USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 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 43 ASN : amide:sc= 1.48 K(o=-0.94,f=-6.6) USER MOD Set 1.2: A 59 SER OG : rot -27:sc= 0.816 USER MOD Set 1.3: A 82 HIS : no HE2:sc= -3.24! C(o=-0.94!,f=-21!) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.589 K(o=1.4,f=0.12) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -158:sc= 0.848 (180deg=0.564) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.5 K(o=1.1,f=-5.1) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -179:sc= 0.605 (180deg=-0.0541) USER MOD Single : A 13 SER OG : rot 180:sc= -0.849 USER MOD Single : A 14 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.68) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.201 (180deg=-1.11) USER MOD Single : A 25 THR OG1 : rot -70:sc= -0.911! USER MOD Single : A 27 HIS : no HD1:sc= 0.366 K(o=0.59,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -1.92! (180deg=-3.72!) USER MOD Single : A 30 ASN : amide:sc= 0.263 X(o=0.26,f=-0.012) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.14) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -160:sc= -0.183 (180deg=-0.829) USER MOD Single : A 58 ASN : amide:sc= -0.283 K(o=-0.28,f=-3!) USER MOD Single : A 62 GLN : amide:sc= 1.13 K(o=1.1,f=-0.075) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.139) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc=-0.00999 (180deg=-0.175) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 37:sc= 0.985 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.543 -6.921 -1.340 1.00 62.01 N ATOM 90 CA GLU A 7 15.621 -6.708 -0.218 1.00 33.32 C ATOM 91 C GLU A 7 14.949 -5.325 -0.267 1.00 73.52 C ATOM 92 O GLU A 7 15.620 -4.288 -0.244 1.00 20.45 O ATOM 93 CB GLU A 7 16.345 -6.909 1.122 1.00 74.45 C ATOM 94 CG GLU A 7 16.970 -8.294 1.271 1.00 62.00 C ATOM 95 CD GLU A 7 17.366 -8.626 2.704 1.00 34.35 C ATOM 96 OE1 GLU A 7 16.503 -9.125 3.463 1.00 45.41 O ATOM 97 OE2 GLU A 7 18.540 -8.422 3.071 1.00 3.43 O ATOM 0 HA GLU A 7 14.830 -7.452 -0.309 1.00 33.32 H new ATOM 0 HB2 GLU A 7 17.125 -6.154 1.222 1.00 74.45 H new ATOM 0 HB3 GLU A 7 15.638 -6.748 1.936 1.00 74.45 H new ATOM 0 HG2 GLU A 7 16.264 -9.044 0.914 1.00 62.00 H new ATOM 0 HG3 GLU A 7 17.852 -8.357 0.634 1.00 62.00 H new ATOM 104 N VAL A 8 13.616 -5.322 -0.333 1.00 44.25 N ATOM 105 CA VAL A 8 12.833 -4.079 -0.389 1.00 42.20 C ATOM 106 C VAL A 8 11.680 -4.063 0.636 1.00 75.11 C ATOM 107 O VAL A 8 11.237 -5.112 1.118 1.00 75.30 O ATOM 108 CB VAL A 8 12.247 -3.844 -1.807 1.00 55.41 C ATOM 109 CG1 VAL A 8 13.362 -3.631 -2.827 1.00 45.23 C ATOM 110 CG2 VAL A 8 11.344 -5.006 -2.225 1.00 21.52 C ATOM 0 H VAL A 8 13.050 -6.171 -0.349 1.00 44.25 H new ATOM 0 HA VAL A 8 13.528 -3.277 -0.141 1.00 42.20 H new ATOM 0 HB VAL A 8 11.640 -2.939 -1.774 1.00 55.41 H new ATOM 0 HG11 VAL A 8 12.927 -3.468 -3.813 1.00 45.23 H new ATOM 0 HG12 VAL A 8 13.953 -2.760 -2.543 1.00 45.23 H new ATOM 0 HG13 VAL A 8 14.003 -4.512 -2.854 1.00 45.23 H new ATOM 0 HG21 VAL A 8 10.946 -4.817 -3.222 1.00 21.52 H new ATOM 0 HG22 VAL A 8 11.921 -5.930 -2.234 1.00 21.52 H new ATOM 0 HG23 VAL A 8 10.520 -5.100 -1.517 1.00 21.52 H new ATOM 120 N VAL A 9 11.202 -2.859 0.958 1.00 5.13 N ATOM 121 CA VAL A 9 10.080 -2.666 1.893 1.00 12.51 C ATOM 122 C VAL A 9 9.029 -1.707 1.309 1.00 4.24 C ATOM 123 O VAL A 9 9.367 -0.771 0.577 1.00 65.24 O ATOM 124 CB VAL A 9 10.558 -2.107 3.260 1.00 3.22 C ATOM 125 CG1 VAL A 9 11.415 -3.129 3.997 1.00 22.33 C ATOM 126 CG2 VAL A 9 11.323 -0.795 3.075 1.00 14.34 C ATOM 0 H VAL A 9 11.578 -1.989 0.581 1.00 5.13 H new ATOM 0 HA VAL A 9 9.635 -3.649 2.047 1.00 12.51 H new ATOM 0 HB VAL A 9 9.675 -1.904 3.866 1.00 3.22 H new ATOM 0 HG11 VAL A 9 11.737 -2.713 4.952 1.00 22.33 H new ATOM 0 HG12 VAL A 9 10.832 -4.033 4.173 1.00 22.33 H new ATOM 0 HG13 VAL A 9 12.290 -3.373 3.394 1.00 22.33 H new ATOM 0 HG21 VAL A 9 11.648 -0.423 4.047 1.00 14.34 H new ATOM 0 HG22 VAL A 9 12.194 -0.968 2.443 1.00 14.34 H new ATOM 0 HG23 VAL A 9 10.673 -0.058 2.603 1.00 14.34 H new ATOM 136 N ALA A 10 7.761 -1.941 1.644 1.00 43.01 N ATOM 137 CA ALA A 10 6.660 -1.096 1.166 1.00 31.35 C ATOM 138 C ALA A 10 6.280 -0.031 2.208 1.00 13.33 C ATOM 139 O ALA A 10 5.813 -0.362 3.301 1.00 33.33 O ATOM 140 CB ALA A 10 5.449 -1.957 0.824 1.00 3.05 C ATOM 0 H ALA A 10 7.467 -2.710 2.246 1.00 43.01 H new ATOM 0 HA ALA A 10 6.996 -0.579 0.267 1.00 31.35 H new ATOM 0 HB1 ALA A 10 4.638 -1.320 0.470 1.00 3.05 H new ATOM 0 HB2 ALA A 10 5.718 -2.669 0.044 1.00 3.05 H new ATOM 0 HB3 ALA A 10 5.124 -2.498 1.713 1.00 3.05 H new ATOM 146 N ILE A 11 6.485 1.241 1.869 1.00 53.43 N ATOM 147 CA ILE A 11 6.199 2.349 2.789 1.00 21.32 C ATOM 148 C ILE A 11 4.841 3.006 2.473 1.00 43.21 C ATOM 149 O ILE A 11 4.711 3.751 1.500 1.00 65.31 O ATOM 150 CB ILE A 11 7.309 3.436 2.721 1.00 63.03 C ATOM 151 CG1 ILE A 11 8.711 2.794 2.729 1.00 60.12 C ATOM 152 CG2 ILE A 11 7.160 4.429 3.877 1.00 64.43 C ATOM 153 CD1 ILE A 11 8.985 1.897 3.918 1.00 54.22 C ATOM 0 H ILE A 11 6.849 1.534 0.962 1.00 53.43 H new ATOM 0 HA ILE A 11 6.167 1.924 3.792 1.00 21.32 H new ATOM 0 HB ILE A 11 7.195 3.980 1.784 1.00 63.03 H new ATOM 0 HG12 ILE A 11 8.836 2.213 1.815 1.00 60.12 H new ATOM 0 HG13 ILE A 11 9.459 3.586 2.708 1.00 60.12 H new ATOM 0 HG21 ILE A 11 7.945 5.182 3.813 1.00 64.43 H new ATOM 0 HG22 ILE A 11 6.186 4.914 3.817 1.00 64.43 H new ATOM 0 HG23 ILE A 11 7.243 3.898 4.825 1.00 64.43 H new ATOM 0 HD11 ILE A 11 9.993 1.489 3.841 1.00 54.22 H new ATOM 0 HD12 ILE A 11 8.896 2.475 4.838 1.00 54.22 H new ATOM 0 HD13 ILE A 11 8.263 1.080 3.932 1.00 54.22 H new ATOM 165 N ILE A 12 3.836 2.724 3.299 1.00 11.51 N ATOM 166 CA ILE A 12 2.493 3.277 3.101 1.00 50.23 C ATOM 167 C ILE A 12 2.277 4.539 3.957 1.00 11.42 C ATOM 168 O ILE A 12 2.358 4.498 5.190 1.00 43.22 O ATOM 169 CB ILE A 12 1.383 2.240 3.429 1.00 50.31 C ATOM 170 CG1 ILE A 12 1.472 1.007 2.502 1.00 52.11 C ATOM 171 CG2 ILE A 12 0.001 2.882 3.323 1.00 31.01 C ATOM 172 CD1 ILE A 12 2.627 0.073 2.802 1.00 61.33 C ATOM 0 H ILE A 12 3.924 2.116 4.113 1.00 11.51 H new ATOM 0 HA ILE A 12 2.421 3.540 2.046 1.00 50.23 H new ATOM 0 HB ILE A 12 1.538 1.903 4.454 1.00 50.31 H new ATOM 0 HG12 ILE A 12 0.540 0.446 2.575 1.00 52.11 H new ATOM 0 HG13 ILE A 12 1.558 1.350 1.471 1.00 52.11 H new ATOM 0 HG21 ILE A 12 -0.763 2.141 3.556 1.00 31.01 H new ATOM 0 HG22 ILE A 12 -0.070 3.711 4.028 1.00 31.01 H new ATOM 0 HG23 ILE A 12 -0.151 3.253 2.310 1.00 31.01 H new ATOM 0 HD11 ILE A 12 2.610 -0.763 2.103 1.00 61.33 H new ATOM 0 HD12 ILE A 12 3.568 0.613 2.699 1.00 61.33 H new ATOM 0 HD13 ILE A 12 2.535 -0.304 3.820 1.00 61.33 H new ATOM 184 N SER A 13 1.994 5.657 3.291 1.00 32.44 N ATOM 185 CA SER A 13 1.765 6.941 3.972 1.00 70.33 C ATOM 186 C SER A 13 0.378 7.509 3.640 1.00 2.53 C ATOM 187 O SER A 13 -0.109 7.366 2.522 1.00 32.11 O ATOM 188 CB SER A 13 2.843 7.957 3.568 1.00 45.23 C ATOM 189 OG SER A 13 4.142 7.480 3.876 1.00 3.35 O ATOM 0 H SER A 13 1.916 5.705 2.275 1.00 32.44 H new ATOM 0 HA SER A 13 1.817 6.760 5.046 1.00 70.33 H new ATOM 0 HB2 SER A 13 2.772 8.160 2.499 1.00 45.23 H new ATOM 0 HB3 SER A 13 2.668 8.901 4.084 1.00 45.23 H new ATOM 0 HG SER A 13 4.808 8.147 3.606 1.00 3.35 H new ATOM 