USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 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 19 SER OG : rot 180:sc= 0.197 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.142 K(o=0.34,f=1.8) USER MOD Set 2.1: A 81 ASN : amide:sc= -5.13! C(o=-7.4!,f=-12!) USER MOD Set 2.2: A 85 GLN : amide:sc= -2.3 X(o=-7.4,f=-7.5) USER MOD Set 3.1: A 71 THR OG1 : rot 173:sc= -4.42! USER MOD Set 3.2: A 73 HIS : no HD1:sc= -11! C(o=-45!,f=-44!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -29.8! C(o=-45!,f=-54!) USER MOD Set 4.1: A 57 SER OG : rot 42:sc= -0.848! USER MOD Set 4.2: A 59 HIS : no HD1:sc= -17.3! C(o=-18!,f=-28!) USER MOD Set 5.1: A 34 TYR OH : rot -75:sc= 0.0942 USER MOD Set 5.2: A 64 HIS : no HD1:sc= -16.1! C(o=-16!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 22:sc= 0.545 USER MOD Single : A 30 CYS SG : rot 23:sc= -5.18! USER MOD Single : A 35 THR OG1 : rot -140:sc= -3.96! USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -1.37 (180deg=-2.28!) USER MOD Single : A 44 TYR OH : rot 135:sc= -0.916 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.204) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -128:sc= -0.139 (180deg=-3.88!) USER MOD Single : A 50 LYS NZ :NH3+ -106:sc= -2.2! (180deg=-4.55!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -7.49! C(o=-7.5!,f=-15!) USER MOD Single : A 61 SER OG : rot 110:sc= -2.62! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= -6.87! C(o=-6.9!,f=-9.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.74) USER MOD Single : A 83 TYR OH : rot -67:sc= -5.57! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -26:sc= -6.61! USER MOD Single : A 89 THR OG1 : rot 10:sc= 0.534! USER MOD Single : A 91 SER OG : rot 180:sc= 0.139 USER MOD Single : A 95 CYS SG : rot 180:sc= -2.17 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 0.49 (180deg=0.485) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -152:sc= -0.705 (180deg=-2.99!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 151:sc= 1.29 USER MOD Single : A 109 THR OG1 : rot -47:sc= 0.351 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.096 -5.716 18.294 1.00 0.00 N ATOM 75 CA ASP A 6 107.815 -5.554 16.840 1.00 0.00 C ATOM 76 C ASP A 6 107.945 -4.077 16.458 1.00 0.00 C ATOM 77 O ASP A 6 107.887 -3.212 17.310 1.00 0.00 O ATOM 78 CB ASP A 6 106.395 -6.037 16.537 1.00 0.00 C ATOM 79 CG ASP A 6 106.457 -7.356 15.764 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.412 -8.089 15.959 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.548 -7.610 14.991 1.00 0.00 O ATOM 0 HA ASP A 6 108.529 -6.143 16.264 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.840 -6.173 17.465 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.861 -5.287 15.954 1.00 0.00 H new ATOM 86 N PRO A 7 108.120 -3.834 15.184 1.00 0.00 N ATOM 87 CA PRO A 7 108.266 -2.469 14.649 1.00 0.00 C ATOM 88 C PRO A 7 106.906 -1.772 14.578 1.00 0.00 C ATOM 89 O PRO A 7 105.952 -2.304 14.045 1.00 0.00 O ATOM 90 CB PRO A 7 108.845 -2.692 13.250 1.00 0.00 C ATOM 91 CG PRO A 7 108.472 -4.138 12.850 1.00 0.00 C ATOM 92 CD PRO A 7 108.188 -4.897 14.158 1.00 0.00 C ATOM 0 HA PRO A 7 108.897 -1.831 15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.434 -1.974 12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 7 109.926 -2.556 13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 7 107.597 -4.147 12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 7 109.285 -4.609 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.254 -5.456 14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 7 108.976 -5.616 14.381 1.00 0.00 H new ATOM 100 N LYS A 8 106.811 -0.587 15.112 1.00 0.00 N ATOM 101 CA LYS A 8 105.516 0.145 15.078 1.00 0.00 C ATOM 102 C LYS A 8 105.470 1.049 13.845 1.00 0.00 C ATOM 103 O LYS A 8 104.476 1.695 13.576 1.00 0.00 O ATOM 104 CB LYS A 8 105.381 0.996 16.342 1.00 0.00 C ATOM 105 CG LYS A 8 106.609 1.898 16.485 1.00 0.00 C ATOM 106 CD LYS A 8 107.536 1.333 17.562 1.00 0.00 C ATOM 107 CE LYS A 8 107.735 2.376 18.663 1.00 0.00 C ATOM 108 NZ LYS A 8 108.400 1.741 19.835 1.00 0.00 N ATOM 0 H LYS A 8 107.576 -0.093 15.571 1.00 0.00 H new ATOM 0 HA LYS A 8 104.695 -0.570 15.031 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.476 1.602 16.290 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.285 0.353 17.217 1.00 0.00 H new ATOM 0 HG2 LYS A 8 107.137 1.964 15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.301 2.910 16.750 1.00 0.00 H new ATOM 0 HD2 LYS A 8 107.110 0.422 17.982 1.00 0.00 H new ATOM 0 HD3 LYS A 8 108.497 1.063 17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 8 108.341 3.202 18.291 1.00 0.00 H new ATOM 0 HE3 LYS A 8 106.773 2.795 18.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 108.535 2.450 20.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 107.805 0.967 20.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 109.324 1.362 19.546 1.00 0.00 H new ATOM 122 N ASP A 9 106.535 1.102 13.090 1.00 0.00 N ATOM 123 CA ASP A 9 106.536 1.968 11.876 1.00 0.00 C ATOM 124 C ASP A 9 107.964 2.118 11.344 1.00 0.00 C ATOM 125 O ASP A 9 108.900 1.561 11.882 1.00 0.00 O ATOM 126 CB ASP A 9 105.979 3.346 12.234 1.00 0.00 C ATOM 127 CG ASP A 9 104.634 3.550 11.536 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.625 3.618 10.318 1.00 0.00 O ATOM 129 OD2 ASP A 9 103.634 3.632 12.230 1.00 0.00 O ATOM 0 H ASP A 9 107.399 0.587 13.260 1.00 0.00 H new ATOM 0 HA ASP A 9 105.914 1.509 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.857 3.431 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.680 4.123 11.930 1.00 0.00 H new ATOM 134 N PHE A 10 108.135 2.871 10.290 1.00 0.00 N ATOM 135 CA PHE A 10 109.497 3.062 9.718 1.00 0.00 C ATOM 136 C PHE A 10 110.445 3.561 10.814 1.00 0.00 C ATOM 137 O PHE A 10 110.004 4.005 11.856 1.00 0.00 O ATOM 138 CB PHE A 10 109.433 4.096 8.591 1.00 0.00 C ATOM 139 CG PHE A 10 109.072 3.413 7.293 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.028 2.481 7.259 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.781 3.713 6.122 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.692 1.851 6.055 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.444 3.080 4.919 1.00 0.00 C ATOM 144 CZ PHE A 10 108.400 2.149 4.886 1.00 0.00 C ATOM 0 H PHE A 10 107.387 3.363 9.800 1.00 0.00 H new ATOM 0 HA PHE A 10 109.864 2.114 9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.694 4.861 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.394 4.601 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.482 2.248 8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.587 4.432 6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.885 1.134 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.990 3.311 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 10 108.141 1.661 3.958 1.00 0.00 H new ATOM 154 N PRO A 11 111.721 3.476 10.540 1.00 0.00 N ATOM 155 CA PRO A 11 112.765 3.917 11.482 1.00 0.00 C ATOM 156 C PRO A 11 112.884 5.444 11.466 1.00 0.00 C ATOM 157 O PRO A 11 112.481 6.098 10.525 1.00 0.00 O ATOM 158 CB PRO A 11 114.038 3.260 10.940 1.00 0.00 C ATOM 159 CG PRO A 11 113.772 2.960 9.446 1.00 0.00 C ATOM 160 CD PRO A 11 112.243 2.934 9.268 1.00 0.00 C ATOM 0 HA PRO A 11 112.559 3.640 12.516 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.896 3.922 11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.265 2.344 11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.223 3.723 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.212 2.005 9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.931 3.541 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.880 1.922 9.087 1.00 0.00 H new ATOM 168 N SER A 12 113.431 6.017 12.503 1.00 0.00 N ATOM 169 CA SER A 12 113.572 7.500 12.549 1.00 0.00 C ATOM 170 C SER A 12 114.571 7.955 11.485 1.00 0.00 C ATOM 171 O SER A 12 114.506 9.062 10.990 1.00 0.00 O ATOM 172 CB SER A 12 114.071 7.922 13.931 1.00 0.00 C ATOM 173 OG SER A 12 114.930 6.914 14.448 1.00 0.00 O ATOM 0 H SER A 12 113.787 5.522 13.321 1.00 0.00 H new ATOM 0 HA SER A 12 112.603 7.961 12.355 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.604 8.871 13.864 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.227 8.077 14.603 1.00 0.00 H new ATOM 0 HG SER A 12 115.253 7.182 15.333 1.00 0.00 H new ATOM 179 N GLU A 13 115.499 7.109 11.128 1.00 0.00 N ATOM 180 CA GLU A 13 116.501 7.495 10.095 1.00 0.00 C ATOM 181 C GLU A 13 115.820 7.579 8.726 1.00 0.00 C ATOM 182 O GLU A 13 116.426 7.963 7.745 1.00 0.00 O ATOM 183 CB GLU A 13 117.615 6.447 10.049 1.00 0.00 C ATOM 184 CG GLU A 13 118.880 7.073 9.456 1.00 0.00 C ATOM 185 CD GLU A 13 120.037 6.076 9.554 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.835 4.927 9.197 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.105 6.479 9.984 1.00 0.00 O ATOM 0 H GLU A 13 115.606 6.168 11.507 1.00 0.00 H new ATOM 0 HA GLU A 13 116.926 8.466 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.818 6.072 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.302 5.594 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.709 7.347 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.130 7.990 9.990 1.00 0.00 H new ATOM 194 N LEU A 14 114.566 7.223 8.650 1.00 0.00 N ATOM 195 CA LEU A 14 113.853 7.284 7.343 1.00 0.00 C ATOM 196 C LEU A 14 112.604 8.160 7.478 1.00 0.00 C ATOM 197 O LEU A 14 111.883 8.379 6.524 1.00 0.00 O ATOM 198 CB LEU A 14 113.444 5.870 6.920 1.00 0.00 C ATOM 199 CG LEU A 14 114.384 5.373 5.822 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.834 5.624 6.237 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.171 3.872 5.608 1.00 0.00 C ATOM 0 H LEU A 14 114.006 6.893 9.436 1.00 0.00 H new ATOM 0 HA LEU A 14 114.514 7.713 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.482 5.198 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.415 5.870 6.560 1.00 0.00 H new ATOM 0 HG LEU A 14 114.172 5.908 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.503 5.269 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.989 6.692 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.045 5.090 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.841 3.517 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.382 3.339 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.138 3.690 5.311 1.00 0.00 H new ATOM 213 N LEU A 15 112.338 8.662 8.655 1.00 0.00 N ATOM 214 CA LEU A 15 111.132 9.520 8.845 1.00 0.00 C ATOM 215 C LEU A 15 111.496 10.988 8.600 1.00 0.00 C ATOM 216 O LEU A 15 110.679 11.872 8.761 1.00 0.00 O ATOM 217 CB LEU A 15 110.614 9.357 10.276 1.00 0.00 C ATOM 218 CG LEU A 15 110.191 7.905 10.506 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.349 7.555 11.986 1.00 0.00 C ATOM 220 CD2 LEU A 15 108.728 7.727 10.095 1.00 0.00 C ATOM 0 H LEU A 15 112.903 8.515 9.492 1.00 0.00 H new ATOM 0 HA LEU A 15 110.360 9.218 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.390 9.638 10.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.769 10.024 10.446 1.00 0.00 H new ATOM 0 HG LEU A 15 110.820 7.246 9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.047 6.520 12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.391 7.680 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.721 8.215 12.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.427 6.692 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.099 8.387 10.693 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.614 7.975 9.040 1.00 0.00 H new ATOM 232 N SER A 16 112.715 11.255 8.216 1.00 0.00 N ATOM 233 CA SER A 16 113.123 12.669 7.969 1.00 0.00 C ATOM 234 C SER A 16 112.861 13.037 6.505 1.00 0.00 C ATOM 235 O SER A 16 113.030 14.170 6.102 1.00 0.00 O ATOM 236 CB SER A 16 114.613 12.827 8.274 1.00 0.00 C ATOM 237 OG SER A 16 114.779 13.771 9.324 1.00 0.00 O ATOM 0 H SER A 16 113.444 10.558 8.063 1.00 0.00 H new ATOM 0 HA SER A 16 112.544 13.329 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.041 11.867 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.145 13.159 7.383 1.00 0.00 H new ATOM 0 HG SER A 16 115.733 13.874 9.524 1.00 0.00 H new ATOM 243 N PHE A 17 112.450 12.090 5.708 1.00 0.00 N ATOM 244 CA PHE A 17 112.179 12.389 4.276 1.00 0.00 C ATOM 245 C PHE A 17 111.274 11.300 3.703 1.00 0.00 C ATOM 246 O PHE A 17 111.582 10.672 2.711 1.00 0.00 O ATOM 247 CB PHE A 17 113.499 12.452 3.493 1.00 0.00 C ATOM 248 CG PHE A 17 114.247 11.139 3.597 1.00 0.00 C ATOM 249 CD1 PHE A 17 114.624 10.634 4.849 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.578 10.434 2.433 1.00 0.00 C ATOM 251 CE1 PHE A 17 115.322 9.427 4.934 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.279 9.226 2.519 1.00 0.00 C ATOM 253 CZ PHE A 17 115.649 8.722 3.770 1.00 0.00 C ATOM 0 H PHE A 17 112.290 11.122 5.987 1.00 0.00 H new ATOM 0 HA PHE A 17 111.682 13.355 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 17 113.296 12.679 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 17 114.119 13.261 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 17 114.375 11.178 5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.292 10.823 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 17 115.610 9.037 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 17 115.534 8.684 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.187 7.788 3.838 1.00 0.00 H new ATOM 263 N LEU A 18 110.154 11.077 4.334 1.00 0.00 N ATOM 264 CA LEU A 18 109.210 10.034 3.853 1.00 0.00 C ATOM 265 C LEU A 18 107.793 10.613 3.838 1.00 0.00 C ATOM 266 O LEU A 18 107.502 11.578 4.517 1.00 0.00 O ATOM 267 CB LEU A 18 109.272 8.834 4.803 1.00 0.00 C ATOM 268 CG LEU A 18 108.148 7.855 4.471 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.408 7.226 3.102 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.098 6.757 5.536 1.00 0.00 C ATOM 0 H LEU A 18 109.852 11.578 5.169 1.00 0.00 H new ATOM 0 HA LEU A 18 109.480 9.715 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 18 110.238 8.337 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 18 109.181 9.171 5.836 1.00 0.00 H new ATOM 0 HG LEU A 18 107.196 8.386 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 18 107.606 6.527 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 18 108.444 8.008 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 18 109.359 6.694 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.296 6.058 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 109.049 6.225 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.913 7.205 6.512 1.00 0.00 H new ATOM 282 N SER A 19 106.908 10.041 3.068 1.00 0.00 N ATOM 283 CA SER A 19 105.518 10.573 3.014 1.00 0.00 C ATOM 284 C SER A 19 104.734 10.082 4.233 1.00 0.00 C ATOM 285 O SER A 19 104.546 8.899 4.427 1.00 0.00 O ATOM 286 CB SER A 19 104.832 10.087 1.738 1.00 0.00 C ATOM 287 OG SER A 19 104.095 11.159 1.164 1.00 0.00 O ATOM 0 H SER A 19 107.087 9.230 2.476 1.00 0.00 H new ATOM 0 HA SER A 19 105.549 11.663 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.574 9.720 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.167 9.253 1.964 1.00 0.00 