 1463 CA GLN A 94 5.330 -0.138 -1.236 1.00 0.00 C ATOM 1464 C GLN A 94 4.924 -1.576 -1.562 1.00 0.00 C ATOM 1465 O GLN A 94 3.977 -1.803 -2.313 1.00 0.00 O ATOM 1466 CB GLN A 94 4.414 0.461 -0.167 1.00 0.00 C ATOM 1467 CG GLN A 94 5.213 0.876 1.070 1.00 0.00 C ATOM 1468 CD GLN A 94 5.640 -0.349 1.883 1.00 0.00 C ATOM 1469 OE1 GLN A 94 6.809 -0.684 1.981 1.00 0.00 O ATOM 1470 NE2 GLN A 94 4.631 -0.996 2.456 1.00 0.00 N ATOM 0 H GLN A 94 4.466 0.613 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 94 6.343 -0.149 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.892 1.327 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.653 -0.267 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.094 1.440 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.610 1.538 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.675 -0.661 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.812 -1.827 3.019 1.00 0.00 H new ATOM 1479 N GLU A 95 5.662 -2.512 -0.982 1.00 0.00 N ATOM 1480 CA GLU A 95 5.391 -3.922 -1.201 1.00 0.00 C ATOM 1481 C GLU A 95 4.359 -4.427 -0.192 1.00 0.00 C ATOM 1482 O GLU A 95 4.718 -4.922 0.875 1.00 0.00 O ATOM 1483 CB GLU A 95 6.679 -4.745 -1.126 1.00 0.00 C ATOM 1484 CG GLU A 95 7.512 -4.576 -2.399 1.00 0.00 C ATOM 1485 CD GLU A 95 8.944 -5.072 -2.186 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.773 -4.244 -1.751 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.177 -6.269 -2.463 1.00 0.00 O ATOM 0 H GLU A 95 6.448 -2.321 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 95 4.979 -4.042 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.264 -4.434 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.435 -5.798 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.050 -5.129 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.527 -3.526 -2.692 1.00 0.00 H new ATOM 1494 N LEU A 96 3.095 -4.284 -0.565 1.00 0.00 N ATOM 1495 CA LEU A 96 2.008 -4.720 0.295 1.00 0.00 C ATOM 1496 C LEU A 96 2.406 -6.021 0.995 1.00 0.00 C ATOM 1497 O LEU A 96 3.192 -6.801 0.460 1.00 0.00 O ATOM 1498 CB LEU A 96 0.704 -4.823 -0.501 1.00 0.00 C ATOM 1499 CG LEU A 96 0.082 -3.498 -0.943 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.104 -3.735 -1.880 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -0.305 -2.644 0.267 1.00 0.00 C ATOM 0 H LEU A 96 2.800 -3.873 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 96 1.821 -3.983 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.890 -5.428 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.026 -5.360 0.104 1.00 0.00 H new ATOM 0 HG LEU A 96 0.830 -2.940 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.528 -2.777 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.767 -4.275 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.863 -4.323 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.745 -1.707 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.029 -3.184 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.583 -2.432 0.862 1.00 0.00 H new ATOM 1513 N TYR A 97 1.844 -6.215 2.179 1.00 0.00 N ATOM 1514 CA TYR A 97 2.131 -7.408 2.957 1.00 0.00 C ATOM 1515 C TYR A 97 1.135 -8.524 2.636 1.00 0.00 C ATOM 1516 O TYR A 97 0.060 -8.266 2.098 1.00 0.00 O ATOM 1517 CB TYR A 97 1.971 -7.003 4.423 1.00 0.00 C ATOM 1518 CG TYR A 97 2.426 -5.574 4.728 1.00 0.00 C ATOM 1519 CD1 TYR A 97 3.727 -5.195 4.472 1.00 0.00 C ATOM 1520 CD2 TYR A 97 1.533 -4.665 5.258 1.00 0.00 C ATOM 1521 CE1 TYR A 97 4.154 -3.850 4.759 1.00 0.00 C ATOM 1522 CE2 TYR A 97 1.960 -3.320 5.546 1.00 0.00 C ATOM 1523 CZ TYR A 97 3.250 -2.979 5.282 1.00 0.00 C ATOM 1524 OH TYR A 97 3.654 -1.708 5.552 1.00 0.00 O ATOM 0 H TYR A 97 1.191 -5.566 2.618 1.00 0.00 H new ATOM 0 HA TYR A 97 3.130 -7.782 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.924 -7.108 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.540 -7.695 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.425 -5.907 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.514 -4.962 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.170 -3.540 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.272 -2.599 5.962 1.00 0.00 H new ATOM 0 HH TYR A 97 2.903 -1.197 5.921 1.00 0.00 H new ATOM 1534 N ASN A 98 1.529 -9.742 2.980 1.00 0.00 N ATOM 1535 CA ASN A 98 0.683 -10.898 2.735 1.00 0.00 C ATOM 1536 C ASN A 98 -0.727 -10.612 3.255 1.00 0.00 C ATOM 1537 O ASN A 98 -1.692 -10.647 2.493 1.00 0.00 O ATOM 1538 CB ASN A 98 1.215 -12.133 3.466 1.00 0.00 C ATOM 1539 CG ASN A 98 0.495 -13.399 2.997 1.00 0.00 C ATOM 1540 OD1 ASN A 98 -0.669 -13.384 2.633 1.00 0.00 O ATOM 1541 ND2 ASN A 98 1.250 -14.493 3.029 1.00 0.00 N ATOM 0 H ASN A 98 2.422 -9.953 3.426 1.00 0.00 H new ATOM 0 HA ASN A 98 0.674 -11.089 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.286 -12.232 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.080 -12.010 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.861 -15.390 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.218 -14.435 3.345 1.00 0.00 H new ATOM 1548 N ASN A 99 -0.803 -10.336 4.548 1.00 0.00 N ATOM 1549 CA ASN A 99 -2.079 -10.044 5.178 1.00 0.00 C ATOM 1550 C ASN A 99 -2.244 -8.529 5.309 1.00 0.00 C ATOM 1551 O ASN A 99 -2.509 -8.021 6.398 1.00 0.00 O ATOM 1552 CB ASN A 99 -2.152 -10.650 6.581 1.00 0.00 C ATOM 1553 CG ASN A 99 -2.872 -12.000 6.558 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -4.069 -12.099 6.772 1.00 0.00 O ATOM 1555 ND2 ASN A 99 -2.076 -13.032 6.288 1.00 0.00 N ATOM 0 H ASN A 99 -0.001 -10.308 5.177 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.866 -10.473 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.145 -10.777 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.675 -9.966 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.460 -13.976 6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.082 -12.879 6.119 1.00 0.00 H new ATOM 1562 N PHE A 100 -2.081 -7.849 4.184 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.208 -6.402 4.158 1.00 0.00 C ATOM 1564 C PHE A 100 -3.512 -5.955 4.823 1.00 0.00 C ATOM 1565 O PHE A 100 -4.578 -6.492 4.530 1.00 0.00 O ATOM 1566 CB PHE A 100 -2.228 -5.980 2.688 1.00 0.00 C ATOM 1567 CG PHE A 100 -2.416 -4.476 2.474 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -1.691 -3.590 3.208 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -3.308 -4.027 1.552 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -1.865 -2.195 3.009 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -3.483 -2.632 1.353 1.00 0.00 C ATOM 1572 CZ PHE A 100 -2.757 -1.745 2.086 1.00 0.00 C ATOM 0 H PHE A 100 -1.862 -8.274 3.283 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.379 -5.946 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.294 -6.289 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.032 -6.512 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.983 -3.947 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.884 -4.732 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.289 -1.491 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.192 -2.275 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.889 -0.684 1.935 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.383 -4.974 5.705 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.538 -4.448 6.413 1.00 0.00 C ATOM 1584 C VAL A 101 -4.608 -2.933 6.211 1.00 0.00 C ATOM 1585 O VAL A 101 -3.582 -2.279 6.036 1.00 0.00 O ATOM 1586 CB VAL A 101 -4.476 -4.853 7.887 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.242 -4.258 8.568 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -5.756 -4.446 8.621 1.00 0.00 C ATOM 0 H VAL A 101 -2.497 -4.530 5.945 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.459 -4.872 6.012 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.393 -5.939 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.222 -4.561 9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.342 -4.618 8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.281 -3.170 8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.687 -4.745 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.882 -3.365 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.612 -4.938 8.159 1.00 0.00 H new ATOM 1598 N TYR A 102 -5.830 -2.421 6.242 1.00 0.00 N ATOM 1599 CA TYR A 102 -6.048 -0.995 6.064 1.00 0.00 C ATOM 1600 C TYR A 102 -6.617 -0.365 7.337 1.00 0.00 C ATOM 1601 O TYR A 102 -7.539 -0.907 7.944 1.00 0.00 O ATOM 1602 CB TYR A 102 -7.077 -0.862 4.940 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.678 0.127 3.844 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.834 1.179 4.137 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.160 -0.033 2.560 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -5.457 2.110 3.106 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -6.783 0.899 1.529 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.951 1.924 1.852 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.595 2.803 0.878 1.00 0.00 O ATOM 0 H TYR A 102 -6.679 -2.968 6.388 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.110 -0.489 5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.237 -1.842 4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.029 -0.549 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.456 1.304 5.141 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.819 -0.857 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.797 2.937 3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.153 0.786 0.521 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.107 2.614 0.064 1.00 0.00 H new ATOM 1619 N ASN A 103 -6.043 0.772 7.703 1.00 0.00 N ATOM 1620 CA ASN A 103 -6.481 1.482 8.894 1.00 0.00 C ATOM 1621 C ASN A 103 -7.231 2.748 8.479 1.00 0.00 C ATOM 1622 O ASN A 103 -6.711 3.562 7.717 1.00 0.00 O ATOM 1623 CB ASN A 103 -5.288 1.900 9.756 1.00 0.00 C ATOM 1624 CG ASN A 103 -4.890 0.781 10.720 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -5.685 -0.066 11.092 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -3.616 0.825 11.103 1.00 0.00 N ATOM 0 H ASN A 103 -5.279 1.219 7.196 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.124 0.815 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.442 2.151 9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.539 2.798 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.252 0.122 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.004 1.562 10.753 1.00 0.00 H new ATOM 1633 N SER A 104 -8.444 2.877 8.997 1.00 0.00 N ATOM 1634 CA SER A 104 -9.271 4.031 8.690 1.00 0.00 C ATOM 1635 C SER A 104 -9.907 4.575 9.971 1.00 0.00 C ATOM 1636 O SER A 104 -10.964 4.107 10.391 1.00 0.00 O ATOM 1637 CB SER A 104 -10.354 3.676 7.670 1.00 0.00 C ATOM 1638 OG SER A 104 -9.858 2.830 6.637 1.00 0.00 O ATOM 0 H SER A 104 -8.874 2.200 9.628 1.00 0.00 H new ATOM 0 HA SER A 104 -8.635 4.801 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.182 3.181 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.751 4.591 7.230 1.00 0.00 H new ATOM 0 HG SER A 104 -9.655 1.946 7.008 1.00 0.00 H new ATOM 1644 N PRO A 105 -9.217 5.582 10.573 1.00 0.00 N ATOM 1645 CA PRO A 105 -9.703 6.194 11.797 1.00 0.00 C ATOM 1646 C PRO A 105 -10.883 7.125 11.514 1.00 0.00 C ATOM 1647 O PRO A 105 -11.741 7.326 12.373 1.00 0.00 O ATOM 1648 CB PRO A 105 -8.500 6.919 12.378 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.514 7.076 11.232 1.00 0.00 C ATOM 1650 CD PRO A 105 -7.962 6.161 10.104 1.00 0.00 C ATOM 0 HA PRO A 105 -10.093 5.464 12.507 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.787 7.890 12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.059 6.350 13.197 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.483 8.112 10.894 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.506 6.817 11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.104 6.716 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.220 5.388 9.903 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.891 7.668 10.305 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.952 8.573 9.897 1.00 0.00 C ATOM 1660 C ARG A 106 -12.784 7.946 8.777 1.00 0.00 C ATOM 1661 O ARG A 106 -13.975 7.696 8.950 1.00 0.00 O