195 N GLN A 14 -0.247 8.158 4.616 1.00 5.42 N ATOM 196 CA GLN A 14 -1.569 8.768 4.424 1.00 24.42 C ATOM 197 C GLN A 14 -1.613 10.177 5.039 1.00 42.40 C ATOM 198 O GLN A 14 -1.018 10.418 6.089 1.00 43.14 O ATOM 199 CB GLN A 14 -2.650 7.887 5.063 1.00 73.41 C ATOM 200 CG GLN A 14 -4.074 8.378 4.826 1.00 11.40 C ATOM 201 CD GLN A 14 -5.110 7.548 5.561 1.00 23.14 C ATOM 202 OE1 GLN A 14 -4.852 7.019 6.640 1.00 52.13 O ATOM 203 NE2 GLN A 14 -6.283 7.411 4.979 1.00 30.04 N ATOM 0 H GLN A 14 0.137 8.279 5.553 1.00 5.42 H new ATOM 0 HA GLN A 14 -1.758 8.851 3.354 1.00 24.42 H new ATOM 0 HB2 GLN A 14 -2.556 6.874 4.671 1.00 73.41 H new ATOM 0 HB3 GLN A 14 -2.470 7.831 6.137 1.00 73.41 H new ATOM 0 HG2 GLN A 14 -4.154 9.417 5.146 1.00 11.40 H new ATOM 0 HG3 GLN A 14 -4.288 8.356 3.758 1.00 11.40 H new ATOM 0 HE21 GLN A 14 -6.464 7.864 4.083 1.00 30.04 H new ATOM 0 HE22 GLN A 14 -7.011 6.852 5.424 1.00 30.04 H new ATOM 212 N ASN A 15 -2.298 11.109 4.366 1.00 64.32 N ATOM 213 CA ASN A 15 -2.415 12.500 4.842 1.00 31.14 C ATOM 214 C ASN A 15 -1.035 13.177 4.992 1.00 42.12 C ATOM 215 O ASN A 15 -0.905 14.205 5.658 1.00 10.04 O ATOM 216 CB ASN A 15 -3.175 12.545 6.181 1.00 63.22 C ATOM 217 CG ASN A 15 -4.596 12.005 6.077 1.00 31.12 C ATOM 218 OD1 ASN A 15 -5.263 12.131 5.054 1.00 11.41 O ATOM 219 ND2 ASN A 15 -5.082 11.411 7.149 1.00 20.01 N ATOM 0 H ASN A 15 -2.783 10.928 3.487 1.00 64.32 H new ATOM 0 HA ASN A 15 -2.975 13.056 4.090 1.00 31.14 H new ATOM 0 HB2 ASN A 15 -2.626 11.967 6.924 1.00 63.22 H new ATOM 0 HB3 ASN A 15 -3.208 13.574 6.539 1.00 63.22 H new ATOM 0 HD21 ASN A 15 -6.033 11.043 7.141 1.00 20.01 H new ATOM 0 HD22 ASN A 15 -4.507 11.319 7.986 1.00 20.01 H new ATOM 226 N GLY A 16 -0.011 12.597 4.361 1.00 61.41 N ATOM 227 CA GLY A 16 1.339 13.156 4.425 1.00 61.24 C ATOM 228 C GLY A 16 2.240 12.471 5.456 1.00 24.52 C ATOM 229 O GLY A 16 3.448 12.717 5.491 1.00 40.30 O ATOM 0 H GLY A 16 -0.091 11.746 3.804 1.00 61.41 H new ATOM 0 HA2 GLY A 16 1.802 13.078 3.441 1.00 61.24 H new ATOM 0 HA3 GLY A 16 1.272 14.218 4.662 1.00 61.24 H new ATOM 233 N LYS A 17 1.664 11.612 6.296 1.00 41.51 N ATOM 234 CA LYS A 17 2.425 10.924 7.351 1.00 53.52 C ATOM 235 C LYS A 17 2.442 9.399 7.137 1.00 64.22 C ATOM 236 O LYS A 17 1.468 8.818 6.662 1.00 42.40 O ATOM 237 CB LYS A 17 1.825 11.256 8.725 1.00 51.04 C ATOM 238 CG LYS A 17 0.410 10.713 8.932 1.00 12.41 C ATOM 239 CD LYS A 17 -0.195 11.178 10.253 1.00 62.41 C ATOM 240 CE LYS A 17 -1.516 10.478 10.550 1.00 14.02 C ATOM 241 NZ LYS A 17 -1.343 9.009 10.734 1.00 25.33 N ATOM 0 H LYS A 17 0.673 11.372 6.271 1.00 41.51 H new ATOM 0 HA LYS A 17 3.456 11.276 7.306 1.00 53.52 H new ATOM 0 HB2 LYS A 17 2.475 10.853 9.501 1.00 51.04 H new ATOM 0 HB3 LYS A 17 1.810 12.338 8.852 1.00 51.04 H new ATOM 0 HG2 LYS A 17 -0.226 11.037 8.108 1.00 12.41 H new ATOM 0 HG3 LYS A 17 0.433 9.624 8.908 1.00 12.41 H new ATOM 0 HD2 LYS A 17 0.509 10.985 11.063 1.00 62.41 H new ATOM 0 HD3 LYS A 17 -0.354 12.256 10.220 1.00 62.41 H new ATOM 0 HE2 LYS A 17 -1.958 10.906 11.450 1.00 14.02 H new ATOM 0 HE3 LYS A 17 -2.214 10.661 9.733 1.00 14.02 H new ATOM 0 HZ1 LYS A 17 -1.881 8.502 10.003 1.00 25.33 H new ATOM 0 HZ2 LYS A 17 -0.335 8.765 10.654 1.00 25.33 H new ATOM 0 HZ3 LYS A 17 -1.692 8.733 11.674 1.00 25.33 H new ATOM 255 N VAL A 18 3.548 8.752 7.498 1.00 75.20 N ATOM 256 CA VAL A 18 3.675 7.296 7.341 1.00 20.33 C ATOM 257 C VAL A 18 2.800 6.549 8.363 1.00 21.44 C ATOM 258 O VAL A 18 2.868 6.810 9.568 1.00 65.51 O ATOM 259 CB VAL A 18 5.145 6.837 7.493 1.00 11.33 C ATOM 260 CG1 VAL A 18 5.268 5.325 7.298 1.00 60.24 C ATOM 261 CG2 VAL A 18 6.046 7.588 6.514 1.00 42.11 C ATOM 0 H VAL A 18 4.368 9.206 7.900 1.00 75.20 H new ATOM 0 HA VAL A 18 3.333 7.055 6.334 1.00 20.33 H new ATOM 0 HB VAL A 18 5.472 7.071 8.506 1.00 11.33 H new ATOM 0 HG11 VAL A 18 6.311 5.027 7.410 1.00 60.24 H new ATOM 0 HG12 VAL A 18 4.662 4.811 8.044 1.00 60.24 H new ATOM 0 HG13 VAL A 18 4.919 5.057 6.301 1.00 60.24 H new ATOM 0 HG21 VAL A 18 7.076 7.252 6.636 1.00 42.11 H new ATOM 0 HG22 VAL A 18 5.718 7.391 5.493 1.00 42.11 H new ATOM 0 HG23 VAL A 18 5.988 8.658 6.713 1.00 42.11 H new ATOM 271 N ILE A 19 1.979 5.616 7.883 1.00 75.13 N ATOM 272 CA ILE A 19 1.054 4.881 8.756 1.00 10.44 C ATOM 273 C ILE A 19 1.422 3.394 8.890 1.00 1.13 C ATOM 274 O ILE A 19 1.104 2.763 9.899 1.00 54.30 O ATOM 275 CB ILE A 19 -0.411 5.007 8.265 1.00 74.14 C ATOM 276 CG1 ILE A 19 -0.559 4.451 6.839 1.00 1.42 C ATOM 277 CG2 ILE A 19 -0.868 6.464 8.329 1.00 14.53 C ATOM 278 CD1 ILE A 19 -1.979 4.498 6.313 1.00 52.35 C ATOM 0 H ILE A 19 1.932 5.349 6.900 1.00 75.13 H new ATOM 0 HA ILE A 19 1.145 5.341 9.740 1.00 10.44 H new ATOM 0 HB ILE A 19 -1.048 4.416 8.924 1.00 74.14 H new ATOM 0 HG12 ILE A 19 0.087 5.018 6.168 1.00 1.42 H new ATOM 0 HG13 ILE A 19 -0.208 3.419 6.822 1.00 1.42 H new ATOM 0 HG21 ILE A 19 -1.898 6.538 7.981 1.00 14.53 H new ATOM 0 HG22 ILE A 19 -0.806 6.820 9.357 1.00 14.53 H new ATOM 0 HG23 ILE A 19 -0.226 7.075 7.694 1.00 14.53 H new ATOM 0 HD11 ILE A 19 -2.006 4.090 5.303 1.00 52.35 H new ATOM 0 HD12 ILE A 19 -2.627 3.907 6.961 1.00 52.35 H new ATOM 0 HD13 ILE A 19 -2.327 5.531 6.297 1.00 52.35 H new ATOM 290 N ARG A 20 2.093 2.830 7.882 1.00 11.14 N ATOM 291 CA ARG A 20 2.461 1.408 7.913 1.00 50.24 C ATOM 292 C ARG A 20 3.622 1.084 6.949 1.00 11.24 C ATOM 293 O ARG A 20 3.614 1.501 5.793 1.00 5.10 O ATOM 294 CB ARG A 20 1.236 0.542 7.564 1.00 64.53 C ATOM 295 CG ARG A 20 1.449 -0.949 7.807 1.00 22.35 C ATOM 296 CD ARG A 20 1.535 -1.279 9.296 1.00 33.42 C ATOM 297 NE ARG A 20 0.239 -1.144 9.960 1.00 31.11 N ATOM 298 CZ ARG A 20 0.075 -0.734 11.190 1.00 70.53 C ATOM 299 NH1 ARG A 20 1.085 -0.325 11.897 1.00 33.53 N ATOM 300 NH2 ARG A 20 -1.112 -0.711 11.701 1.00 55.41 N ATOM 0 H ARG A 20 2.391 3.327 7.043 1.00 11.14 H new ATOM 0 HA ARG A 20 2.801 1.181 8.923 1.00 50.24 H new ATOM 0 HB2 ARG A 20 0.384 0.879 8.154 1.00 64.53 H new ATOM 0 HB3 ARG A 20 0.979 0.697 6.516 1.00 64.53 H new ATOM 0 HG2 ARG A 20 0.630 -1.510 7.358 1.00 22.35 H new ATOM 0 HG3 ARG A 20 2.365 -1.270 7.311 1.00 22.35 H new ATOM 0 HD2 ARG A 20 1.903 -2.297 9.422 1.00 33.42 H new ATOM 0 HD3 ARG A 20 2.258 -0.618 9.773 1.00 33.42 H new ATOM 0 HE ARG A 20 -0.595 -1.387 9.426 1.00 31.11 H new ATOM 0 HH11 ARG A 20 2.022 -0.321 11.493 1.00 33.53 H new ATOM 0 HH12 ARG A 20 0.941 -0.008 12.856 1.00 33.53 H new ATOM 0 HH21 ARG A 20 -1.913 -1.012 11.145 1.00 55.41 H new ATOM 0 HH22 ARG A 20 -1.248 -0.392 12.660 1.00 55.41 H new ATOM 314 N GLU A 21 4.613 0.334 7.436 1.00 55.01 N ATOM 315 CA GLU A 21 5.755 -0.100 6.608 1.00 75.31 C ATOM 316 C GLU A 21 5.909 -1.636 6.648 1.00 50.42 C ATOM 317 O GLU A 21 6.188 -2.213 7.701 1.00 73.40 O ATOM 318 CB GLU A 21 7.049 0.578 7.100 1.00 64.25 C ATOM 319 CG GLU A 21 6.997 2.108 7.059 1.00 32.23 C ATOM 320 CD GLU A 21 8.254 2.771 7.614 1.00 70.41 C ATOM 321 OE1 GLU A 21 8.372 2.900 8.851 1.00 21.54 O ATOM 322 OE2 GLU A 21 9.126 3.175 6.820 1.00 20.22 O ATOM 0 H GLU A 21 4.653 0.010 8.402 1.00 55.01 H new ATOM 0 HA GLU A 21 5.567 0.197 5.576 1.00 75.31 H new ATOM 0 HB2 GLU A 21 7.250 0.258 8.122 1.00 64.25 H new ATOM 0 HB3 GLU A 21 7.883 0.235 6.488 1.00 64.25 H new ATOM 0 HG2 GLU A 21 6.849 2.432 6.029 1.00 