USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 80 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.272 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.000591 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.51 K(o=-1.7,f=-4.4!) USER MOD Set 3.2: A 27 GLN : amide:sc= -1.16 K(o=-1.7,f=-8.5!) USER MOD Single : A 6 SER OG : rot 170:sc= -0.0253 USER MOD Single : A 10 LYS NZ :NH3+ 167:sc=-0.00226 (180deg=-0.128) USER MOD Single : A 12 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.2) USER MOD Single : A 14 MET CE :methyl -175:sc= -2.18 (180deg=-2.25!) USER MOD Single : A 16 SER OG : rot -64:sc= 0.0797 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.435 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0579) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.611 USER MOD Single : A 36 ASN : amide:sc= -1.35 K(o=-1.3,f=-7.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00206 X(o=-0.0021,f=-0.27) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 151:sc= -0.218 (180deg=-0.992) USER MOD Single : A 54 SER OG : rot 85:sc= 0.577 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 87:sc= 0.191 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 78 CYS SG : rot -34:sc= -0.307 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 0.097 -11.912 -2.810 1.00 10.42 N ATOM 67 CA SER A 6 -0.873 -12.578 -1.948 1.00 13.32 C ATOM 68 C SER A 6 -0.646 -12.205 -0.486 1.00 1.55 C ATOM 69 O SER A 6 0.321 -12.644 0.135 1.00 70.20 O ATOM 70 CB SER A 6 -0.781 -14.095 -2.118 1.00 31.11 C ATOM 71 OG SER A 6 -1.822 -14.751 -1.417 1.00 12.30 O ATOM 0 HA SER A 6 -1.869 -12.246 -2.240 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.835 -14.349 -3.177 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.184 -14.447 -1.754 1.00 31.11 H new ATOM 0 HG SER A 6 -1.840 -15.698 -1.669 1.00 12.30 H new ATOM 77 N GLU A 7 -1.546 -11.390 0.056 1.00 25.12 N ATOM 78 CA GLU A 7 -1.445 -10.957 1.445 1.00 23.40 C ATOM 79 C GLU A 7 -1.281 -12.153 2.378 1.00 11.43 C ATOM 80 O GLU A 7 -0.523 -12.100 3.345 1.00 4.20 O ATOM 81 CB GLU A 7 -2.683 -10.151 1.843 1.00 61.41 C ATOM 82 CG GLU A 7 -3.991 -10.891 1.613 1.00 52.15 C ATOM 83 CD GLU A 7 -5.206 -10.017 1.855 1.00 32.24 C ATOM 84 OE1 GLU A 7 -5.336 -8.980 1.172 1.00 13.40 O ATOM 85 OE2 GLU A 7 -6.027 -10.371 2.728 1.00 63.30 O ATOM 0 H GLU A 7 -2.352 -11.017 -0.445 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.563 -10.323 1.537 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.608 -9.882 2.897 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.698 -9.220 1.277 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -4.016 -11.267 0.590 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -4.034 -11.758 2.272 1.00 52.15 H new ATOM 92 N GLU A 8 -2.000 -13.231 2.080 1.00 62.33 N ATOM 93 CA GLU A 8 -1.935 -14.440 2.893 1.00 22.01 C ATOM 94 C GLU A 8 -0.500 -14.950 2.997 1.00 45.53 C ATOM 95 O GLU A 8 -0.005 -15.219 4.092 1.00 0.33 O ATOM 96 CB GLU A 8 -2.833 -15.529 2.300 1.00 5.22 C ATOM 97 CG GLU A 8 -2.884 -16.797 3.134 1.00 4.01 C ATOM 98 CD GLU A 8 -3.455 -17.976 2.371 1.00 65.32 C ATOM 99 OE1 GLU A 8 -4.651 -17.929 2.014 1.00 20.33 O ATOM 100 OE2 GLU A 8 -2.705 -18.946 2.128 1.00 10.50 O ATOM 0 H GLU A 8 -2.633 -13.292 1.283 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.288 -14.193 3.894 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.843 -15.135 2.191 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.478 -15.776 1.300 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -1.879 -17.043 3.476 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.488 -16.618 4.023 1.00 4.01 H new ATOM 107 N ILE A 9 0.160 -15.080 1.852 1.00 60.43 N ATOM 108 CA ILE A 9 1.537 -15.556 1.814 1.00 52.14 C ATOM 109 C ILE A 9 2.501 -14.494 2.334 1.00 13.42 C ATOM 110 O ILE A 9 3.528 -14.811 2.932 1.00 51.22 O ATOM 111 CB ILE A 9 1.955 -15.958 0.387 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.856 -16.794 -0.272 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.267 -16.727 0.417 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.239 -17.327 -1.636 1.00 72.45 C ATOM 0 H ILE A 9 -0.236 -14.862 0.938 1.00 60.43 H new ATOM 0 HA ILE A 9 1.585 -16.434 2.459 1.00 52.14 H new ATOM 0 HB ILE A 9 2.100 -15.053 -0.203 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.607 -17.631 0.380 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.044 -16.186 -0.368 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.550 -17.004 -0.599 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.046 -16.101 0.852 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.147 -17.628 1.019 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.413 -17.910 -2.044 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.459 -16.494 -2.303 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.121 -17.961 -1.544 1.00 72.45 H new ATOM 126 N LYS A 10 2.160 -13.231 2.102 1.00 24.45 N ATOM 127 CA LYS A 10 2.991 -12.119 2.549 1.00 53.51 C ATOM 128 C LYS A 10 3.335 -12.258 4.029 1.00 24.33 C ATOM 129 O LYS A 10 4.465 -11.996 4.441 1.00 33.51 O ATOM 130 CB LYS A 10 2.277 -10.789 2.302 1.00 74.03 C ATOM 131 CG LYS A 10 3.223 -9.626 2.059 1.00 54.41 C ATOM 132 CD LYS A 10 3.777 -9.076 3.362 1.00 65.13 C ATOM 133 CE LYS A 10 4.514 -7.762 3.145 1.00 45.24 C ATOM 134 NZ LYS A 10 3.578 -6.647 2.833 1.00 3.11 N ATOM 0 H LYS A 10 1.313 -12.952 1.607 1.00 24.45 H new ATOM 0 HA LYS A 10 3.918 -12.137 1.975 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.617 -10.895 1.441 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.646 -10.560 3.161 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.045 -9.952 1.422 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.698 -8.835 1.523 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.962 -8.925 4.070 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.454 -9.805 3.807 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.088 -7.515 4.038 1.00 45.24 H new ATOM 0 HE3 LYS A 10 5.228 -7.876 2.329 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.081 -5.740 2.909 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 3.213 -6.761 1.866 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.785 -6.661 3.506 1.00 3.11 H new ATOM 148 N ALA A 11 2.353 -12.670 4.823 1.00 50.21 N ATOM 149 CA ALA A 11 2.553 -12.847 6.256 1.00 34.33 C ATOM 150 C ALA A 11 3.467 -14.033 6.542 1.00 4.45 C ATOM 151 O ALA A 11 4.207 -14.035 7.526 1.00 53.20 O ATOM 152 CB ALA A 11 1.215 -13.029 6.958 1.00 43.42 C ATOM 0 H ALA A 11 1.411 -12.888 4.498 1.00 50.21 H new ATOM 0 HA ALA A 11 3.035 -11.949 6.643 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.380 -13.160 8.027 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.594 -12.149 6.792 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.711 -13.909 6.558 1.00 43.42 H new ATOM 158 N GLN A 12 3.410 -15.040 5.676 1.00 24.33 N ATOM 159 CA GLN A 12 4.233 -16.232 5.837 1.00 2.14 C ATOM 160 C GLN A 12 5.683 -15.950 5.454 1.00 42.14 C ATOM 161 O GLN A 12 6.609 -16.310 6.180 1.00 75.20 O ATOM 162 CB GLN A 12 3.683 -17.377 4.985 1.00 54.01 C ATOM 163 CG GLN A 12 2.509 -18.100 5.626 1.00 32.44 C ATOM 164 CD GLN A 12 2.923 -19.381 6.323 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.745 -20.478 5.789 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.480 -19.251 7.521 1.00 62.23 N ATOM 0 H GLN A 12 2.803 -15.054 4.857 1.00 24.33 H new ATOM 0 HA GLN A 12 4.203 -16.522 6.887 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.372 -16.983 4.018 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.482 -18.094 4.795 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.029 -17.438 6.346 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.767 -18.330 4.861 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.608 -18.324 7.926 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.780 -20.079 8.037 1.00 62.23 H new ATOM 175 N VAL A 13 5.871 -15.303 4.307 1.00 55.30 N ATOM 176 CA VAL A 13 7.207 -14.972 3.827 1.00 61.15 C ATOM 177 C VAL A 13 7.908 -14.008 4.776 1.00 35.34 C ATOM 178 O VAL A 13 9.089 -14.170 5.083 1.00 43.12 O ATOM 179 CB VAL A 13 7.159 -14.346 2.421 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.700 -15.372 1.395 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.249 -13.127 2.410 1.00 71.30 C ATOM 0 H VAL A 13 5.115 -14.998 3.694 1.00 55.30 H new ATOM 0 HA VAL A 13 7.768 -15.906 3.782 1.00 61.15 H new ATOM 0 HB VAL A 13 8.165 -14.022 2.153 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.672 -14.912 0.407 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.395 -16.212 1.384 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.704 -15.728 1.657 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.228 -12.698 1.408 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.241 -13.423 2.700 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.626 -12.385 3.114 1.00 71.30 H new ATOM 191 N MET A 14 7.173 -13.001 5.239 1.00 13.51 N ATOM 192 CA MET A 14 7.725 -12.010 6.156 1.00 42.15 C ATOM 193 C MET A 14 7.986 -12.625 7.527 1.00 13.12 C ATOM 194 O MET A 14 8.974 -12.300 8.184 1.00 73.12 O ATOM 195 CB MET A 14 6.771 -10.822 6.290 1.00 42.43 C ATOM 196 CG MET A 14 5.468 -11.164 6.992 1.00 3.14 C ATOM 197 SD MET A 14 5.519 -10.816 8.761 1.00 42.00 S ATOM 198 CE MET A 14 3.969 -11.536 9.294 1.00 52.44 C ATOM 0 H MET A 14 6.194 -12.850 4.994 1.00 13.51 H new ATOM 0 HA MET A 14 8.673 -11.661 5.748 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.272 -10.025 6.840 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.547 -10.433 5.297 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.655 -10.597 6.538 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.244 -12.220 6.840 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.814 -11.323 