ATOM 1662 CB ARG A 106 -11.382 9.908 9.414 1.00 0.00 C ATOM 1663 CG ARG A 106 -12.413 11.030 9.556 1.00 0.00 C ATOM 1664 CD ARG A 106 -12.346 11.662 10.948 1.00 0.00 C ATOM 1665 NE ARG A 106 -12.114 13.119 10.830 1.00 0.00 N ATOM 1666 CZ ARG A 106 -12.042 13.955 11.875 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -12.184 13.484 13.121 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -11.828 15.263 11.673 1.00 0.00 N ATOM 0 H ARG A 106 -10.179 7.498 9.595 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.585 8.754 10.766 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.489 10.155 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.076 9.821 8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -12.234 11.792 8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -13.413 10.634 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -13.275 11.476 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.544 11.203 11.527 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.002 13.511 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.347 12.489 13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.129 14.120 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.720 15.622 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.773 15.900 12.468 1.00 0.00 H new ATOM 1682 N GLY A 107 -12.121 7.711 7.654 1.00 0.00 N ATOM 1683 CA GLY A 107 -12.785 7.117 6.505 1.00 0.00 C ATOM 1684 C GLY A 107 -12.167 7.615 5.197 1.00 0.00 C ATOM 1685 O GLY A 107 -11.854 6.821 4.312 1.00 0.00 O ATOM 0 H GLY A 107 -11.133 7.921 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.708 6.031 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.847 7.363 6.527 1.00 0.00 H new ATOM 1689 N TYR A 108 -12.010 8.928 5.117 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.436 9.542 3.931 1.00 0.00 C ATOM 1691 C TYR A 108 -9.919 9.693 4.073 1.00 0.00 C ATOM 1692 O TYR A 108 -9.250 10.162 3.153 1.00 0.00 O ATOM 1693 CB TYR A 108 -12.066 10.932 3.828 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.074 12.041 3.471 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -10.318 12.634 4.462 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.937 12.448 2.161 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -9.384 13.677 4.126 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -10.003 13.493 1.825 1.00 0.00 C ATOM 1699 CZ TYR A 108 -9.272 14.055 2.825 1.00 0.00 C ATOM 1700 OH TYR A 108 -8.390 15.041 2.508 1.00 0.00 O ATOM 0 H TYR A 108 -12.270 9.584 5.854 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.629 8.930 3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.854 10.907 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.541 11.176 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.427 12.316 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.530 11.984 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -8.785 14.149 4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.886 13.822 0.803 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.416 15.205 1.542 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.422 9.286 5.231 1.00 0.00 N ATOM 1711 CA PHE A 109 -7.997 9.370 5.505 1.00 0.00 C ATOM 1712 C PHE A 109 -7.503 8.115 6.228 1.00 0.00 C ATOM 1713 O PHE A 109 -7.738 7.951 7.424 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.786 10.583 6.412 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.330 11.039 6.514 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.585 11.194 5.387 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -5.778 11.287 7.732 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.233 11.616 5.481 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.426 11.710 7.827 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.681 11.865 6.700 1.00 0.00 C ATOM 0 H PHE A 109 -9.980 8.897 5.991 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.443 9.460 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.390 11.411 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.152 10.345 7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -6.022 10.996 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.369 11.162 8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.642 11.740 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.989 11.909 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.652 12.185 6.772 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.828 7.262 5.471 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.299 6.027 6.025 1.00 0.00 C ATOM 1732 C HIS A 110 -4.819 6.210 6.365 1.00 0.00 C ATOM 1733 O HIS A 110 -4.104 6.936 5.674 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.548 4.855 5.074 1.00 0.00 C ATOM 1735 CG HIS A 110 -7.944 4.815 4.502 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.255 4.151 3.327 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -9.109 5.361 4.955 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.551 4.300 3.093 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -10.078 5.050 4.102 1.00 0.00 N ATOM 0 H HIS A 110 -6.635 7.402 4.479 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.822 5.786 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.832 4.907 4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.357 3.922 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.224 5.947 5.855 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.094 3.898 2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -11.056 5.327 4.188 1.00 0.00 H new ATOM 1747 N THR A 111 -4.402 5.541 7.430 1.00 0.00 N ATOM 1748 CA THR A 111 -3.018 5.621 7.870 1.00 0.00 C ATOM 1749 C THR A 111 -2.367 4.237 7.834 1.00 0.00 C ATOM 1750 O THR A 111 -3.060 3.221 7.797 1.00 0.00 O ATOM 1751 CB THR A 111 -3.001 6.265 9.257 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.115 5.681 9.926 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.332 7.758 9.215 1.00 0.00 C ATOM 0 H THR A 111 -4.997 4.941 8.001 1.00 0.00 H new ATOM 0 HA THR A 111 -2.424 6.242 7.200 1.00 0.00 H new ATOM 0 HB THR A 111 -2.019 6.124 9.709 