H new ATOM 0 HG SER A 19 103.655 10.851 0.344 1.00 0.00 H new ATOM 293 N HIS A 20 104.275 10.987 5.056 1.00 0.00 N ATOM 294 CA HIS A 20 103.503 10.576 6.262 1.00 0.00 C ATOM 295 C HIS A 20 102.031 10.952 6.076 1.00 0.00 C ATOM 296 O HIS A 20 101.608 12.035 6.429 1.00 0.00 O ATOM 297 CB HIS A 20 104.058 11.296 7.493 1.00 0.00 C ATOM 298 CG HIS A 20 105.561 11.312 7.434 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.322 10.182 7.685 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.458 12.314 7.157 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.616 10.527 7.558 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.756 11.816 7.237 1.00 0.00 N ATOM 0 H HIS A 20 104.402 11.993 4.944 1.00 0.00 H new ATOM 0 HA HIS A 20 103.591 9.498 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.675 12.316 7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.725 10.794 8.401 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.197 13.333 6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.441 9.845 7.698 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.626 12.326 7.084 1.00 0.00 H new ATOM 310 N ALA A 21 101.248 10.067 5.524 1.00 0.00 N ATOM 311 CA ALA A 21 99.806 10.378 5.317 1.00 0.00 C ATOM 312 C ALA A 21 99.122 9.191 4.636 1.00 0.00 C ATOM 313 O ALA A 21 99.464 8.815 3.532 1.00 0.00 O ATOM 314 CB ALA A 21 99.674 11.620 4.434 1.00 0.00 C ATOM 0 H ALA A 21 101.544 9.143 5.208 1.00 0.00 H new ATOM 0 HA ALA A 21 99.332 10.566 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.619 11.848 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.162 12.465 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.147 11.433 3.470 1.00 0.00 H new ATOM 320 N VAL A 22 98.159 8.597 5.285 1.00 0.00 N ATOM 321 CA VAL A 22 97.455 7.435 4.675 1.00 0.00 C ATOM 322 C VAL A 22 96.367 7.940 3.723 1.00 0.00 C ATOM 323 O VAL A 22 95.896 7.219 2.865 1.00 0.00 O ATOM 324 CB VAL A 22 96.813 6.592 5.779 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.658 5.150 5.294 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.705 6.617 7.022 1.00 0.00 C ATOM 0 H VAL A 22 97.829 8.866 6.212 1.00 0.00 H new ATOM 0 HA VAL A 22 98.170 6.827 4.121 1.00 0.00 H new ATOM 0 HB VAL A 22 95.833 7.001 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.201 4.549 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.024 5.130 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.638 4.741 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.249 6.017 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.685 6.208 6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.818 7.644 7.368 1.00 0.00 H new ATOM 336 N PHE A 23 95.965 9.174 3.866 1.00 0.00 N ATOM 337 CA PHE A 23 94.909 9.722 2.969 1.00 0.00 C ATOM 338 C PHE A 23 95.506 10.825 2.091 1.00 0.00 C ATOM 339 O PHE A 23 95.936 10.583 0.981 1.00 0.00 O ATOM 340 CB PHE A 23 93.774 10.301 3.815 1.00 0.00 C ATOM 341 CG PHE A 23 92.763 9.220 4.111 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.999 8.305 5.145 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.590 9.130 3.352 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.062 7.302 5.419 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.653 8.128 3.626 1.00 0.00 C ATOM 346 CZ PHE A 23 90.889 7.213 4.660 1.00 0.00 C ATOM 0 H PHE A 23 96.322 9.825 4.565 1.00 0.00 H new ATOM 0 HA PHE A 23 94.520 8.925 2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.171 10.707 4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 23 93.296 11.125 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.904 8.373 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.408 9.835 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.244 6.596 6.216 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.748 8.060 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.166 6.439 4.872 1.00 0.00 H new ATOM 356 N SER A 24 95.531 12.036 2.578 1.00 0.00 N ATOM 357 CA SER A 24 96.097 13.151 1.770 1.00 0.00 C ATOM 358 C SER A 24 95.210 13.391 0.547 1.00 0.00 C ATOM 359 O SER A 24 94.163 12.794 0.401 1.00 0.00 O ATOM 360 CB SER A 24 97.510 12.784 1.311 1.00 0.00 C ATOM 361 OG SER A 24 98.325 13.950 1.323 1.00 0.00 O ATOM 0 H SER A 24 95.184 12.300 3.500 1.00 0.00 H new ATOM 0 HA SER A 24 96.137 14.056 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.933 12.024 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.480 12.357 0.308 1.00 0.00 H new ATOM 0 HG SER A 24 99.231 13.719 1.031 1.00 0.00 H new ATOM 367 N ASN A 25 95.620 14.262 -0.334 1.00 0.00 N ATOM 368 CA ASN A 25 94.797 14.539 -1.545 1.00 0.00 C ATOM 369 C ASN A 25 95.621 14.249 -2.801 1.00 0.00 C ATOM 370 O ASN A 25 95.087 13.940 -3.848 1.00 0.00 O ATOM 371 CB ASN A 25 94.370 16.008 -1.547 1.00 0.00 C ATOM 372 CG ASN A 25 92.853 16.098 -1.722 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.367 16.290 -2.818 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.078 15.968 -0.680 1.00 0.00 N ATOM 0 H ASN A 25 96.488 14.793 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 25 93.913 13.902 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.668 16.486 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.872 16.543 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.065 16.028 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.485 15.807 0.241 1.00 0.00 H new ATOM 381 N ARG A 26 96.919 14.344 -2.707 1.00 0.00 N ATOM 382 CA ARG A 26 97.773 14.074 -3.897 1.00 0.00 C ATOM 383 C ARG A 26 97.882 12.563 -4.113 1.00 0.00 C ATOM 384 O ARG A 26 97.725 11.781 -3.197 1.00 0.00 O ATOM 385 CB ARG A 26 99.169 14.658 -3.668 1.00 0.00 C ATOM 386 CG ARG A 26 99.333 15.931 -4.499 1.00 0.00 C ATOM 387 CD ARG A 26 100.812 16.317 -4.555 1.00 0.00 C ATOM 388 NE ARG A 26 101.015 17.359 -5.602 1.00 0.00 N ATOM 389 CZ ARG A 26 100.318 18.461 -5.570 1.00 0.00 C ATOM 390 NH1 ARG A 26 100.586 19.379 -4.682 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.351 18.646 -6.428 1.00 0.00 N ATOM 0 H ARG A 26 97.424 14.597 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 26 97.326 14.537 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.313 14.880 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.930 13.929 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.949 15.772 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.751 16.742 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 26 101.138 16.693 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 26 101.420 15.440 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 26 101.699 17.210 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.341 19.235 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 26 100.040 20.240 -4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 26 99.141 17.929 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 26 98.805 19.507 -6.404 1.00 0.00 H new ATOM 405 N THR A 27 98.148 12.147 -5.320 1.00 0.00 N ATOM 406 CA THR A 27 98.266 10.689 -5.598 1.00 0.00 C ATOM 407 C THR A 27 99.686 10.375 -6.073 1.00 0.00 C ATOM 408 O THR A 27 100.179 10.964 -7.016 1.00 0.00 O ATOM 409 CB THR A 27 97.265 10.296 -6.688 1.00 0.00 C ATOM 410 OG1 THR A 27 97.603 10.961 -7.898 1.00 0.00 O ATOM 411 CG2 THR A 27 95.854 10.698 -6.259 1.00 0.00 C ATOM 0 H THR A 27 98.289 12.755 -6.127 1.00 0.00 H new ATOM 0 HA THR A 27 98.054 10.126 -4.689 1.00 0.00 H new ATOM 0 HB THR A 27 97.299 9.218 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.547 11.224 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.143 10.417 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.597 10.188 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.814 11.776 -6.103 1.00 0.00 H new ATOM 419 N LEU A 28 100.348 9.454 -5.431 1.00 0.00 N ATOM 420 CA LEU A 28 101.735 9.104 -5.850 1.00 0.00 C ATOM 421 C LEU A 28 101.794 7.621 -6.223 1.00 0.00 C ATOM 422 O LEU A 28 101.210 6.784 -5.566 1.00 0.00 O ATOM 423 CB LEU A 28 102.707 9.384 -4.700 1.00 0.00 C ATOM 424 CG LEU A 28 101.991 9.208 -3.359 1.00 0.00 C ATOM 425 CD1 LEU A 28 103.022 8.937 -2.261 1.00 0.00 C ATOM 426 CD2 LEU A 28 101.217 10.486 -3.024 1.00 0.00 C ATOM 0 H LEU A 28 99.989 8.928 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 28 102.017 9.708 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 28 103.559 8.707 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.099 10.398 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 28 101.299 8.368 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.512 8.812 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 103.576 8.029 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.713 9.777 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 28 100.706 10.362 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.910 11.325 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 28 100.483 10.682 -3.805 1.00 0.00 H new ATOM 438 N ALA A 29 102.493 7.291 -7.274 1.00 0.00 N ATOM 439 CA ALA A 29 102.587 5.862 -7.690 1.00 0.00 C ATOM 440 C ALA A 29 103.849 5.240 -7.091 1.00 0.00 C ATOM 441 O ALA A 29 104.316 4.207 -7.531 1.00 0.00 O ATOM 442 CB ALA A 29 102.656 5.781 -9.215 1.00 0.00 C ATOM 0 H ALA A 29 103.003 7.949 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 29 101.710 5.321 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.725 4.737 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.759 6.227 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.534 6.321 -9.569 1.00 0.00 H new ATOM 448 N CYS A 30 104.409 5.863 -6.090 1.00 0.00 N ATOM 449 CA CYS A 30 105.643 5.315 -5.460 1.00 0.00 C ATOM 450 C CYS A 30 105.387 5.088 -3.968 1.00 0.00 C ATOM 451 O CYS A 30 105.164 6.020 -3.219 1.00 0.00 O ATOM 452 CB CYS A 30 106.786 6.323 -5.645 1.00 0.00 C ATOM 453 SG CYS A 30 108.162 5.916 -4.540 1.00 0.00 S ATOM 0 H CYS A 30 104.063 6.731 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 30 105.914 4.368 -5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.126 6.313 -6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.429 7.332 -5.437 1.00 0.00 H new ATOM 0 HG CYS A 30 108.107 4.656 -4.224 1.00 0.00 H new ATOM 459 N PHE A 31 105.410 3.859 -3.525 1.00 0.00 N ATOM 460 CA PHE A 31 105.158 3.601 -2.079 1.00 0.00 C ATOM 461 C PHE A 31 106.299 2.764 -1.491 1.00 0.00 C ATOM 462 O PHE A 31 106.829 1.877 -2.131 1.00 0.00 O ATOM 463 CB PHE A 31 103.842 2.838 -1.911 1.00 0.00 C ATOM 464 CG PHE A 31 102.755 3.471 -2.749 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.851 3.470 -4.145 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.640 4.044 -2.125 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.836 4.045 -4.918 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.623 4.616 -2.896 1.00 0.00 C ATOM 469 CZ PHE A 31 100.720 4.618 -4.292 1.00 0.00 C ATOM 0 H PHE A 31 105.590 3.032 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 31 105.099 4.556 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.978 1.797 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.547 2.836 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.709 3.025 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.565 4.044 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.912 4.047 -5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.763 5.056 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.935 5.061 -4.887 1.00 0.00 H new ATOM 479 N ALA A 32 106.668 3.035 -0.267 1.00 0.00 N ATOM 480 CA ALA A 32 107.762 2.253 0.378 1.00 0.00 C ATOM 481 C ALA A 32 107.158 1.359 1.462 1.00 0.00 C ATOM 482 O ALA A 32 106.617 1.834 2.439 1.00 0.00 O ATOM 483 CB ALA A 32 108.774 3.208 1.015 1.00 0.00 C ATOM 0 H ALA A 32 106.258 3.766 0.315 1.00 0.00 H new ATOM 0 HA ALA A 32 108.267 1.643 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.571 2.632 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.198 3.855 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.275 3.818 1.768 1.00 0.00 H new ATOM 489 N ILE A 33 107.235 0.068 1.293 1.00 0.00 N ATOM 490 CA ILE A 33 106.653 -0.847 2.314 1.00 0.00 C ATOM 491 C ILE A 33 107.730 -1.266 3.315 1.00 0.00 C ATOM 492 O ILE A 33 108.895 -1.373 2.990 1.00 0.00 O ATOM 493 CB ILE A 33 106.086 -2.090 1.621 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.789 -1.717 0.898 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.795 -3.176 2.662 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.641 -2.568 -0.365 1.00 0.00 C ATOM 0 H ILE A 33 107.674 -0.391 0.495 1.00 0.00 H new ATOM 0 HA ILE A 33 105.855 -0.329 2.846 1.00 0.00 H new ATOM 0 HB ILE A 33 106.813 -2.467 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.935 -1.875 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.798 -0.659 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.392 -4.058 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.717 -3.441 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 33 105.069 -2.803 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.717 -2.301 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.488 -2.388 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.612 -3.623 -0.092 1.00 0.00 H new ATOM 508 N TYR A 34 107.337 -1.521 4.531 1.00 0.00 N ATOM 509 CA TYR A 34 108.313 -1.954 5.567 1.00 0.00 C ATOM 510 C TYR A 34 107.714 -3.151 6.303 1.00 0.00 C ATOM 511 O TYR A 34 106.863 -3.002 7.156 1.00 0.00 O ATOM 512 CB TYR A 34 108.563 -0.809 6.553 1.00 0.00 C ATOM 513 CG TYR A 34 109.374 -1.313 7.724 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.476 -2.149 7.509 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.022 -0.944 9.029 1.00 0.00 C ATOM 516 CE1 TYR A 34 111.225 -2.614 8.595 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.770 -1.409 10.114 1.00 0.00 C ATOM 518 CZ TYR A 34 110.872 -2.244 9.898 1.00 0.00 C ATOM 519 OH TYR A 34 111.611 -2.703 10.968 1.00 0.00 O ATOM 0 H TYR A 34 106.372 -1.447 4.854 1.00 0.00 H new ATOM 0 HA TYR A 34 109.262 -2.228 5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.092 0.004 6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.614 -0.404 6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.748 -2.435 6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.172 -0.300 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 34 112.075 -3.258 8.428 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.498 -1.124 11.119 1.00 0.00 H new ATOM 0 HH TYR A 34 111.397 -3.645 11.133 1.00 0.00 H new ATOM 529 N THR A 35 108.129 -4.339 5.962 1.00 0.00 N ATOM 530 CA THR A 35 107.549 -5.537 6.630 1.00 0.00 C ATOM 531 C THR A 35 108.620 -6.613 6.798 1.00 0.00 C ATOM 532 O THR A 35 109.682 -6.545 6.212 1.00 0.00 O ATOM 533 CB THR A 35 106.415 -6.088 5.764 1.00 0.00 C ATOM 534 OG1 THR A 35 106.955 -6.597 4.552 1.00 0.00 O ATOM 535 CG2 THR A 35 105.420 -4.972 5.447 1.00 0.00 C ATOM 0 H THR A 35 108.839 -4.532 5.255 1.00 0.00 H new ATOM 0 HA THR A 35 107.170 -5.254 7.612 1.00 0.00 H new ATOM 0 HB THR A 35 105.903 -6.886 6.302 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.363 -6.364 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.613 -5.368 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.007 -4.578 6.376 