10.352 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.151 -11.109 8.714 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.997 -12.615 9.141 1.00 52.44 H new ATOM 208 N GLU A 15 7.093 -13.513 7.953 1.00 31.13 N ATOM 209 CA GLU A 15 7.228 -14.171 9.247 1.00 3.51 C ATOM 210 C GLU A 15 8.431 -15.111 9.257 1.00 40.41 C ATOM 211 O GLU A 15 9.111 -15.256 10.272 1.00 50.11 O ATOM 212 CB GLU A 15 5.955 -14.950 9.583 1.00 51.42 C ATOM 213 CG GLU A 15 6.069 -15.786 10.847 1.00 64.33 C ATOM 214 CD GLU A 15 4.798 -16.553 11.156 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.610 -17.646 10.582 1.00 72.54 O ATOM 216 OE2 GLU A 15 3.992 -16.060 11.972 1.00 12.44 O ATOM 0 H GLU A 15 6.269 -13.793 7.421 1.00 31.13 H new ATOM 0 HA GLU A 15 7.384 -13.401 10.003 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.129 -14.248 9.695 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.707 -15.603 8.746 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.896 -16.488 10.740 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.310 -15.136 11.688 1.00 64.33 H new ATOM 223 N SER A 16 8.684 -15.749 8.118 1.00 34.34 N ATOM 224 CA SER A 16 9.802 -16.679 7.995 1.00 4.21 C ATOM 225 C SER A 16 11.126 -15.928 7.905 1.00 25.30 C ATOM 226 O SER A 16 12.124 -16.331 8.504 1.00 71.45 O ATOM 227 CB SER A 16 9.620 -17.567 6.763 1.00 21.44 C ATOM 228 OG SER A 16 10.310 -17.034 5.646 1.00 73.30 O ATOM 0 H SER A 16 8.131 -15.639 7.268 1.00 34.34 H new ATOM 0 HA SER A 16 9.821 -17.306 8.886 1.00 4.21 H new ATOM 0 HB2 SER A 16 9.987 -18.571 6.977 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.559 -17.658 6.530 1.00 21.44 H new ATOM 0 HG SER A 16 9.915 -16.172 5.399 1.00 73.30 H new ATOM 234 N VAL A 17 11.128 -14.832 7.153 1.00 40.23 N ATOM 235 CA VAL A 17 12.329 -14.023 6.984 1.00 71.33 C ATOM 236 C VAL A 17 12.777 -13.421 8.311 1.00 73.43 C ATOM 237 O VAL A 17 13.934 -13.562 8.708 1.00 75.50 O ATOM 238 CB VAL A 17 12.103 -12.887 5.969 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.302 -11.952 5.937 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.824 -13.457 4.586 1.00 64.43 C ATOM 0 H VAL A 17 10.311 -14.484 6.651 1.00 40.23 H new ATOM 0 HA VAL A 17 13.107 -14.687 6.608 1.00 71.33 H new ATOM 0 HB VAL A 17 11.232 -12.311 6.283 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.123 -11.156 5.214 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.451 -11.518 6.926 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.192 -12.511 5.648 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.667 -12.641 3.881 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.674 -14.058 4.262 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.931 -14.081 4.623 1.00 64.43 H new ATOM 250 N ILE A 18 11.854 -12.752 8.993 1.00 20.20 N ATOM 251 CA ILE A 18 12.154 -12.131 10.277 1.00 4.21 C ATOM 252 C ILE A 18 12.872 -13.105 11.205 1.00 21.34 C ATOM 253 O ILE A 18 13.938 -12.799 11.737 1.00 62.42 O ATOM 254 CB ILE A 18 10.874 -11.627 10.971 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.215 -10.528 10.137 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.195 -11.118 12.369 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.723 -10.412 10.362 1.00 14.31 C ATOM 0 H ILE A 18 10.892 -12.626 8.678 1.00 20.20 H new ATOM 0 HA ILE A 18 12.805 -11.281 10.072 1.00 4.21 H new ATOM 0 HB ILE A 18 10.175 -12.458 11.060 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.685 -9.573 10.372 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.401 -10.723 9.081 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.281 -10.765 12.847 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.625 -11.926 12.961 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.909 -10.297 12.302 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.322 -9.613 9.738 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.241 -11.354 10.099 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.530 -10.186 11.411 1.00 14.31 H new ATOM 269 N GLY A 19 12.281 -14.281 11.393 1.00 20.44 N ATOM 270 CA GLY A 19 12.879 -15.282 12.256 1.00 33.42 C ATOM 271 C GLY A 19 14.083 -15.949 11.620 1.00 43.03 C ATOM 272 O GLY A 19 14.945 -16.484 12.320 1.00 24.14 O ATOM 0 H GLY A 19 11.399 -14.558 10.963 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.179 -14.816 13.195 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.134 -16.039 12.500 1.00 33.42 H new ATOM 276 N CYS A 20 14.144 -15.918 10.295 1.00 11.52 N ATOM 277 CA CYS A 20 15.250 -16.527 9.565 1.00 1.22 C ATOM 278 C CYS A 20 16.569 -15.840 9.905 1.00 65.11 C ATOM 279 O CYS A 20 17.553 -16.496 10.249 1.00 25.20 O ATOM 280 CB CYS A 20 14.997 -16.455 8.058 1.00 12.21 C ATOM 281 SG CYS A 20 14.441 -18.012 7.328 1.00 23.42 S ATOM 0 H CYS A 20 13.440 -15.477 9.703 1.00 11.52 H new ATOM 0 HA CYS A 20 15.318 -17.573 9.864 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.249 -15.687 7.862 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.915 -16.140 7.561 1.00 12.21 H new ATOM 0 HG CYS A 20 13.151 -18.112 7.450 1.00 23.42 H new ATOM 287 N LEU A 21 16.582 -14.515 9.804 1.00 53.41 N ATOM 288 CA LEU A 21 17.780 -13.738 10.100 1.00 51.22 C ATOM 289 C LEU A 21 17.650 -13.026 11.443 1.00 15.30 C ATOM 290 O LEU A 21 18.511 -12.231 11.823 1.00 53.22 O ATOM 291 CB LEU A 21 18.036 -12.716 8.991 1.00 25.12 C ATOM 292 CG LEU A 21 16.818 -12.307 8.161 1.00 53.32 C ATOM 293 CD1 LEU A 21 17.003 -10.907 7.597 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.575 -13.308 7.041 1.00 52.43 C ATOM 0 H LEU A 21 15.777 -13.957 9.520 1.00 53.41 H new ATOM 0 HA LEU A 21 18.624 -14.425 10.154 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.461 -11.819 9.442 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.790 -13.122 8.317 1.00 25.12 H new ATOM 0 HG LEU A 21 15.944 -12.302 8.812 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.127 -10.633 7.009 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.127 -10.198 8.416 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.888 -10.885 6.961 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.705 -13.001 6.461 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.449 -13.346 6.391 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.397 -14.295 7.468 1.00 52.43 H new ATOM 306 N LYS A 22 16.570 -13.317 12.159 1.00 1.40 N ATOM 307 CA LYS A 22 16.327 -12.707 13.460 1.00 75.54 C ATOM 308 C LYS A 22 16.452 -11.189 13.383 1.00 52.33 C ATOM 309 O LYS A 22 17.535 -10.634 13.571 1.00 32.45 O ATOM 310 CB LYS A 22 17.311 -13.258 14.495 1.00 53.14 C ATOM 311 CG LYS A 22 17.442 -14.770 14.466 1.00 11.31 C ATOM 312 CD LYS A 22 18.298 -15.279 15.614 1.00 24.50 C ATOM 313 CE LYS A 22 17.444 -15.837 16.741 1.00 14.00 C ATOM 314 NZ LYS A 22 17.161 -14.811 17.783 1.00 54.14 N ATOM 0 H LYS A 22 15.848 -13.972 11.860 1.00 1.40 H new ATOM 0 HA LYS A 22 15.310 -12.954 13.765 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.292 -12.814 14.324 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.990 -12.949 15.490 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.452 -15.223 14.521 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.882 -15.080 13.518 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.973 -16.053 15.250 1.00 24.50 H new ATOM 0 HD3 LYS A 22 18.919 -14.468 15.994 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.504 -16.210 16.334 1.00 14.00 H new ATOM 0 HE3 LYS A 22 17.953 -16.686 17.196 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.576 -15.231 18.534 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 18.057 -14.473 18.190 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 16.652 -14.012 17.354 1.00 54.14 H new ATOM 328 N LEU A 23 15.337 -10.522 13.106 1.00 63.12 N ATOM 329 CA LEU A 23 15.320 -9.067 13.006 1.00 10.22 C ATOM 330 C LEU A 23 14.892 -8.434 14.325 1.00 71.20 C ATOM 331 O LEU A 23 14.343 -9.106 15.197 1.00 42.11 O ATOM 332 CB LEU A 23 14.379 -8.624 11.885 1.00 24.31 C ATOM 333 CG LEU A 23 14.929 -8.735 10.463 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.219 -7.942 10.325 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.155 -10.194 10.091 1.00 71.34 C ATOM 0 H LEU A 23 14.433 -10.966 12.947 1.00 63.12 H new ATOM 0 HA LEU A 23 16.332 -8.732 12.776 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.467 -9.218 11.948 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.097 -7.586 12.064 1.00 24.31 H new ATOM 0 HG LEU A 23 14.194 -8.315 9.776 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.595 -8.033 9.306 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.027 -6.893 10.548 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.961 -8.331 11.022 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.547 -10.254 9.076 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.870 -10.639 10.783 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.210 -10.735 10.148 1.00 71.34 H new ATOM 347 N ASN A 24 15.145 -7.136 14.464 1.00 45.20 N ATOM 348 CA ASN A 24 14.783 -6.412 15.677 1.00 65.04 C ATOM 349 C ASN A 24 13.654 -5.423 15.404 1.00 22.23 C ATOM 350 O ASN A 24 13.121 -5.364 14.295 1.00 61.52 O ATOM 351 CB ASN A 24 16.000 -5.672 16.236 1.00 25.14 C ATOM 352 CG ASN A 24 17.213 -6.573 16.369 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.103 -7.796 16.291 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.378 -5.969 16.570 1.00 12.31 N ATOM 0 H ASN A 24 15.599 -6.565 13.752 1.00 45.20 H new ATOM 0 HA ASN A 24 14.437 -7.137 16.413 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.243 -4.833 15.584 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.752 -5.255 17.212 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.229 -6.522 16.667 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.422 -4.952 16.628 1.00 12.31 H new ATOM 361 N ASP A 25 13.295 -4.648 16.421 