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.177 6.042 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.306 8.165 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.599 8.276 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.327 7.898 8.793 1.00 0.00 H new ATOM 1761 N PHE A 112 -1.042 4.242 7.845 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.289 3.000 7.813 1.00 0.00 C ATOM 1763 C PHE A 112 1.200 3.255 8.052 1.00 0.00 C ATOM 1764 O PHE A 112 1.634 4.405 8.121 1.00 0.00 O ATOM 1765 CB PHE A 112 -0.474 2.400 6.418 1.00 0.00 C ATOM 1766 CG PHE A 112 0.087 3.266 5.289 1.00 0.00 C ATOM 1767 CD1 PHE A 112 -0.469 4.479 5.022 1.00 0.00 C ATOM 1768 CD2 PHE A 112 1.140 2.824 4.551 1.00 0.00 C ATOM 1769 CE1 PHE A 112 0.052 5.283 3.975 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.660 3.629 3.503 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.105 4.841 3.236 1.00 0.00 C ATOM 0 H PHE A 112 -0.471 5.087 7.876 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.645 2.329 8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.009 1.423 6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -1.537 2.236 6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.307 4.830 5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.581 1.861 4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.388 6.247 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.497 3.278 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.500 5.452 2.438 1.00 0.00 H new ATOM 1781 N ALA A 113 1.944 2.165 8.171 1.00 0.00 N ATOM 1782 CA ALA A 113 3.376 2.257 8.401 1.00 0.00 C ATOM 1783 C ALA A 113 4.112 2.121 7.067 1.00 0.00 C ATOM 1784 O ALA A 113 3.858 1.188 6.306 1.00 0.00 O ATOM 1785 CB ALA A 113 3.800 1.190 9.413 1.00 0.00 C ATOM 0 H ALA A 113 1.582 1.213 8.112 1.00 0.00 H new ATOM 0 HA ALA A 113 3.636 3.228 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.874 1.259 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.270 1.349 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.558 0.202 9.023 1.00 0.00 H new ATOM 1791 N GLY A 114 5.008 3.065 6.823 1.00 0.00 N ATOM 1792 CA GLY A 114 5.783 3.062 5.594 1.00 0.00 C ATOM 1793 C GLY A 114 7.268 2.833 5.882 1.00 0.00 C ATOM 1794 O GLY A 114 7.899 3.630 6.576 1.00 0.00 O ATOM 0 H GLY A 114 5.215 3.838 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.413 2.281 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.652 4.011 5.075 1.00 0.00 H new ATOM 1798 N ASP A 115 7.783 1.743 5.335 1.00 0.00 N ATOM 1799 CA ASP A 115 9.182 1.399 5.525 1.00 0.00 C ATOM 1800 C ASP A 115 9.463 1.232 7.019 1.00 0.00 C ATOM 1801 O ASP A 115 9.314 0.139 7.564 1.00 0.00 O ATOM 1802 CB ASP A 115 10.098 2.503 4.992 1.00 0.00 C ATOM 1803 CG ASP A 115 11.549 2.428 5.471 1.00 0.00 C ATOM 1804 OD1 ASP A 115 12.124 1.323 5.367 1.00 0.00 O ATOM 1805 OD2 ASP A 115 12.049 3.476 5.931 1.00 0.00 O ATOM 0 H ASP A 115 7.257 1.086 4.760 1.00 0.00 H new ATOM 0 HA ASP A 115 9.379 0.474 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.089 2.467 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.685 3.469 5.283 1.00 0.00 H new ATOM 1810 N THR A 116 9.866 2.331 7.639 1.00 0.00 N ATOM 1811 CA THR A 116 10.170 2.320 9.060 1.00 0.00 C ATOM 1812 C THR A 116 9.577 3.554 9.742 1.00 0.00 C ATOM 1813 O THR A 116 9.848 3.810 10.914 1.00 0.00 O ATOM 1814 CB THR A 116 11.688 2.208 9.218 1.00 0.00 C ATOM 1815 OG1 THR A 116 12.194 3.334 8.506 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.268 1.005 8.472 1.00 0.00 C ATOM 0 H THR A 116 9.989 3.235 7.183 1.00 0.00 H new ATOM 0 HA THR A 116 9.713 1.463 9.556 1.00 0.00 H new ATOM 0 HB THR A 116 11.938 2.133 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.407 3.071 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.348 0.973 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.822 0.088 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.048 1.096 7.408 1.00 0.00 H new ATOM 1824 N CYS A 117 8.779 4.286 8.979 1.00 0.00 N ATOM 1825 CA CYS A 117 8.145 5.487 9.495 1.00 0.00 C ATOM 1826 C CYS A 117 6.646 5.404 9.200 1.00 0.00 C ATOM 1827 O CYS A 117 6.227 4.679 8.300 1.00 0.00 O ATOM 1828 CB CYS A 117 8.773 6.754 8.910 1.00 0.00 C ATOM 1829 SG CYS A 117 8.632 8.132 10.106 1.00 0.00 S ATOM 0 H CYS A 117 8.557 4.070 8.007 1.00 0.00 H new ATOM 0 HA CYS A 117 8.299 5.548 10.572 1.00 0.00 H new ATOM 0 HB2 CYS A 117 9.821 6.574 8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 117 8.276 7.019 7.977 1.00 0.00 H new ATOM 0 HG CYS A 117 9.170 9.202 9.601 1.00 0.00 H new ATOM 1835 N GLN A 118 5.879 6.157 9.975 1.00 0.00 N ATOM 1836 CA GLN A 118 4.436 6.178 9.808 1.00 0.00 C ATOM 1837 C GLN A 118 4.048 7.128 8.674 1.00 0.00 C ATOM 1838 O GLN A 118 4.504 8.270 8.631 1.00 0.00 O ATOM 1839 CB GLN A 118 3.740 6.567 11.113 1.00 0.00 C ATOM 1840 CG GLN A 118 2.291 6.072 11.131 1.00 0.00 C ATOM 1841 CD GLN A 118 1.407 6.993 11.972 1.00 0.00 C ATOM 1842 OE1 GLN A 118 1.852 7.978 12.538 1.00 0.00 O ATOM 1843 NE2 GLN A 118 0.131 6.619 12.023 1.00 0.00 N ATOM 0 H GLN A 118 6.230 6.758 10.721 1.00 0.00 H new ATOM 0 HA GLN A 118 4.104 5.174 9.544 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.283 6.145 11.959 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.759 7.650 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.907 6.024 10.112 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.254 5.060 11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.176 5.783 11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.540 7.168 12.560 1.00 0.00 H new ATOM 1852 N VAL A 119 3.207 6.621 7.783 1.00 0.00 N ATOM 1853 CA VAL A 119 2.751 7.411 6.651 1.00 0.00 C ATOM 1854 C VAL A 119 1.225 7.355 6.578 1.00 0.00 C ATOM 1855 O VAL A 119 0.618 6.355 6.959 1.00 0.00 O ATOM 1856 CB VAL A 119 3.430 6.926 5.369 1.00 0.00 C ATOM 1857 CG1 VAL A 119 4.892 7.375 5.318 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.318 5.407 5.228 1.00 0.00 C ATOM 0 H VAL A 119 2.830 5.674 7.822 1.00 0.00 H new ATOM 0 HA VAL A 119 3.032 8.457 6.776 1.00 0.00 H new ATOM 0 HB VAL A 119 2.911 7.379 