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.929 -4.172 4.909 1.00 0.00 H new ATOM 543 N THR A 36 108.341 -7.613 7.588 1.00 0.00 N ATOM 544 CA THR A 36 109.336 -8.700 7.786 1.00 0.00 C ATOM 545 C THR A 36 109.837 -9.167 6.418 1.00 0.00 C ATOM 546 O THR A 36 109.189 -8.969 5.409 1.00 0.00 O ATOM 547 CB THR A 36 108.680 -9.874 8.521 1.00 0.00 C ATOM 548 OG1 THR A 36 107.650 -10.421 7.709 1.00 0.00 O ATOM 549 CG2 THR A 36 108.085 -9.389 9.848 1.00 0.00 C ATOM 0 H THR A 36 107.468 -7.723 8.104 1.00 0.00 H new ATOM 0 HA THR A 36 110.172 -8.331 8.381 1.00 0.00 H new ATOM 0 HB THR A 36 109.430 -10.638 8.724 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.230 -11.173 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.620 -10.228 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.876 -8.971 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.335 -8.623 9.652 1.00 0.00 H new ATOM 557 N LYS A 37 110.988 -9.779 6.372 1.00 0.00 N ATOM 558 CA LYS A 37 111.531 -10.249 5.070 1.00 0.00 C ATOM 559 C LYS A 37 110.475 -11.075 4.328 1.00 0.00 C ATOM 560 O LYS A 37 110.254 -10.897 3.148 1.00 0.00 O ATOM 561 CB LYS A 37 112.764 -11.113 5.333 1.00 0.00 C ATOM 562 CG LYS A 37 112.340 -12.426 5.995 1.00 0.00 C ATOM 563 CD LYS A 37 113.583 -13.206 6.426 1.00 0.00 C ATOM 564 CE LYS A 37 113.246 -14.695 6.526 1.00 0.00 C ATOM 565 NZ LYS A 37 114.481 -15.463 6.850 1.00 0.00 N ATOM 0 H LYS A 37 111.576 -9.974 7.183 1.00 0.00 H new ATOM 0 HA LYS A 37 111.801 -9.390 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.284 -11.317 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.464 -10.579 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.708 -12.222 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.747 -13.021 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.388 -13.053 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.940 -12.838 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.492 -14.857 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.822 -15.047 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.252 -16.475 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.187 -15.317 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.867 -15.133 7.758 1.00 0.00 H new ATOM 579 N GLU A 38 109.828 -11.983 5.005 1.00 0.00 N ATOM 580 CA GLU A 38 108.802 -12.825 4.336 1.00 0.00 C ATOM 581 C GLU A 38 107.682 -11.944 3.774 1.00 0.00 C ATOM 582 O GLU A 38 107.161 -12.196 2.705 1.00 0.00 O ATOM 583 CB GLU A 38 108.215 -13.811 5.347 1.00 0.00 C ATOM 584 CG GLU A 38 108.099 -15.194 4.701 1.00 0.00 C ATOM 585 CD GLU A 38 109.495 -15.788 4.510 1.00 0.00 C ATOM 586 OE1 GLU A 38 110.446 -15.176 4.969 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.591 -16.844 3.908 1.00 0.00 O ATOM 0 H GLU A 38 109.968 -12.177 5.997 1.00 0.00 H new ATOM 0 HA GLU A 38 109.269 -13.372 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.850 -13.863 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.234 -13.469 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.496 -15.850 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.591 -15.116 3.740 1.00 0.00 H new ATOM 594 N LYS A 39 107.299 -10.919 4.485 1.00 0.00 N ATOM 595 CA LYS A 39 106.207 -10.033 3.991 1.00 0.00 C ATOM 596 C LYS A 39 106.608 -9.414 2.650 1.00 0.00 C ATOM 597 O LYS A 39 106.019 -9.692 1.625 1.00 0.00 O ATOM 598 CB LYS A 39 105.960 -8.921 5.012 1.00 0.00 C ATOM 599 CG LYS A 39 105.176 -9.479 6.201 1.00 0.00 C ATOM 600 CD LYS A 39 103.916 -10.185 5.698 1.00 0.00 C ATOM 601 CE LYS A 39 104.134 -11.698 5.729 1.00 0.00 C ATOM 602 NZ LYS A 39 104.392 -12.133 7.131 1.00 0.00 N ATOM 0 H LYS A 39 107.695 -10.657 5.387 1.00 0.00 H new ATOM 0 HA LYS A 39 105.298 -10.619 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.910 -8.508 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.405 -8.105 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.796 -10.177 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.906 -8.672 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.063 -9.917 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.685 -9.861 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.257 -12.211 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.976 -11.968 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 104.206 -13.153 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 105.384 -11.939 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.766 -11.611 7.777 1.00 0.00 H new ATOM 616 N ALA A 40 107.602 -8.570 2.652 1.00 0.00 N ATOM 617 CA ALA A 40 108.037 -7.925 1.381 1.00 0.00 C ATOM 618 C ALA A 40 108.188 -8.980 0.283 1.00 0.00 C ATOM 619 O ALA A 40 107.659 -8.842 -0.801 1.00 0.00 O ATOM 620 CB ALA A 40 109.383 -7.234 1.603 1.00 0.00 C ATOM 0 H ALA A 40 108.133 -8.299 3.480 1.00 0.00 H new ATOM 0 HA ALA A 40 107.288 -7.194 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.706 -6.760 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.280 -6.477 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.124 -7.971 1.911 1.00 0.00 H new ATOM 626 N ALA A 41 108.915 -10.029 0.552 1.00 0.00 N ATOM 627 CA ALA A 41 109.111 -11.088 -0.479 1.00 0.00 C ATOM 628 C ALA A 41 107.759 -11.521 -1.046 1.00 0.00 C ATOM 629 O ALA A 41 107.626 -11.790 -2.223 1.00 0.00 O ATOM 630 CB ALA A 41 109.805 -12.293 0.158 1.00 0.00 C ATOM 0 H ALA A 41 109.383 -10.199 1.442 1.00 0.00 H new ATOM 0 HA ALA A 41 109.727 -10.693 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.950 -13.069 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.773 -11.987 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 41 109.188 -12.683 0.967 1.00 0.00 H new ATOM 636 N LEU A 42 106.757 -11.596 -0.218 1.00 0.00 N ATOM 637 CA LEU A 42 105.415 -12.018 -0.706 1.00 0.00 C ATOM 638 C LEU A 42 104.775 -10.889 -1.521 1.00 0.00 C ATOM 639 O LEU A 42 104.017 -11.129 -2.439 1.00 0.00 O ATOM 640 CB LEU A 42 104.523 -12.358 0.490 1.00 0.00 C ATOM 641 CG LEU A 42 104.294 -13.871 0.539 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.048 -14.308 1.986 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.075 -14.228 -0.314 1.00 0.00 C ATOM 0 H LEU A 42 106.809 -11.383 0.778 1.00 0.00 H new ATOM 0 HA LEU A 42 105.524 -12.897 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.991 -12.020 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.569 -11.837 0.406 1.00 0.00 H new ATOM 0 HG LEU A 42 105.175 -14.383 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.885 -15.385 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.915 -14.054 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.168 -13.796 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.910 -15.305 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.196 -13.714 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.249 -13.920 -1.345 1.00 0.00 H new ATOM 655 N LEU A 43 105.069 -9.659 -1.194 1.00 0.00 N ATOM 656 CA LEU A 43 104.469 -8.523 -1.953 1.00 0.00 C ATOM 657 C LEU A 43 105.370 -8.148 -3.128 1.00 0.00 C ATOM 658 O LEU A 43 105.040 -7.295 -3.926 1.00 0.00 O ATOM 659 CB LEU A 43 104.319 -7.314 -1.031 1.00 0.00 C ATOM 660 CG LEU A 43 103.599 -7.736 0.248 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.318 -6.498 1.100 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.277 -8.424 -0.113 1.00 0.00 C ATOM 0 H LEU A 43 105.697 -9.392 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 43 103.491 -8.824 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.299 -6.903 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.758 -6.527 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 43 104.224 -8.430 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.804 -6.795 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.259 -6.010 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.690 -5.805 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.763 -8.725 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.648 -7.732 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.480 -9.304 -0.723 1.00 0.00 H new ATOM 674 N TYR A 44 106.506 -8.775 -3.244 1.00 0.00 N ATOM 675 CA TYR A 44 107.417 -8.445 -4.374 1.00 0.00 C ATOM 676 C TYR A 44 106.883 -9.092 -5.653 1.00 0.00 C ATOM 677 O TYR A 44 106.580 -8.424 -6.621 1.00 0.00 O ATOM 678 CB TYR A 44 108.818 -8.978 -4.071 1.00 0.00 C ATOM 679 CG TYR A 44 109.816 -8.379 -5.036 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.802 -8.753 -6.385 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.769 -7.462 -4.576 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.734 -8.208 -7.273 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.705 -6.921 -5.464 1.00 0.00 C ATOM 684 CZ TYR A 44 111.687 -7.293 -6.814 1.00 0.00 C ATOM 685 OH TYR A 44 112.611 -6.762 -7.693 1.00 0.00 O ATOM 0 H TYR A 44 106.842 -9.499 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 44 107.466 -7.364 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.097 -8.732 -3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.828 -10.065 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.070 -9.463 -6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.781 -7.172 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.718 -8.494 -8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.442 -6.216 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 44 112.679 -5.795 -7.551 1.00 0.00 H new ATOM 695 N LYS A 45 106.762 -10.390 -5.662 1.00 0.00 N ATOM 696 CA LYS A 45 106.245 -11.081 -6.874 1.00 0.00 C ATOM 697 C LYS A 45 104.741 -10.836 -7.001 1.00 0.00 C ATOM 698 O LYS A 45 104.160 -11.018 -8.051 1.00 0.00 O ATOM 699 CB LYS A 45 106.509 -12.583 -6.756 1.00 0.00 C ATOM 700 CG LYS A 45 107.831 -12.924 -7.445 1.00 0.00 C ATOM 701 CD LYS A 45 107.587 -13.983 -8.521 1.00 0.00 C ATOM 702 CE LYS A 45 108.853 -14.158 -9.362 1.00 0.00 C ATOM 703 NZ LYS A 45 109.943 -14.708 -8.507 1.00 0.00 N ATOM 0 H LYS A 45 106.999 -11.002 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 45 106.751 -10.691 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.548 -12.875 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.693 -13.143 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 108.262 -12.028 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.550 -13.292 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.312 -14.930 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.754 -13.685 -9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.658 -14.830 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.156 -13.201 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 110.733 -15.017 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 110.274 -13.972 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.583 -15.519 -7.964 1.00 0.00 H new ATOM 717 N LYS A 46 104.103 -10.422 -5.937 1.00 0.00 N ATOM 718 CA LYS A 46 102.638 -10.167 -6.005 1.00 0.00 C ATOM 719 C LYS A 46 102.389 -8.773 -6.586 1.00 0.00 C ATOM 720 O LYS A 46 101.717 -8.618 -7.585 1.00 0.00 O ATOM 721 CB LYS A 46 102.043 -10.251 -4.599 1.00 0.00 C ATOM 722 CG LYS A 46 100.563 -10.630 -4.692 1.00 0.00 C ATOM 723 CD LYS A 46 100.089 -11.177 -3.344 1.00 0.00 C ATOM 724 CE LYS A 46 99.759 -12.664 -3.483 1.00 0.00 C ATOM 725 NZ LYS A 46 101.004 -13.466 -3.317 1.00 0.00 N ATOM 0 H LYS A 46 104.533 -10.251 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 46 102.166 -10.914 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.582 -10.991 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 46 102.153 -9.294 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 46 99.971 -9.759 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 100.417 -11.378 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.863 -11.035 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.210 -10.629 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.023 -12.956 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.315 -12.859 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.781 -14.477 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.692 -13.194 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 101.409 -13.287 -2.376 1.00 0.00 H new ATOM 739 N ILE A 47 102.929 -7.756 -5.969 1.00 0.00 N ATOM 740 CA ILE A 47 102.728 -6.371 -6.484 1.00 0.00 C ATOM 741 C ILE A 47 103.327 -6.255 -7.889 1.00 0.00 C ATOM 742 O ILE A 47 102.944 -5.407 -8.670 1.00 0.00 O ATOM 743 CB ILE A 47 103.438 -5.379 -5.558 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.765 -5.403 -4.164 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.399 -3.975 -6.181 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.918 -4.146 -3.921 1.00 0.00 C ATOM 0 H ILE A 47 103.502 -7.825 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 47 101.661 -6.150 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 47 104.483 -5.662 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.135 -6.288 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.530 -5.481 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.905 -3.270 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.902 -3.992 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.363 -3.666 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.462 -4.200 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.553 -3.262 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.136 -4.082 -4.678 1.00 0.00 H new ATOM 758 N MET A 48 104.276 -7.092 -8.209 1.00 0.00 N ATOM 759 CA MET A 48 104.919 -7.024 -9.556 1.00 0.00 C ATOM 760 C MET A 48 103.892 -7.304 -10.658 1.00 0.00 C ATOM 761 O MET A 48 104.178 -7.153 -11.828 1.00 0.00 O ATOM 762 CB MET A 48 106.037 -8.066 -9.633 1.00 0.00 C ATOM 763 CG MET A 48 107.391 -7.360 -9.729 1.00 0.00 C ATOM 764 SD MET A 48 108.463 -8.264 -10.876 1.00 0.00 S ATOM 765 CE MET A 48 108.836 -9.659 -9.786 1.00 0.00 C ATOM 0 H MET A 48 104.636 -7.823 -7.595 1.00 0.00 H new ATOM 0 HA MET A 48 105.326 -6.023 -9.701 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.012 -8.707 -8.752 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.889 -8.710 -10.500 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.255 -6.335 -10.073 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.856 -7.307 -8.745 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.916 -9.799 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.444 -9.457 -8.789 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.373 -10.563 -10.181 1.00 0.00 H new ATOM 775 N GLU A 49 102.705 -7.718 -10.306 1.00 0.00 N ATOM 776 CA GLU A 49 101.688 -8.009 -11.357 1.00 0.00 C ATOM 777 C GLU A 49 100.461 -7.111 -11.175 1.00 0.00 C ATOM 778 O GLU A 49 99.893 -6.627 -12.135 1.00 0.00 O ATOM 779 CB GLU A 49 101.262 -9.475 -11.258 1.00 0.00 C ATOM 780 CG GLU A 49 100.698 -9.933 -12.604 1.00 0.00 C ATOM 781 CD GLU A 49 99.463 -10.806 -12.369 1.00 0.00 C ATOM 782 OE1 GLU A 49 99.454 -11.532 -11.387 1.00 0.00 O ATOM 783 OE2 GLU A 49 98.551 -10.735 -13.174 1.00 0.00 O ATOM 0 H GLU A 49 102.397 -7.866 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 49 102.126 -7.814 -12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.114 -10.095 -10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.511 -9.595 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.435 -9.068 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.453 -10.493 -13.155 1.00 0.00 H new ATOM 790 N LYS A 50 100.031 -6.895 -9.962 1.00 0.00 N ATOM 791 CA LYS A 50 98.830 -6.043 -9.747 1.00 0.00 C ATOM 792 C LYS A 50 99.177 -4.567 -9.965 1.00 0.00 C ATOM 793 O LYS A 50 98.309 -3.717 -9.963 1.00 0.00 O ATOM 794 CB LYS A 50 98.304 -6.246 -8.323 1.00 0.00 C ATOM 795 CG LYS A 50 99.459 -6.201 -7.325 1.00 0.00 C ATOM 796 CD LYS A 50 99.537 -7.533 -6.577 1.00 0.00 C ATOM 797 CE LYS A 50 98.243 -7.756 -5.789 1.00 0.00 C ATOM 798 NZ LYS A 50 97.295 -8.563 -6.606 1.00 0.00 N ATOM 0 H LYS A 50 100.458 -7.270 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 50 98.061 -6.331 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.575 -5.472 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.788 -7.203 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.397 -6.009 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.313 -5.383 -6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.690 -8.349 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.391 -7.532 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.459 -8.269 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.792 -6.798 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.534 -7.950 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.802 -8.986 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.886 -9.317 -6.019 1.00 0.00 H new ATOM 812 N TYR A 51 100.429 -4.244 -10.155 1.00 0.00 N ATOM 813 CA TYR A 51 100.787 -2.811 -10.371 1.00 0.00 C ATOM 814 C TYR A 51 101.969 -2.677 -11.338 1.00 0.00 C ATOM 815 O TYR A 51 102.433 -1.586 -11.583 1.00 0.00 O ATOM 816 CB TYR A 51 101.174 -2.163 -9.037 1.00 0.00 C ATOM 817 CG TYR A 51 99.972 -2.104 -8.129 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.693 -3.175 -7.277 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.131 -0.982 -8.142 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.579 -3.128 -6.437 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.015 -0.935 -7.307 1.00 0.00 C ATOM 822 CZ TYR A 51 97.736 -2.007 -6.451 1.00 0.00 C ATOM 823 OH TYR A 51 96.632 -1.963 -5.624 1.00 0.00 O ATOM 0 H TYR A 51 101.210 -4.900 -10.170 1.00 0.00 H new ATOM 0 HA TYR A 51 99.917 -2.312 -10.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.972 -2.735 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.561 -1.159 -9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.340 -4.040 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.348 -0.153 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.366 -3.955 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.366 -0.072 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 51 96.157 -1.116 -5.758 1.00 0.00 H new ATOM 833 N SER A 52 102.471 -3.758 -11.885 1.00 0.00 N ATOM 834 CA SER A 52 103.634 -3.636 -12.820 1.00 0.00 C ATOM 835 C SER A 52 104.631 -2.637 -12.226 1.00 0.00 C ATOM 836 O SER A 52 105.107 -1.739 -12.891 1.00 0.00 O ATOM 837 CB SER A 52 103.149 -3.130 -14.180 1.00 0.00 C ATOM 838 OG SER A 52 101.821 -3.585 -14.403 1.00 0.00 O ATOM 0 H SER A 52 102.132 -4.707 -11.728 1.00 0.00 H new ATOM 0 HA SER A 52 104.111 -4.607 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.182 -2.041 -14.209 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.807 -3.490 -14.971 1.00 0.00 H new ATOM 0 HG SER A 52 101.506 -3.261 -15.273 1.00 0.00 H new ATOM 844 N VAL A 53 104.910 -2.781 -10.962 1.00 0.00 N ATOM 845 CA VAL A 53 105.837 -1.849 -10.260 1.00 0.00 C ATOM 846 C VAL A 53 106.965 -1.370 -11.171 1.00 0.00 C ATOM 847 O VAL A 53 107.635 -2.147 -11.822 1.00 0.00 O ATOM 848 CB VAL A 53 106.437 -2.559 -9.050 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.372 -2.676 -7.963 1.00 0.00 C ATOM 850 CG2 VAL A 53 106.906 -3.957 -9.458 1.00 0.00 C ATOM 0 H VAL A 53 104.527 -3.520 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 53 105.264 -0.975 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 53 107.287 -1.990 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.793 -3.182 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.035 -1.680 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.526 -3.249 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.335 -4.464 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.058 -4.531 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.660 -3.874 -10.240 1.00 0.00 H new ATOM 860 N THR A 54 107.198 -0.083 -11.186 1.00 0.00 N ATOM 861 CA THR A 54 108.303 0.472 -12.011 1.00 0.00 C ATOM 862 C THR A 54 109.619 0.121 -11.320 1.00 0.00 C ATOM 863 O THR A 54 110.630 -0.112 -11.949 1.00 0.00 O ATOM 864 CB THR A 54 108.156 1.992 -12.107 1.00 0.00 C ATOM 865 OG1 THR A 54 106.899 2.308 -12.689 1.00 0.00 O ATOM 866 CG2 THR A 54 109.279 2.562 -12.974 1.00 0.00 C ATOM 0 H THR A 54 106.665 0.608 -10.658 1.00 0.00 H new ATOM 0 HA THR A 54 108.279 0.056 -13.018 1.00 0.00 H new ATOM 0 HB THR A 54 108.215 2.427 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.802 3.281 -12.750 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.173 3.645 -13.041 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.243 2.319 -12.527 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.223 2.129 -13.973 1.00 0.00 H new ATOM 874 N PHE A 55 109.591 0.056 -10.015 1.00 0.00 N ATOM 875 CA PHE A 55 110.811 -0.308 -9.247 1.00 0.00 C ATOM 876 C PHE A 55 110.389 -1.078 -7.997 1.00 0.00 C ATOM 877 O PHE A 55 109.866 -0.513 -7.057 1.00 0.00 O ATOM 878 CB PHE A 55 111.579 0.946 -8.818 1.00 0.00 C ATOM 879 CG PHE A 55 112.677 0.540 -7.859 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.671 -0.353 -8.278 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.694 1.039 -6.548 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.680 -0.744 -7.393 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.707 0.648 -5.661 1.00 0.00 C ATOM 884 CZ PHE A 55 114.700 -0.245 -6.085 1.00 0.00 C ATOM 0 H PHE A 55 108.765 0.242 -9.446 1.00 0.00 H new ATOM 0 HA PHE A 55 111.458 -0.916 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.004 1.445 -9.689 1.00 0.00 H new ATOM 0 HB3 PHE A 55 110.905 1.657 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.658 -0.740 -9.286 1.00 0.00 H new ATOM 0 HD2 PHE A 55 111.926 1.725 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.446 -1.432 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.722 1.034 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.481 -0.548 -5.403 1.00 0.00 H new ATOM 894 N ILE A 56 110.615 -2.360 -7.976 1.00 0.00 N ATOM 895 CA ILE A 56 110.234 -3.163 -6.785 1.00 0.00 C ATOM 896 C ILE A 56 111.505 -3.784 -6.206 1.00 0.00 C ATOM 897 O ILE A 56 112.057 -4.712 -6.756 1.00 0.00 O ATOM 898 CB ILE A 56 109.246 -4.254 -7.207 1.00 0.00 C ATOM 899 CG1 ILE A 56 108.893 -5.129 -6.004 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.870 -5.118 -8.305 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.809 -6.128 -6.413 1.00 0.00 C ATOM 0 H ILE A 56 111.048 -2.887 -8.734 1.00 0.00 H new ATOM 0 HA ILE A 56 109.756 -2.538 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 56 108.338 -3.785 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.778 -5.658 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.542 -4.510 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.164 -5.893 -8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.109 -4.495 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.782 -5.582 -7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.552 -6.756 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 56 106.923 -5.587 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.179 -6.754 -7.225 1.00 0.00 H new ATOM 913 N SER A 57 111.993 -3.260 -5.116 1.00 0.00 N ATOM 914 CA SER A 57 113.251 -3.813 -4.535 1.00 0.00 C ATOM 915 C SER A 57 113.074 -4.089 -3.042 1.00 0.00 C ATOM 916 O SER A 57 112.190 -3.565 -2.403 1.00 0.00 O ATOM 917 CB SER A 57 114.380 -2.802 -4.729 1.00 0.00 C ATOM 918 OG SER A 57 115.544 -3.265 -4.057 1.00 0.00 O ATOM 0 H SER A 57 111.580 -2.479 -4.605 1.00 0.00 H new ATOM 0 HA SER A 57 113.493 -4.748 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.587 -2.670 -5.791 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.083 -1.829 -4.339 1.00 0.00 H new ATOM 0 HG SER A 57 115.649 -4.227 -4.210 1.00 0.00 H new ATOM 924 N ARG A 58 113.925 -4.907 -2.484 1.00 0.00 N ATOM 925 CA ARG A 58 113.829 -5.217 -1.027 1.00 0.00 C ATOM 926 C ARG A 58 115.197 -4.979 -0.379 1.00 0.00 C ATOM 927 O ARG A 58 116.225 -5.242 -0.970 1.00 0.00 O ATOM 928 CB ARG A 58 113.412 -6.681 -0.820 1.00 0.00 C ATOM 929 CG ARG A 58 113.615 -7.480 -2.112 1.00 0.00 C ATOM 930 CD ARG A 58 112.933 -8.845 -1.982 1.00 0.00 C ATOM 931 NE ARG A 58 113.532 -9.795 -2.961 1.00 0.00 N ATOM 932 CZ ARG A 58 113.156 -11.045 -2.971 1.00 0.00 C ATOM 933 NH1 ARG A 58 111.888 -11.346 -2.892 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.049 -11.994 -3.059 1.00 0.00 N ATOM 0 H ARG A 58 114.686 -5.376 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 58 113.079 -4.572 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.999 -7.123 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 58 112.367 -6.729 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.200 -6.934 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 58 114.679 -7.611 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 58 113.052 -9.228 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.862 -8.747 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 58 114.236 -9.469 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.191 -10.604 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.594 -12.323 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 58 115.039 -11.758 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.756 -12.971 -3.067 1.00 0.00 H new ATOM 948 N HIS A 59 115.222 -4.477 0.828 1.00 0.00 N ATOM 949 CA HIS A 59 116.532 -4.220 1.499 1.00 0.00 C ATOM 950 C HIS A 59 116.441 -4.586 2.981 1.00 0.00 C ATOM 951 O HIS A 59 115.412 -5.020 3.461 1.00 0.00 O ATOM 952 CB HIS A 59 116.889 -2.739 1.363 1.00 0.00 C ATOM 953 CG HIS A 59 117.030 -2.391 -0.093 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.263 -2.150 -0.678 1.00 0.00 N ATOM 955 CD2 HIS A 59 116.103 -2.245 -1.095 1.00 0.00 C ATOM 956 CE1 HIS A 59 118.047 -1.876 -1.977 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.749 -1.920 -2.285 1.00 0.00 N ATOM 0 H HIS A 59 114.397 -4.235 1.376 1.00 0.00 H new ATOM 0 HA HIS A 59 117.302 -4.830 1.027 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.115 -2.123 1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.819 -2.528 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 59 115.036 -2.364 -0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.830 -1.648 -2.685 1.00 0.00 H new ATOM 0 HE2 HIS A 59 116.322 -1.752 -3.196 1.00 0.00 H new ATOM 965 N ASN A 60 117.510 -4.414 3.713 1.00 0.00 N ATOM 966 CA ASN A 60 117.482 -4.753 5.165 1.00 0.00 C ATOM 967 C ASN A 60 117.876 -3.524 5.987 1.00 0.00 C ATOM 968 O ASN A 60 118.625 -2.679 5.540 1.00 0.00 O ATOM 969 CB ASN A 60 118.466 -5.892 5.447 1.00 0.00 C ATOM 970 CG ASN A 60 118.530 -6.824 4.237 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.834 -6.396 3.142 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.259 -8.091 4.390 1.00 0.00 N ATOM 0 H ASN A 60 118.400 -4.054 3.368 1.00 0.00 H new ATOM 0 HA ASN A 60 116.475 -5.067 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.455 -5.487 5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.152 -6.447 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.302 -8.722 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.004 -8.450 5.310 1.00 0.00 H new ATOM 979 N SER A 61 117.372 -3.418 7.187 1.00 0.00 N ATOM 980 CA SER A 61 117.710 -2.244 8.040 1.00 0.00 C ATOM 981 C SER A 61 117.846 -2.683 9.500 1.00 0.00 C ATOM 982 O SER A 61 118.917 -3.035 9.954 1.00 0.00 O ATOM 983 CB SER A 61 116.602 -1.201 7.920 1.00 0.00 C ATOM 984 OG SER A 61 115.429 -1.817 7.406 1.00 0.00 O ATOM 0 H SER A 61 116.740 -4.095 7.613 1.00 0.00 H new ATOM 0 HA SER A 61 118.656 -1.815 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.397 -0.758 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 61 116.919 -0.391 7.263 1.00 0.00 H new ATOM 0 HG SER A 61 114.749 -1.865 8.110 1.00 0.00 H new ATOM 990 N TYR A 62 116.773 -2.659 10.242 1.00 0.00 N ATOM 991 CA TYR A 62 116.849 -3.067 11.674 1.00 0.00 C ATOM 992 C TYR A 62 116.607 -4.575 11.801 1.00 0.00 C ATOM 993 O TYR A 62 117.524 -5.368 11.728 1.00 0.00 O ATOM 994 CB TYR A 62 115.790 -2.309 12.476 1.00 0.00 C ATOM 995 CG TYR A 62 116.334 -0.958 12.875 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.972 -0.151 11.924 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.204 -0.511 14.195 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.478 1.098 12.293 1.00 0.00 C ATOM 999 CE2 TYR A 62 116.710 0.738 14.564 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.348 1.544 13.613 1.00 0.00 C ATOM 1001 OH TYR A 62 117.848 2.777 13.977 1.00 0.00 O ATOM 0 H TYR A 62 115.848 -2.375 9.919 1.00 0.00 H new ATOM 0 HA TYR A 62 117.840 -2.831 12.062 1.00 0.00 H new ATOM 0 HB2 TYR A 62 114.885 -2.187 11.881 1.00 0.00 H new ATOM 0 HB3 TYR A 62 115.514 -2.878 13.363 1.00 0.00 H new ATOM 0 HD1 TYR A 62 117.073 -0.495 10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.712 -1.132 14.929 1.00 0.00 H new ATOM 0 HE1 TYR A 62 117.970 1.719 11.559 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.609 1.082 15.583 1.00 0.00 H new ATOM 0 HH TYR A 62 117.673 2.933 14.929 1.00 0.00 H new ATOM 1011 N ASN A 63 115.380 -4.977 11.996 1.00 0.00 N ATOM 1012 CA ASN A 63 115.087 -6.433 12.134 1.00 0.00 C ATOM 1013 C ASN A 63 114.116 -6.873 11.039 1.00 0.00 C ATOM 1014 O ASN A 63 113.431 -7.868 11.170 1.00 0.00 O ATOM 1015 CB ASN A 63 114.454 -6.699 13.501 1.00 0.00 C ATOM 1016 CG ASN A 63 115.352 -6.132 14.602 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.554 -6.305 14.571 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.815 -5.453 15.579 1.00 0.00 N ATOM 0 H ASN A 63 114.569 -4.362 12.066 1.00 0.00 H new ATOM 0 HA ASN A 63 116.017 -6.994 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.467 -6.240 13.551 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.316 -7.770 13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.405 -5.068 16.317 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.806 -5.308 15.605 1.00 0.00 H new ATOM 1025 N HIS A 64 114.044 -6.144 9.961 1.00 0.00 N ATOM 1026 CA HIS A 64 113.110 -6.531 8.868 1.00 0.00 C ATOM 1027 C HIS A 64 113.621 -5.979 7.537 1.00 0.00 C ATOM 1028 O HIS A 64 114.722 -5.476 7.447 1.00 0.00 O ATOM 1029 CB HIS A 64 111.721 -5.972 9.173 1.00 0.00 C ATOM 1030 CG HIS A 64 111.193 -6.642 10.411 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.910 -5.943 11.572 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.909 -7.956 10.689 