32.23 H new ATOM 0 HG3 GLU A 21 6.133 2.450 7.628 1.00 32.23 H new ATOM 329 N ILE A 22 5.724 -2.296 5.500 1.00 74.41 N ATOM 330 CA ILE A 22 5.754 -3.769 5.430 1.00 23.40 C ATOM 331 C ILE A 22 7.070 -4.288 4.814 1.00 42.41 C ATOM 332 O ILE A 22 7.485 -3.833 3.746 1.00 41.43 O ATOM 333 CB ILE A 22 4.562 -4.337 4.595 1.00 22.43 C ATOM 334 CG1 ILE A 22 3.205 -4.027 5.260 1.00 1.41 C ATOM 335 CG2 ILE A 22 4.715 -5.844 4.372 1.00 53.34 C ATOM 336 CD1 ILE A 22 2.784 -2.578 5.155 1.00 54.43 C ATOM 0 H ILE A 22 5.552 -1.838 4.605 1.00 74.41 H new ATOM 0 HA ILE A 22 5.673 -4.116 6.460 1.00 23.40 H new ATOM 0 HB ILE A 22 4.582 -3.840 3.625 1.00 22.43 H new ATOM 0 HG12 ILE A 22 2.437 -4.652 4.803 1.00 1.41 H new ATOM 0 HG13 ILE A 22 3.256 -4.304 6.313 1.00 1.41 H new ATOM 0 HG21 ILE A 22 3.872 -6.213 3.788 1.00 53.34 H new ATOM 0 HG22 ILE A 22 5.642 -6.040 3.834 1.00 53.34 H new ATOM 0 HG23 ILE A 22 4.740 -6.354 5.335 1.00 53.34 H new ATOM 0 HD11 ILE A 22 1.821 -2.442 5.647 1.00 54.43 H new ATOM 0 HD12 ILE A 22 3.530 -1.947 5.638 1.00 54.43 H new ATOM 0 HD13 ILE A 22 2.698 -2.299 4.105 1.00 54.43 H new ATOM 348 N PRO A 23 7.743 -5.253 5.479 1.00 53.44 N ATOM 349 CA PRO A 23 8.910 -5.940 4.902 1.00 71.45 C ATOM 350 C PRO A 23 8.509 -6.956 3.817 1.00 5.22 C ATOM 351 O PRO A 23 7.880 -7.977 4.107 1.00 51.21 O ATOM 352 CB PRO A 23 9.535 -6.641 6.117 1.00 41.43 C ATOM 353 CG PRO A 23 8.389 -6.884 7.043 1.00 64.22 C ATOM 354 CD PRO A 23 7.438 -5.731 6.844 1.00 0.24 C ATOM 0 HA PRO A 23 9.591 -5.255 4.398 1.00 71.45 H new ATOM 0 HB2 PRO A 23 10.018 -7.575 5.830 1.00 41.43 H new ATOM 0 HB3 PRO A 23 10.298 -6.018 6.585 1.00 41.43 H new ATOM 0 HG2 PRO A 23 7.902 -7.833 6.820 1.00 64.22 H new ATOM 0 HG3 PRO A 23 8.728 -6.935 8.078 1.00 64.22 H new ATOM 0 HD2 PRO A 23 6.399 -6.049 6.933 1.00 0.24 H new ATOM 0 HD3 PRO A 23 7.597 -4.949 7.586 1.00 0.24 H new ATOM 362 N LEU A 24 8.860 -6.662 2.566 1.00 2.11 N ATOM 363 CA LEU A 24 8.466 -7.506 1.431 1.00 13.41 C ATOM 364 C LEU A 24 9.396 -8.720 1.274 1.00 33.11 C ATOM 365 O LEU A 24 8.965 -9.868 1.390 1.00 5.42 O ATOM 366 CB LEU A 24 8.460 -6.673 0.140 1.00 21.43 C ATOM 367 CG LEU A 24 7.518 -5.453 0.146 1.00 51.40 C ATOM 368 CD1 LEU A 24 7.607 -4.694 -1.176 1.00 23.23 C ATOM 369 CD2 LEU A 24 6.076 -5.876 0.426 1.00 34.24 C ATOM 0 H LEU A 24 9.416 -5.847 2.309 1.00 2.11 H new ATOM 0 HA LEU A 24 7.462 -7.884 1.627 1.00 13.41 H new ATOM 0 HB2 LEU A 24 9.475 -6.326 -0.053 1.00 21.43 H new ATOM 0 HB3 LEU A 24 8.181 -7.322 -0.690 1.00 21.43 H new ATOM 0 HG LEU A 24 7.838 -4.786 0.947 1.00 51.40 H new ATOM 0 HD11 LEU A 24 6.934 -3.837 -1.150 1.00 23.23 H new ATOM 0 HD12 LEU A 24 8.629 -4.348 -1.329 1.00 23.23 H new ATOM 0 HD13 LEU A 24 7.321 -5.354 -1.995 1.00 23.23 H new ATOM 0 HD21 LEU A 24 5.432 -4.997 0.425 1.00 34.24 H new ATOM 0 HD22 LEU A 24 5.744 -6.570 -0.346 1.00 34.24 H new ATOM 0 HD23 LEU A 24 6.022 -6.364 1.399 1.00 34.24 H new ATOM 381 N THR A 25 10.676 -8.463 1.017 1.00 32.10 N ATOM 382 CA THR A 25 11.649 -9.542 0.791 1.00 72.54 C ATOM 383 C THR A 25 11.820 -10.433 2.029 1.00 32.53 C ATOM 384 O THR A 25 12.241 -9.970 3.091 1.00 51.33 O ATOM 385 CB THR A 25 13.026 -8.983 0.377 1.00 51.44 C ATOM 386 OG1 THR A 25 12.878 -8.137 -0.774 1.00 42.51 O ATOM 387 CG2 THR A 25 14.013 -10.107 0.057 1.00 31.55 C ATOM 0 H THR A 25 11.068 -7.523 0.959 1.00 32.10 H new ATOM 0 HA THR A 25 11.247 -10.147 -0.021 1.00 72.54 H new ATOM 0 HB THR A 25 13.422 -8.409 1.215 1.00 51.44 H new ATOM 0 HG1 THR A 25 12.651 -8.684 -1.555 1.00 42.51 H new ATOM 0 HG21 THR A 25 14.973 -9.678 -0.231 1.00 31.55 H new ATOM 0 HG22 THR A 25 14.146 -10.736 0.937 1.00 31.55 H new ATOM 0 HG23 THR A 25 13.624 -10.710 -0.764 1.00 31.55 H new ATOM 395 N GLY A 26 11.496 -11.717 1.878 1.00 54.42 N ATOM 396 CA GLY A 26 11.565 -12.656 2.996 1.00 61.32 C ATOM 397 C GLY A 26 10.195 -12.967 3.593 1.00 1.32 C ATOM 398 O GLY A 26 10.034 -13.937 4.335 1.00 15.01 O ATOM 0 H GLY A 26 11.185 -12.128 0.998 1.00 54.42 H new ATOM 0 HA2 GLY A 26 12.028 -13.583 2.658 1.00 61.32 H new ATOM 0 HA3 GLY A 26 12.209 -12.243 3.772 1.00 61.32 H new ATOM 402 N HIS A 27 9.205 -12.141 3.268 1.00 75.21 N ATOM 403 CA HIS A 27 7.839 -12.340 3.751 1.00 25.54 C ATOM 404 C HIS A 27 7.135 -13.460 2.966 1.00 31.05 C ATOM 405 O HIS A 27 6.349 -13.202 2.051 1.00 43.13 O ATOM 406 CB HIS A 27 7.053 -11.027 3.637 1.00 45.24 C ATOM 407 CG HIS A 27 5.652 -11.103 4.163 1.00 73.22 C ATOM 408 ND1 HIS A 27 4.591 -11.566 3.415 1.00 21.23 N ATOM 409 CD2 HIS A 27 5.139 -10.771 5.371 1.00 61.43 C ATOM 410 CE1 HIS A 27 3.490 -11.511 4.135 1.00 61.32 C ATOM 411 NE2 HIS A 27 3.795 -11.035 5.322 1.00 23.00 N ATOM 0 H HIS A 27 9.322 -11.323 2.670 1.00 75.21 H new ATOM 0 HA HIS A 27 7.880 -12.642 4.798 1.00 25.54 H new ATOM 0 HB2 HIS A 27 7.590 -10.247 4.177 1.00 45.24 H new ATOM 0 HB3 HIS A 27 7.020 -10.726 2.590 1.00 45.24 H new ATOM 0 HD2 HIS A 27 5.685 -10.373 6.214 1.00 61.43 H new ATOM 0 HE1 HIS A 27 2.504 -11.806 3.807 1.00 61.32 H new ATOM 0 HE2 HIS A 27 3.136 -10.886 6.086 1.00 23.00 H new ATOM 420 N LYS A 28 7.438 -14.705 3.315 1.00 4.10 N ATOM 421 CA LYS A 28 6.840 -15.863 2.642 1.00 5.41 C ATOM 422 C LYS A 28 5.384 -16.075 3.084 1.00 54.53 C ATOM 423 O LYS A 28 5.113 -16.546 4.190 1.00 22.52 O ATOM 424 CB LYS A 28 7.675 -17.122 2.912 1.00 52.01 C ATOM 425 CG LYS A 28 9.078 -17.063 2.310 1.00 3.31 C ATOM 426 CD LYS A 28 9.884 -18.341 2.566 1.00 22.41 C ATOM 427 CE LYS A 28 10.435 -18.422 3.992 1.00 3.42 C ATOM 428 NZ LYS A 28 9.362 -18.492 5.018 1.00 23.42 N ATOM 0 H LYS A 28 8.093 -14.943 4.059 1.00 4.10 H new ATOM 0 HA LYS A 28 6.835 -15.667 1.570 1.00 5.41 H new ATOM 0 HB2 LYS A 28 7.756 -17.271 3.989 1.00 52.01 H new ATOM 0 HB3 LYS A 28 7.151 -17.989 2.509 1.00 52.01 H new ATOM 0 HG2 LYS A 28 9.001 -16.895 1.236 1.00 3.31 H new ATOM 0 HG3 LYS A 28 9.613 -16.211 2.728 1.00 3.31 H new ATOM 0 HD2 LYS A 28 9.251 -19.208 2.377 1.00 22.41 H new ATOM 0 HD3 LYS A 28 10.712 -18.390 1.859 1.00 22.41 H new ATOM 0 HE2 LYS A 28 11.075 -19.300 4.081 1.00 3.42 H new ATOM 0 HE3 LYS A 28 11.061 -17.551 4.185 1.00 3.42 H new ATOM 0 HZ1 LYS A 28 9.714 -19.000 5.854 1.00 23.42 H new ATOM 0 HZ2 LYS A 28 9.080 -17.529 5.291 1.00 23.42 H new ATOM 0 HZ3 LYS A 28 8.540 -18.996 4.627 1.00 23.42 H new ATOM 442 N GLY A 29 4.450 -15.718 2.205 1.00 22.13 N ATOM 443 CA GLY A 29 3.026 -15.832 2.509 1.00 41.13 C ATOM 444 C GLY A 29 2.222 -14.631 2.018 1.00 71.22 C ATOM 445 O GLY A 29 2.740 -13.780 1.290 1.00 21.14 O ATOM 0 H GLY A 29 4.654 -15.347 1.277 1.00 22.13 H new ATOM 0 HA2 GLY A 29 2.632 -16.740 2.051 1.00 41.13 H new ATOM 0 HA3 GLY A 29 2.896 -15.936 3.586 1.00 41.13 H new ATOM 449 N ASN A 30 0.963 -14.547 2.434 1.00 2.30 N ATOM 450 CA ASN A 30 0.078 -13.455 2.013 1.00 21.34 C ATOM 451 C ASN A 30 -0.371 -12.621 3.226 1.00 73.43 C ATOM 452 O ASN A 30 -0.517 -13.143 4.332 1.00 53.11 O ATOM 453 CB ASN A 30 -1.143 -14.022 1.273 1.00 14.13 C ATOM 454 CG ASN A 30 -1.978 -12.943 0.612 1.00 51.23 C ATOM 455 OD1 ASN A 30 -2.869 -12.367 1.222 1.00 14.34 O ATOM 456 ND2 ASN A 30 -1.702 -12.669 -0.646 1.00 52.23 N ATOM 0 H ASN A 30 0.527 -15.221 3.064 1.00 2.30 H new ATOM 0 HA ASN A 30 0.630 -12.803 1.336 1.00 21.34 H new ATOM 0 HB2 ASN A 30 -0.807 -14.731 0.516 1.00 