1.00 44.23 N ATOM 362 CA ASP A 25 12.230 -3.660 16.291 1.00 34.40 C ATOM 363 C ASP A 25 12.579 -2.621 15.230 1.00 23.34 C ATOM 364 O ASP A 25 11.718 -2.184 14.469 1.00 45.40 O ATOM 365 CB ASP A 25 11.978 -2.972 17.633 1.00 1.51 C ATOM 366 CG ASP A 25 12.008 -3.942 18.797 1.00 64.32 C ATOM 367 OD1 ASP A 25 13.114 -4.233 19.300 1.00 24.33 O ATOM 368 OD2 ASP A 25 10.925 -4.411 19.206 1.00 20.14 O ATOM 0 H ASP A 25 13.726 -4.685 17.345 1.00 44.23 H new ATOM 0 HA ASP A 25 11.323 -4.178 15.981 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.731 -2.199 17.789 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.010 -2.472 17.605 1.00 1.51 H new ATOM 373 N GLU A 26 13.849 -2.230 15.187 1.00 23.44 N ATOM 374 CA GLU A 26 14.312 -1.241 14.220 1.00 51.55 C ATOM 375 C GLU A 26 14.238 -1.794 12.799 1.00 41.22 C ATOM 376 O GLU A 26 13.698 -1.150 11.900 1.00 64.53 O ATOM 377 CB GLU A 26 15.746 -0.816 14.539 1.00 23.33 C ATOM 378 CG GLU A 26 15.862 0.048 15.784 1.00 11.13 C ATOM 379 CD GLU A 26 17.298 0.233 16.234 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.813 -0.647 16.955 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.907 1.259 15.865 1.00 10.11 O ATOM 0 H GLU A 26 14.575 -2.583 15.810 1.00 23.44 H new ATOM 0 HA GLU A 26 13.659 -0.371 14.288 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.360 -1.707 14.667 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.152 -0.269 13.688 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.418 1.024 15.587 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.288 -0.406 16.592 1.00 11.13 H new ATOM 388 N GLN A 27 14.784 -2.989 12.607 1.00 43.14 N ATOM 389 CA GLN A 27 14.782 -3.628 11.295 1.00 70.43 C ATOM 390 C GLN A 27 13.357 -3.815 10.784 1.00 74.33 C ATOM 391 O GLN A 27 13.075 -3.600 9.605 1.00 70.11 O ATOM 392 CB GLN A 27 15.493 -4.980 11.361 1.00 60.33 C ATOM 393 CG GLN A 27 17.003 -4.867 11.493 1.00 35.01 C ATOM 394 CD GLN A 27 17.458 -4.786 12.938 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.714 -5.807 13.577 1.00 33.13 O ATOM 396 NE2 GLN A 27 17.564 -3.569 13.459 1.00 31.11 N ATOM 0 H GLN A 27 15.234 -3.535 13.342 1.00 43.14 H new ATOM 0 HA GLN A 27 15.316 -2.978 10.602 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.104 -5.545 12.208 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.257 -5.550 10.462 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.471 -5.728 11.016 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.345 -3.981 10.958 1.00 35.01 H new ATOM 0 HE21 GLN A 27 17.341 -2.751 12.892 1.00 31.11 H new ATOM 0 HE22 GLN A 27 17.868 -3.453 14.426 1.00 31.11 H new ATOM 405 N LYS A 28 12.460 -4.216 11.679 1.00 33.40 N ATOM 406 CA LYS A 28 11.063 -4.432 11.320 1.00 0.31 C ATOM 407 C LYS A 28 10.367 -3.106 11.027 1.00 73.13 C ATOM 408 O LYS A 28 9.358 -3.069 10.322 1.00 33.23 O ATOM 409 CB LYS A 28 10.333 -5.167 12.446 1.00 10.45 C ATOM 410 CG LYS A 28 10.722 -6.630 12.569 1.00 2.22 C ATOM 411 CD LYS A 28 9.823 -7.364 13.549 1.00 53.25 C ATOM 412 CE LYS A 28 10.151 -6.998 14.988 1.00 14.30 C ATOM 413 NZ LYS A 28 11.334 -7.745 15.496 1.00 1.02 N ATOM 0 H LYS A 28 12.676 -4.398 12.659 1.00 33.40 H new ATOM 0 HA LYS A 28 11.035 -5.044 10.419 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.540 -4.664 13.391 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.258 -5.098 12.277 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.662 -7.107 11.591 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.759 -6.706 12.897 1.00 2.22 H new ATOM 0 HD2 LYS A 28 8.781 -7.122 13.340 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.935 -8.440 13.412 1.00 53.25 H new ATOM 0 HE2 LYS A 28 10.342 -5.927 15.055 1.00 14.30 H new ATOM 0 HE3 LYS A 28 9.289 -7.209 15.621 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 11.576 -7.406 16.449 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 11.113 -8.760 15.536 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 12.141 -7.591 14.859 1.00 1.02 H new ATOM 427 N GLN A 29 10.911 -2.023 11.572 1.00 54.00 N ATOM 428 CA GLN A 29 10.341 -0.697 11.368 1.00 31.22 C ATOM 429 C GLN A 29 10.906 -0.050 10.108 1.00 50.15 C ATOM 430 O GLN A 29 10.240 0.761 9.462 1.00 72.44 O ATOM 431 CB GLN A 29 10.618 0.192 12.581 1.00 30.00 C ATOM 432 CG GLN A 29 9.613 0.014 13.708 1.00 61.43 C ATOM 433 CD GLN A 29 9.752 1.070 14.786 1.00 52.42 C ATOM 434 OE1 GLN A 29 9.758 2.268 14.500 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.863 0.632 16.034 1.00 52.22 N ATOM 0 H GLN A 29 11.746 -2.038 12.158 1.00 54.00 H new ATOM 0 HA GLN A 29 9.263 -0.807 11.246 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.617 -0.024 12.959 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.616 1.235 12.265 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.604 0.049 13.298 1.00 61.43 H new ATOM 0 HG3 GLN A 29 9.742 -0.973 14.153 1.00 61.43 H new ATOM 0 HE21 GLN A 29 9.853 -0.370 16.226 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.958 1.297 16.801 1.00 52.22 H new ATOM 444 N ILE A 30 12.138 -0.412 9.764 1.00 2.02 N ATOM 445 CA ILE A 30 12.792 0.134 8.581 1.00 13.22 C ATOM 446 C ILE A 30 12.707 -0.837 7.409 1.00 11.13 C ATOM 447 O ILE A 30 13.516 -0.782 6.482 1.00 22.43 O ATOM 448 CB ILE A 30 14.271 0.461 8.856 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.045 -0.816 9.189 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.390 1.468 9.991 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.899 -1.320 8.046 1.00 63.02 C ATOM 0 H ILE A 30 12.703 -1.081 10.288 1.00 2.02 H new ATOM 0 HA ILE A 30 12.266 1.054 8.326 1.00 13.22 H new ATOM 0 HB ILE A 30 14.702 0.902 7.957 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.682 -0.630 10.054 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.339 -1.595 9.475 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.442 1.689 10.173 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.869 2.386 9.719 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.945 1.052 10.895 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.419 -2.228 8.353 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.265 -1.538 7.187 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.629 -0.558 7.774 1.00 63.02 H new ATOM 463 N LEU A 31 11.720 -1.725 7.454 1.00 64.14 N ATOM 464 CA LEU A 31 11.527 -2.709 6.394 1.00 21.12 C ATOM 465 C LEU A 31 10.451 -2.250 5.415 1.00 14.43 C ATOM 466 O LEU A 31 9.609 -1.417 5.749 1.00 1.54 O ATOM 467 CB LEU A 31 11.143 -4.064 6.993 1.00 41.11 C ATOM 468 CG LEU A 31 11.703 -5.295 6.279 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.943 -6.423 7.270 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.760 -5.746 5.174 1.00 12.21 C ATOM 0 H LEU A 31 11.041 -1.784 8.213 1.00 64.14 H new ATOM 0 HA LEU A 31 12.467 -2.812 5.851 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.476 -4.088 8.031 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.056 -4.139 7.005 1.00 41.11 H new ATOM 0 HG LEU A 31 12.658 -5.026 5.827 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.341 -7.291 6.744 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.657 -6.097 8.026 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.002 -6.691 7.751 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.175 -6.623 4.677 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.790 -5.997 5.603 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.638 -4.942 4.449 1.00 12.21 H new ATOM 482 N SER A 32 10.485 -2.800 4.206 1.00 11.55 N ATOM 483 CA SER A 32 9.515 -2.446 3.177 1.00 52.24 C ATOM 484 C SER A 32 9.436 -3.533 2.107 1.00 35.45 C ATOM 485 O SER A 32 10.357 -4.331 1.949 1.00 30.51 O ATOM 486 CB SER A 32 9.886 -1.108 2.533 1.00 52.12 C ATOM 487 OG SER A 32 9.437 -1.046 1.191 1.00 54.11 O ATOM 0 H SER A 32 11.174 -3.493 3.915 1.00 11.55 H new ATOM 0 HA SER A 32 8.538 -2.354 3.651 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.446 -0.291 3.105 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.967 -0.973 2.565 1.00 52.12 H new ATOM 0 HG SER A 32 9.685 -0.181 0.803 1.00 54.11 H new ATOM 493 N GLY A 33 8.325 -3.554 1.376 1.00 1.31 N ATOM 494 CA GLY A 33 8.145 -4.545 0.331 1.00 55.30 C ATOM 495 C GLY A 33 9.123 -4.366 -0.813 1.00 2.44 C ATOM 496 O GLY A 33 9.420 -5.314 -1.540 1.00 22.34 O ATOM 0 H GLY A 33 7.548 -2.903 1.489 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.266 -5.542 0.755 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.127 -4.483 -0.053 1.00 55.30 H new ATOM 500 N THR A 34 9.625 -3.145 -0.975 1.00 51.35 N ATOM 501 CA THR A 34 10.572 -2.844 -2.041 1.00 3.10 C ATOM 502 C THR A 34 11.981 -2.662 -1.489 1.00 64.01 C ATOM 503 O THR A 34 12.728 -1.792 -1.938 1.00 73.14 O ATOM 504 CB THR A 34 10.166 -1.574 -2.811 1.00 42.35 C ATOM 505 OG1 THR A 34 10.332 -0.422 -1.977 1.00 2.24 O ATOM 506 CG2 THR A 34 8.722 -1.663 -3.280 1.00 32.33 C ATOM 0 H THR A 34 9.391 -2.349 -0.381 1.00 51.35 H new ATOM 0 HA THR A 34 10.559 -3.693 -2.724 1.00 3.10 H new ATOM 0 HB THR A 34 10.810 -1.485 -3.686 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.073 0.382 -2.474 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.459 -0.754 -3.821 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.606 -2.524 -3.938 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.065 -1.775 -2.417 1.00 32.33 H new ATOM 514 N THR A 35 12.340 -3.489 -0.511 1.00 44.01 N ATOM 515 CA THR A 35 13.660 -3.418 0.103 1.00 42.43 C ATOM 516 C THR A 35 14.374 -4.762 0.029 1.00 0.31 C ATOM 517 O THR A 35 13.928 -5.745 0.619 1.00 42.14 O ATOM 518 CB THR A 35 13.572 -2.977 1.577 1.00 23.32 C ATOM 519 OG1 THR A 35 12.976 -1.679 1.664 1.00 14.23 O ATOM 520 CG2 THR A 35 14.951 -2.953 2.218 1.00 52.31 C ATOM 0 H THR A 35 11.735 -4.215 -0.128 1.00 44.01 H new ATOM 0 HA THR A 35 14.229 -2.676 -0.457 1.00 42.43 H new ATOM 0 HB THR A 35 