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.479 -6.835 12.484 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.459 -8.074 11.997 1.00 0.00 N ATOM 0 H HIS A 64 114.590 -5.299 9.790 1.00 0.00 H new ATOM 0 HA HIS A 64 113.052 -7.617 8.799 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.772 -4.893 9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.050 -6.148 8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.019 -8.775 9.994 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.185 -6.576 13.490 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.175 -8.926 12.480 1.00 0.00 H new ATOM 1042 N ASN A 65 112.837 -6.080 6.497 1.00 0.00 N ATOM 1043 CA ASN A 65 113.297 -5.575 5.174 1.00 0.00 C ATOM 1044 C ASN A 65 112.299 -4.558 4.613 1.00 0.00 C ATOM 1045 O ASN A 65 111.110 -4.629 4.861 1.00 0.00 O ATOM 1046 CB ASN A 65 113.416 -6.749 4.200 1.00 0.00 C ATOM 1047 CG ASN A 65 114.302 -7.837 4.810 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.103 -9.009 4.561 1.00 0.00 O ATOM 1049 ND2 ASN A 65 115.280 -7.498 5.605 1.00 0.00 N ATOM 0 H ASN A 65 111.902 -6.489 6.507 1.00 0.00 H new ATOM 0 HA ASN A 65 114.265 -5.090 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.428 -7.153 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.840 -6.409 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.876 -8.217 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.449 -6.514 5.815 1.00 0.00 H new ATOM 1056 N ILE A 66 112.781 -3.619 3.840 1.00 0.00 N ATOM 1057 CA ILE A 66 111.877 -2.601 3.236 1.00 0.00 C ATOM 1058 C ILE A 66 111.689 -2.935 1.754 1.00 0.00 C ATOM 1059 O ILE A 66 112.644 -3.080 1.018 1.00 0.00 O ATOM 1060 CB ILE A 66 112.505 -1.212 3.369 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.417 -0.744 4.824 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.757 -0.224 2.473 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.752 -0.999 5.526 1.00 0.00 C ATOM 0 H ILE A 66 113.767 -3.515 3.601 1.00 0.00 H new ATOM 0 HA ILE A 66 110.915 -2.608 3.748 1.00 0.00 H new ATOM 0 HB ILE A 66 113.551 -1.260 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.172 0.317 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.616 -1.274 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.205 0.765 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.821 -0.553 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.711 -0.179 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.688 -0.665 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.978 -2.065 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.542 -0.449 5.016 1.00 0.00 H new ATOM 1075 N LEU A 67 110.469 -3.076 1.312 1.00 0.00 N ATOM 1076 CA LEU A 67 110.238 -3.418 -0.119 1.00 0.00 C ATOM 1077 C LEU A 67 109.614 -2.229 -0.856 1.00 0.00 C ATOM 1078 O LEU A 67 108.441 -1.945 -0.712 1.00 0.00 O ATOM 1079 CB LEU A 67 109.293 -4.625 -0.198 1.00 0.00 C ATOM 1080 CG LEU A 67 108.747 -4.777 -1.622 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.076 -6.172 -2.153 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.227 -4.596 -1.609 1.00 0.00 C ATOM 0 H LEU A 67 109.627 -2.970 1.877 1.00 0.00 H new ATOM 0 HA LEU A 67 111.191 -3.659 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.823 -5.531 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.469 -4.497 0.504 1.00 0.00 H new ATOM 0 HG LEU A 67 109.204 -4.023 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.687 -6.277 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.157 -6.312 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.619 -6.924 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.839 -4.704 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.776 -5.351 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.982 -3.604 -1.231 1.00 0.00 H new ATOM 1094 N PHE A 68 110.382 -1.547 -1.666 1.00 0.00 N ATOM 1095 CA PHE A 68 109.816 -0.400 -2.430 1.00 0.00 C ATOM 1096 C PHE A 68 109.045 -0.950 -3.619 1.00 0.00 C ATOM 1097 O PHE A 68 109.294 -2.049 -4.076 1.00 0.00 O ATOM 1098 CB PHE A 68 110.933 0.480 -2.994 1.00 0.00 C ATOM 1099 CG PHE A 68 111.762 1.077 -1.892 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.201 1.989 -0.992 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.109 0.730 -1.790 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.990 2.551 0.012 1.00 0.00 C ATOM 1103 CE2 PHE A 68 113.899 1.289 -0.793 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.343 2.203 0.114 1.00 0.00 C ATOM 0 H PHE A 68 111.371 -1.735 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 68 109.184 0.184 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 68 111.569 -0.112 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 68 110.501 1.276 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.158 2.258 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.539 0.026 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.558 3.253 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 68 114.942 1.019 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 113.957 2.637 0.889 1.00 0.00 H new ATOM 1114 N PHE A 69 108.138 -0.186 -4.147 1.00 0.00 N ATOM 1115 CA PHE A 69 107.383 -0.658 -5.332 1.00 0.00 C ATOM 1116 C PHE A 69 106.624 0.516 -5.948 1.00 0.00 C ATOM 1117 O PHE A 69 105.707 1.071 -5.366 1.00 0.00 O ATOM 1118 CB PHE A 69 106.440 -1.800 -4.932 1.00 0.00 C ATOM 1119 CG PHE A 69 105.198 -1.280 -4.251 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.238 -0.931 -2.897 1.00 0.00 C ATOM 1121 CD2 PHE A 69 103.997 -1.183 -4.964 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.078 -0.479 -2.259 1.00 0.00 C ATOM 1123 CE2 PHE A 69 102.838 -0.738 -4.327 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.877 -0.384 -2.973 1.00 0.00 C ATOM 0 H PHE A 69 107.887 0.743 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 69 108.070 -1.049 -6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.159 -2.368 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 69 106.961 -2.487 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.163 -1.010 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 69 103.968 -1.453 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.109 -0.203 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 69 101.912 -0.667 -4.878 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.981 -0.038 -2.479 1.00 0.00 H new ATOM 1134 N LEU A 70 107.032 0.908 -7.127 1.00 0.00 N ATOM 1135 CA LEU A 70 106.378 2.052 -7.819 1.00 0.00 C ATOM 1136 C LEU A 70 105.153 1.545 -8.573 1.00 0.00 C ATOM 1137 O LEU A 70 104.789 0.394 -8.470 1.00 0.00 O ATOM 1138 CB LEU A 70 107.363 2.663 -8.817 1.00 0.00 C ATOM 1139 CG LEU A 70 107.853 4.013 -8.299 1.00 0.00 C ATOM 1140 CD1 LEU A 70 108.769 3.801 -7.094 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.632 4.718 -9.406 1.00 0.00 C ATOM 0 H LEU A 70 107.799 0.478 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 70 106.078 2.803 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.209 1.991 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.882 2.788 -9.787 1.00 0.00 H new ATOM 0 HG LEU A 70 106.999 4.621 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.117 4.767 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.219 3.289 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.626 3.196 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.986 5.683 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.485 4.105 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.983 4.870 -10.268 1.00 0.00 H new ATOM 1153 N THR A 71 104.512 2.395 -9.329 1.00 0.00 N ATOM 1154 CA THR A 71 103.308 1.951 -10.086 1.00 0.00 C ATOM 1155 C THR A 71 103.031 2.919 -11.245 1.00 0.00 C ATOM 1156 O THR A 71 103.446 4.060 -11.211 1.00 0.00 O ATOM 1157 CB THR A 71 102.109 1.943 -9.144 1.00 0.00 C ATOM 1158 OG1 THR A 71 101.972 3.237 -8.567 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.319 0.901 -8.039 1.00 0.00 C ATOM 0 H THR A 71 104.769 3.374 -9.455 1.00 0.00 H new ATOM 0 HA THR A 71 103.480 0.952 -10.487 1.00 0.00 H new ATOM 0 HB THR A 71 101.206 1.687 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.141 3.278 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.458 0.901 -7.370 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.430 -0.087 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.218 1.146 -7.474 1.00 0.00 H new ATOM 1167 N PRO A 72 102.326 2.427 -12.235 1.00 0.00 N ATOM 1168 CA PRO A 72 101.956 3.216 -13.422 1.00 0.00 C ATOM 1169 C PRO A 72 100.786 4.151 -13.098 1.00 0.00 C ATOM 1170 O PRO A 72 100.976 5.312 -12.802 1.00 0.00 O ATOM 1171 CB PRO A 72 101.542 2.156 -14.446 1.00 0.00 C ATOM 1172 CG PRO A 72 101.155 0.897 -13.634 1.00 0.00 C ATOM 1173 CD PRO A 72 101.837 1.035 -12.261 1.00 0.00 C ATOM 0 HA PRO A 72 102.764 3.854 -13.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 100.703 2.504 -15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.359 1.939 -15.134 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.073 0.824 -13.524 1.00 0.00 H new ATOM 0 HG3 PRO A 72 101.486 -0.009 -14.142 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.137 0.844 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 72 102.655 0.324 -12.150 1.00 0.00 H new ATOM 1181 N HIS A 73 99.575 3.657 -13.150 1.00 0.00 N ATOM 1182 CA HIS A 73 98.412 4.536 -12.840 1.00 0.00 C ATOM 1183 C HIS A 73 98.505 4.983 -11.374 1.00 0.00 C ATOM 1184 O HIS A 73 98.058 4.313 -10.473 1.00 0.00 O ATOM 1185 CB HIS A 73 97.094 3.787 -13.127 1.00 0.00 C ATOM 1186 CG HIS A 73 96.741 2.829 -12.014 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.690 2.078 -11.337 1.00 0.00 N ATOM 1188 CD2 HIS A 73 95.532 2.496 -11.452 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.039 1.340 -10.411 1.00 0.00 C ATOM 1190 NE2 HIS A 73 95.722 1.556 -10.443 1.00 0.00 N ATOM 0 H HIS A 73 99.345 2.693 -13.391 1.00 0.00 H new ATOM 0 HA HIS A 73 98.427 5.423 -13.474 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.287 4.508 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.184 3.238 -14.064 1.00 0.00 H new ATOM 0 HD2 HIS A 73 94.577 2.903 -11.749 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.525 0.659 -9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.009 1.125 -9.855 1.00 0.00 H new ATOM 1198 N ARG A 74 99.119 6.113 -11.140 1.00 0.00 N ATOM 1199 CA ARG A 74 99.288 6.622 -9.744 1.00 0.00 C ATOM 1200 C ARG A 74 98.051 6.318 -8.894 1.00 0.00 C ATOM 1201 O ARG A 74 96.930 6.364 -9.363 1.00 0.00 O ATOM 1202 CB ARG A 74 99.511 8.136 -9.783 1.00 0.00 C ATOM 1203 CG ARG A 74 98.321 8.813 -10.467 1.00 0.00 C ATOM 1204 CD ARG A 74 98.810 10.021 -11.269 1.00 0.00 C ATOM 1205 NE ARG A 74 97.657 10.912 -11.581 1.00 0.00 N ATOM 1206 CZ ARG A 74 97.028 10.794 -12.718 1.00 0.00 C ATOM 1207 NH1 ARG A 74 97.112 9.684 -13.399 1.00 0.00 N ATOM 1208 NH2 ARG A 74 96.315 11.786 -13.176 1.00 0.00 N ATOM 0 H ARG A 74 99.515 6.712 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 74 100.147 6.123 -9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 74 99.630 8.522 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 74 100.431 8.364 -10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 74 97.817 8.106 -11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 74 97.592 9.130 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.562 10.568 -10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.287 9.689 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 74 97.359 11.615 -10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 74 97.670 8.908 -13.042 1.00 0.00 H new ATOM 0 HH12 ARG A 74 96.620 9.592 -14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 74 96.249 12.654 -12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 74 95.824 11.693 -14.065 1.00 0.00 H new ATOM 1222 N HIS A 75 98.253 6.023 -7.635 1.00 0.00 N ATOM 1223 CA HIS A 75 97.100 5.732 -6.729 1.00 0.00 C ATOM 1224 C HIS A 75 97.321 6.439 -5.396 1.00 0.00 C ATOM 1225 O HIS A 75 98.408 6.886 -5.089 1.00 0.00 O ATOM 1226 CB HIS A 75 96.979 4.226 -6.446 1.00 0.00 C ATOM 1227 CG HIS A 75 98.053 3.456 -7.158 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.906 3.023 -8.458 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.284 3.016 -6.755 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.027 2.351 -8.788 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.895 2.319 -7.783 1.00 0.00 N ATOM 0 H HIS A 75 99.171 5.971 -7.193 1.00 0.00 H new ATOM 0 HA HIS A 75 96.191 6.081 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.049 4.047 -5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.999 3.870 -6.765 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.098 3.182 -9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.715 3.187 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.198 1.894 -9.752 1.00 0.00 H new ATOM 1239 N ARG A 76 96.304 6.517 -4.586 1.00 0.00 N ATOM 1240 CA ARG A 76 96.465 7.163 -3.259 1.00 0.00 C ATOM 1241 C ARG A 76 96.911 6.090 -2.266 1.00 0.00 C ATOM 1242 O ARG A 76 96.568 4.932 -2.400 1.00 0.00 O ATOM 1243 CB ARG A 76 95.132 7.764 -2.807 1.00 0.00 C ATOM 1244 CG ARG A 76 94.346 8.246 -4.028 1.00 0.00 C ATOM 1245 CD ARG A 76 93.747 9.623 -3.739 1.00 0.00 C ATOM 1246 NE ARG A 76 92.265 9.561 -3.883 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.501 10.200 -3.042 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.936 11.282 -2.455 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.299 9.759 -2.788 1.00 0.00 N ATOM 0 H ARG A 76 95.369 6.161 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 76 97.204 7.963 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.553 7.020 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 76 95.309 8.595 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.001 8.298 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.554 7.536 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 76 94.012 9.942 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.159 10.362 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 76 91.848 9.019 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.875 11.628 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.337 11.781 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 76 89.958 8.915 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.701 10.259 -2.130 1.00 0.00 H new ATOM 1263 N VAL A 77 97.678 6.452 -1.278 1.00 0.00 N ATOM 1264 CA VAL A 77 98.141 5.432 -0.298 1.00 0.00 C ATOM 1265 C VAL A 77 96.929 4.771 0.365 1.00 0.00 C ATOM 1266 O VAL A 77 97.042 3.738 0.995 1.00 0.00 O ATOM 1267 CB VAL A 77 99.029 6.102 0.754 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.152 5.202 1.987 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.418 6.329 0.153 1.00 0.00 C ATOM 0 H VAL A 77 98.003 7.404 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 77 98.721 4.665 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 77 98.587 7.053 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.785 5.687 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.163 5.029 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.595 