14.13 H new ATOM 0 HB3 ASN A 30 -1.764 -14.577 1.976 1.00 14.13 H new ATOM 0 HD21 ASN A 30 -2.238 -11.957 -1.142 1.00 52.23 H new ATOM 0 HD22 ASN A 30 -0.952 -13.169 -1.124 1.00 52.23 H new ATOM 463 N GLU A 31 -0.586 -11.324 3.019 1.00 72.13 N ATOM 464 CA GLU A 31 -0.938 -10.421 4.123 1.00 41.43 C ATOM 465 C GLU A 31 -1.732 -9.205 3.629 1.00 41.35 C ATOM 466 O GLU A 31 -1.319 -8.521 2.696 1.00 61.14 O ATOM 467 CB GLU A 31 0.343 -9.966 4.828 1.00 43.53 C ATOM 468 CG GLU A 31 0.112 -9.215 6.133 1.00 51.45 C ATOM 469 CD GLU A 31 1.403 -9.006 6.905 1.00 72.52 C ATOM 470 OE1 GLU A 31 2.007 -10.015 7.329 1.00 50.11 O ATOM 471 OE2 GLU A 31 1.831 -7.848 7.068 1.00 32.41 O ATOM 0 H GLU A 31 -0.524 -10.873 2.106 1.00 72.13 H new ATOM 0 HA GLU A 31 -1.575 -10.963 4.822 1.00 41.43 H new ATOM 0 HB2 GLU A 31 0.961 -10.840 5.031 1.00 43.53 H new ATOM 0 HB3 GLU A 31 0.908 -9.326 4.150 1.00 43.53 H new ATOM 0 HG2 GLU A 31 -0.343 -8.248 5.919 1.00 51.45 H new ATOM 0 HG3 GLU A 31 -0.594 -9.770 6.751 1.00 51.45 H new ATOM 478 N GLN A 32 -2.869 -8.932 4.266 1.00 54.43 N ATOM 479 CA GLN A 32 -3.738 -7.819 3.859 1.00 50.12 C ATOM 480 C GLN A 32 -4.011 -6.860 5.028 1.00 61.15 C ATOM 481 O GLN A 32 -3.976 -7.260 6.192 1.00 70.20 O ATOM 482 CB GLN A 32 -5.075 -8.355 3.329 1.00 4.41 C ATOM 483 CG GLN A 32 -4.945 -9.357 2.188 1.00 11.21 C ATOM 484 CD GLN A 32 -6.293 -9.835 1.683 1.00 54.00 C ATOM 485 OE1 GLN A 32 -7.272 -9.874 2.426 1.00 73.25 O ATOM 486 NE2 GLN A 32 -6.361 -10.209 0.425 1.00 31.02 N ATOM 0 H GLN A 32 -3.214 -9.463 5.066 1.00 54.43 H new ATOM 0 HA GLN A 32 -3.219 -7.271 3.073 1.00 50.12 H new ATOM 0 HB2 GLN A 32 -5.615 -8.827 4.150 1.00 4.41 H new ATOM 0 HB3 GLN A 32 -5.681 -7.514 2.991 1.00 4.41 H new ATOM 0 HG2 GLN A 32 -4.394 -8.899 1.367 1.00 11.21 H new ATOM 0 HG3 GLN A 32 -4.361 -10.214 2.525 1.00 11.21 H new ATOM 0 HE21 GLN A 32 -5.531 -10.165 -0.166 1.00 31.02 H new ATOM 0 HE22 GLN A 32 -7.244 -10.543 0.039 1.00 31.02 H new ATOM 495 N PHE A 33 -4.294 -5.601 4.707 1.00 52.24 N ATOM 496 CA PHE A 33 -4.733 -4.623 5.710 1.00 21.20 C ATOM 497 C PHE A 33 -5.573 -3.513 5.056 1.00 20.13 C ATOM 498 O PHE A 33 -5.277 -3.065 3.944 1.00 20.02 O ATOM 499 CB PHE A 33 -3.542 -4.039 6.491 1.00 5.01 C ATOM 500 CG PHE A 33 -2.488 -3.359 5.648 1.00 15.23 C ATOM 501 CD1 PHE A 33 -1.517 -4.105 4.990 1.00 61.44 C ATOM 502 CD2 PHE A 33 -2.455 -1.975 5.531 1.00 53.35 C ATOM 503 CE1 PHE A 33 -0.540 -3.485 4.233 1.00 34.43 C ATOM 504 CE2 PHE A 33 -1.482 -1.352 4.772 1.00 5.55 C ATOM 505 CZ PHE A 33 -0.521 -2.106 4.126 1.00 35.51 C ATOM 0 H PHE A 33 -4.228 -5.229 3.760 1.00 52.24 H new ATOM 0 HA PHE A 33 -5.364 -5.144 6.430 1.00 21.20 H new ATOM 0 HB2 PHE A 33 -3.922 -3.321 7.217 1.00 5.01 H new ATOM 0 HB3 PHE A 33 -3.069 -4.843 7.055 1.00 5.01 H new ATOM 0 HD1 PHE A 33 -1.526 -5.182 5.071 1.00 61.44 H new ATOM 0 HD2 PHE A 33 -3.198 -1.379 6.039 1.00 53.35 H new ATOM 0 HE1 PHE A 33 0.208 -4.077 3.726 1.00 34.43 H new ATOM 0 HE2 PHE A 33 -1.473 -0.276 4.684 1.00 5.55 H new ATOM 0 HZ PHE A 33 0.244 -1.620 3.539 1.00 35.51 H new ATOM 515 N THR A 34 -6.628 -3.085 5.749 1.00 53.04 N ATOM 516 CA THR A 34 -7.613 -2.147 5.188 1.00 14.21 C ATOM 517 C THR A 34 -7.512 -0.753 5.827 1.00 61.15 C ATOM 518 O THR A 34 -7.839 -0.568 7.002 1.00 3.32 O ATOM 519 CB THR A 34 -9.056 -2.682 5.377 1.00 31.42 C ATOM 520 OG1 THR A 34 -9.192 -3.977 4.763 1.00 31.35 O ATOM 521 CG2 THR A 34 -10.090 -1.723 4.784 1.00 33.13 C ATOM 0 H THR A 34 -6.827 -3.373 6.707 1.00 53.04 H new ATOM 0 HA THR A 34 -7.387 -2.060 4.125 1.00 14.21 H new ATOM 0 HB THR A 34 -9.239 -2.765 6.448 1.00 31.42 H new ATOM 0 HG1 THR A 34 -10.107 -4.305 4.890 1.00 31.35 H new ATOM 0 HG21 THR A 34 -11.091 -2.129 4.934 1.00 33.13 H new ATOM 0 HG22 THR A 34 -10.013 -0.754 5.278 1.00 33.13 H new ATOM 0 HG23 THR A 34 -9.904 -1.602 3.717 1.00 33.13 H new ATOM 529 N ILE A 35 -7.078 0.225 5.039 1.00 22.11 N ATOM 530 CA ILE A 35 -6.909 1.604 5.513 1.00 35.32 C ATOM 531 C ILE A 35 -8.158 2.457 5.229 1.00 21.42 C ATOM 532 O ILE A 35 -8.405 2.844 4.088 1.00 14.24 O ATOM 533 CB ILE A 35 -5.691 2.271 4.828 1.00 32.24 C ATOM 534 CG1 ILE A 35 -4.435 1.400 5.006 1.00 34.25 C ATOM 535 CG2 ILE A 35 -5.460 3.678 5.383 1.00 75.42 C ATOM 536 CD1 ILE A 35 -3.234 1.898 4.230 1.00 10.10 C ATOM 0 H ILE A 35 -6.833 0.091 4.058 1.00 22.11 H new ATOM 0 HA ILE A 35 -6.750 1.552 6.590 1.00 35.32 H new ATOM 0 HB ILE A 35 -5.900 2.360 3.762 1.00 32.24 H new ATOM 0 HG12 ILE A 35 -4.180 1.358 6.065 1.00 34.25 H new ATOM 0 HG13 ILE A 35 -4.663 0.381 4.692 1.00 34.25 H new ATOM 0 HG21 ILE A 35 -4.600 4.128 4.888 1.00 75.42 H new ATOM 0 HG22 ILE A 35 -6.344 4.290 5.202 1.00 75.42 H new ATOM 0 HG23 ILE A 35 -5.272 3.620 6.455 1.00 75.42 H new ATOM 0 HD11 ILE A 35 -2.387 1.234 4.405 1.00 10.10 H new ATOM 0 HD12 ILE A 35 -3.469 1.914 3.166 1.00 10.10 H new ATOM 0 HD13 ILE A 35 -2.980 2.905 4.560 1.00 10.10 H new ATOM 548 N LYS A 36 -8.940 2.750 6.262 1.00 33.03 N ATOM 549 CA LYS A 36 -10.146 3.573 6.104 1.00 13.31 C ATOM 550 C LYS A 36 -9.831 5.068 6.289 1.00 12.11 C ATOM 551 O LYS A 36 -9.536 5.524 7.398 1.00 64.15 O ATOM 552 CB LYS A 36 -11.241 3.130 7.085 1.00 42.41 C ATOM 553 CG LYS A 36 -11.809 1.743 6.785 1.00 23.15 C ATOM 554 CD LYS A 36 -13.039 1.430 7.634 1.00 33.42 C ATOM 555 CE LYS A 36 -13.709 0.131 7.196 1.00 1.10 C ATOM 556 NZ LYS A 36 -12.857 -1.063 7.447 1.00 45.34 N ATOM 0 H LYS A 36 -8.766 2.434 7.216 1.00 33.03 H new ATOM 0 HA LYS A 36 -10.513 3.429 5.088 1.00 13.31 H new ATOM 0 HB2 LYS A 36 -10.835 3.136 8.096 1.00 42.41 H new ATOM 0 HB3 LYS A 36 -12.052 3.858 7.063 1.00 42.41 H new ATOM 0 HG2 LYS A 36 -12.072 1.680 5.729 1.00 23.15 H new ATOM 0 HG3 LYS A 36 -11.042 0.990 6.968 1.00 23.15 H new ATOM 0 HD2 LYS A 36 -12.749 1.355 8.682 1.00 33.42 H new ATOM 0 HD3 LYS A 36 -13.752 2.251 7.559 1.00 33.42 H new ATOM 0 HE2 LYS A 36 -14.654 0.017 7.727 1.00 1.10 H new ATOM 0 HE3 LYS A 36 -13.945 0.188 6.133 1.00 1.10 H new ATOM 0 HZ1 LYS A 36 -13.357 -1.919 7.132 1.00 45.34 H new ATOM 0 HZ2 LYS A 36 -11.965 -0.970 6.920 1.00 45.34 H new ATOM 0 HZ3 LYS A 36 -12.652 -1.136 8.464 1.00 45.34 H new ATOM 570 N GLY A 37 -9.897 5.824 5.191 1.00 40.32 N ATOM 571 CA GLY A 37 -9.570 7.248 5.222 1.00 15.33 C ATOM 572 C GLY A 37 -10.793 8.159 5.294 1.00 20.11 C ATOM 573 O GLY A 37 -11.736 7.895 6.036 1.00 42.13 O ATOM 0 H GLY A 37 -10.173 5.474 4.273 1.00 40.32 H new ATOM 0 HA2 GLY A 37 -8.930 7.446 6.082 1.00 15.33 H new ATOM 0 HA3 GLY A 37 -8.994 7.499 4.331 1.00 15.33 H new ATOM 577 N LYS A 38 -10.776 9.236 4.509 1.00 35.21 N ATOM 578 CA LYS A 38 -11.844 10.244 4.535 1.00 14.15 C ATOM 579 C LYS A 38 -12.996 9.889 3.579 1.00 61.01 C ATOM 580 O LYS A 38 -12.790 9.224 2.563 1.00 72.42 O ATOM 581 CB LYS A 38 -11.263 11.618 4.174 1.00 74.40 C ATOM 582 CG LYS A 38 -10.245 12.140 5.187 1.00 74.12 C ATOM 583 CD LYS A 38 -9.602 13.447 4.727 1.00 12.13 C ATOM 584 CE LYS A 38 -8.701 14.053 5.799 1.00 2.13 C ATOM 585 NZ LYS A 38 -7.604 13.133 6.207 1.00 24.01 N ATOM 0 H LYS A 38 -10.031 9.436 3.842 1.00 35.21 H new ATOM 0 HA LYS A 38 -12.256 10.269 5.544 1.00 14.15 H new ATOM 0 HB2 LYS A 38 -10.789 11.556 3.195 1.00 74.40 H new ATOM 0 HB3 LYS A 38 -12.078 12.336 4.088 1.00 74.40 H new ATOM 0 HG2 LYS A 38 -10.736 