12.953 -3.697 2.113 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.203 -1.272 2.526 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.863 -2.639 3.258 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.389 -3.950 2.176 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.590 -2.253 1.680 1.00 52.31 H new ATOM 528 N ASN A 36 15.485 -4.798 -0.701 1.00 22.34 N ATOM 529 CA ASN A 36 16.260 -6.024 -0.851 1.00 3.42 C ATOM 530 C ASN A 36 16.772 -6.514 0.500 1.00 24.22 C ATOM 531 O ASN A 36 17.702 -5.942 1.069 1.00 54.35 O ATOM 532 CB ASN A 36 17.439 -5.793 -1.801 1.00 23.01 C ATOM 533 CG ASN A 36 17.974 -7.087 -2.382 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.734 -8.169 -1.844 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.705 -6.981 -3.486 1.00 21.54 N ATOM 0 H ASN A 36 15.868 -3.993 -1.197 1.00 22.34 H new ATOM 0 HA ASN A 36 15.606 -6.788 -1.271 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.125 -5.136 -2.612 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.238 -5.280 -1.266 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.093 -7.817 -3.923 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.878 -6.064 -3.897 1.00 21.54 H new ATOM 542 N LEU A 37 16.158 -7.578 1.008 1.00 42.04 N ATOM 543 CA LEU A 37 16.550 -8.147 2.292 1.00 41.12 C ATOM 544 C LEU A 37 17.940 -8.770 2.210 1.00 34.43 C ATOM 545 O LEU A 37 18.549 -9.088 3.231 1.00 41.43 O ATOM 546 CB LEU A 37 15.532 -9.198 2.738 1.00 32.32 C ATOM 547 CG LEU A 37 14.062 -8.791 2.645 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.253 -9.872 1.944 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.496 -8.513 4.030 1.00 73.30 C ATOM 0 H LEU A 37 15.387 -8.063 0.550 1.00 42.04 H new ATOM 0 HA LEU A 37 16.576 -7.342 3.026 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.679 -10.095 2.136 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.748 -9.469 3.771 1.00 32.32 H new ATOM 0 HG LEU A 37 13.995 -7.876 2.057 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.209 -9.565 1.887 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.643 -10.023 0.937 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.327 -10.804 2.505 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.448 -8.225 3.944 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.576 -9.411 4.643 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.058 -7.704 4.497 1.00 73.30 H new ATOM 561 N ALA A 38 18.435 -8.939 0.989 1.00 11.43 N ATOM 562 CA ALA A 38 19.755 -9.520 0.774 1.00 64.01 C ATOM 563 C ALA A 38 20.842 -8.454 0.849 1.00 74.52 C ATOM 564 O ALA A 38 21.881 -8.654 1.480 1.00 11.43 O ATOM 565 CB ALA A 38 19.805 -10.234 -0.569 1.00 72.25 C ATOM 0 H ALA A 38 17.942 -8.682 0.134 1.00 11.43 H new ATOM 0 HA ALA A 38 19.939 -10.246 1.566 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.796 -10.663 -0.716 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.059 -11.029 -0.586 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.595 -9.522 -1.367 1.00 72.25 H new ATOM 571 N LYS A 39 20.600 -7.321 0.199 1.00 24.43 N ATOM 572 CA LYS A 39 21.558 -6.221 0.192 1.00 74.40 C ATOM 573 C LYS A 39 21.393 -5.349 1.433 1.00 20.11 C ATOM 574 O LYS A 39 22.360 -5.076 2.144 1.00 33.41 O ATOM 575 CB LYS A 39 21.383 -5.373 -1.069 1.00 32.01 C ATOM 576 CG LYS A 39 22.670 -4.727 -1.551 1.00 13.31 C ATOM 577 CD LYS A 39 22.708 -4.621 -3.066 1.00 0.14 C ATOM 578 CE LYS A 39 21.593 -3.728 -3.591 1.00 0.24 C ATOM 579 NZ LYS A 39 22.005 -2.993 -4.818 1.00 32.20 N ATOM 0 H LYS A 39 19.747 -7.140 -0.331 1.00 24.43 H new ATOM 0 HA LYS A 39 22.562 -6.646 0.199 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.981 -6.000 -1.865 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.646 -4.594 -0.873 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.765 -3.733 -1.113 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.523 -5.311 -1.205 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.673 -4.223 -3.380 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.616 -5.615 -3.504 1.00 0.14 H new ATOM 0 HE2 LYS A 39 20.714 -4.334 -3.809 1.00 0.24 H new ATOM 0 HE3 LYS A 39 21.305 -3.014 -2.819 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 21.219 -2.396 -5.145 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.829 -2.395 -4.604 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 22.256 -3.674 -5.563 1.00 32.20 H new ATOM 593 N ASP A 40 20.163 -4.915 1.686 1.00 63.34 N ATOM 594 CA ASP A 40 19.872 -4.074 2.842 1.00 12.34 C ATOM 595 C ASP A 40 20.427 -4.696 4.119 1.00 41.35 C ATOM 596 O ASP A 40 21.297 -4.121 4.774 1.00 11.14 O ATOM 597 CB ASP A 40 18.364 -3.861 2.976 1.00 60.32 C ATOM 598 CG ASP A 40 18.023 -2.695 3.884 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.027 -2.883 5.119 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.751 -1.595 3.360 1.00 43.03 O ATOM 0 H ASP A 40 19.352 -5.131 1.107 1.00 63.34 H new ATOM 0 HA ASP A 40 20.355 -3.109 2.691 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.935 -3.687 1.989 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.905 -4.769 3.367 1.00 60.32 H new ATOM 605 N PHE A 41 19.918 -5.872 4.468 1.00 51.23 N ATOM 606 CA PHE A 41 20.362 -6.572 5.668 1.00 55.34 C ATOM 607 C PHE A 41 21.693 -7.278 5.427 1.00 13.42 C ATOM 608 O PHE A 41 22.263 -7.878 6.336 1.00 4.32 O ATOM 609 CB PHE A 41 19.306 -7.587 6.112 1.00 32.53 C ATOM 610 CG PHE A 41 17.995 -6.962 6.494 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.960 -5.834 7.298 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.800 -7.500 6.049 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.754 -5.256 7.652 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.592 -6.927 6.399 1.00 63.51 C ATOM 615 CZ PHE A 41 15.570 -5.803 7.201 1.00 32.44 C ATOM 0 H PHE A 41 19.197 -6.361 3.937 1.00 51.23 H new ATOM 0 HA PHE A 41 20.502 -5.834 6.458 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.138 -8.300 5.305 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.691 -8.152 6.961 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.884 -5.401 7.652 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.812 -8.378 5.421 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.739 -4.378 8.280 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.667 -7.358 6.046 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.627 -5.353 7.475 1.00 32.44 H new ATOM 625 N ASN A 42 22.182 -7.199 4.194 1.00 62.01 N ATOM 626 CA ASN A 42 23.445 -7.831 3.830 1.00 43.41 C ATOM 627 C ASN A 42 23.446 -9.307 4.218 1.00 32.20 C ATOM 628 O ASN A 42 24.461 -9.841 4.669 1.00 14.03 O ATOM 629 CB ASN A 42 24.612 -7.113 4.510 1.00 74.50 C ATOM 630 CG ASN A 42 25.159 -5.975 3.670 1.00 43.04 C ATOM 631 OD1 ASN A 42 24.653 -4.854 3.717 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.201 -6.259 2.897 1.00 71.31 N ATOM 0 H ASN A 42 21.723 -6.704 3.430 1.00 62.01 H new ATOM 0 HA ASN A 42 23.562 -7.758 2.749 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.284 -6.724 5.474 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.409 -7.829 4.710 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.614 -5.534 2.311 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.588 -7.203 2.890 1.00 71.31 H new ATOM 639 N LEU A 43 22.304 -9.961 4.037 1.00 0.14 N ATOM 640 CA LEU A 43 22.173 -11.376 4.367 1.00 4.12 C ATOM 641 C LEU A 43 23.289 -12.191 3.721 1.00 55.50 C ATOM 642 O LEU A 43 23.773 -11.854 2.641 1.00 12.51 O ATOM 643 CB LEU A 43 20.811 -11.902 3.908 1.00 2.23 C ATOM 644 CG LEU A 43 19.614 -11.506 4.771 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.318 -11.999 4.145 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.769 -12.054 6.183 1.00 61.35 C ATOM 0 H LEU A 43 21.456 -9.535 3.664 1.00 0.14 H new ATOM 0 HA LEU A 43 22.251 -11.481 5.449 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.632 -11.552 2.891 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.859 -12.990 3.866 1.00 2.23 H new ATOM 0 HG LEU A 43 19.576 -10.418 4.827 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.476 -11.708 4.774 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.201 -11.558 3.155 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.346 -13.085 4.057 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.907 -11.762 6.783 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.834 -13.141 6.146 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.677 -11.651 6.632 1.00 61.35 H new ATOM 658 N ASP A 44 23.692 -13.265 4.391 1.00 13.11 N ATOM 659 CA ASP A 44 24.749 -14.131 3.882 1.00 72.53 C ATOM 660 C ASP A 44 24.178 -15.196 2.950 1.00 75.24 C ATOM 661 O ASP A 44 22.995 -15.527 3.021 1.00 40.44 O ATOM 662 CB ASP A 44 25.495 -14.797 5.040 1.00 51.15 C ATOM 663 CG ASP A 44 26.931 -15.132 4.688 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.531 -14.391 3.880 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.455 -16.133 5.219 1.00 30.42 O ATOM 0 H ASP A 44 23.303 -13.557 5.288 1.00 13.11 H new ATOM 0 HA ASP A 44 25.448 -13.515 3.316 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.481 -14.135 5.906 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.972 -15.709 5.328 1.00 51.15 H new ATOM 670 N SER A 45 25.027 -15.727 2.076 1.00 65.32 N ATOM 671 CA SER A 45 24.606 -16.750 1.126 1.00 60.12 C ATOM 672 C SER A 45 23.970 -17.933 1.849 1.00 31.24 C ATOM 673 O SER A 45 23.151 -18.656 1.281 1.00 40.22 O ATOM 674 CB SER A 45 25.799 -17.226 0.295 1.00 63.42 C ATOM 675 OG SER A 45 25.397 -18.180 -0.674 1.00 12.42 O ATOM 0 H SER A 45 26.010 -15.466 2.006 1.00 65.32 H new ATOM 0 HA SER A 45 23.862 -16.310 0.461 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.265 -16.374 -0.200 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.552 -17.664 0.951 1.00 63.42 H new ATOM 0 HG SER A 45 26.177 -18.468 -1.193 1.00 12.42 