4.249 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.061 6.806 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.849 5.371 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.335 6.971 -0.724 1.00 0.00 H new ATOM 1279 N SER A 78 95.766 5.348 0.221 1.00 0.00 N ATOM 1280 CA SER A 78 94.554 4.738 0.834 1.00 0.00 C ATOM 1281 C SER A 78 94.137 3.512 0.014 1.00 0.00 C ATOM 1282 O SER A 78 93.777 2.485 0.556 1.00 0.00 O ATOM 1283 CB SER A 78 93.415 5.759 0.841 1.00 0.00 C ATOM 1284 OG SER A 78 92.171 5.077 0.756 1.00 0.00 O ATOM 0 H SER A 78 95.604 6.214 -0.294 1.00 0.00 H new ATOM 0 HA SER A 78 94.774 4.437 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.453 6.357 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.523 6.447 0.003 1.00 0.00 H new ATOM 0 HG SER A 78 91.439 5.729 0.762 1.00 0.00 H new ATOM 1290 N ALA A 79 94.189 3.610 -1.288 1.00 0.00 N ATOM 1291 CA ALA A 79 93.800 2.450 -2.142 1.00 0.00 C ATOM 1292 C ALA A 79 94.876 1.366 -2.048 1.00 0.00 C ATOM 1293 O ALA A 79 94.597 0.226 -1.734 1.00 0.00 O ATOM 1294 CB ALA A 79 93.665 2.907 -3.596 1.00 0.00 C ATOM 0 H ALA A 79 94.484 4.443 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 79 92.847 2.050 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.381 2.059 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.900 3.680 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.618 3.308 -3.941 1.00 0.00 H new ATOM 1300 N ILE A 80 96.105 1.714 -2.311 1.00 0.00 N ATOM 1301 CA ILE A 80 97.199 0.710 -2.228 1.00 0.00 C ATOM 1302 C ILE A 80 97.246 0.164 -0.803 1.00 0.00 C ATOM 1303 O ILE A 80 97.598 -0.977 -0.573 1.00 0.00 O ATOM 1304 CB ILE A 80 98.533 1.378 -2.563 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.501 1.889 -4.014 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.673 0.373 -2.375 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.891 0.771 -4.992 1.00 0.00 C ATOM 0 H ILE A 80 96.398 2.653 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 80 97.019 -0.100 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 80 98.698 2.223 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.503 2.257 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.185 2.730 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.623 0.851 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.690 0.031 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.519 -0.480 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.862 1.154 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.898 0.423 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.190 -0.058 -4.895 1.00 0.00 H new ATOM 1319 N ASN A 81 96.877 0.969 0.157 1.00 0.00 N ATOM 1320 CA ASN A 81 96.882 0.493 1.565 1.00 0.00 C ATOM 1321 C ASN A 81 95.932 -0.698 1.670 1.00 0.00 C ATOM 1322 O ASN A 81 96.176 -1.642 2.393 1.00 0.00 O ATOM 1323 CB ASN A 81 96.410 1.617 2.491 1.00 0.00 C ATOM 1324 CG ASN A 81 96.105 1.042 3.876 1.00 0.00 C ATOM 1325 OD1 ASN A 81 96.931 1.094 4.764 1.00 0.00 O ATOM 1326 ND2 ASN A 81 94.942 0.493 4.098 1.00 0.00 N ATOM 0 H ASN A 81 96.573 1.934 0.025 1.00 0.00 H new ATOM 0 HA ASN A 81 97.889 0.197 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.178 2.387 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.520 2.093 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.727 0.108 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.248 0.449 3.352 1.00 0.00 H new ATOM 1333 N ASN A 82 94.855 -0.665 0.935 1.00 0.00 N ATOM 1334 CA ASN A 82 93.897 -1.801 0.971 1.00 0.00 C ATOM 1335 C ASN A 82 94.643 -3.078 0.585 1.00 0.00 C ATOM 1336 O ASN A 82 94.355 -4.150 1.075 1.00 0.00 O ATOM 1337 CB ASN A 82 92.762 -1.547 -0.024 1.00 0.00 C ATOM 1338 CG ASN A 82 91.489 -1.172 0.735 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.152 -1.792 1.725 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.761 -0.175 0.312 1.00 0.00 N ATOM 0 H ASN A 82 94.598 0.100 0.312 1.00 0.00 H new ATOM 0 HA ASN A 82 93.475 -1.903 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.038 -0.746 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.588 -2.437 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.910 0.083 0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.043 0.346 -0.518 1.00 0.00 H new ATOM 1347 N TYR A 83 95.608 -2.968 -0.289 1.00 0.00 N ATOM 1348 CA TYR A 83 96.379 -4.179 -0.697 1.00 0.00 C ATOM 1349 C TYR A 83 97.411 -4.505 0.387 1.00 0.00 C ATOM 1350 O TYR A 83 97.301 -5.495 1.082 1.00 0.00 O ATOM 1351 CB TYR A 83 97.090 -3.909 -2.030 1.00 0.00 C ATOM 1352 CG TYR A 83 97.969 -5.087 -2.409 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.887 -6.300 -1.708 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.876 -4.958 -3.470 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.708 -7.373 -2.069 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.693 -6.033 -3.830 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.610 -7.241 -3.130 1.00 0.00 C ATOM 1358 OH TYR A 83 100.416 -8.300 -3.485 1.00 0.00 O ATOM 0 H TYR A 83 95.895 -2.097 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 83 95.702 -5.024 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.353 -3.730 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.695 -3.006 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.190 -6.405 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.944 -4.025 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.646 -8.305 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.389 -5.931 -4.649 1.00 0.00 H new ATOM 0 HH TYR A 83 101.058 -8.478 -2.766 1.00 0.00 H new ATOM 1368 N ALA A 84 98.414 -3.685 0.535 1.00 0.00 N ATOM 1369 CA ALA A 84 99.448 -3.956 1.574 1.00 0.00 C ATOM 1370 C ALA A 84 98.776 -4.141 2.936 1.00 0.00 C ATOM 1371 O ALA A 84 98.850 -5.191 3.540 1.00 0.00 O ATOM 1372 CB ALA A 84 100.422 -2.778 1.643 1.00 0.00 C ATOM 0 H ALA A 84 98.563 -2.840 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 84 99.991 -4.865 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.178 -2.975 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.905 -2.648 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.877 -1.870 1.901 1.00 0.00 H new ATOM 1378 N GLN A 85 98.128 -3.123 3.421 1.00 0.00 N ATOM 1379 CA GLN A 85 97.452 -3.224 4.748 1.00 0.00 C ATOM 1380 C GLN A 85 96.660 -4.531 4.836 1.00 0.00 C ATOM 1381 O GLN A 85 96.404 -5.037 5.910 1.00 0.00 O ATOM 1382 CB GLN A 85 96.498 -2.042 4.925 1.00 0.00 C ATOM 1383 CG GLN A 85 96.317 -1.750 6.417 1.00 0.00 C ATOM 1384 CD GLN A 85 97.256 -0.618 6.834 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.818 0.394 7.345 1.00 0.00 O ATOM 1386 NE2 GLN A 85 98.540 -0.747 6.637 1.00 0.00 N ATOM 0 H GLN A 85 98.035 -2.220 2.956 1.00 0.00 H new ATOM 0 HA GLN A 85 98.207 -3.209 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.894 -1.163 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.534 -2.267 4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.283 -1.472 6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.528 -2.645 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 85 98.907 -1.596 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 85 99.176 0.002 6.912 1.00 0.00 H new ATOM 1395 N LYS A 86 96.269 -5.084 3.720 1.00 0.00 N ATOM 1396 CA LYS A 86 95.496 -6.358 3.758 1.00 0.00 C ATOM 1397 C LYS A 86 96.464 -7.543 3.734 1.00 0.00 C ATOM 1398 O LYS A 86 96.171 -8.587 3.185 1.00 0.00 O ATOM 1399 CB LYS A 86 94.564 -6.431 2.547 1.00 0.00 C ATOM 1400 CG LYS A 86 93.711 -7.697 2.632 1.00 0.00 C ATOM 1401 CD LYS A 86 92.256 -7.353 2.306 1.00 0.00 C ATOM 1402 CE LYS A 86 91.683 -8.405 1.356 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.737 -7.892 -0.042 1.00 0.00 N ATOM 0 H LYS A 86 96.450 -4.711 2.788 1.00 0.00 H new ATOM 0 HA LYS A 86 94.902 -6.394 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.923 -5.550 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.147 -6.434 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.084 -8.447 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.779 -8.128 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.666 -7.315 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.199 -6.365 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.251 -9.332 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.654 -8.637 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.347 -8.607 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.177 -7.019 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.724 -7.692 -0.301 1.00 0.00 H new ATOM 1417 N LEU A 87 97.613 -7.392 4.334 1.00 0.00 N ATOM 1418 CA LEU A 87 98.600 -8.507 4.355 1.00 0.00 C ATOM 1419 C LEU A 87 99.275 -8.550 5.726 1.00 0.00 C ATOM 1420 O LEU A 87 100.417 -8.944 5.855 1.00 0.00 O ATOM 1421 CB LEU A 87 99.661 -8.281 3.276 1.00 0.00 C ATOM 1422 CG LEU A 87 99.036 -8.466 1.894 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.683 -7.490 0.910 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.274 -9.900 1.414 1.00 0.00 C ATOM 0 H LEU A 87 97.911 -6.542 4.812 1.00 0.00 H new ATOM 0 HA LEU A 87 98.087 -9.449 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.078 -7.278 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.485 -8.982 3.410 1.00 0.00 H new ATOM 0 HG LEU A 87 97.965 -8.273 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.239 -7.620 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.518 -6.468 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.754 -7.686 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.828 -10.032 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.346 -10.091 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.818 -10.599 2.115 1.00 0.00 H new ATOM 1436 N CYS A 88 98.580 -8.139 6.750 1.00 0.00 N ATOM 1437 CA CYS A 88 99.183 -8.150 8.111 1.00 0.00 C ATOM 1438 C CYS A 88 98.415 -9.125 9.008 1.00 0.00 C ATOM 1439 O CYS A 88 98.732 -9.294 10.169 1.00 0.00 O ATOM 1440 CB CYS A 88 99.115 -6.742 8.707 1.00 0.00 C ATOM 1441 SG CYS A 88 100.295 -6.606 10.073 1.00 0.00 S ATOM 0 H CYS A 88 97.621 -7.796 6.703 1.00 0.00 H new ATOM 0 HA CYS A 88 100.223 -8.468 8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.342 -6.000 7.941 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.106 -6.535 9.062 1.00 0.00 H new ATOM 0 HG CYS A 88 100.509 -7.784 10.581 1.00 0.00 H new ATOM 1447 N THR A 89 97.409 -9.771 8.481 1.00 0.00 N ATOM 1448 CA THR A 89 96.630 -10.736 9.313 1.00 0.00 C ATOM 1449 C THR A 89 97.535 -11.898 9.737 1.00 0.00 C ATOM 1450 O THR A 89 97.168 -12.709 10.563 1.00 0.00 O ATOM 1451 CB THR A 89 95.439 -11.276 8.515 1.00 0.00 C ATOM 1452 OG1 THR A 89 94.998 -12.496 9.094 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.853 -11.520 7.066 1.00 0.00 C ATOM 0 H THR A 89 97.094 -9.674 7.516 1.00 0.00 H new ATOM 0 HA THR A 89 96.260 -10.222 10.200 1.00 0.00 H new ATOM 0 HB THR A 89 94.630 -10.546 8.538 1.00 0.00 H new ATOM 0 HG1 THR A 89 95.449 -12.632 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.002 -11.904 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.189 -10.583 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 89 96.664 -12.247 7.037 1.00 0.00 H new ATOM 1461 N PHE A 90 98.717 -11.981 9.188 1.00 0.00 N ATOM 1462 CA PHE A 90 99.640 -13.087 9.577 1.00 0.00 C ATOM 1463 C PHE A 90 100.698 -12.536 10.533 1.00 0.00 C ATOM 1464 O PHE A 90 100.740 -12.884 11.697 1.00 0.00 O ATOM 1465 CB PHE A 90 100.331 -13.685 8.339 1.00 0.00 C ATOM 1466 CG PHE A 90 100.114 -12.810 7.121 1.00 0.00 C ATOM 1467 CD1 PHE A 90 98.823 -12.619 6.613 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.208 -12.200 6.496 1.00 0.00 C ATOM 1469 CE1 PHE A 90 98.627 -11.819 5.480 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.011 -11.397 5.364 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.721 -11.209 4.856 1.00 0.00 C ATOM 0 H PHE A 90 99.083 -11.334 8.490 1.00 0.00 H new ATOM 0 HA PHE A 90 99.063 -13.874 10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.399 -13.791 8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.941 -14.685 8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 90 97.978 -13.089 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.204 -12.348 6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 90 97.631 -11.673 5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 90 101.855 -10.924 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.569 -10.593 3.982 1.00 0.00 H new ATOM 1481 N SER A 91 101.547 -11.667 10.055 1.00 0.00 N ATOM 1482 CA SER A 91 102.595 -11.080 10.937 1.00 0.00 C ATOM 1483 C SER A 91 102.361 -9.572 11.042 1.00 0.00 C ATOM 1484 O SER A 91 101.252 -9.098 10.899 1.00 0.00 O ATOM 1485 CB SER A 91 103.976 -11.342 10.336 1.00 0.00 C ATOM 1486 OG SER A 91 104.960 -11.226 11.355 1.00 0.00 O ATOM 0 H SER A 91 101.560 -11.338 9.090 1.00 0.00 H new ATOM 0 HA SER A 91 102.544 -11.534 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.010 -12.337 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.178 -10.630 9.536 1.00 0.00 H new ATOM 0 HG SER A 91 105.847 -11.395 10.974 1.00 0.00 H new ATOM 1492 N PHE A 92 103.392 -8.809 11.282 1.00 0.00 N ATOM 1493 CA PHE A 92 103.207 -7.335 11.384 1.00 0.00 C ATOM 1494 C PHE A 92 103.348 -6.717 9.987 1.00 0.00 C ATOM 1495 O PHE A 92 103.855 -7.337 9.074 1.00 0.00 O ATOM 1496 CB PHE A 92 104.254 -6.749 12.355 1.00 0.00 C ATOM 1497 CG PHE A 92 105.491 -6.296 11.607 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.466 -5.102 10.876 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.660 -7.065 11.648 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.608 -4.679 10.187 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.802 -6.641 10.960 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.776 -5.448 10.229 1.00 0.00 C ATOM 0 H PHE A 92 104.348 -9.140 11.411 1.00 0.00 H new ATOM 0 HA PHE A 92 102.215 -7.105 11.772 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.823 -5.907 12.896 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.527 -7.499 13.097 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.565 -4.507 10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.680 -7.986 12.211 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.588 -3.758 9.623 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.704 -7.234 10.993 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.657 -5.121 9.697 1.00 0.00 H new ATOM 1512 N LEU A 93 102.907 -5.502 9.814 1.00 0.00 N ATOM 1513 CA LEU A 93 103.022 -4.857 8.476 1.00 0.00 C ATOM 1514 C LEU A 93 103.044 -3.338 8.638 1.00 0.00 C ATOM 1515 O LEU A 93 102.254 -2.769 9.365 1.00 0.00 O ATOM 1516 CB LEU A 93 101.830 -5.257 7.607 1.00 0.00 C ATOM 1517 CG LEU A 93 101.917 -4.532 6.262 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.575 -5.505 5.133 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.928 -3.365 6.246 1.00 0.00 C ATOM 0 H LEU A 93 102.473 -4.929 10.538 1.00 0.00 H new ATOM 0 HA LEU A 93 103.945 -5.185 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.825 -6.336 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.897 -5.003 