12.295 6.148 1.00 74.12 H new ATOM 0 HG3 LYS A 38 -9.470 11.389 5.343 1.00 74.12 H new ATOM 0 HD2 LYS A 38 -9.019 13.265 3.824 1.00 12.13 H new ATOM 0 HD3 LYS A 38 -10.382 14.161 4.464 1.00 12.13 H new ATOM 0 HE2 LYS A 38 -8.271 14.983 5.425 1.00 2.13 H new ATOM 0 HE3 LYS A 38 -9.301 14.308 6.672 1.00 2.13 H new ATOM 0 HZ1 LYS A 38 -7.031 13.584 6.949 1.00 24.01 H new ATOM 0 HZ2 LYS A 38 -8.011 12.249 6.573 1.00 24.01 H new ATOM 0 HZ3 LYS A 38 -7.003 12.923 5.385 1.00 24.01 H new ATOM 599 N GLY A 39 -14.203 10.340 3.922 1.00 71.00 N ATOM 600 CA GLY A 39 -15.380 10.078 3.097 1.00 11.13 C ATOM 601 C GLY A 39 -15.690 8.592 2.934 1.00 33.42 C ATOM 602 O GLY A 39 -16.109 8.157 1.857 1.00 41.02 O ATOM 0 H GLY A 39 -14.390 10.887 4.763 1.00 71.00 H new ATOM 0 HA2 GLY A 39 -16.243 10.575 3.541 1.00 11.13 H new ATOM 0 HA3 GLY A 39 -15.229 10.520 2.112 1.00 11.13 H new ATOM 606 N ALA A 40 -15.468 7.814 3.999 1.00 3.33 N ATOM 607 CA ALA A 40 -15.706 6.358 3.984 1.00 53.22 C ATOM 608 C ALA A 40 -14.818 5.628 2.955 1.00 65.12 C ATOM 609 O ALA A 40 -15.002 4.437 2.689 1.00 40.42 O ATOM 610 CB ALA A 40 -17.186 6.061 3.729 1.00 72.00 C ATOM 0 H ALA A 40 -15.121 8.167 4.891 1.00 3.33 H new ATOM 0 HA ALA A 40 -15.431 5.976 4.967 1.00 53.22 H new ATOM 0 HB1 ALA A 40 -17.345 4.983 3.721 1.00 72.00 H new ATOM 0 HB2 ALA A 40 -17.789 6.511 4.518 1.00 72.00 H new ATOM 0 HB3 ALA A 40 -17.480 6.478 2.766 1.00 72.00 H new ATOM 616 N GLN A 41 -13.837 6.339 2.403 1.00 2.12 N ATOM 617 CA GLN A 41 -12.961 5.792 1.365 1.00 0.51 C ATOM 618 C GLN A 41 -11.813 4.956 1.958 1.00 44.04 C ATOM 619 O GLN A 41 -10.868 5.497 2.534 1.00 22.23 O ATOM 620 CB GLN A 41 -12.394 6.935 0.511 1.00 52.23 C ATOM 621 CG GLN A 41 -13.432 7.631 -0.365 1.00 13.14 C ATOM 622 CD GLN A 41 -12.856 8.812 -1.135 1.00 40.54 C ATOM 623 OE1 GLN A 41 -13.237 9.076 -2.271 1.00 53.13 O ATOM 624 NE2 GLN A 41 -11.968 9.555 -0.507 1.00 71.42 N ATOM 0 H GLN A 41 -13.626 7.304 2.659 1.00 2.12 H new ATOM 0 HA GLN A 41 -13.559 5.127 0.742 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -11.936 7.673 1.169 1.00 52.23 H new ATOM 0 HB3 GLN A 41 -11.602 6.540 -0.126 1.00 52.23 H new ATOM 0 HG2 GLN A 41 -13.848 6.911 -1.070 1.00 13.14 H new ATOM 0 HG3 GLN A 41 -14.255 7.977 0.260 1.00 13.14 H new ATOM 0 HE21 GLN A 41 -11.672 9.308 0.437 1.00 71.42 H new ATOM 0 HE22 GLN A 41 -11.576 10.378 -0.965 1.00 71.42 H new ATOM 633 N TYR A 42 -11.898 3.635 1.810 1.00 21.23 N ATOM 634 CA TYR A 42 -10.859 2.730 2.317 1.00 54.03 C ATOM 635 C TYR A 42 -9.972 2.179 1.185 1.00 63.40 C ATOM 636 O TYR A 42 -10.402 2.093 0.032 1.00 23.25 O ATOM 637 CB TYR A 42 -11.501 1.564 3.086 1.00 4.04 C ATOM 638 CG TYR A 42 -12.231 0.560 2.203 1.00 10.41 C ATOM 639 CD1 TYR A 42 -13.529 0.798 1.759 1.00 52.35 C ATOM 640 CD2 TYR A 42 -11.617 -0.629 1.816 1.00 20.24 C ATOM 641 CE1 TYR A 42 -14.188 -0.120 0.959 1.00 35.41 C ATOM 642 CE2 TYR A 42 -12.271 -1.545 1.016 1.00 55.24 C ATOM 643 CZ TYR A 42 -13.554 -1.288 0.590 1.00 51.22 C ATOM 644 OH TYR A 42 -14.210 -2.208 -0.198 1.00 13.03 O ATOM 0 H TYR A 42 -12.674 3.164 1.344 1.00 21.23 H new ATOM 0 HA TYR A 42 -10.224 3.308 2.988 1.00 54.03 H new ATOM 0 HB2 TYR A 42 -10.725 1.042 3.646 1.00 4.04 H new ATOM 0 HB3 TYR A 42 -12.203 1.968 3.815 1.00 4.04 H new ATOM 0 HD1 TYR A 42 -14.029 1.712 2.043 1.00 52.35 H new ATOM 0 HD2 TYR A 42 -10.611 -0.838 2.148 1.00 20.24 H new ATOM 0 HE1 TYR A 42 -15.196 0.078 0.625 1.00 35.41 H new ATOM 0 HE2 TYR A 42 -11.777 -2.460 0.726 1.00 55.24 H new ATOM 0 HH TYR A 42 -13.621 -2.973 -0.367 1.00 13.03 H new ATOM 654 N ASN A 43 -8.733 1.833 1.530 1.00 54.43 N ATOM 655 CA ASN A 43 -7.822 1.123 0.622 1.00 4.42 C ATOM 656 C ASN A 43 -7.571 -0.305 1.131 1.00 4.01 C ATOM 657 O ASN A 43 -7.247 -0.503 2.304 1.00 5.23 O ATOM 658 CB ASN A 43 -6.474 1.852 0.526 1.00 51.14 C ATOM 659 CG ASN A 43 -6.587 3.248 -0.050 1.00 41.51 C ATOM 660 OD1 ASN A 43 -6.762 4.224 0.672 1.00 41.42 O ATOM 661 ND2 ASN A 43 -6.495 3.361 -1.359 1.00 60.45 N ATOM 0 H ASN A 43 -8.329 2.035 2.445 1.00 54.43 H new ATOM 0 HA ASN A 43 -8.289 1.091 -0.362 1.00 4.42 H new ATOM 0 HB2 ASN A 43 -6.030 1.911 1.519 1.00 51.14 H new ATOM 0 HB3 ASN A 43 -5.795 1.265 -0.093 1.00 51.14 H new ATOM 0 HD21 ASN A 43 -6.569 4.279 -1.798 1.00 60.45 H new ATOM 0 HD22 ASN A 43 -6.349 2.531 -1.934 1.00 60.45 H new ATOM 668 N LEU A 44 -7.719 -1.295 0.260 1.00 75.20 N ATOM 669 CA LEU A 44 -7.421 -2.690 0.625 1.00 24.11 C ATOM 670 C LEU A 44 -6.059 -3.123 0.068 1.00 52.43 C ATOM 671 O LEU A 44 -5.921 -3.391 -1.125 1.00 24.21 O ATOM 672 CB LEU A 44 -8.518 -3.640 0.119 1.00 52.54 C ATOM 673 CG LEU A 44 -8.268 -5.137 0.388 1.00 33.23 C ATOM 674 CD1 LEU A 44 -8.137 -5.414 1.885 1.00 31.15 C ATOM 675 CD2 LEU A 44 -9.381 -5.986 -0.222 1.00 13.04 C ATOM 0 H LEU A 44 -8.041 -1.168 -0.700 1.00 75.20 H new ATOM 0 HA LEU A 44 -7.388 -2.744 1.713 1.00 24.11 H new ATOM 0 HB2 LEU A 44 -9.463 -3.357 0.583 1.00 52.54 H new ATOM 0 HB3 LEU A 44 -8.634 -3.495 -0.955 1.00 52.54 H new ATOM 0 HG LEU A 44 -7.326 -5.411 -0.087 1.00 33.23 H new ATOM 0 HD11 LEU A 44 -7.961 -6.478 2.044 1.00 31.15 H new ATOM 0 HD12 LEU A 44 -7.300 -4.844 2.289 1.00 31.15 H new ATOM 0 HD13 LEU A 44 -9.056 -5.118 2.391 1.00 31.15 H new ATOM 0 HD21 LEU A 44 -9.186 -7.040 -0.021 1.00 13.04 H new ATOM 0 HD22 LEU A 44 -10.337 -5.703 0.218 1.00 13.04 H new ATOM 0 HD23 LEU A 44 -9.415 -5.822 -1.299 1.00 13.04 H new ATOM 687 N MET A 45 -5.055 -3.191 0.938 1.00 64.41 N ATOM 688 CA MET A 45 -3.698 -3.574 0.533 1.00 22.03 C ATOM 689 C MET A 45 -3.504 -5.098 0.602 1.00 60.41 C ATOM 690 O MET A 45 -3.999 -5.751 1.521 1.00 31.41 O ATOM 691 CB MET A 45 -2.672 -2.878 1.431 1.00 2.34 C ATOM 692 CG MET A 45 -2.779 -1.356 1.423 1.00 52.53 C ATOM 693 SD MET A 45 -2.413 -0.641 -0.189 1.00 21.43 S ATOM 694 CE MET A 45 -0.709 -1.145 -0.430 1.00 32.43 C ATOM 0 H MET A 45 -5.152 -2.986 1.932 1.00 64.41 H new ATOM 0 HA MET A 45 -3.551 -3.260 -0.501 1.00 22.03 H new ATOM 0 HB2 MET A 45 -2.795 -3.236 2.453 1.00 2.34 H new ATOM 0 HB3 MET A 45 -1.670 -3.164 1.112 1.00 2.34 H new ATOM 0 HG2 MET A 45 -3.785 -1.065 1.725 1.00 52.53 H new ATOM 0 HG3 MET A 45 -2.093 -0.944 2.163 1.00 52.53 H new ATOM 0 HE1 MET A 45 -0.243 -0.505 -1.179 1.00 32.43 H new ATOM 0 HE2 MET A 45 -0.167 -1.057 0.512 1.00 32.43 H new ATOM 0 HE3 MET A 45 -0.680 -2.180 -0.770 1.00 32.43 H new ATOM 704 N GLU A 46 -2.778 -5.654 -0.370 1.00 45.01 N ATOM 705 CA GLU A 46 -2.510 -7.100 -0.418 1.00 13.20 C ATOM 706 C GLU A 46 -1.037 -7.393 -0.765 1.00 44.41 C ATOM 707 O GLU A 46 -0.546 -7.016 -1.830 1.00 61.43 O ATOM 708 CB GLU A 46 -3.440 -7.781 -1.440 1.00 73.14 C ATOM 709 CG GLU A 46 -3.183 -9.281 -1.603 1.00 23.30 C ATOM 710 CD GLU A 46 -4.185 -9.959 -2.527 1.00 11.34 C ATOM 711 OE1 GLU A 46 -4.077 -9.792 -3.761 1.00 3.24 O ATOM 712 OE2 GLU A 46 -5.083 -10.668 -2.022 1.00 64.21 O ATOM 0 H GLU A 46 -2.363 -5.127 -1.138 1.00 45.01 H new ATOM 0 HA GLU A 46 -2.707 -7.506 0.574 1.00 13.20 H new ATOM 0 HB2 GLU A 46 -4.475 -7.630 -1.133 1.00 73.14 H new ATOM 0 HB3 GLU A 46 -3.320 -7.294 -2.408 1.00 73.14 H new ATOM 0 HG2 GLU A 46 -2.177 -9.431 -1.994 1.00 23.30 H new ATOM 0 HG3 GLU A 46 -3.219 -9.759 -0.624 1.00 23.30 H new ATOM 719 N VAL A 47 -0.345 -8.062 0.153 1.00 61.01 N ATOM 