H new ATOM 681 N LEU A 46 24.354 -18.126 3.107 1.00 71.33 N ATOM 682 CA LEU A 46 23.823 -19.222 3.909 1.00 25.25 C ATOM 683 C LEU A 46 22.379 -18.946 4.319 1.00 62.14 C ATOM 684 O LEU A 46 21.506 -19.799 4.164 1.00 62.33 O ATOM 685 CB LEU A 46 24.687 -19.434 5.154 1.00 13.24 C ATOM 686 CG LEU A 46 25.895 -20.357 4.982 1.00 31.11 C ATOM 687 CD1 LEU A 46 25.444 -21.797 4.797 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.747 -19.907 3.804 1.00 75.23 C ATOM 0 H LEU A 46 25.031 -17.538 3.593 1.00 71.33 H new ATOM 0 HA LEU A 46 23.843 -20.127 3.302 1.00 25.25 H new ATOM 0 HB2 LEU A 46 25.043 -18.462 5.495 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.056 -19.838 5.946 1.00 13.24 H new ATOM 0 HG LEU A 46 26.502 -20.301 5.886 1.00 31.11 H new ATOM 0 HD11 LEU A 46 26.317 -22.439 4.676 1.00 42.14 H new ATOM 0 HD12 LEU A 46 24.877 -22.116 5.672 1.00 42.14 H new ATOM 0 HD13 LEU A 46 24.814 -21.870 3.910 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.602 -20.575 3.697 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.150 -19.932 2.892 1.00 75.23 H new ATOM 0 HD23 LEU A 46 27.101 -18.891 3.978 1.00 75.23 H new ATOM 700 N ASP A 47 22.138 -17.749 4.842 1.00 2.12 N ATOM 701 CA ASP A 47 20.799 -17.359 5.272 1.00 55.22 C ATOM 702 C ASP A 47 19.805 -17.465 4.120 1.00 62.23 C ATOM 703 O ASP A 47 18.736 -18.059 4.261 1.00 64.30 O ATOM 704 CB ASP A 47 20.812 -15.931 5.820 1.00 35.55 C ATOM 705 CG ASP A 47 20.311 -15.855 7.249 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.420 -16.654 7.609 1.00 22.24 O ATOM 707 OD2 ASP A 47 20.810 -14.999 8.007 1.00 73.34 O ATOM 0 H ASP A 47 22.851 -17.032 4.979 1.00 2.12 H new ATOM 0 HA ASP A 47 20.486 -18.041 6.062 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.827 -15.536 5.772 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.193 -15.296 5.187 1.00 35.55 H new ATOM 712 N PHE A 48 20.166 -16.885 2.979 1.00 64.30 N ATOM 713 CA PHE A 48 19.305 -16.913 1.802 1.00 64.44 C ATOM 714 C PHE A 48 18.866 -18.339 1.483 1.00 11.41 C ATOM 715 O PHE A 48 17.686 -18.600 1.248 1.00 74.22 O ATOM 716 CB PHE A 48 20.032 -16.310 0.599 1.00 22.22 C ATOM 717 CG PHE A 48 19.107 -15.857 -0.495 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.548 -14.589 -0.467 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.796 -16.699 -1.550 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.697 -14.168 -1.471 1.00 14.24 C ATOM 721 CE2 PHE A 48 17.946 -16.284 -2.558 1.00 10.41 C ATOM 722 CZ PHE A 48 17.395 -15.018 -2.517 1.00 43.02 C ATOM 0 H PHE A 48 21.048 -16.391 2.845 1.00 64.30 H new ATOM 0 HA PHE A 48 18.417 -16.318 2.017 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.629 -15.462 0.933 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.725 -17.049 0.196 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.780 -13.922 0.350 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.222 -17.691 -1.585 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.269 -13.177 -1.438 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.713 -16.949 -3.377 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.729 -14.693 -3.302 1.00 43.02 H new ATOM 732 N VAL A 49 19.825 -19.259 1.475 1.00 31.14 N ATOM 733 CA VAL A 49 19.539 -20.659 1.185 1.00 4.02 C ATOM 734 C VAL A 49 18.422 -21.188 2.078 1.00 75.11 C ATOM 735 O VAL A 49 17.438 -21.748 1.593 1.00 13.45 O ATOM 736 CB VAL A 49 20.791 -21.539 1.372 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.446 -23.006 1.170 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.892 -21.105 0.418 1.00 40.22 C ATOM 0 H VAL A 49 20.807 -19.060 1.666 1.00 31.14 H new ATOM 0 HA VAL A 49 19.222 -20.708 0.143 1.00 4.02 H new ATOM 0 HB VAL A 49 21.155 -21.414 2.392 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.342 -23.612 1.306 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.691 -23.306 1.897 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.058 -23.153 0.162 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.769 -21.736 0.563 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.542 -21.201 -0.610 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.156 -20.066 0.616 1.00 40.22 H new ATOM 748 N ASP A 50 18.580 -21.007 3.383 1.00 22.50 N ATOM 749 CA ASP A 50 17.584 -21.464 4.345 1.00 13.12 C ATOM 750 C ASP A 50 16.249 -20.759 4.122 1.00 71.13 C ATOM 751 O ASP A 50 15.185 -21.327 4.372 1.00 54.43 O ATOM 752 CB ASP A 50 18.072 -21.219 5.774 1.00 0.42 C ATOM 753 CG ASP A 50 18.947 -22.345 6.288 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.893 -22.735 5.572 1.00 24.13 O ATOM 755 OD2 ASP A 50 18.687 -22.837 7.406 1.00 60.22 O ATOM 0 H ASP A 50 19.389 -20.547 3.800 1.00 22.50 H new ATOM 0 HA ASP A 50 17.438 -22.534 4.198 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.631 -20.284 5.809 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.212 -21.101 6.433 1.00 0.42 H new ATOM 760 N LEU A 51 16.313 -19.518 3.652 1.00 21.14 N ATOM 761 CA LEU A 51 15.110 -18.734 3.396 1.00 73.32 C ATOM 762 C LEU A 51 14.304 -19.333 2.248 1.00 12.04 C ATOM 763 O LEU A 51 13.136 -19.686 2.414 1.00 41.05 O ATOM 764 CB LEU A 51 15.481 -17.285 3.074 1.00 42.44 C ATOM 765 CG LEU A 51 15.424 -16.302 4.244 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.390 -15.149 4.020 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.007 -15.783 4.436 1.00 62.45 C ATOM 0 H LEU A 51 17.185 -19.033 3.441 1.00 21.14 H new ATOM 0 HA LEU A 51 14.495 -18.753 4.295 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.491 -17.272 2.663 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.814 -16.926 2.291 1.00 42.44 H new ATOM 0 HG LEU A 51 15.723 -16.828 5.151 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.336 -14.460 4.863 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.405 -15.536 3.933 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.123 -14.623 3.103 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.985 -15.085 5.273 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.680 -15.273 3.530 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.338 -16.619 4.643 1.00 62.45 H new ATOM 779 N ILE A 52 14.936 -19.444 1.084 1.00 42.41 N ATOM 780 CA ILE A 52 14.278 -20.004 -0.091 1.00 64.52 C ATOM 781 C ILE A 52 13.809 -21.431 0.169 1.00 62.04 C ATOM 782 O ILE A 52 12.735 -21.832 -0.275 1.00 73.21 O ATOM 783 CB ILE A 52 15.214 -19.997 -1.315 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.517 -20.730 -0.993 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.497 -18.568 -1.757 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.540 -20.661 -2.106 1.00 45.42 C ATOM 0 H ILE A 52 15.902 -19.154 0.929 1.00 42.41 H new ATOM 0 HA ILE A 52 13.414 -19.374 -0.300 1.00 64.52 H new ATOM 0 HB ILE A 52 14.720 -20.519 -2.135 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.949 -20.306 -0.087 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.293 -21.775 -0.780 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.160 -18.579 -2.622 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.561 -18.077 -2.023 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.974 -18.023 -0.942 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.438 -21.202 -1.809 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.127 -21.112 -3.008 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.793 -19.619 -2.304 1.00 45.42 H new ATOM 798 N MET A 53 14.623 -22.193 0.892 1.00 51.11 N ATOM 799 CA MET A 53 14.290 -23.576 1.214 1.00 32.40 C ATOM 800 C MET A 53 13.108 -23.640 2.176 1.00 13.42 C ATOM 801 O MET A 53 12.220 -24.480 2.028 1.00 74.24 O ATOM 802 CB MET A 53 15.499 -24.286 1.824 1.00 44.13 C ATOM 803 CG MET A 53 16.575 -24.636 0.809 1.00 25.10 C ATOM 804 SD MET A 53 17.204 -26.314 1.013 1.00 72.30 S ATOM 805 CE MET A 53 15.707 -27.267 0.769 1.00 3.12 C ATOM 0 H MET A 53 15.518 -21.876 1.266 1.00 51.11 H new ATOM 0 HA MET A 53 14.011 -24.081 0.289 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.932 -23.650 2.596 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.164 -25.199 2.315 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.170 -24.524 -0.197 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.400 -23.929 0.901 1.00 25.10 H new ATOM 0 HE1 MET A 53 15.961 -28.244 0.358 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.198 -27.396 1.724 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.050 -26.741 0.076 1.00 3.12 H new ATOM 815 N SER A 54 13.105 -22.750 3.163 1.00 2.33 N ATOM 816 CA SER A 54 12.034 -22.708 4.152 1.00 62.54 C ATOM 817 C SER A 54 10.689 -22.434 3.486 1.00 44.30 C ATOM 818 O SER A 54 9.726 -23.179 3.674 1.00 20.01 O ATOM 819 CB SER A 54 12.323 -21.634 5.203 1.00 71.54 C ATOM 820 OG SER A 54 13.204 -22.122 6.201 1.00 73.12 O ATOM 0 H SER A 54 13.832 -22.048 3.299 1.00 2.33 H new ATOM 0 HA SER A 54 11.986 -23.681 4.640 1.00 62.54 H new ATOM 0 HB2 SER A 54 12.761 -20.759 4.723 1.00 71.54 H new ATOM 0 HB3 SER A 54 11.390 -21.311 5.664 1.00 71.54 H new ATOM 0 HG SER A 54 14.131 -22.011 5.902 1.00 73.12 H new ATOM 826 N LEU A 55 10.630 -21.360 2.706 1.00 14.25 N ATOM 827 CA LEU A 55 9.403 -20.986 2.011 1.00 10.24 C ATOM 828 C LEU A 55 9.025 -22.034 0.970 1.00 75.25 C ATOM 829 O LEU A 55 7.848 -22.336 0.779 1.00 71.11 O ATOM 830 CB LEU A 55 9.571 -19.622 1.339 1.00 41.14 C ATOM 831 CG LEU A 55 9.175 -18.407 2.179 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.621 -17.120 1.500 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.673 -18.391 2.421 1.00 42.13 C ATOM 0 H LEU A 55 11.417 -20.733 2.539 1.00 14.25 H new ATOM 0 HA LEU A 55 8.601 -20.927 2.747 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.614 -19.510 1.044 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.979 -19.615 0.424 1.00 41.14 H new ATOM 0 HG LEU A 55 9.677 -18.478 3.144 