8.110 1.00 0.00 H new ATOM 0 HG LEU A 93 102.929 -4.153 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.637 -4.988 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.280 -6.336 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.563 -5.886 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.990 -2.849 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.916 -3.744 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.172 -2.670 7.049 1.00 0.00 H new ATOM 1531 N ILE A 94 103.938 -2.675 7.958 1.00 0.00 N ATOM 1532 CA ILE A 94 104.006 -1.192 8.066 1.00 0.00 C ATOM 1533 C ILE A 94 104.242 -0.600 6.677 1.00 0.00 C ATOM 1534 O ILE A 94 105.349 -0.254 6.320 1.00 0.00 O ATOM 1535 CB ILE A 94 105.158 -0.797 8.991 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.867 -1.295 10.409 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.299 0.727 9.006 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.142 -1.886 11.012 1.00 0.00 C ATOM 0 H ILE A 94 104.624 -3.097 7.332 1.00 0.00 H new ATOM 0 HA ILE A 94 103.070 -0.811 8.475 1.00 0.00 H new ATOM 0 HB ILE A 94 106.084 -1.245 8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.506 -0.473 11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.079 -2.048 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.120 1.010 9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.505 1.083 7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.373 1.175 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.936 -2.241 12.022 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.483 -2.719 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.917 -1.120 11.048 1.00 0.00 H new ATOM 1550 N CYS A 95 103.211 -0.482 5.888 1.00 0.00 N ATOM 1551 CA CYS A 95 103.382 0.087 4.523 1.00 0.00 C ATOM 1552 C CYS A 95 103.139 1.598 4.568 1.00 0.00 C ATOM 1553 O CYS A 95 102.339 2.083 5.343 1.00 0.00 O ATOM 1554 CB CYS A 95 102.378 -0.565 3.569 1.00 0.00 C ATOM 1555 SG CYS A 95 102.459 0.254 1.957 1.00 0.00 S ATOM 0 H CYS A 95 102.258 -0.755 6.129 1.00 0.00 H new ATOM 0 HA CYS A 95 104.395 -0.108 4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.599 -1.627 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.370 -0.489 3.977 1.00 0.00 H new ATOM 0 HG CYS A 95 101.608 -0.300 1.145 1.00 0.00 H new ATOM 1561 N LYS A 96 103.823 2.346 3.745 1.00 0.00 N ATOM 1562 CA LYS A 96 103.627 3.824 3.747 1.00 0.00 C ATOM 1563 C LYS A 96 103.951 4.388 2.361 1.00 0.00 C ATOM 1564 O LYS A 96 104.514 3.712 1.523 1.00 0.00 O ATOM 1565 CB LYS A 96 104.553 4.459 4.788 1.00 0.00 C ATOM 1566 CG LYS A 96 103.848 5.652 5.438 1.00 0.00 C ATOM 1567 CD LYS A 96 103.727 5.416 6.946 1.00 0.00 C ATOM 1568 CE LYS A 96 104.707 6.330 7.686 1.00 0.00 C ATOM 1569 NZ LYS A 96 104.321 6.411 9.124 1.00 0.00 N ATOM 0 H LYS A 96 104.507 1.999 3.073 1.00 0.00 H new ATOM 0 HA LYS A 96 102.590 4.052 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.822 3.724 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.480 4.784 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 96 104.408 6.567 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.859 5.786 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.707 5.616 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.939 4.373 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 96 105.722 5.945 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.701 7.325 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 104.955 7.071 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 103.341 6.749 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 104.397 5.469 9.558 1.00 0.00 H new ATOM 1583 N GLY A 97 103.598 5.619 2.113 1.00 0.00 N ATOM 1584 CA GLY A 97 103.884 6.225 0.780 1.00 0.00 C ATOM 1585 C GLY A 97 105.156 7.072 0.861 1.00 0.00 C ATOM 1586 O GLY A 97 105.518 7.566 1.910 1.00 0.00 O ATOM 0 H GLY A 97 103.124 6.233 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 97 104.004 5.442 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.044 6.843 0.463 1.00 0.00 H new ATOM 1590 N VAL A 98 105.839 7.240 -0.239 1.00 0.00 N ATOM 1591 CA VAL A 98 107.090 8.052 -0.227 1.00 0.00 C ATOM 1592 C VAL A 98 107.025 9.111 -1.329 1.00 0.00 C ATOM 1593 O VAL A 98 106.327 8.955 -2.311 1.00 0.00 O ATOM 1594 CB VAL A 98 108.285 7.133 -0.478 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.568 7.813 0.001 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.084 5.825 0.287 1.00 0.00 C ATOM 0 H VAL A 98 105.585 6.850 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 98 107.198 8.543 0.740 1.00 0.00 H new ATOM 0 HB VAL A 98 108.366 6.925 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.418 7.155 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.710 8.747 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.492 8.023 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.934 5.166 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.003 6.036 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.171 5.339 -0.057 1.00 0.00 H new ATOM 1606 N ASN A 99 107.752 10.184 -1.177 1.00 0.00 N ATOM 1607 CA ASN A 99 107.734 11.248 -2.220 1.00 0.00 C ATOM 1608 C ASN A 99 108.875 11.008 -3.210 1.00 0.00 C ATOM 1609 O ASN A 99 108.955 11.642 -4.243 1.00 0.00 O ATOM 1610 CB ASN A 99 107.912 12.616 -1.559 1.00 0.00 C ATOM 1611 CG ASN A 99 106.856 12.798 -0.467 1.00 0.00 C ATOM 1612 OD1 ASN A 99 107.178 13.125 0.657 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.599 12.597 -0.754 1.00 0.00 N ATOM 0 H ASN A 99 108.357 10.370 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 99 106.781 11.223 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.911 12.697 -1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.820 13.406 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.886 12.715 -0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.329 12.322 -1.699 1.00 0.00 H new ATOM 1620 N LYS A 100 109.762 10.099 -2.905 1.00 0.00 N ATOM 1621 CA LYS A 100 110.894 9.828 -3.835 1.00 0.00 C ATOM 1622 C LYS A 100 111.491 8.447 -3.544 1.00 0.00 C ATOM 1623 O LYS A 100 112.263 8.274 -2.621 1.00 0.00 O ATOM 1624 CB LYS A 100 111.974 10.896 -3.647 1.00 0.00 C ATOM 1625 CG LYS A 100 112.147 11.681 -4.949 1.00 0.00 C ATOM 1626 CD LYS A 100 113.510 11.356 -5.564 1.00 0.00 C ATOM 1627 CE LYS A 100 113.484 11.673 -7.060 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.878 11.866 -7.552 1.00 0.00 N ATOM 0 H LYS A 100 109.751 9.535 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 100 110.527 9.852 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.696 11.571 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.917 10.429 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.351 11.426 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.070 12.751 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 100 114.290 11.937 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.749 10.304 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.003 10.861 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.895 12.572 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.860 12.082 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 115.321 12.654 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 115.426 10.997 -7.392 1.00 0.00 H new ATOM 1642 N GLU A 101 111.146 7.465 -4.333 1.00 0.00 N ATOM 1643 CA GLU A 101 111.703 6.101 -4.110 1.00 0.00 C ATOM 1644 C GLU A 101 113.226 6.190 -4.077 1.00 0.00 C ATOM 1645 O GLU A 101 113.888 5.470 -3.358 1.00 0.00 O ATOM 1646 CB GLU A 101 111.287 5.183 -5.264 1.00 0.00 C ATOM 1647 CG GLU A 101 111.106 3.751 -4.752 1.00 0.00 C ATOM 1648 CD GLU A 101 109.982 3.704 -3.714 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.241 4.042 -2.571 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.882 3.321 -4.079 1.00 0.00 O ATOM 0 H GLU A 101 110.504 7.549 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 101 111.326 5.701 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.357 5.540 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 101 112.043 5.205 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.873 3.086 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.036 3.394 -4.309 1.00 0.00 H new ATOM 1657 N TYR A 102 113.786 7.064 -4.865 1.00 0.00 N ATOM 1658 CA TYR A 102 115.268 7.193 -4.897 1.00 0.00 C ATOM 1659 C TYR A 102 115.794 7.646 -3.535 1.00 0.00 C ATOM 1660 O TYR A 102 116.835 7.207 -3.093 1.00 0.00 O ATOM 1661 CB TYR A 102 115.677 8.206 -5.967 1.00 0.00 C ATOM 1662 CG TYR A 102 117.153 8.062 -6.218 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.063 8.742 -5.403 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.614 7.230 -7.247 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.436 8.592 -5.611 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.988 7.081 -7.458 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.901 7.759 -6.638 1.00 0.00 C ATOM 1668 OH TYR A 102 121.258 7.610 -6.844 1.00 0.00 O ATOM 0 H TYR A 102 113.281 7.694 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 102 115.697 6.220 -5.134 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.117 8.033 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.445 9.219 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.704 9.384 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.910 6.705 -7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.139 9.117 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.346 6.444 -8.253 1.00 0.00 H new ATOM 0 HH TYR A 102 121.410 6.998 -7.594 1.00 0.00 H new ATOM 1678 N LEU A 103 115.096 8.514 -2.863 1.00 0.00 N ATOM 1679 CA LEU A 103 115.581 8.969 -1.536 1.00 0.00 C ATOM 1680 C LEU A 103 115.559 7.799 -0.558 1.00 0.00 C ATOM 1681 O LEU A 103 116.509 7.559 0.155 1.00 0.00 O ATOM 1682 CB LEU A 103 114.688 10.089 -1.024 1.00 0.00 C ATOM 1683 CG LEU A 103 115.542 11.332 -0.809 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.453 11.116 0.396 1.00 0.00 C ATOM 1685 CD2 LEU A 103 116.404 11.590 -2.047 1.00 0.00 C ATOM 0 H LEU A 103 114.216 8.926 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 103 116.602 9.340 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 103 113.893 10.296 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.208 9.794 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 103 114.891 12.189 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.066 12.004 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.846 10.933 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.099 10.257 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.013 12.480 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.054 10.733 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 103 115.760 11.741 -2.914 1.00 0.00 H new ATOM 1697 N MET A 104 114.485 7.068 -0.524 1.00 0.00 N ATOM 1698 CA MET A 104 114.404 5.907 0.406 1.00 0.00 C ATOM 1699 C MET A 104 115.471 4.873 0.034 1.00 0.00 C ATOM 1700 O MET A 104 116.414 4.644 0.764 1.00 0.00 O ATOM 1701 CB MET A 104 113.022 5.265 0.292 1.00 0.00 C ATOM 1702 CG MET A 104 111.945 6.315 0.568 1.00 0.00 C ATOM 1703 SD MET A 104 112.057 6.860 2.290 1.00 0.00 S ATOM 1704 CE MET A 104 112.090 5.217 3.044 1.00 0.00 C ATOM 0 H MET A 104 113.657 7.222 -1.100 1.00 0.00 H new ATOM 0 HA MET A 104 114.570 6.250 1.427 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.887 4.844 -0.704 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.932 4.442 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.071 7.165 -0.102 1.00 0.00 H new ATOM 0 HG3 MET A 104 110.957 5.898 0.371 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.670 5.269 4.048 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.501 4.527 2.439 1.00 0.00 H new ATOM 0 HE3 MET A 104 113.119 4.863 3.099 1.00 0.00 H new ATOM 1714 N TYR A 105 115.318 4.244 -1.097 1.00 0.00 N ATOM 1715 CA TYR A 105 116.303 3.213 -1.534 1.00 0.00 C ATOM 1716 C TYR A 105 117.734 3.708 -1.308 1.00 0.00 C ATOM 1717 O TYR A 105 118.584 2.970 -0.853 1.00 0.00 O ATOM 1718 CB TYR A 105 116.082 2.916 -3.017 1.00 0.00 C ATOM 1719 CG TYR A 105 117.180 2.017 -3.528 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.459 2.534 -3.765 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.916 0.664 -3.769 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.473 1.699 -4.242 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.930 -0.171 -4.246 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.210 0.345 -4.483 1.00 0.00 C ATOM 1725 OH TYR A 105 120.211 -0.479 -4.954 1.00 0.00 O ATOM 0 H TYR A 105 114.546 4.401 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 105 116.160 2.305 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.113 2.439 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.067 3.846 -3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.662 3.578 -3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.929 0.265 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.460 2.098 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.726 -1.215 -4.432 1.00 0.00 H new ATOM 0 HH TYR A 105 119.861 -1.388 -5.066 1.00 0.00 H new ATOM 1735 N SER A 106 118.011 4.943 -1.615 1.00 0.00 N ATOM 1736 CA SER A 106 119.392 5.461 -1.402 1.00 0.00 C ATOM 1737 C SER A 106 119.728 5.372 0.087 1.00 0.00 C ATOM 1738 O SER A 106 120.774 4.886 0.477 1.00 0.00 O ATOM 1739 CB SER A 106 119.469 6.919 -1.859 1.00 0.00 C ATOM 1740 OG SER A 106 119.700 6.960 -3.261 1.00 0.00 O ATOM 0 H SER A 106 117.347 5.613 -2.002 1.00 0.00 H new ATOM 0 HA SER A 106 120.103 4.869 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.542 7.438 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.271 7.436 -1.331 1.00 0.00 H new ATOM 0 HG SER A 106 119.302 7.774 -3.635 1.00 0.00 H new ATOM 1746 N ALA A 107 118.837 5.827 0.922 1.00 0.00 N ATOM 1747 CA ALA A 107 119.084 5.765 2.386 1.00 0.00 C ATOM 1748 C ALA A 107 119.079 4.300 2.831 1.00 0.00 C ATOM 1749 O ALA A 107 119.467 3.974 3.935 1.00 0.00 O ATOM 1750 CB ALA A 107 117.981 6.532 3.120 1.00 0.00 C ATOM 0 H ALA A 107 117.945 6.241 0.651 1.00 0.00 H new ATOM 0 HA ALA A 107 120.049 6.214 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.160 6.488 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 107 117.983 7.572 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.014 6.083 2.895 1.00 0.00 H new ATOM 1756 N LEU A 108 118.642 3.414 1.975 1.00 0.00 N ATOM 1757 CA LEU A 108 118.612 1.969 2.339 1.00 0.00 C ATOM 1758 C LEU A 108 119.947 1.320 1.966 1.00 0.00 C ATOM 1759 O LEU A 108 120.400 0.397 2.612 1.00 0.00 O ATOM 1760 CB LEU A 108 117.486 1.268 1.570 1.00 0.00 C ATOM 1761 CG LEU A 108 116.226 1.183 2.435 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.200 0.289 1.743 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.571 0.583 3.799 1.00 0.00 C ATOM 0 H LEU A 108 118.304 3.631 1.037 1.00 0.00 H new ATOM 0 HA LEU A 108 118.441 1.873 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.269 1.814 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.804 0.267 1.279 1.00 0.00 H new ATOM 0 HG LEU A 108 115.817 2.184 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.301 