720 CA VAL A 47 1.051 -8.468 -0.043 1.00 1.34 C ATOM 721 C VAL A 47 1.145 -9.978 -0.310 1.00 55.13 C ATOM 722 O VAL A 47 0.746 -10.786 0.529 1.00 2.30 O ATOM 723 CB VAL A 47 1.912 -8.132 1.201 1.00 72.31 C ATOM 724 CG1 VAL A 47 3.383 -8.470 0.961 1.00 20.24 C ATOM 725 CG2 VAL A 47 1.747 -6.667 1.602 1.00 11.02 C ATOM 0 H VAL A 47 -0.732 -8.340 1.055 1.00 61.01 H new ATOM 0 HA VAL A 47 1.429 -7.916 -0.903 1.00 1.34 H new ATOM 0 HB VAL A 47 1.558 -8.749 2.027 1.00 72.31 H new ATOM 0 HG11 VAL A 47 3.963 -8.224 1.851 1.00 20.24 H new ATOM 0 HG12 VAL A 47 3.482 -9.534 0.747 1.00 20.24 H new ATOM 0 HG13 VAL A 47 3.755 -7.893 0.114 1.00 20.24 H new ATOM 0 HG21 VAL A 47 2.362 -6.458 2.477 1.00 11.02 H new ATOM 0 HG22 VAL A 47 2.060 -6.027 0.777 1.00 11.02 H new ATOM 0 HG23 VAL A 47 0.701 -6.470 1.838 1.00 11.02 H new ATOM 735 N ASP A 48 1.677 -10.355 -1.470 1.00 24.21 N ATOM 736 CA ASP A 48 1.841 -11.771 -1.829 1.00 74.42 C ATOM 737 C ASP A 48 3.333 -12.105 -2.007 1.00 44.13 C ATOM 738 O ASP A 48 3.890 -11.971 -3.096 1.00 33.43 O ATOM 739 CB ASP A 48 1.054 -12.076 -3.112 1.00 5.41 C ATOM 740 CG ASP A 48 0.882 -13.566 -3.363 1.00 3.43 C ATOM 741 OD1 ASP A 48 0.018 -14.181 -2.708 1.00 24.33 O ATOM 742 OD2 ASP A 48 1.592 -14.128 -4.230 1.00 52.44 O ATOM 0 H ASP A 48 2.004 -9.702 -2.182 1.00 24.21 H new ATOM 0 HA ASP A 48 1.448 -12.394 -1.025 1.00 74.42 H new ATOM 0 HB2 ASP A 48 0.072 -11.608 -3.049 1.00 5.41 H new ATOM 0 HB3 ASP A 48 1.567 -11.627 -3.962 1.00 5.41 H new ATOM 747 N GLY A 49 3.976 -12.531 -0.928 1.00 14.21 N ATOM 748 CA GLY A 49 5.417 -12.754 -0.958 1.00 22.24 C ATOM 749 C GLY A 49 6.209 -11.445 -0.935 1.00 42.03 C ATOM 750 O GLY A 49 6.137 -10.690 0.034 1.00 35.32 O ATOM 0 H GLY A 49 3.531 -12.727 -0.032 1.00 14.21 H new ATOM 0 HA2 GLY A 49 5.705 -13.365 -0.103 1.00 22.24 H new ATOM 0 HA3 GLY A 49 5.676 -13.317 -1.854 1.00 22.24 H new ATOM 754 N GLU A 50 6.960 -11.174 -2.006 1.00 3.02 N ATOM 755 CA GLU A 50 7.757 -9.939 -2.113 1.00 42.45 C ATOM 756 C GLU A 50 7.004 -8.838 -2.876 1.00 11.44 C ATOM 757 O GLU A 50 7.387 -7.667 -2.844 1.00 42.52 O ATOM 758 CB GLU A 50 9.083 -10.222 -2.829 1.00 33.03 C ATOM 759 CG GLU A 50 9.954 -11.266 -2.144 1.00 54.13 C ATOM 760 CD GLU A 50 11.287 -11.455 -2.848 1.00 12.15 C ATOM 761 OE1 GLU A 50 12.197 -10.624 -2.642 1.00 71.13 O ATOM 762 OE2 GLU A 50 11.430 -12.431 -3.617 1.00 25.13 O ATOM 0 H GLU A 50 7.036 -11.791 -2.815 1.00 3.02 H new ATOM 0 HA GLU A 50 7.946 -9.590 -1.098 1.00 42.45 H new ATOM 0 HB2 GLU A 50 8.870 -10.553 -3.845 1.00 33.03 H new ATOM 0 HB3 GLU A 50 9.646 -9.292 -2.908 1.00 33.03 H new ATOM 0 HG2 GLU A 50 10.130 -10.968 -1.111 1.00 54.13 H new ATOM 0 HG3 GLU A 50 9.423 -12.217 -2.115 1.00 54.13 H new ATOM 769 N ARG A 51 5.943 -9.219 -3.576 1.00 44.13 N ATOM 770 CA ARG A 51 5.181 -8.281 -4.408 1.00 21.43 C ATOM 771 C ARG A 51 3.934 -7.765 -3.672 1.00 52.42 C ATOM 772 O ARG A 51 3.200 -8.535 -3.051 1.00 4.40 O ATOM 773 CB ARG A 51 4.779 -8.960 -5.726 1.00 13.31 C ATOM 774 CG ARG A 51 4.021 -10.263 -5.520 1.00 62.52 C ATOM 775 CD ARG A 51 3.640 -10.942 -6.829 1.00 43.12 C ATOM 776 NE ARG A 51 2.918 -12.185 -6.579 1.00 25.44 N ATOM 777 CZ ARG A 51 2.092 -12.747 -7.415 1.00 51.05 C ATOM 778 NH1 ARG A 51 1.903 -12.254 -8.602 1.00 42.53 N ATOM 779 NH2 ARG A 51 1.473 -13.822 -7.061 1.00 1.44 N ATOM 0 H ARG A 51 5.585 -10.174 -3.587 1.00 44.13 H new ATOM 0 HA ARG A 51 5.818 -7.423 -4.624 1.00 21.43 H new ATOM 0 HB2 ARG A 51 4.161 -8.275 -6.307 1.00 13.31 H new ATOM 0 HB3 ARG A 51 5.675 -9.157 -6.314 1.00 13.31 H new ATOM 0 HG2 ARG A 51 4.633 -10.944 -4.929 1.00 62.52 H new ATOM 0 HG3 ARG A 51 3.118 -10.064 -4.943 1.00 62.52 H new ATOM 0 HD2 ARG A 51 3.022 -10.271 -7.425 1.00 43.12 H new ATOM 0 HD3 ARG A 51 4.538 -11.149 -7.411 1.00 43.12 H new ATOM 0 HE ARG A 51 3.071 -12.648 -5.683 1.00 25.44 H new ATOM 0 HH11 ARG A 51 2.405 -11.415 -8.891 1.00 42.53 H new ATOM 0 HH12 ARG A 51 1.253 -12.706 -9.244 1.00 42.53 H new ATOM 0 HH21 ARG A 51 1.633 -14.222 -6.136 1.00 1.44 H new ATOM 0 HH22 ARG A 51 0.823 -14.272 -7.706 1.00 1.44 H new ATOM 793 N ILE A 52 3.696 -6.459 -3.752 1.00 73.33 N ATOM 794 CA ILE A 52 2.548 -5.842 -3.080 1.00 62.15 C ATOM 795 C ILE A 52 1.662 -5.072 -4.073 1.00 60.52 C ATOM 796 O ILE A 52 2.152 -4.465 -5.024 1.00 30.13 O ATOM 797 CB ILE A 52 3.010 -4.890 -1.944 1.00 43.40 C ATOM 798 CG1 ILE A 52 1.798 -4.265 -1.228 1.00 61.13 C ATOM 799 CG2 ILE A 52 3.936 -3.803 -2.490 1.00 23.44 C ATOM 800 CD1 ILE A 52 2.166 -3.365 -0.065 1.00 22.12 C ATOM 0 H ILE A 52 4.280 -5.805 -4.274 1.00 73.33 H new ATOM 0 HA ILE A 52 1.960 -6.650 -2.646 1.00 62.15 H new ATOM 0 HB ILE A 52 3.569 -5.478 -1.216 1.00 43.40 H new ATOM 0 HG12 ILE A 52 1.219 -3.690 -1.950 1.00 61.13 H new ATOM 0 HG13 ILE A 52 1.151 -5.064 -0.865 1.00 61.13 H new ATOM 0 HG21 ILE A 52 4.247 -3.148 -1.676 1.00 23.44 H new ATOM 0 HG22 ILE A 52 4.815 -4.266 -2.940 1.00 23.44 H new ATOM 0 HG23 ILE A 52 3.407 -3.220 -3.244 1.00 23.44 H new ATOM 0 HD11 ILE A 52 1.258 -2.964 0.386 1.00 22.12 H new ATOM 0 HD12 ILE A 52 2.718 -3.939 0.679 1.00 22.12 H new ATOM 0 HD13 ILE A 52 2.787 -2.544 -0.423 1.00 22.12 H new ATOM 812 N ARG A 53 0.353 -5.113 -3.849 1.00 10.25 N ATOM 813 CA ARG A 53 -0.606 -4.375 -4.677 1.00 41.12 C ATOM 814 C ARG A 53 -1.773 -3.871 -3.832 1.00 20.31 C ATOM 815 O ARG A 53 -1.928 -4.258 -2.672 1.00 62.55 O ATOM 816 CB ARG A 53 -1.173 -5.265 -5.794 1.00 33.21 C ATOM 817 CG ARG A 53 -2.115 -6.357 -5.287 1.00 61.35 C ATOM 818 CD ARG A 53 -2.994 -6.924 -6.398 1.00 51.10 C ATOM 819 NE ARG A 53 -3.881 -7.981 -5.906 1.00 35.30 N ATOM 820 CZ ARG A 53 -5.017 -8.319 -6.456 1.00 43.33 C ATOM 821 NH1 ARG A 53 -5.457 -7.709 -7.511 1.00 51.00 N ATOM 822 NH2 ARG A 53 -5.713 -9.272 -5.934 1.00 5.33 N ATOM 0 H ARG A 53 -0.075 -5.652 -3.096 1.00 10.25 H new ATOM 0 HA ARG A 53 -0.070 -3.533 -5.115 1.00 41.12 H new ATOM 0 HB2 ARG A 53 -1.707 -4.640 -6.510 1.00 33.21 H new ATOM 0 HB3 ARG A 53 -0.347 -5.730 -6.331 1.00 33.21 H new ATOM 0 HG2 ARG A 53 -1.529 -7.162 -4.843 1.00 61.35 H new ATOM 0 HG3 ARG A 53 -2.747 -5.951 -4.498 1.00 61.35 H new ATOM 0 HD2 ARG A 53 -3.591 -6.123 -6.834 1.00 51.10 H new ATOM 0 HD3 ARG A 53 -2.363 -7.320 -7.194 1.00 51.10 H new ATOM 0 HE ARG A 53 -3.590 -8.491 -5.072 1.00 35.30 H new ATOM 0 HH11 ARG A 53 -4.914 -6.951 -7.926 1.00 51.00 H new ATOM 0 HH12 ARG A 53 -6.346 -7.986 -7.927 1.00 51.00 H new ATOM 0 HH21 ARG A 53 -5.375 -9.753 -5.101 1.00 5.33 H new ATOM 0 HH22 ARG A 53 -6.601 -9.544 -6.355 1.00 5.33 H new ATOM 836 N ILE A 54 -2.591 -3.006 -4.414 1.00 11.34 N ATOM 837 CA ILE A 54 -3.880 -2.668 -3.825 1.00 75.12 C ATOM 838 C ILE A 54 -4.979 -3.516 -4.484 1.00 2.11 C ATOM 839 O ILE A 54 -5.144 -3.495 -5.703 1.00 13.35 O ATOM 840 CB ILE A 54 -4.212 -1.168 -3.979 1.00 74.02 C ATOM 841 CG1 ILE A 54 -3.088 -0.304 -3.381 1.00 31.20 C ATOM 842 CG2 ILE A 54 -5.542 -0.862 -3.303 1.00 24.43 C ATOM 843 CD1 ILE A 54 -3.358 1.187 -3.428 1.00 52.04 C ATOM 0 H ILE A 54 -2.387 -2.526 -5.291 1.00 11.34 H new ATOM 0 HA ILE A 54 -3.828 -2.883 -2.758 1.00 75.12 H new ATOM 0 HB ILE A 54 -4.294 -0.930 -5.040 1.00 74.02 H new ATOM 0 HG12 ILE A 54 -2.930 -0.601 -2.344 1.00 31.20 H new ATOM 0 HG13 ILE A 54 -2.162 -0.511 -3.917 1.00 31.20 H new ATOM 0 HG21 ILE A 