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.331 -16.266 2.112 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.704 -17.129 1.380 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.148 -17.042 0.521 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.410 -17.519 3.020 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.151 -18.345 1.465 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.380 -19.297 2.951 1.00 42.13 H new ATOM 845 N GLU A 56 10.033 -22.589 0.303 1.00 54.04 N ATOM 846 CA GLU A 56 9.805 -23.605 -0.717 1.00 2.32 C ATOM 847 C GLU A 56 9.039 -24.793 -0.140 1.00 62.44 C ATOM 848 O GLU A 56 8.018 -25.210 -0.686 1.00 54.25 O ATOM 849 CB GLU A 56 11.137 -24.080 -1.303 1.00 1.43 C ATOM 850 CG GLU A 56 10.985 -25.137 -2.382 1.00 42.31 C ATOM 851 CD GLU A 56 12.271 -25.897 -2.640 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.005 -26.168 -1.666 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.545 -26.221 -3.815 1.00 62.11 O ATOM 0 H GLU A 56 11.014 -22.352 0.451 1.00 54.04 H new ATOM 0 HA GLU A 56 9.206 -23.158 -1.510 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.668 -23.223 -1.718 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.756 -24.480 -0.500 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.205 -25.840 -2.090 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.656 -24.662 -3.307 1.00 42.31 H new ATOM 860 N GLU A 57 9.542 -25.332 0.966 1.00 54.50 N ATOM 861 CA GLU A 57 8.906 -26.472 1.616 1.00 24.33 C ATOM 862 C GLU A 57 7.604 -26.056 2.295 1.00 63.24 C ATOM 863 O GLU A 57 6.664 -26.844 2.396 1.00 51.32 O ATOM 864 CB GLU A 57 9.853 -27.095 2.644 1.00 70.42 C ATOM 865 CG GLU A 57 10.072 -26.229 3.874 1.00 45.51 C ATOM 866 CD GLU A 57 10.916 -26.917 4.929 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.846 -28.160 5.026 1.00 54.44 O ATOM 868 OE2 GLU A 57 11.645 -26.212 5.658 1.00 54.52 O ATOM 0 H GLU A 57 10.387 -24.998 1.430 1.00 54.50 H new ATOM 0 HA GLU A 57 8.675 -27.212 0.849 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.453 -28.060 2.956 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.815 -27.287 2.169 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.556 -25.298 3.577 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.106 -25.963 4.303 1.00 45.51 H new ATOM 875 N ARG A 58 7.558 -24.811 2.759 1.00 53.32 N ATOM 876 CA ARG A 58 6.374 -24.289 3.430 1.00 13.33 C ATOM 877 C ARG A 58 5.152 -24.369 2.518 1.00 74.53 C ATOM 878 O ARG A 58 4.146 -24.988 2.863 1.00 31.54 O ATOM 879 CB ARG A 58 6.604 -22.840 3.864 1.00 54.15 C ATOM 880 CG ARG A 58 5.414 -22.223 4.582 1.00 74.42 C ATOM 881 CD ARG A 58 5.617 -22.213 6.089 1.00 52.45 C ATOM 882 NE ARG A 58 6.783 -21.425 6.480 1.00 53.44 N ATOM 883 CZ ARG A 58 7.175 -21.267 7.738 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.498 -21.841 8.724 1.00 42.21 N ATOM 885 NH2 ARG A 58 8.247 -20.534 8.015 1.00 23.43 N ATOM 0 H ARG A 58 8.327 -24.146 2.682 1.00 53.32 H new ATOM 0 HA ARG A 58 6.189 -24.901 4.313 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.474 -22.800 4.519 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.839 -22.239 2.985 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.262 -21.204 4.227 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.511 -22.783 4.339 1.00 74.42 H new ATOM 0 HD2 ARG A 58 4.728 -21.808 6.572 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.735 -23.236 6.445 1.00 52.45 H new ATOM 0 HE ARG A 58 7.326 -20.971 5.746 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.674 -22.405 8.516 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.801 -21.718 9.690 1.00 42.21 H new ATOM 0 HH21 ARG A 58 8.771 -20.091 7.260 1.00 23.43 H new ATOM 0 HH22 ARG A 58 8.547 -20.414 8.983 1.00 23.43 H new ATOM 899 N PHE A 59 5.250 -23.739 1.351 1.00 13.35 N ATOM 900 CA PHE A 59 4.153 -23.739 0.390 1.00 45.43 C ATOM 901 C PHE A 59 4.345 -24.833 -0.655 1.00 63.14 C ATOM 902 O PHE A 59 3.648 -24.867 -1.670 1.00 53.21 O ATOM 903 CB PHE A 59 4.050 -22.375 -0.296 1.00 45.14 C ATOM 904 CG PHE A 59 3.596 -21.275 0.620 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.499 -20.627 1.447 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.265 -20.890 0.654 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.084 -19.614 2.290 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.844 -19.878 1.496 1.00 62.10 C ATOM 909 CZ PHE A 59 2.754 -19.240 2.316 1.00 34.21 C ATOM 0 H PHE A 59 6.076 -23.223 1.049 1.00 13.35 H new ATOM 0 HA PHE A 59 3.228 -23.937 0.931 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.023 -22.112 -0.712 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.355 -22.450 -1.133 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.539 -20.917 1.433 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.549 -21.386 0.016 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.798 -19.115 2.928 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.804 -19.586 1.513 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.427 -18.450 2.976 1.00 34.21 H new ATOM 919 N SER A 60 5.296 -25.727 -0.401 1.00 31.03 N ATOM 920 CA SER A 60 5.583 -26.821 -1.321 1.00 23.01 C ATOM 921 C SER A 60 5.792 -26.298 -2.739 1.00 74.45 C ATOM 922 O SER A 60 5.500 -26.987 -3.716 1.00 64.52 O ATOM 923 CB SER A 60 4.444 -27.842 -1.304 1.00 35.11 C ATOM 924 OG SER A 60 4.909 -29.130 -1.666 1.00 74.33 O ATOM 0 H SER A 60 5.881 -25.715 0.435 1.00 31.03 H new ATOM 0 HA SER A 60 6.502 -27.307 -0.993 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.999 -27.879 -0.310 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.660 -27.528 -1.993 1.00 35.11 H new ATOM 0 HG SER A 60 4.163 -29.765 -1.646 1.00 74.33 H new ATOM 930 N LEU A 61 6.298 -25.075 -2.842 1.00 21.40 N ATOM 931 CA LEU A 61 6.546 -24.457 -4.141 1.00 71.22 C ATOM 932 C LEU A 61 7.805 -25.028 -4.783 1.00 54.53 C ATOM 933 O LEU A 61 8.695 -25.525 -4.093 1.00 0.43 O ATOM 934 CB LEU A 61 6.679 -22.940 -3.988 1.00 74.25 C ATOM 935 CG LEU A 61 6.984 -22.162 -5.269 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.871 -22.354 -6.288 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.177 -20.684 -4.961 1.00 62.50 C ATOM 0 H LEU A 61 6.545 -24.491 -2.043 1.00 21.40 H new ATOM 0 HA LEU A 61 5.698 -24.677 -4.790 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.752 -22.555 -3.564 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.469 -22.735 -3.265 1.00 74.25 H new ATOM 0 HG LEU A 61 7.910 -22.549 -5.695 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.105 -21.793 -7.193 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.779 -23.413 -6.531 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.930 -21.994 -5.871 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.393 -20.145 -5.884 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.268 -20.284 -4.512 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.008 -20.563 -4.267 1.00 62.50 H new ATOM 949 N GLU A 62 7.875 -24.951 -6.108 1.00 64.11 N ATOM 950 CA GLU A 62 9.027 -25.459 -6.843 1.00 40.54 C ATOM 951 C GLU A 62 9.932 -24.316 -7.294 1.00 32.21 C ATOM 952 O GLU A 62 9.710 -23.711 -8.343 1.00 65.30 O ATOM 953 CB GLU A 62 8.569 -26.269 -8.058 1.00 3.23 C ATOM 954 CG GLU A 62 8.241 -27.717 -7.735 1.00 44.02 C ATOM 955 CD GLU A 62 6.870 -27.880 -7.108 1.00 2.22 C ATOM 956 OE1 GLU A 62 5.893 -27.344 -7.673 1.00 33.24 O ATOM 957 OE2 GLU A 62 6.773 -28.541 -6.054 1.00 32.41 O ATOM 0 H GLU A 62 7.148 -24.542 -6.694 1.00 64.11 H new ATOM 0 HA GLU A 62 9.594 -26.108 -6.175 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.689 -25.793 -8.490 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.351 -26.243 -8.817 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.291 -28.309 -8.649 1.00 44.02 H new ATOM 0 HG3 GLU A 62 8.996 -28.114 -7.056 1.00 44.02 H new ATOM 964 N ILE A 63 10.952 -24.025 -6.492 1.00 12.34 N ATOM 965 CA ILE A 63 11.890 -22.956 -6.809 1.00 13.42 C ATOM 966 C ILE A 63 13.212 -23.519 -7.322 1.00 50.35 C ATOM 967 O ILE A 63 13.718 -24.514 -6.804 1.00 1.03 O ATOM 968 CB ILE A 63 12.166 -22.068 -5.581 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.850 -21.658 -4.915 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.967 -20.839 -5.985 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.039 -20.832 -3.662 1.00 31.30 C ATOM 0 H ILE A 63 11.149 -24.515 -5.619 1.00 12.34 H new ATOM 0 HA ILE A 63 11.428 -22.351 -7.589 1.00 13.42 H new ATOM 0 HB ILE A 63 12.753 -22.640 -4.862 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.253 -21.090 -5.628 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.283 -22.555 -4.667 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.154 -20.222 -5.106 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.917 -21.150 -6.419 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.404 -20.263 -6.720 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.065 -20.577 -3.244 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.609 -21.405 -2.931 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.579 -19.917 -3.907 1.00 31.30 H new ATOM 983 N SER A 64 13.768 -22.873 -8.342 1.00 62.12 N ATOM 984 CA SER A 64 15.030 -23.309 -8.927 1.00 24.42 C ATOM 985 C SER A 64 16.142 -22.308 -8.628 1.00 43.13 C ATOM 986 O SER A 64 15.915 -21.288 -7.978 1.00 51.43 O ATOM 987 CB SER A 64 14.881 -23.487 -10.439 1.00 11.30 C ATOM 988 OG SER A 64 13.575 -23.922 -10.775 1.00 62.42 O ATOM 0 H SER A 64 13.364 -22.045 -8.780 1.00 62.12 H new ATOM 0 HA SER A 64 15.298 -24.267 -8.480 1.00 24.42 H new ATOM 0 HB2 SER A 64 15.094 -22.544 -10.942 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.612 -24.212 -10.797 1.00 11.30 H new ATOM 0 HG SER A 64 12.988 -23.144 -10.878 1.00 62.42 H new ATOM 994 N ASP A 65 17.344 -22.609 -9.109 1.00 62.34 N ATOM 995 CA ASP A 65 18.492 -21.735 -8.896 1.00 