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.351 7.017 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 119 4.940 8.464 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.429 6.965 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.809 5.090 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.798 4.926 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.267 5.121 5.195 1.00 0.00 H new ATOM 1868 N ALA A 120 0.647 8.440 6.085 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.798 8.526 5.957 1.00 0.00 C ATOM 1870 C ALA A 120 -1.159 8.831 4.502 1.00 0.00 C ATOM 1871 O ALA A 120 -0.381 9.457 3.784 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.334 9.584 6.924 1.00 0.00 C ATOM 0 H ALA A 120 1.153 9.267 5.769 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.264 7.577 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.418 9.649 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.076 9.307 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.890 10.551 6.687 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.339 8.372 4.110 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.812 8.587 2.754 1.00 0.00 C ATOM 1880 C LEU A 121 -4.128 9.368 2.795 1.00 0.00 C ATOM 1881 O LEU A 121 -4.989 9.099 3.631 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.911 7.258 2.003 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.785 6.184 2.653 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -4.634 5.460 1.605 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -2.938 5.211 3.476 1.00 0.00 C ATOM 0 H LEU A 121 -2.981 7.852 4.708 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.098 9.191 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.297 7.456 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.905 6.856 1.882 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.473 6.674 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.246 4.702 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.280 6.178 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.981 4.984 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.584 4.458 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.210 4.723 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.415 5.758 4.261 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.242 10.322 1.882 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.437 11.144 1.803 1.00 0.00 C ATOM 1899 C ASN A 122 -5.915 11.204 0.351 1.00 0.00 C ATOM 1900 O ASN A 122 -5.214 11.722 -0.517 1.00 0.00 O ATOM 1901 CB ASN A 122 -5.153 12.575 2.267 1.00 0.00 C ATOM 1902 CG ASN A 122 -6.282 13.097 3.156 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -7.291 12.446 3.370 1.00 0.00 O ATOM 1904 ND2 ASN A 122 -6.058 14.308 3.661 1.00 0.00 N ATOM 0 H ASN A 122 -3.526 10.544 1.191 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.195 10.699 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.211 12.603 2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.037 13.226 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.753 14.744 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.191 14.800 3.442 1.00 0.00 H new ATOM 1911 N PHE A 123 -7.106 10.666 0.131 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.687 10.652 -1.201 1.00 0.00 C ATOM 1913 C PHE A 123 -8.173 12.046 -1.602 1.00 0.00 C ATOM 1914 O PHE A 123 -8.389 12.902 -0.746 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.883 9.700 -1.157 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.560 8.319 -0.583 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -8.069 7.344 -1.394 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.763 8.066 0.738 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.768 6.062 -0.863 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.462 6.785 1.270 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.971 5.810 0.459 1.00 0.00 C ATOM 0 H PHE A 123 -7.684 10.237 0.853 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.941 10.334 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.674 10.154 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.275 9.579 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.908 7.545 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -9.153 8.840 1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.378 5.288 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.623 6.585 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.742 4.835 0.864 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.332 12.230 -2.904 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.789 13.506 -3.429 1.00 0.00 C ATOM 1933 C ALA A 124 -10.306 13.608 -3.260 1.00 0.00 C ATOM 1934 O ALA A 124 -10.863 14.704 -3.268 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.355 13.641 -4.890 1.00 0.00 C ATOM 0 H ALA A 124 -8.153 11.517 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.340 14.332 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.697 14.598 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.268 13.591 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.790 12.831 -5.475 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.932 12.449 -3.110 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.375 12.395 -2.939 1.00 0.00 C ATOM 1943 C ASN A 125 -12.712 11.442 -1.791 1.00 0.00 C ATOM 1944 O ASN A 125 -11.927 10.551 -1.468 1.00 0.00 O ATOM 1945 CB ASN A 125 -13.059 11.873 -4.203 1.00 0.00 C ATOM 1946 CG ASN A 125 -14.293 12.711 -4.545 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -14.208 13.775 -5.138 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -15.440 12.177 -4.138 1.00 0.00 N ATOM 0 H ASN A 125 -10.467 11.541 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.728 13.404 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.357 11.896 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.350 10.832 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -16.320 12.661 -4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -15.440 11.283 -3.647 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.880 11.660 -1.207 