54 -5.772 0.198 -3.415 1.00 24.43 H new ATOM 0 HG22 ILE A 54 -6.331 -1.455 -3.766 1.00 24.43 H new ATOM 0 HG23 ILE A 54 -5.477 -1.110 -2.243 1.00 24.43 H new ATOM 0 HD11 ILE A 54 -2.518 1.723 -2.987 1.00 52.04 H new ATOM 0 HD12 ILE A 54 -3.486 1.501 -4.464 1.00 52.04 H new ATOM 0 HD13 ILE A 54 -4.265 1.410 -2.867 1.00 52.04 H new ATOM 855 N LYS A 55 -5.708 -4.279 -3.679 1.00 23.24 N ATOM 856 CA LYS A 55 -6.677 -5.247 -4.201 1.00 2.42 C ATOM 857 C LYS A 55 -8.057 -4.618 -4.459 1.00 4.04 C ATOM 858 O LYS A 55 -8.770 -5.034 -5.373 1.00 13.34 O ATOM 859 CB LYS A 55 -6.811 -6.425 -3.228 1.00 44.11 C ATOM 860 CG LYS A 55 -7.644 -7.585 -3.772 1.00 70.12 C ATOM 861 CD LYS A 55 -7.571 -8.810 -2.863 1.00 55.30 C ATOM 862 CE LYS A 55 -8.139 -10.048 -3.545 1.00 63.33 C ATOM 863 NZ LYS A 55 -7.812 -11.295 -2.806 1.00 34.31 N ATOM 0 H LYS A 55 -5.650 -4.250 -2.661 1.00 23.24 H new ATOM 0 HA LYS A 55 -6.300 -5.599 -5.161 1.00 2.42 H new ATOM 0 HB2 LYS A 55 -5.816 -6.792 -2.977 1.00 44.11 H new ATOM 0 HB3 LYS A 55 -7.262 -6.069 -2.302 1.00 44.11 H new ATOM 0 HG2 LYS A 55 -8.682 -7.270 -3.875 1.00 70.12 H new ATOM 0 HG3 LYS A 55 -7.291 -7.850 -4.769 1.00 70.12 H new ATOM 0 HD2 LYS A 55 -6.534 -8.993 -2.580 1.00 55.30 H new ATOM 0 HD3 LYS A 55 -8.123 -8.615 -1.943 1.00 55.30 H new ATOM 0 HE2 LYS A 55 -9.221 -9.950 -3.629 1.00 63.33 H new ATOM 0 HE3 LYS A 55 -7.746 -10.115 -4.559 1.00 63.33 H new ATOM 0 HZ1 LYS A 55 -7.874 -12.108 -3.452 1.00 34.31 H new ATOM 0 HZ2 LYS A 55 -6.847 -11.229 -2.424 1.00 34.31 H new ATOM 0 HZ3 LYS A 55 -8.486 -11.422 -2.024 1.00 34.31 H new ATOM 877 N GLU A 56 -8.434 -3.629 -3.653 1.00 5.22 N ATOM 878 CA GLU A 56 -9.756 -3.001 -3.777 1.00 53.35 C ATOM 879 C GLU A 56 -9.797 -1.640 -3.071 1.00 33.53 C ATOM 880 O GLU A 56 -9.277 -1.490 -1.967 1.00 1.11 O ATOM 881 CB GLU A 56 -10.829 -3.927 -3.181 1.00 51.24 C ATOM 882 CG GLU A 56 -12.258 -3.426 -3.368 1.00 41.11 C ATOM 883 CD GLU A 56 -12.644 -3.284 -4.831 1.00 12.43 C ATOM 884 OE1 GLU A 56 -12.753 -4.320 -5.524 1.00 64.14 O ATOM 885 OE2 GLU A 56 -12.827 -2.138 -5.298 1.00 2.43 O ATOM 0 H GLU A 56 -7.851 -3.244 -2.910 1.00 5.22 H new ATOM 0 HA GLU A 56 -9.955 -2.839 -4.836 1.00 53.35 H new ATOM 0 HB2 GLU A 56 -10.738 -4.912 -3.638 1.00 51.24 H new ATOM 0 HB3 GLU A 56 -10.635 -4.051 -2.116 1.00 51.24 H new ATOM 0 HG2 GLU A 56 -12.947 -4.116 -2.880 1.00 41.11 H new ATOM 0 HG3 GLU A 56 -12.368 -2.461 -2.872 1.00 41.11 H new ATOM 892 N ASP A 57 -10.437 -0.655 -3.698 1.00 21.04 N ATOM 893 CA ASP A 57 -10.549 0.685 -3.112 1.00 30.15 C ATOM 894 C ASP A 57 -11.978 1.223 -3.193 1.00 5.30 C ATOM 895 O ASP A 57 -12.691 0.999 -4.170 1.00 2.04 O ATOM 896 CB ASP A 57 -9.648 1.697 -3.834 1.00 74.33 C ATOM 897 CG ASP A 57 -8.195 1.297 -3.900 1.00 23.01 C ATOM 898 OD1 ASP A 57 -7.531 1.348 -2.850 1.00 10.43 O ATOM 899 OD2 ASP A 57 -7.708 0.987 -5.010 1.00 31.21 O ATOM 0 H ASP A 57 -10.885 -0.756 -4.609 1.00 21.04 H new ATOM 0 HA ASP A 57 -10.243 0.575 -2.072 1.00 30.15 H new ATOM 0 HB2 ASP A 57 -10.020 1.838 -4.849 1.00 74.33 H new ATOM 0 HB3 ASP A 57 -9.725 2.660 -3.329 1.00 74.33 H new ATOM 904 N ASN A 58 -12.383 1.966 -2.174 1.00 44.14 N ATOM 905 CA ASN A 58 -13.567 2.809 -2.282 1.00 44.53 C ATOM 906 C ASN A 58 -13.158 4.111 -2.993 1.00 62.51 C ATOM 907 O ASN A 58 -13.005 5.164 -2.374 1.00 40.44 O ATOM 908 CB ASN A 58 -14.172 3.091 -0.893 1.00 72.51 C ATOM 909 CG ASN A 58 -15.528 3.779 -0.960 1.00 3.14 C ATOM 910 OD1 ASN A 58 -15.811 4.545 -1.874 1.00 40.00 O ATOM 911 ND2 ASN A 58 -16.378 3.510 0.007 1.00 13.44 N ATOM 0 H ASN A 58 -11.914 2.004 -1.269 1.00 44.14 H new ATOM 0 HA ASN A 58 -14.339 2.301 -2.860 1.00 44.53 H new ATOM 0 HB2 ASN A 58 -14.275 2.151 -0.351 1.00 72.51 H new ATOM 0 HB3 ASN A 58 -13.483 3.714 -0.323 1.00 72.51 H new ATOM 0 HD21 ASN A 58 -17.301 3.943 0.009 1.00 13.44 H new ATOM 0 HD22 ASN A 58 -16.114 2.868 0.754 1.00 13.44 H new ATOM 918 N SER A 59 -12.905 4.001 -4.296 1.00 42.44 N ATOM 919 CA SER A 59 -12.384 5.124 -5.090 1.00 15.41 C ATOM 920 C SER A 59 -13.110 5.243 -6.430 1.00 73.20 C ATOM 921 O SER A 59 -13.218 4.261 -7.166 1.00 72.23 O ATOM 922 CB SER A 59 -10.880 4.947 -5.361 1.00 50.21 C ATOM 923 OG SER A 59 -10.123 4.935 -4.162 1.00 73.20 O ATOM 0 H SER A 59 -13.051 3.145 -4.830 1.00 42.44 H new ATOM 0 HA SER A 59 -12.552 6.031 -4.509 1.00 15.41 H new ATOM 0 HB2 SER A 59 -10.716 4.015 -5.903 1.00 50.21 H new ATOM 0 HB3 SER A 59 -10.530 5.755 -6.003 1.00 50.21 H new ATOM 0 HG SER A 59 -10.593 5.450 -3.473 1.00 73.20 H new ATOM 929 N PRO A 60 -13.581 6.454 -6.783 1.00 44.12 N ATOM 930 CA PRO A 60 -14.262 6.703 -8.068 1.00 22.15 C ATOM 931 C PRO A 60 -13.338 6.466 -9.274 1.00 52.13 C ATOM 932 O PRO A 60 -13.786 6.140 -10.375 1.00 35.14 O ATOM 933 CB PRO A 60 -14.661 8.190 -7.982 1.00 32.12 C ATOM 934 CG PRO A 60 -14.588 8.530 -6.530 1.00 14.43 C ATOM 935 CD PRO A 60 -13.488 7.680 -5.970 1.00 32.43 C ATOM 0 HA PRO A 60 -15.106 6.029 -8.217 1.00 22.15 H new ATOM 0 HB2 PRO A 60 -13.985 8.814 -8.567 1.00 32.12 H new ATOM 0 HB3 PRO A 60 -15.665 8.352 -8.375 1.00 32.12 H new ATOM 0 HG2 PRO A 60 -14.376 9.589 -6.386 1.00 14.43 H new ATOM 0 HG3 PRO A 60 -15.535 8.324 -6.031 1.00 14.43 H new ATOM 0 HD2 PRO A 60 -12.514 8.160 -6.070 1.00 32.43 H new ATOM 0 HD3 PRO A 60 -13.634 7.475 -4.910 1.00 32.43 H new ATOM 943 N ASP A 61 -12.039 6.649 -9.050 1.00 4.52 N ATOM 944 CA ASP A 61 -11.025 6.481 -10.099 1.00 60.45 C ATOM 945 C ASP A 61 -10.360 5.089 -10.048 1.00 21.23 C ATOM 946 O ASP A 61 -9.702 4.680 -11.000 1.00 1.34 O ATOM 947 CB ASP A 61 -9.965 7.575 -9.953 1.00 51.20 C ATOM 948 CG ASP A 61 -10.595 8.946 -9.795 1.00 11.14 C ATOM 949 OD1 ASP A 61 -10.941 9.312 -8.650 1.00 30.24 O ATOM 950 OD2 ASP A 61 -10.764 9.657 -10.810 1.00 4.31 O ATOM 0 H ASP A 61 -11.657 6.916 -8.143 1.00 4.52 H new ATOM 0 HA ASP A 61 -11.522 6.564 -11.066 1.00 60.45 H new ATOM 0 HB2 ASP A 61 -9.337 7.361 -9.088 1.00 51.20 H new ATOM 0 HB3 ASP A 61 -9.315 7.571 -10.828 1.00 51.20 H new ATOM 955 N GLN A 62 -10.532 4.373 -8.925 1.00 25.04 N ATOM 956 CA GLN A 62 -9.947 3.026 -8.747 1.00 41.00 C ATOM 957 C GLN A 62 -8.428 3.002 -9.029 1.00 15.00 C ATOM 958 O GLN A 62 -7.889 1.998 -9.496 1.00 70.43 O ATOM 959 CB GLN A 62 -10.670 2.019 -9.659 1.00 20.13 C ATOM 960 CG GLN A 62 -12.099 1.693 -9.227 1.00 44.53 C ATOM 961 CD GLN A 62 -12.158 0.788 -8.002 1.00 25.42 C ATOM 962 OE1 GLN A 62 -12.144 -0.431 -8.120 1.00 51.02 O ATOM 963 NE2 GLN A 62 -12.247 1.374 -6.821 1.00 4.44 N ATOM 0 H GLN A 62 -11.071 4.701 -8.124 1.00 25.04 H new ATOM 0 HA GLN A 62 -10.084 2.745 -7.703 1.00 41.00 H new ATOM 0 HB2 GLN A 62 -10.691 2.416 -10.674 1.00 20.13 H new ATOM 0 HB3 GLN A 62 -10.093 1.095 -9.690 1.00 20.13 H new ATOM 0 HG2 GLN A 62 -12.629 2.621 -9.012 1.00 44.53 H new ATOM 0 HG3 GLN A 62 -12.622 1.211 -10.053 1.00 44.53 H new ATOM 0 HE21 GLN A 62 -12.256 2.392 -6.756 1.00 4.44 H new ATOM 0 HE22 GLN A 62 -12.306 0.808 -5.974 1.00 4.44 H new ATOM 972 N VAL A 63 -7.744 4.099 -8.698 1.00 72.10 N ATOM 973 CA VAL A 63 -6.313 4.265 -9.011 1.00 13.31 C ATOM 974 C VAL A 63 -5.447 3.094 -8.502 1.00 21.30 C ATOM 975 O VAL A 63 -4.664 2.515 -9.259 1.00 1.23 O ATOM 976 CB VAL A 63 -5.763 5.587 -8.414 1.00 41.20 C ATOM 977 CG1 VAL A 63 -4.312 5.816 -8.834 1.00 73.20 C ATOM 