23.42 C ATOM 996 C ASP A 65 18.359 -20.453 -9.712 1.00 74.13 C ATOM 997 O ASP A 65 18.750 -19.377 -9.261 1.00 54.05 O ATOM 998 CB ASP A 65 19.787 -22.460 -9.268 1.00 52.11 C ATOM 999 CG ASP A 65 20.565 -22.917 -8.050 1.00 70.32 C ATOM 1000 OD1 ASP A 65 19.944 -23.093 -6.980 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.795 -23.097 -8.166 1.00 71.50 O ATOM 0 H ASP A 65 17.548 -23.450 -9.648 1.00 62.34 H new ATOM 0 HA ASP A 65 18.524 -21.469 -7.839 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.551 -23.324 -9.890 1.00 52.11 H new ATOM 0 HB3 ASP A 65 20.412 -21.797 -9.867 1.00 52.11 H new ATOM 1006 N GLU A 66 17.806 -20.577 -10.914 1.00 21.54 N ATOM 1007 CA GLU A 66 17.625 -19.429 -11.794 1.00 3.53 C ATOM 1008 C GLU A 66 16.477 -18.549 -11.307 1.00 44.45 C ATOM 1009 O GLU A 66 16.576 -17.321 -11.312 1.00 51.24 O ATOM 1010 CB GLU A 66 17.356 -19.892 -13.226 1.00 13.04 C ATOM 1011 CG GLU A 66 16.112 -20.756 -13.364 1.00 65.22 C ATOM 1012 CD GLU A 66 16.114 -21.583 -14.634 1.00 70.22 C ATOM 1013 OE1 GLU A 66 16.183 -20.986 -15.729 1.00 23.41 O ATOM 1014 OE2 GLU A 66 16.045 -22.826 -14.534 1.00 75.31 O ATOM 0 H GLU A 66 17.476 -21.461 -11.301 1.00 21.54 H new ATOM 0 HA GLU A 66 18.543 -18.842 -11.778 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.254 -19.017 -13.868 1.00 13.04 H new ATOM 0 HB3 GLU A 66 18.219 -20.452 -13.586 1.00 13.04 H new ATOM 0 HG2 GLU A 66 16.038 -21.420 -12.503 1.00 65.22 H new ATOM 0 HG3 GLU A 66 15.228 -20.118 -13.352 1.00 65.22 H new ATOM 1021 N ASP A 67 15.388 -19.184 -10.889 1.00 50.34 N ATOM 1022 CA ASP A 67 14.221 -18.460 -10.399 1.00 4.40 C ATOM 1023 C ASP A 67 14.604 -17.517 -9.263 1.00 63.04 C ATOM 1024 O ASP A 67 14.010 -16.451 -9.102 1.00 63.01 O ATOM 1025 CB ASP A 67 13.148 -19.441 -9.925 1.00 31.35 C ATOM 1026 CG ASP A 67 12.340 -20.015 -11.072 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.035 -19.260 -12.018 1.00 23.01 O ATOM 1028 OD2 ASP A 67 12.012 -21.219 -11.023 1.00 3.12 O ATOM 0 H ASP A 67 15.289 -20.199 -10.880 1.00 50.34 H new ATOM 0 HA ASP A 67 13.821 -17.866 -11.221 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.621 -20.255 -9.375 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.478 -18.934 -9.230 1.00 31.35 H new ATOM 1033 N ALA A 68 15.598 -17.917 -8.478 1.00 50.52 N ATOM 1034 CA ALA A 68 16.061 -17.108 -7.358 1.00 14.12 C ATOM 1035 C ALA A 68 16.798 -15.865 -7.846 1.00 75.14 C ATOM 1036 O ALA A 68 16.893 -14.869 -7.130 1.00 20.01 O ATOM 1037 CB ALA A 68 16.958 -17.931 -6.446 1.00 45.43 C ATOM 0 H ALA A 68 16.099 -18.798 -8.597 1.00 50.52 H new ATOM 0 HA ALA A 68 15.188 -16.783 -6.793 1.00 14.12 H new ATOM 0 HB1 ALA A 68 17.296 -17.313 -5.614 1.00 45.43 H new ATOM 0 HB2 ALA A 68 16.400 -18.785 -6.061 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.821 -18.286 -7.009 1.00 45.43 H new ATOM 1043 N GLN A 69 17.316 -15.931 -9.068 1.00 33.43 N ATOM 1044 CA GLN A 69 18.046 -14.811 -9.650 1.00 50.50 C ATOM 1045 C GLN A 69 17.137 -13.597 -9.815 1.00 42.43 C ATOM 1046 O GLN A 69 17.610 -12.469 -9.956 1.00 20.02 O ATOM 1047 CB GLN A 69 18.636 -15.208 -11.005 1.00 42.55 C ATOM 1048 CG GLN A 69 20.075 -14.757 -11.196 1.00 42.41 C ATOM 1049 CD GLN A 69 21.061 -15.605 -10.417 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.018 -16.834 -10.468 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.958 -14.950 -9.687 1.00 70.11 N ATOM 0 H GLN A 69 17.244 -16.748 -9.674 1.00 33.43 H new ATOM 0 HA GLN A 69 18.857 -14.547 -8.972 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.586 -16.292 -11.110 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.022 -14.782 -11.798 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.326 -14.796 -12.256 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.170 -13.717 -10.884 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.958 -13.930 -9.673 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.646 -15.467 -9.140 1.00 70.11 H new ATOM 1060 N LYS A 70 15.830 -13.835 -9.794 1.00 74.45 N ATOM 1061 CA LYS A 70 14.854 -12.762 -9.939 1.00 1.53 C ATOM 1062 C LYS A 70 14.118 -12.514 -8.627 1.00 1.43 C ATOM 1063 O LYS A 70 13.145 -11.758 -8.582 1.00 51.12 O ATOM 1064 CB LYS A 70 13.850 -13.103 -11.043 1.00 34.22 C ATOM 1065 CG LYS A 70 12.977 -14.303 -10.720 1.00 63.44 C ATOM 1066 CD LYS A 70 11.678 -14.274 -11.507 1.00 33.11 C ATOM 1067 CE LYS A 70 11.193 -15.678 -11.836 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.836 -15.668 -12.448 1.00 44.31 N ATOM 0 H LYS A 70 15.422 -14.763 -9.678 1.00 74.45 H new ATOM 0 HA LYS A 70 15.390 -11.853 -10.212 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.212 -12.238 -11.223 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.392 -13.297 -11.969 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.520 -15.221 -10.946 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.757 -14.317 -9.653 1.00 63.44 H new ATOM 0 HD2 LYS A 70 10.915 -13.750 -10.932 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.823 -13.713 -12.430 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.896 -16.154 -12.520 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.177 -16.279 -10.927 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.542 -16.644 -12.657 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.160 -15.237 -11.786 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.857 -15.116 -13.329 1.00 44.31 H new ATOM 1082 N LEU A 71 14.588 -13.151 -7.560 1.00 13.15 N ATOM 1083 CA LEU A 71 13.975 -13.000 -6.246 1.00 10.42 C ATOM 1084 C LEU A 71 14.954 -12.372 -5.258 1.00 61.30 C ATOM 1085 O LEU A 71 15.678 -13.077 -4.555 1.00 61.23 O ATOM 1086 CB LEU A 71 13.502 -14.356 -5.721 1.00 23.55 C ATOM 1087 CG LEU A 71 12.476 -15.089 -6.586 1.00 21.50 C ATOM 1088 CD1 LEU A 71 12.217 -16.484 -6.040 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.179 -14.296 -6.661 1.00 12.53 C ATOM 0 H LEU A 71 15.393 -13.778 -7.580 1.00 13.15 H new ATOM 0 HA LEU A 71 13.115 -12.338 -6.348 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.373 -15.000 -5.600 1.00 23.55 H new ATOM 0 HB3 LEU A 71 13.074 -14.210 -4.729 1.00 23.55 H new ATOM 0 HG LEU A 71 12.881 -15.184 -7.594 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.484 -16.990 -6.668 1.00 21.03 H new ATOM 0 HD12 LEU A 71 13.147 -17.052 -6.037 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.833 -16.411 -5.022 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.460 -14.832 -7.280 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.771 -14.170 -5.658 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.376 -13.317 -7.098 1.00 12.53 H new ATOM 1101 N GLU A 72 14.969 -11.044 -5.210 1.00 14.33 N ATOM 1102 CA GLU A 72 15.857 -10.324 -4.306 1.00 73.52 C ATOM 1103 C GLU A 72 15.063 -9.430 -3.358 1.00 43.43 C ATOM 1104 O GLU A 72 15.409 -9.287 -2.185 1.00 73.12 O ATOM 1105 CB GLU A 72 16.856 -9.480 -5.103 1.00 41.34 C ATOM 1106 CG GLU A 72 16.223 -8.708 -6.249 1.00 21.33 C ATOM 1107 CD GLU A 72 16.078 -9.545 -7.506 1.00 53.11 C ATOM 1108 OE1 GLU A 72 16.960 -10.393 -7.758 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.084 -9.350 -8.235 1.00 42.31 O ATOM 0 H GLU A 72 14.377 -10.446 -5.786 1.00 14.33 H new ATOM 0 HA GLU A 72 16.402 -11.058 -3.713 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.344 -8.777 -4.428 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.633 -10.132 -5.501 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.241 -8.348 -5.941 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.830 -7.830 -6.470 1.00 21.33 H new ATOM 1116 N THR A 73 13.996 -8.830 -3.875 1.00 72.44 N ATOM 1117 CA THR A 73 13.152 -7.949 -3.077 1.00 4.34 C ATOM 1118 C THR A 73 11.947 -8.699 -2.519 1.00 12.00 C ATOM 1119 O THR A 73 11.553 -9.740 -3.045 1.00 42.34 O ATOM 1120 CB THR A 73 12.657 -6.746 -3.902 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.211 -7.185 -5.190 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.761 -5.713 -4.068 1.00 4.33 C ATOM 0 H THR A 73 13.695 -8.938 -4.844 1.00 72.44 H new ATOM 0 HA THR A 73 13.765 -7.586 -2.252 1.00 4.34 H new ATOM 0 HB THR A 73 11.826 -6.285 -3.368 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.897 -6.414 -5.707 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.388 -4.873 -4.654 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.078 -5.359 -3.087 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.609 -6.166 -4.582 1.00 4.33 H new ATOM 1130 N VAL A 74 11.365 -8.162 -1.452 1.00 44.25 N ATOM 1131 CA VAL A 74 10.203 -8.779 -0.824 1.00 71.10 C ATOM 1132 C VAL A 74 9.053 -8.920 -1.815 1.00 60.12 C ATOM 1133 O VAL A 74 8.527 -10.014 -2.020 1.00 22.51 O ATOM 1134 CB VAL A 74 9.722 -7.964 0.391 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.477 -8.591 0.996 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.830 -7.851 1.428 1.00 34.04 C ATOM 0 H VAL A 74 11.679 -7.301 -1.004 1.00 44.25 H new ATOM 0 HA VAL A 74 10.513 -9.769 -0.488 1.00 71.10 H new ATOM 0 HB VAL A 74 9.466 -6.959 0.054 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.152 -8.001 1.853 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.683 -8.615 0.250 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.702 -9.607 1.319 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.473 -7.272 2.280 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.119 -8.848 1.762 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.693 -7.352 0.986 1.00 34.04 H new ATOM 1146 N ASP A 75 8.666 -7.806 -2.426 1.00 22.54 N ATOM 1147 CA ASP A 75 7.578 -7.805 -3.397 1.00 40.14 C ATOM 1148 C ASP A 75 7.815 -8.854 -4.479 1.00 70.00 C ATOM 1149 O ASP A 75 6.891 -9.561 -4.885 1.00 42.53 O ATOM 1150 CB ASP A 75 7.436 -6.421 -4.034 1.00 63.23 C ATOM 1151 CG ASP A 75 6.083 -6.221 -4.688 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.795 -6.921 -5.682 1.00 1.32 O ATOM 1153 OD2 ASP A 75 5.312 -5.366 -4.206 1.00 23.41 O ATOM 0 H ASP A 75 9.089 -6.892 -2.266 1.00 22.54 H new ATOM 0 HA ASP A 75 6.655 -8.052 -2.872 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.584 -5.656 -3.272 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.220 -6.285 -4.779 1.00 63.23 H new ATOM 1158 N ASP A 76 9.056 -8.950 -4.942 1.00 53.01 N ATOM 1159 CA ASP A 76 9.414 -9.913 -5.978 1.00 32.13 C ATOM 1160 C ASP A 76 9.197 -11.342 -5.488 1.00 4.15 C ATOM 1161 O ASP A 76 8.569 -12.153 -6.169 1.00 73.03 O ATOM 1162 CB ASP A 76 10.871 -9.722 -6.401 1.00 73.52 C ATOM 1163 CG ASP A 76 11.037 -8.600 -7.407 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.180 -7.693 -7.433 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.027 -8.629 -8.169 1.00 14.20 O ATOM 0 H ASP A 76 9.832 -8.373 -4.617 1.00 53.01 H new ATOM 0 HA ASP A 76 8.769 -9.740 -6.839 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.478 -9.510 -5.521 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.247 -10.651 -6.831 1.00 73.52 H new ATOM 1170 N ILE A 77 9.722 -11.642 -4.304 1.00 33.41 N ATOM 1171 CA ILE A 77 9.586 -12.973 -3.725 1.00 42.01 C ATOM 1172 C ILE A 77 8.119 -13.346 -3.542 1.00 14.23 C ATOM 1173 O ILE A 77 7.661 -14.373 -4.042 1.00 4.43 O ATOM 1174 CB ILE A 77 10.303 -13.070 -2.366 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.791 -12.756 -2.525 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.110 -14.454 -1.763 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.417 -12.148 -1.289 1.00 0.20 C ATOM 0 H ILE A 77 10.245 -10.982 -3.728 1.00 33.41 H new ATOM 0 HA ILE A 77 10.050 -13.670 -4.422 1.00 42.01 H new ATOM 0 HB ILE A 77 9.867 -12.335 -1.689 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.322 -13.674 -2.777 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.922 -12.071 -3.363 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.623 -14.507 -0.803 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.046 -14.642 -1.618 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.523 -15.205 -2.437 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.473 -11.952 -1.475 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.911 -11.213 -1.047 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.318 -12.840 -0.453 1.00 0.20 H new ATOM 1189 N CYS A 78 7.386 -12.502 -2.822 1.00 61.25 N ATOM 1190 CA CYS A 78 5.969 -12.743 -2.573 1.00 2.14 C ATOM 1191 C CYS A 78 5.195 -12.842 -3.884 1.00 72.24 C ATOM 1192 O CYS A 78 4.241 -13.612 -3.997 1.00 42.05 O ATOM 1193 CB CYS A 78 5.385 -11.625 -1.707 1.00 33.40 C ATOM 1194 SG CYS A 78 3.881 -12.089 -0.819 1.00 42.35 S ATOM 0 H CYS A 78 7.749 -11.647 -2.401 1.00 61.25 H new ATOM 0 HA CYS A 78 5.875 -13.691 -2.044 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.138 -11.309 -0.985 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.169 -10.764 -2.340 1.00 33.40 H new ATOM 0 HG CYS A 78 3.190 -12.921 -1.540 1.00 42.35 H new ATOM 1200 N ARG A 79 5.613 -12.058 -4.872 1.00 42.12 N ATOM 1201 CA ARG A 79 4.958 -12.055 -6.174 1.00 32.51 C ATOM 1202 C ARG A 79 5.163 -13.388 -6.889 1.00 62.11 C ATOM 1203 O ARG A 79 4.247 -13.912 -7.522 1.00 54.33 O ATOM 1204 CB ARG A 79 5.496 -10.913 -7.039 1.00 34.14 C ATOM 1205 CG ARG A 79 4.905 -10.878 -8.438 1.00 33.33 C ATOM 1206 CD ARG A 79 3.981 -9.684 -8.623 1.00 43.34 C ATOM 1207 NE ARG A 79 3.915 -9.253 -10.016 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.828 -8.477 -10.589 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.872 -8.049 -9.891 1.00 41.13 N ATOM 1210 NH2 ARG A 79 4.699 -8.126 -11.863 1.00 72.00 N ATOM 0 H ARG A 79 6.402 -11.417 -4.795 1.00 42.12 H new ATOM 0 HA ARG A 79 3.890 -11.908 -6.014 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.290 -9.965 -6.543 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.580 -11.005 -7.114 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.709 -10.835 -9.173 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.353 -11.799 -8.624 1.00 33.33 H new ATOM 0 HD2 ARG A 79 2.981 -9.943 -8.276 1.00 43.34 H new ATOM 0 HD3 ARG A 79 4.329 -8.857 -8.004 1.00 43.34 H new ATOM 0 HE ARG A 79 3.125 -9.565 -10.580 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.975 -8.316 -8.912 1.00 41.13 H new ATOM 0 HH12 ARG A 79 6.572 -7.453 -10.333 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.898 -8.452 -12.403 1.00 72.00 H new ATOM 0 HH22 ARG A 79 5.401 -7.530 -12.301 1.00 72.00 H new ATOM 1224 N TYR A 80 6.371 -13.930 -6.782 1.00 65.34 N ATOM 1225 CA TYR A 80 6.698 -15.200 -7.420 1.00 50.23 C ATOM 1226 C TYR A 80 5.961 -16.353 -6.748 1.00 33.42 C ATOM 1227 O TYR A 80 5.485 -17.273 -7.414 1.00 3.40 O ATOM 1228 CB TYR A 80 8.207 -15.446 -7.370 1.00 55.12 C ATOM 1229 CG TYR A 80 8.612 -16.825 -7.840 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.618 -17.904 -6.964 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.988 -17.049 -9.158 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.987 -19.166 -7.389 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.357 -18.308 -9.592 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.356 -19.363 -8.703 1.00 53.44 C ATOM 1235 OH TYR A 80 9.724 -20.618 -9.130 1.00 12.11 O ATOM 0 H TYR A 80 7.140 -13.510 -6.260 1.00 65.34 H new ATOM 0 HA TYR A 80 6.379 -15.147 -8.461 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.709 -14.700 -7.986 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.556 -15.303 -6.347 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.330 -17.754 -5.934 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.992 -16.225 -9.856 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.986 -19.994 -6.696 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.644 -18.465 -10.621 1.00 4.04 H new ATOM 0 HH TYR A 80 9.722 -20.644 -10.110 1.00 12.11 H new ATOM 1245 N ILE A 81 5.870 -16.297 -5.424 1.00 75.45 N ATOM 1246 CA ILE A 81 5.190 -17.335 -4.660 1.00 44.21 C ATOM 1247 C ILE A 81 3.676 -17.238 -4.827 1.00 45.44 C ATOM 1248 O ILE A 81 3.007 -18.235 -5.097 1.00 63.42 O ATOM 1249 CB ILE A 81 5.535 -17.250 -3.161 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.044 -17.396 -2.955 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.782 -18.317 -2.382 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.484 -17.164 -1.526 1.00 20.45 C ATOM 0 H ILE A 81 6.259 -15.543 -4.858 1.00 75.45 H new ATOM 0 HA ILE A 81 5.537 -18.292 -5.051 1.00 44.21 H new ATOM 0 HB ILE A 81 5.229 -16.273 -2.787 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.350 -18.396 -3.263 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.561 -16.690 -3.605 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.037 -18.243 -1.325 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.709 -18.170 -2.508 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.059 -19.303 -2.754 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.565 -17.284 -1.454 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.210 -16.154 -1.220 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.995 -17.886 -0.873 1.00 20.45 H new ATOM 1264 N ALA A 82 3.146 -16.030 -4.667 1.00 24.44 N ATOM 1265 CA ALA A 82 1.712 -15.802 -4.804 1.00 74.32 C ATOM 1266 C ALA A 82 1.228 -16.174 -6.202 1.00 1.20 C ATOM 1267 O ALA A 82 0.201 -16.835 -6.359 1.00 72.43 O ATOM 1268 CB ALA A 82 1.377 -14.351 -4.497 1.00 50.42 C ATOM 0 H ALA A 82 3.687 -15.195 -4.443 1.00 24.44 H new ATOM 0 HA ALA A 82 1.197 -16.442 -4.087 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.303 -14.195 -4.603 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.679 -14.116 -3.476 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.909 -13.700 -5.191 1.00 50.42 H new ATOM 1274 N SER A 83 1.975 -15.746 -7.215 1.00 34.12 N ATOM 1275 CA SER A 83 1.619 -16.030 -8.600 1.00 43.14 C ATOM 1276 C SER A 83 1.439 -17.529 -8.818 1.00 54.13 C ATOM 1277 O SER A 83 0.698 -17.956 -9.704 1.00 22.31 O ATOM 1278 CB SER A 83 2.694 -15.492 -9.546 1.00 1.43 C ATOM 1279 OG SER A 83 2.362 -15.755 -10.898 1.00 10.43 O ATOM 0 H SER A 83 2.830 -15.202 -7.102 1.00 34.12 H new ATOM 0 HA SER A 83 0.673 -15.532 -8.815 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.808 -14.418 -9.399 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.654 -15.950 -9.308 1.00 1.43 H new ATOM 0 HG SER A 83 3.064 -15.400 -11.482 1.00 10.43 H new ATOM 1285 N LYS A 84 2.122 -18.326 -8.002 1.00 42.25 N ATOM 1286 CA LYS A 84 2.038 -19.778 -8.102 1.00 0.24 C ATOM 1287 C LYS A 84 0.768 -20.297 -7.434 1.00 65.15 C ATOM 1288 O LYS A 84 0.143 -21.242 -7.916 1.00 0.04 O ATOM 1289 CB LYS A 84 3.267 -20.426 -7.460 1.00 70.24 C ATOM 1290 CG LYS A 84 4.576 -20.042 -8.128 1.00 52.41 C ATOM 1291 CD LYS A 84 4.932 -21.005 -9.249 1.00 32.14 C ATOM 1292 CE LYS A 84 6.409 -20.921 -9.606 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.859 -22.108 -10.385 1.00 51.04 N ATOM 0 H LYS A 84 2.740 -17.990 -7.264 1.00 42.25 H new ATOM 0 HA LYS A 84 2.006 -20.043 -9.159 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.309 -20.143 -6.408 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.156 -21.510 -7.494 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.499 -19.030 -8.526 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.375 -20.033 -7.387 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.687 -22.023 -8.947 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.330 -20.779 -10.129 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.592 -20.016 -10.185 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.999 -20.840 -8.693 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.870 -22.013 -10.609 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.708 -22.970 -9.823 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.313 -22.171 -11.268 1.00 51.04 H new