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.331 10.832 -0.101 1.00 0.00 C ATOM 1957 C GLU A 126 -14.818 9.476 -0.618 1.00 0.00 C ATOM 1958 O GLU A 126 -14.393 8.431 -0.127 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.425 11.537 0.702 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.697 10.806 2.018 1.00 0.00 C ATOM 1961 CD GLU A 126 -16.659 11.604 2.900 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -17.843 11.696 2.511 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -16.188 12.104 3.945 1.00 0.00 O ATOM 0 H GLU A 126 -14.529 12.399 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.487 10.663 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.125 12.564 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.340 11.584 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.119 9.822 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.759 10.645 2.550 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.701 9.537 -1.604 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.250 8.328 -2.192 1.00 0.00 C ATOM 1972 C GLU A 127 -15.123 7.405 -2.659 1.00 0.00 C ATOM 1973 O GLU A 127 -15.113 6.218 -2.335 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.198 8.661 -3.346 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.646 8.331 -2.979 1.00 0.00 C ATOM 1976 CD GLU A 127 -19.385 9.577 -2.487 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -19.093 10.663 -3.034 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -20.224 9.416 -1.575 1.00 0.00 O ATOM 0 H GLU A 127 -16.050 10.405 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 127 -16.828 7.807 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -17.115 9.719 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -16.907 8.100 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -19.160 7.918 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -18.663 7.564 -2.204 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.199 7.986 -3.410 1.00 0.00 N ATOM 1986 CA GLU A 128 -13.069 7.230 -3.924 1.00 0.00 C ATOM 1987 C GLU A 128 -12.325 6.542 -2.778 1.00 0.00 C ATOM 1988 O GLU A 128 -11.717 5.490 -2.971 1.00 0.00 O ATOM 1989 CB GLU A 128 -12.127 8.130 -4.726 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.270 7.875 -6.228 1.00 0.00 C ATOM 1991 CD GLU A 128 -10.946 8.122 -6.955 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -10.207 9.020 -6.497 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -10.704 7.408 -7.952 1.00 0.00 O ATOM 0 H GLU A 128 -14.209 8.971 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.448 6.462 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.345 9.176 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.097 7.949 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.596 6.849 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.042 8.526 -6.639 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.398 7.163 -1.610 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.740 6.623 -0.432 1.00 0.00 C ATOM 2002 C ALA A 129 -12.593 5.494 0.151 1.00 0.00 C ATOM 2003 O ALA A 129 -12.062 4.478 0.599 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.493 7.747 0.575 1.00 0.00 C ATOM 0 H ALA A 129 -12.903 8.035 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.770 6.201 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.000 7.342 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.858 8.509 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.445 8.193 0.863 1.00 0.00 H new ATOM 2010 N LYS A 130 -13.900 5.709 0.125 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.831 4.723 0.646 1.00 0.00 C ATOM 2012 C LYS A 130 -14.759 3.457 -0.211 1.00 0.00 C ATOM 2013 O LYS A 130 -14.693 2.348 0.317 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.237 5.316 0.751 1.00 0.00 C ATOM 2015 CG LYS A 130 -16.568 5.693 2.196 1.00 0.00 C ATOM 2016 CD LYS A 130 -17.197 7.086 2.269 1.00 0.00 C ATOM 2017 CE LYS A 130 -18.470 7.068 3.119 1.00 0.00 C ATOM 2018 NZ LYS A 130 -19.656 7.360 2.282 1.00 0.00 N ATOM 0 H LYS A 130 -14.336 6.552 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.555 4.437 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.312 6.198 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.968 4.596 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.253 4.958 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -15.660 5.668 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -16.482 7.790 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -17.431 7.437 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -18.584 6.093 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -18.391 7.805 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.511 7.344 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -19.552 8.300 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.739 6.642 1.535 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.775 3.666 -1.520 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.712 2.556 -2.455 1.00 0.00 C ATOM 2034 C LYS A 131 -13.339 1.887 -2.354 1.00 0.00 C ATOM 2035 O LYS A 131 -13.203 0.696 -2.635 1.00 0.00 O ATOM 2036 CB LYS A 131 -15.065 3.025 -3.868 1.00 0.00 C ATOM 2037 CG LYS A 131 -14.148 4.167 -4.311 1.00 0.00 C ATOM 2038 CD LYS A 131 -13.129 3.682 -5.345 1.00 0.00 C ATOM 2039 CE LYS A 131 -13.589 4.016 -6.765 1.00 0.00 C ATOM 2040 NZ LYS A 131 -13.134 2.975 -7.715 1.00 0.00 N ATOM 0 H LYS A 131 -14.831 4.587 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.455 1.800 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -14.976 2.191 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -16.103 3.355 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.745 4.974 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.627 4.576 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.162 4.146 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.991 2.605 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.676 4.092 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.193 4.987 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.225 3.330 