0.226 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.947 0.711 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.618 -0.708 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.670 0.525 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.982 -0.417 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.308 1.213 4.298 1.00 0.00 H new ATOM 1775 N THR A 109 120.579 1.793 0.925 1.00 0.00 N ATOM 1776 CA THR A 109 121.882 1.196 0.512 1.00 0.00 C ATOM 1777 C THR A 109 122.990 1.737 1.414 1.00 0.00 C ATOM 1778 O THR A 109 124.023 1.118 1.584 1.00 0.00 O ATOM 1779 CB THR A 109 122.181 1.567 -0.942 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.574 2.931 -1.010 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.930 1.350 -1.796 1.00 0.00 C ATOM 0 H THR A 109 120.250 2.565 0.344 1.00 0.00 H new ATOM 0 HA THR A 109 121.831 0.111 0.602 1.00 0.00 H new ATOM 0 HB THR A 109 122.987 0.937 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.947 3.478 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 109 121.146 1.615 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.631 0.303 -1.744 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.121 1.977 -1.422 1.00 0.00 H new ATOM 1789 N ARG A 110 122.785 2.884 1.999 1.00 0.00 N ATOM 1790 CA ARG A 110 123.828 3.453 2.897 1.00 0.00 C ATOM 1791 C ARG A 110 123.722 2.784 4.267 1.00 0.00 C ATOM 1792 O ARG A 110 122.701 2.856 4.923 1.00 0.00 O ATOM 1793 CB ARG A 110 123.614 4.960 3.045 1.00 0.00 C ATOM 1794 CG ARG A 110 124.896 5.698 2.655 1.00 0.00 C ATOM 1795 CD ARG A 110 124.936 7.060 3.352 1.00 0.00 C ATOM 1796 NE ARG A 110 124.663 8.135 2.357 1.00 0.00 N ATOM 1797 CZ ARG A 110 125.021 9.364 2.610 1.00 0.00 C ATOM 1798 NH1 ARG A 110 124.753 9.898 3.769 1.00 0.00 N ATOM 1799 NH2 ARG A 110 125.647 10.061 1.700 1.00 0.00 N ATOM 0 H ARG A 110 121.943 3.450 1.895 1.00 0.00 H new ATOM 0 HA ARG A 110 124.816 3.273 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.788 5.285 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.342 5.200 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.768 5.108 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 110 124.937 5.830 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.196 7.093 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.911 7.216 3.814 1.00 0.00 H new ATOM 0 HE ARG A 110 124.196 7.910 1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.263 9.355 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 110 125.034 10.859 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.856 9.645 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 110 125.927 11.022 1.897 1.00 0.00 H new ATOM 1813 N ASP A 111 124.764 2.130 4.702 1.00 0.00 N ATOM 1814 CA ASP A 111 124.719 1.453 6.029 1.00 0.00 C ATOM 1815 C ASP A 111 124.034 2.368 7.046 1.00 0.00 C ATOM 1816 O ASP A 111 123.968 3.566 6.853 1.00 0.00 O ATOM 1817 CB ASP A 111 126.144 1.149 6.495 1.00 0.00 C ATOM 1818 CG ASP A 111 126.495 -0.299 6.156 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.327 -0.675 5.007 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.925 -1.009 7.050 1.00 0.00 O ATOM 0 H ASP A 111 125.645 2.035 4.196 1.00 0.00 H new ATOM 0 HA ASP A 111 124.158 0.522 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.848 1.827 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.229 1.313 7.569 1.00 0.00 H new ATOM 1825 N PRO A 112 123.544 1.774 8.103 1.00 0.00 N ATOM 1826 CA PRO A 112 123.631 0.318 8.326 1.00 0.00 C ATOM 1827 C PRO A 112 122.555 -0.429 7.522 1.00 0.00 C ATOM 1828 O PRO A 112 122.283 -1.586 7.771 1.00 0.00 O ATOM 1829 CB PRO A 112 123.374 0.174 9.828 1.00 0.00 C ATOM 1830 CG PRO A 112 122.605 1.446 10.264 1.00 0.00 C ATOM 1831 CD PRO A 112 122.865 2.512 9.184 1.00 0.00 C ATOM 0 HA PRO A 112 124.586 -0.101 8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.792 -0.723 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.312 0.080 10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.538 1.241 10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.949 1.791 11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.935 2.961 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.487 3.322 9.565 1.00 0.00 H new ATOM 1839 N PHE A 113 121.941 0.216 6.566 1.00 0.00 N ATOM 1840 CA PHE A 113 120.890 -0.477 5.764 1.00 0.00 C ATOM 1841 C PHE A 113 121.543 -1.223 4.600 1.00 0.00 C ATOM 1842 O PHE A 113 122.165 -0.633 3.739 1.00 0.00 O ATOM 1843 CB PHE A 113 119.895 0.556 5.223 1.00 0.00 C ATOM 1844 CG PHE A 113 118.991 1.055 6.336 1.00 0.00 C ATOM 1845 CD1 PHE A 113 119.054 0.487 7.617 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.087 2.094 6.083 1.00 0.00 C ATOM 1847 CE1 PHE A 113 118.222 0.956 8.634 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.252 2.563 7.103 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.319 1.996 8.380 1.00 0.00 C ATOM 0 H PHE A 113 122.120 1.186 6.307 1.00 0.00 H new ATOM 0 HA PHE A 113 120.361 -1.190 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.435 1.394 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.294 0.111 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 113 119.749 -0.316 7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.034 2.534 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 113 118.274 0.516 9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 113 116.555 3.364 6.904 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.676 2.359 9.168 1.00 0.00 H new ATOM 1859 N SER A 114 121.408 -2.522 4.569 1.00 0.00 N ATOM 1860 CA SER A 114 122.020 -3.314 3.465 1.00 0.00 C ATOM 1861 C SER A 114 121.018 -3.450 2.318 1.00 0.00 C ATOM 1862 O SER A 114 119.988 -2.807 2.298 1.00 0.00 O ATOM 1863 CB SER A 114 122.394 -4.705 3.980 1.00 0.00 C ATOM 1864 OG SER A 114 123.604 -5.123 3.364 1.00 0.00 O ATOM 0 H SER A 114 120.899 -3.069 5.263 1.00 0.00 H new ATOM 0 HA SER A 114 122.915 -2.805 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.512 -4.685 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.596 -5.414 3.759 1.00 0.00 H new ATOM 0 HG SER A 114 123.848 -6.013 3.693 1.00 0.00 H new ATOM 1870 N VAL A 115 121.315 -4.285 1.361 1.00 0.00 N ATOM 1871 CA VAL A 115 120.385 -4.464 0.213 1.00 0.00 C ATOM 1872 C VAL A 115 120.043 -5.948 0.062 1.00 0.00 C ATOM 1873 O VAL A 115 120.733 -6.808 0.570 1.00 0.00 O ATOM 1874 CB VAL A 115 121.057 -3.958 -1.063 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.092 -4.100 -2.239 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.435 -2.486 -0.889 1.00 0.00 C ATOM 0 H VAL A 115 122.163 -4.851 1.325 1.00 0.00 H new ATOM 0 HA VAL A 115 119.469 -3.900 0.390 1.00 0.00 H new ATOM 0 HB VAL A 115 121.955 -4.544 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.572 -3.739 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.821 -5.149 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.194 -3.514 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.914 -2.124 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.537 -1.900 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 115 122.124 -2.384 -0.050 1.00 0.00 H new ATOM 1886 N ILE A 116 118.981 -6.257 -0.633 1.00 0.00 N ATOM 1887 CA ILE A 116 118.598 -7.687 -0.812 1.00 0.00 C ATOM 1888 C ILE A 116 118.475 -8.007 -2.304 1.00 0.00 C ATOM 1889 O ILE A 116 119.214 -8.808 -2.838 1.00 0.00 O ATOM 1890 CB ILE A 116 117.257 -7.946 -0.124 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.393 -7.680 1.375 1.00 0.00 C ATOM 1892 CG2 ILE A 116 116.841 -9.401 -0.346 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.146 -8.188 2.101 1.00 0.00 C ATOM 0 H ILE A 116 118.363 -5.582 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 116 119.365 -8.323 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 116 116.501 -7.283 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.281 -8.178 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.522 -6.613 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 116 115.885 -9.585 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 116 116.743 -9.592 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.598 -10.064 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.244 -7.998 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.266 -7.670 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.038 -9.259 1.932 1.00 0.00 H new ATOM 1905 N GLU A 117 117.545 -7.389 -2.980 1.00 0.00 N ATOM 1906 CA GLU A 117 117.376 -7.664 -4.436 1.00 0.00 C ATOM 1907 C GLU A 117 116.626 -6.502 -5.094 1.00 0.00 C ATOM 1908 O GLU A 117 116.361 -5.492 -4.475 1.00 0.00 O ATOM 1909 CB GLU A 117 116.576 -8.956 -4.618 1.00 0.00 C ATOM 1910 CG GLU A 117 117.476 -10.038 -5.218 1.00 0.00 C ATOM 1911 CD GLU A 117 116.620 -11.038 -5.999 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.467 -10.731 -6.250 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.134 -12.094 -6.331 1.00 0.00 O ATOM 0 H GLU A 117 116.896 -6.707 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 117 118.355 -7.772 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.181 -9.289 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.721 -8.777 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.217 -9.585 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.023 -10.551 -4.427 1.00 0.00 H new ATOM 1920 N GLU A 118 116.284 -6.641 -6.346 1.00 0.00 N ATOM 1921 CA GLU A 118 115.550 -5.547 -7.046 1.00 0.00 C ATOM 1922 C GLU A 118 115.267 -5.972 -8.488 1.00 0.00 C ATOM 1923 O GLU A 118 115.853 -6.906 -8.996 1.00 0.00 O ATOM 1924 CB GLU A 118 116.401 -4.275 -7.045 1.00 0.00 C ATOM 1925 CG GLU A 118 117.881 -4.649 -7.130 1.00 0.00 C ATOM 1926 CD GLU A 118 118.086 -5.667 -8.254 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.667 -5.386 -9.365 1.00 0.00 O ATOM 1928 OE2 GLU A 118 118.660 -6.710 -7.986 1.00 0.00 O ATOM 0 H GLU A 118 116.481 -7.464 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 118 114.610 -5.351 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.127 -3.641 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.212 -3.700 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.482 -3.759 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.217 -5.067 -6.181 1.00 0.00 H new ATOM 1935 N SER A 119 114.372 -5.293 -9.153 1.00 0.00 N ATOM 1936 CA SER A 119 114.054 -5.662 -10.562 1.00 0.00 C ATOM 1937 C SER A 119 114.846 -4.764 -11.514 1.00 0.00 C ATOM 1938 O SER A 119 115.098 -5.117 -12.649 1.00 0.00 O ATOM 1939 CB SER A 119 112.557 -5.474 -10.814 1.00 0.00 C ATOM 1940 OG SER A 119 112.218 -4.105 -10.629 1.00 0.00 O ATOM 0 H SER A 119 113.848 -4.500 -8.782 1.00 0.00 H new ATOM 0 HA SER A 119 114.323 -6.704 -10.734 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.304 -5.790 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 119 111.980 -6.099 -10.132 1.00 0.00 H new ATOM 0 HG SER A 119 111.303 -3.949 -10.943 1.00 0.00 H new ATOM 1946 N LEU A 120 115.240 -3.606 -11.062 1.00 0.00 N ATOM 1947 CA LEU A 120 116.015 -2.689 -11.942 1.00 0.00 C ATOM 1948 C LEU A 120 117.490 -3.107 -11.942 1.00 0.00 C ATOM 1949 O LEU A 120 117.939 -3.781 -11.036 1.00 0.00 O ATOM 1950 CB LEU A 120 115.890 -1.254 -11.423 1.00 0.00 C ATOM 1951 CG LEU A 120 114.724 -0.554 -12.124 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.469 0.800 -11.459 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.068 -0.335 -13.599 1.00 0.00 C ATOM 0 H LEU A 120 115.059 -3.256 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 120 115.622 -2.742 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.729 -1.259 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.816 -0.709 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 120 113.831 -1.175 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.638 1.300 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.223 0.649 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.364 1.418 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.236 0.164 -14.096 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.961 0.285 -13.676 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.252 -1.297 -14.076 1.00 0.00 H new ATOM 1965 N PRO A 121 118.196 -2.691 -12.962 1.00 0.00 N ATOM 1966 CA PRO A 121 119.628 -3.006 -13.117 1.00 0.00 C ATOM 1967 C PRO A 121 120.473 -2.105 -12.212 1.00 0.00 C ATOM 1968 O PRO A 121 120.753 -0.969 -12.537 1.00 0.00 O ATOM 1969 CB PRO A 121 119.902 -2.708 -14.594 1.00 0.00 C ATOM 1970 CG PRO A 121 118.798 -1.724 -15.052 1.00 0.00 C ATOM 1971 CD PRO A 121 117.635 -1.870 -14.053 1.00 0.00 C ATOM 0 HA PRO A 121 119.875 -4.031 -12.841 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.892 -2.270 -14.725 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.877 -3.623 -15.186 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.172 -0.700 -15.064 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.469 -1.955 -16.065 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.299 -0.899 -13.689 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.773 -2.354 -14.513 1.00 0.00 H new ATOM 1979 N GLY A 122 120.880 -2.605 -11.077 1.00 0.00 N ATOM 1980 CA GLY A 122 121.704 -1.778 -10.152 1.00 0.00 C ATOM 1981 C GLY A 122 120.789 -1.036 -9.176 1.00 0.00 C ATOM 1982 O GLY A 122 121.238 -0.453 -8.209 1.00 0.00 O ATOM 0 H GLY A 122 120.677 -3.550 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.400 -2.412 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.302 -1.065 -10.720 1.00 0.00 H new ATOM 1986 N GLY A 123 119.507 -1.052 -9.421 1.00 0.00 N ATOM 1987 CA GLY A 123 118.563 -0.349 -8.508 1.00 0.00 C ATOM 1988 C GLY A 123 118.199 1.015 -9.098 1.00 0.00 C ATOM 1989 O GLY A 123 118.476 1.300 -10.246 1.00 0.00 O ATOM 0 H GLY A 123 119.073 -1.522 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.663 -0.948 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.018 -0.222 -7.526 1.00 0.00 H new ATOM 1993 N LEU A 124 117.578 1.861 -8.322 1.00 0.00 N ATOM 1994 CA LEU A 124 117.195 3.205 -8.838 1.00 0.00 C ATOM 1995 C LEU A 124 118.445 3.931 -9.359 1.00 0.00 C ATOM 1996 O LEU A 124 119.554 3.466 -9.187 1.00 0.00 O ATOM 1997 CB LEU A 124 116.551 4.010 -7.717 1.00 0.00 C ATOM 1998 CG LEU A 124 115.122 4.390 -8.115 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.139 3.307 -7.669 1.00 0.00 C ATOM 2000 CD2 LEU A 124 114.743 5.701 -7.437 1.00 0.00 C ATOM 0 H LEU A 124 117.319 1.679 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 124 116.483 3.096 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.540 3.427 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 124 117.135 4.908 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 124 115.077 4.495 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.128 3.592 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.400 2.361 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.188 3.195 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.726 5.975 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 124 114.801 5.581 -6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 124 115.431 6.486 -7.752 1.00 0.00 H new