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.139 2.741 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.718 2.122 -7.601 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.357 2.681 -1.953 1.00 0.00 N ATOM 2055 CA PHE A 132 -11.001 2.179 -1.811 1.00 0.00 C ATOM 2056 C PHE A 132 -10.926 1.093 -0.737 1.00 0.00 C ATOM 2057 O PHE A 132 -10.492 -0.026 -1.010 1.00 0.00 O ATOM 2058 CB PHE A 132 -10.129 3.363 -1.385 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.782 3.435 -2.106 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.707 3.969 -3.355 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.659 2.966 -1.499 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.457 4.037 -4.024 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.409 3.034 -2.168 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.334 3.568 -3.417 1.00 0.00 C ATOM 0 H PHE A 132 -12.473 3.668 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.666 1.743 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.676 4.288 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.952 3.303 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.599 4.341 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.718 2.542 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.398 4.461 -5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.517 2.662 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.383 3.619 -3.926 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.358 1.460 0.460 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.346 0.530 1.577 1.00 0.00 C ATOM 2076 C ARG A 133 -12.318 -0.624 1.318 1.00 0.00 C ATOM 2077 O ARG A 133 -12.113 -1.734 1.805 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.733 1.230 2.882 1.00 0.00 C ATOM 2079 CG ARG A 133 -11.027 0.587 4.078 1.00 0.00 C ATOM 2080 CD ARG A 133 -11.879 0.707 5.344 1.00 0.00 C ATOM 2081 NE ARG A 133 -12.075 -0.629 5.949 1.00 0.00 N ATOM 2082 CZ ARG A 133 -12.579 -0.833 7.174 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -12.941 0.212 7.932 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.722 -2.080 7.641 1.00 0.00 N ATOM 0 H ARG A 133 -11.719 2.388 0.681 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.332 0.142 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.470 2.286 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.813 1.177 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.829 -0.464 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.062 1.068 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.393 1.371 6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.845 1.151 5.102 1.00 0.00 H new ATOM 0 HE ARG A 133 -11.810 -1.446 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.833 1.162 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.325 0.057 8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -12.447 -2.875 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -13.106 -2.235 8.573 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.354 -0.321 0.551 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.357 -1.318 0.221 1.00 0.00 C ATOM 2100 C LYS A 134 -13.757 -2.341 -0.745 1.00 0.00 C ATOM 2101 O LYS A 134 -14.088 -3.523 -0.688 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.627 -0.647 -0.306 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.811 -0.903 0.629 1.00 0.00 C ATOM 2104 CD LYS A 134 -18.133 -0.886 -0.143 1.00 0.00 C ATOM 2105 CE LYS A 134 -19.063 -2.001 0.340 1.00 0.00 C ATOM 2106 NZ LYS A 134 -19.113 -3.100 -0.650 1.00 0.00 N ATOM 0 H LYS A 134 -13.521 0.601 0.148 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.659 -1.863 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.462 0.426 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.857 -1.026 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.687 -1.866 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.832 -0.144 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -18.621 0.080 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.938 -1.006 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -18.714 -2.383 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -20.065 -1.603 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -19.749 -3.848 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -19.467 -2.734 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -18.159 -3.491 -0.783 1.00 0.00 H new ATOM 2120 N ALA A 135 -12.883 -1.847 -1.609 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.231 -2.703 -2.587 1.00 0.00 C ATOM 2122 C ALA A 135 -11.211 -3.594 -1.878 1.00 0.00 C ATOM 2123 O ALA A 135 -11.192 -4.807 -2.082 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.594 -1.840 -3.678 1.00 0.00 C ATOM 0 H ALA A 135 -12.611 -0.865 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.958 -3.355 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.105 -2.482 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.366 -1.249 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.857 -1.174 -3.231 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.386 -2.959 -1.058 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.363 -3.680 -0.318 1.00 0.00 C ATOM 2132 C VAL A 136 -10.024 -4.782 0.513 1.00 0.00 C ATOM 2133 O VAL A 136 -9.699 -5.958 0.361 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.544 -2.703 0.527 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.807 -3.436 1.650 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.568 -1.911 -0.344 1.00 0.00 C ATOM 0 H VAL A 136 -10.405 -1.953 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.664 -4.163 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.234 -1.995 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.232 -2.719 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.530 -3.935 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.133 -4.177 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.998 -1.224 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.885 -2.599 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.124 -1.345 -1.092 1.00 0.00 H new ATOM 2146 N THR A 137 -10.940 -4.361 1.373 1.00 0.00 N ATOM 2147 CA THR A 137 -11.649 -5.297 2.229 1.00 0.00 C ATOM 2148 C THR A 137 -12.225 -6.446 1.400 1.00 0.00 C ATOM 2149 O THR A 137 -12.036 -7.615 1.734 1.00 0.00 O ATOM 2150 CB THR A 137 -12.710 -4.516 3.007 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.473 -3.864 1.994 1.00 0.00 O ATOM 2152 CG2 THR A 137 -12.113 -3.368 3.822 1.00 0.00 C ATOM 0 H THR A 137 -11.207 -3.384 1.495 1.00 0.00 H new ATOM 0 HA THR A 137 -10.976 -5.763 2.949 1.00 0.00 H new ATOM 0 HB THR A 137 -13.243 -5.194 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 137 -13.037 -3.022 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.909 -2.847 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.396 -3.766 4.540 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.608 -2.671 3.153 1.00 0.00 H new ATOM 2160 N ASP A 138 -12.918 -6.074 0.334 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.524 -7.059 -0.547 1.00 0.00 C ATOM 2162 C ASP A 138 -12.454 -8.052 -1.007 1.00 0.00 C ATOM 2163 O ASP A 138 -12.690 -9.259 -1.027 1.00 0.00 O ATOM 2164 CB ASP A 138 -14.120 -6.394 -1.789 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.648 -6.396 -1.855 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -16.223 -7.494 -1.684 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -16.208 -5.300 -2.073 1.00 0.00 O ATOM 0 H ASP A 138 -13.074 -5.104 0.060 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.316 -7.564 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.771 -5.362 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -13.733 -6.899 -2.674 1.00 0.00 H new ATOM 2172 N LEU A 139 -11.303 -7.506 -1.367 1.00 0.00 N ATOM 2173 CA LEU A 139 -10.196 -8.327 -1.827 1.00 0.00 C ATOM 2174 C LEU A 139 -9.672 -9.167 -0.661 1.00 0.00 C ATOM 2175 O LEU A 139 -9.445 -10.368 -0.809 1.00 0.00 O ATOM 2176 CB LEU A 139 -9.124 -7.461 -2.491 1.00 0.00 C ATOM 2177 CG LEU A 139 -7.958 -8.213 -3.136 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -7.316 -7.380 -4.247 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -6.937 -8.648 -2.082 1.00 0.00 C ATOM 0 H LEU A 139 -11.112 -6.504 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.532 -9.022 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -9.602 -6.848 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.721 -6.779 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 139 -8.349 -9.119 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.490 -7.938 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.059 -7.163 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.941 -6.445 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.118 -9.180 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.546 -7.769 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.419 -9.305 -1.358 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.496 -8.505 0.472 1.00 0.00 N ATOM 2192 CA LEU A 140 -9.003 -9.175 1.663 1.00 0.00 C ATOM 2193 C LEU A 140 -9.971 -10.296 2.049 1.00 0.00 C ATOM 2194 O LEU A 140 -9.546 -11.369 2.474 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.755 -8.164 2.784 1.00 0.00 C ATOM 2196 CG LEU A 140 -7.326 -7.628 2.900 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -6.942 -6.819 1.659 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -7.144 -6.824 4.188 1.00 0.00 C ATOM 0 H LEU A 140 -9.686 -7.510 0.591 1.00 0.00 H new ATOM 0 HA LEU A 140 -8.037 -9.640 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.428 -7.319 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.026 -8.629 3.732 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.646 -8.478 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.922 -6.450 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.006 -7.455 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.624 -5.976 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.120 -6.455 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.834 -5.980 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.348 -7.463 5.047 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.254 -10.007 1.889 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.285 -10.978 2.216 1.00 0.00 C ATOM 2212 C GLY A 141 -12.193 -12.203 1.305 1.00 0.00 C ATOM 2213 O GLY A 141 -12.282 -13.337 1.773 1.00 0.00 O ATOM 0 H GLY A 141 -11.603 -9.115 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -12.183 -11.286 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.268 -10.518 2.115 1.00 0.00 H new ATOM 2217 N ARG A 142 -12.017 -11.934 0.019 1.00 0.00 N ATOM 2218 CA ARG A 142 -11.913 -13.000 -0.961 1.00 0.00 C ATOM 2219 C ARG A 142 -10.626 -13.799 -0.742 1.00 0.00 C ATOM 2220 O ARG A 142 -10.639 -15.027 -0.781 1.00 0.00 O ATOM 2221 CB ARG A 142 -11.922 -12.442 -2.386 1.00 0.00 C ATOM 2222 CG ARG A 142 -13.307 -12.583 -3.021 1.00 0.00 C ATOM 2223 CD ARG A 142 -13.201 -13.067 -4.468 1.00 0.00 C ATOM 2224 NE ARG A 142 -13.259 -14.546 -4.512 1.00 0.00 N ATOM 2225 CZ ARG A 142 -12.947 -15.279 -5.590 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -12.553 -14.674 -6.719 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -13.030 -16.614 -5.538 1.00 0.00 N ATOM 0 H ARG A 142 -11.944 -10.992 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 142 -12.777 -13.653 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -11.630 -11.392 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -11.185 -12.969 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.906 -13.286 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -13.824 -11.624 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -14.012 -12.645 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -12.268 -12.718 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.555 -15.038 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -12.491 -13.657 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -12.315 -15.231 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -13.331 -17.073 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -12.793 -17.172 -6.358 1.00 0.00 H new