978 CG2 VAL A 63 -6.639 6.771 -8.819 1.00 62.31 C ATOM 0 H VAL A 63 -8.157 4.894 -8.210 1.00 72.10 H new ATOM 0 HA VAL A 63 -6.249 4.288 -10.099 1.00 13.31 H new ATOM 0 HB VAL A 63 -5.788 5.501 -7.328 1.00 41.20 H new ATOM 0 HG11 VAL A 63 -3.951 6.749 -8.402 1.00 73.20 H new ATOM 0 HG12 VAL A 63 -3.696 4.990 -8.479 1.00 73.20 H new ATOM 0 HG13 VAL A 63 -4.252 5.872 -9.921 1.00 73.20 H new ATOM 0 HG21 VAL A 63 -6.234 7.687 -8.389 1.00 62.31 H new ATOM 0 HG22 VAL A 63 -6.655 6.857 -9.906 1.00 62.31 H new ATOM 0 HG23 VAL A 63 -7.653 6.615 -8.452 1.00 62.31 H new ATOM 988 N GLY A 64 -5.595 2.754 -7.222 1.00 0.42 N ATOM 989 CA GLY A 64 -4.789 1.692 -6.624 1.00 43.32 C ATOM 990 C GLY A 64 -4.906 0.358 -7.356 1.00 51.34 C ATOM 991 O GLY A 64 -3.898 -0.225 -7.771 1.00 24.34 O ATOM 0 H GLY A 64 -6.259 3.194 -6.585 1.00 0.42 H new ATOM 0 HA2 GLY A 64 -3.744 2.002 -6.613 1.00 43.32 H new ATOM 0 HA3 GLY A 64 -5.092 1.556 -5.586 1.00 43.32 H new ATOM 995 N VAL A 65 -6.135 -0.128 -7.515 1.00 42.14 N ATOM 996 CA VAL A 65 -6.402 -1.374 -8.245 1.00 65.23 C ATOM 997 C VAL A 65 -5.766 -1.365 -9.653 1.00 64.23 C ATOM 998 O VAL A 65 -5.190 -2.363 -10.089 1.00 44.01 O ATOM 999 CB VAL A 65 -7.925 -1.624 -8.375 1.00 5.42 C ATOM 1000 CG1 VAL A 65 -8.211 -2.945 -9.088 1.00 34.03 C ATOM 1001 CG2 VAL A 65 -8.598 -1.590 -7.002 1.00 24.15 C ATOM 0 H VAL A 65 -6.971 0.324 -7.146 1.00 42.14 H new ATOM 0 HA VAL A 65 -5.949 -2.179 -7.666 1.00 65.23 H new ATOM 0 HB VAL A 65 -8.345 -0.822 -8.982 1.00 5.42 H new ATOM 0 HG11 VAL A 65 -9.288 -3.092 -9.164 1.00 34.03 H new ATOM 0 HG12 VAL A 65 -7.777 -2.920 -10.088 1.00 34.03 H new ATOM 0 HG13 VAL A 65 -7.772 -3.766 -8.522 1.00 34.03 H new ATOM 0 HG21 VAL A 65 -9.667 -1.768 -7.116 1.00 24.15 H new ATOM 0 HG22 VAL A 65 -8.167 -2.364 -6.366 1.00 24.15 H new ATOM 0 HG23 VAL A 65 -8.440 -0.614 -6.543 1.00 24.15 H new ATOM 1011 N LYS A 66 -5.861 -0.230 -10.351 1.00 11.20 N ATOM 1012 CA LYS A 66 -5.301 -0.100 -11.707 1.00 11.12 C ATOM 1013 C LYS A 66 -3.766 -0.235 -11.712 1.00 63.05 C ATOM 1014 O LYS A 66 -3.178 -0.702 -12.692 1.00 1.40 O ATOM 1015 CB LYS A 66 -5.700 1.250 -12.327 1.00 35.11 C ATOM 1016 CG LYS A 66 -7.206 1.437 -12.513 1.00 53.21 C ATOM 1017 CD LYS A 66 -7.523 2.758 -13.209 1.00 70.31 C ATOM 1018 CE LYS A 66 -9.024 2.979 -13.367 1.00 60.31 C ATOM 1019 NZ LYS A 66 -9.680 1.883 -14.131 1.00 33.41 N ATOM 0 H LYS A 66 -6.319 0.613 -10.004 1.00 11.20 H new ATOM 0 HA LYS A 66 -5.714 -0.913 -12.303 1.00 11.12 H new ATOM 0 HB2 LYS A 66 -5.322 2.053 -11.694 1.00 35.11 H new ATOM 0 HB3 LYS A 66 -5.211 1.350 -13.296 1.00 35.11 H new ATOM 0 HG2 LYS A 66 -7.607 0.610 -13.099 1.00 53.21 H new ATOM 0 HG3 LYS A 66 -7.700 1.408 -11.542 1.00 53.21 H new ATOM 0 HD2 LYS A 66 -7.094 3.581 -12.636 1.00 70.31 H new ATOM 0 HD3 LYS A 66 -7.050 2.772 -14.191 1.00 70.31 H new ATOM 0 HE2 LYS A 66 -9.483 3.057 -12.381 1.00 60.31 H new ATOM 0 HE3 LYS A 66 -9.198 3.927 -13.875 1.00 60.31 H new ATOM 0 HZ1 LYS A 66 -10.657 2.155 -14.359 1.00 33.41 H new ATOM 0 HZ2 LYS A 66 -9.154 1.711 -15.012 1.00 33.41 H new ATOM 0 HZ3 LYS A 66 -9.687 1.016 -13.557 1.00 33.41 H new ATOM 1033 N MET A 67 -3.122 0.181 -10.621 1.00 62.25 N ATOM 1034 CA MET A 67 -1.656 0.113 -10.511 1.00 32.14 C ATOM 1035 C MET A 67 -1.130 -1.331 -10.607 1.00 3.33 C ATOM 1036 O MET A 67 -0.108 -1.588 -11.247 1.00 72.45 O ATOM 1037 CB MET A 67 -1.187 0.755 -9.203 1.00 20.11 C ATOM 1038 CG MET A 67 -1.374 2.265 -9.167 1.00 72.23 C ATOM 1039 SD MET A 67 -0.433 3.101 -10.461 1.00 41.15 S ATOM 1040 CE MET A 67 -0.824 4.817 -10.119 1.00 42.11 C ATOM 0 H MET A 67 -3.587 0.569 -9.800 1.00 62.25 H new ATOM 0 HA MET A 67 -1.247 0.668 -11.355 1.00 32.14 H new ATOM 0 HB2 MET A 67 -1.734 0.309 -8.372 1.00 20.11 H new ATOM 0 HB3 MET A 67 -0.133 0.524 -9.051 1.00 20.11 H new ATOM 0 HG2 MET A 67 -2.432 2.501 -9.280 1.00 72.23 H new ATOM 0 HG3 MET A 67 -1.065 2.644 -8.193 1.00 72.23 H new ATOM 0 HE1 MET A 67 -0.313 5.457 -10.839 1.00 42.11 H new ATOM 0 HE2 MET A 67 -1.901 4.968 -10.199 1.00 42.11 H new ATOM 0 HE3 MET A 67 -0.496 5.071 -9.111 1.00 42.11 H new ATOM 1050 N GLY A 68 -1.834 -2.267 -9.975 1.00 35.15 N ATOM 1051 CA GLY A 68 -1.424 -3.670 -10.005 1.00 62.15 C ATOM 1052 C GLY A 68 -0.277 -3.997 -9.047 1.00 31.13 C ATOM 1053 O GLY A 68 -0.095 -3.327 -8.030 1.00 45.12 O ATOM 0 H GLY A 68 -2.683 -2.083 -9.441 1.00 35.15 H new ATOM 0 HA2 GLY A 68 -2.282 -4.295 -9.757 1.00 62.15 H new ATOM 0 HA3 GLY A 68 -1.123 -3.930 -11.020 1.00 62.15 H new ATOM 1057 N TRP A 69 0.498 -5.033 -9.373 1.00 40.30 N ATOM 1058 CA TRP A 69 1.591 -5.495 -8.502 1.00 34.32 C ATOM 1059 C TRP A 69 2.868 -4.657 -8.679 1.00 3.21 C ATOM 1060 O TRP A 69 3.331 -4.435 -9.804 1.00 32.32 O ATOM 1061 CB TRP A 69 1.918 -6.970 -8.781 1.00 20.35 C ATOM 1062 CG TRP A 69 0.786 -7.917 -8.503 1.00 14.04 C ATOM 1063 CD1 TRP A 69 -0.113 -8.406 -9.407 1.00 31.13 C ATOM 1064 CD2 TRP A 69 0.440 -8.496 -7.240 1.00 34.24 C ATOM 1065 NE1 TRP A 69 -0.988 -9.259 -8.785 1.00 24.35 N ATOM 1066 CE2 TRP A 69 -0.671 -9.331 -7.454 1.00 24.14 C ATOM 1067 CE3 TRP A 69 0.967 -8.394 -5.949 1.00 71.41 C ATOM 1068 CZ2 TRP A 69 -1.271 -10.054 -6.428 1.00 43.10 C ATOM 1069 CZ3 TRP A 69 0.371 -9.114 -4.929 1.00 41.43 C ATOM 1070 CH2 TRP A 69 -0.735 -9.937 -5.176 1.00 64.12 C ATOM 0 H TRP A 69 0.392 -5.571 -10.233 1.00 40.30 H new ATOM 0 HA TRP A 69 1.243 -5.378 -7.476 1.00 34.32 H new ATOM 0 HB2 TRP A 69 2.215 -7.073 -9.825 1.00 20.35 H new ATOM 0 HB3 TRP A 69 2.776 -7.261 -8.175 1.00 20.35 H new ATOM 0 HD1 TRP A 69 -0.132 -8.157 -10.458 1.00 31.13 H new ATOM 0 HE1 TRP A 69 -1.752 -9.759 -9.240 1.00 24.35 H new ATOM 0 HE3 TRP A 69 1.823 -7.765 -5.752 1.00 71.41 H new ATOM 0 HZ2 TRP A 69 -2.128 -10.684 -6.614 1.00 43.10 H new ATOM 0 HZ3 TRP A 69 0.765 -9.040 -3.926 1.00 41.43 H new ATOM 0 HH2 TRP A 69 -1.174 -10.491 -4.360 1.00 64.12 H new ATOM 1081 N LYS A 70 3.438 -4.211 -7.559 1.00 52.32 N ATOM 1082 CA LYS A 70 4.715 -3.479 -7.552 1.00 11.10 C ATOM 1083 C LYS A 70 5.707 -4.126 -6.565 1.00 1.14 C ATOM 1084 O LYS A 70 5.292 -4.713 -5.561 1.00 30.23 O ATOM 1085 CB LYS A 70 4.482 -2.006 -7.170 1.00 11.50 C ATOM 1086 CG LYS A 70 3.597 -1.234 -8.148 1.00 63.25 C ATOM 1087 CD LYS A 70 4.202 -1.194 -9.552 1.00 74.00 C ATOM 1088 CE LYS A 70 3.333 -0.407 -10.528 1.00 65.42 C ATOM 1089 NZ LYS A 70 3.868 -0.472 -11.916 1.00 12.23 N ATOM 0 H LYS A 70 3.033 -4.344 -6.632 1.00 52.32 H new ATOM 0 HA LYS A 70 5.141 -3.524 -8.554 1.00 11.10 H new ATOM 0 HB2 LYS A 70 4.028 -1.967 -6.180 1.00 11.50 H new ATOM 0 HB3 LYS A 70 5.447 -1.505 -7.098 1.00 11.50 H new ATOM 0 HG2 LYS A 70 2.611 -1.698 -8.190 1.00 63.25 H new ATOM 0 HG3 LYS A 70 3.455 -0.216 -7.784 1.00 63.25 H new ATOM 0 HD2 LYS A 70 5.194 -0.744 -9.506 1.00 74.00 H new ATOM 0 HD3 LYS A 70 4.330 -2.212 -9.920 1.00 74.00 H new ATOM 0 HE2 LYS A 70 2.317 -0.801 -10.511 1.00 65.42 H new ATOM 0 HE3 LYS A 70 3.277 0.633 -10.208 1.00 65.42 H new ATOM 0 HZ1 LYS A 70 3.252 0.074 -12.551 1.00 12.23 H new ATOM 0 HZ2 LYS A 70 4.828 -0.073 -11.937 1.00 12.23 H new ATOM 0 HZ3 LYS A 70 3.898 -1.463 -12.230 1.00 12.23 H new ATOM 1103 N SER A 71 7.012 -4.022 -6.847 1.00 13.01 N ATOM 1104 CA SER A 71 8.041 -4.637 -5.976 1.00 52.44 C ATOM 1105 C SER A 71 9.477 -4.269 -6.393 1.00 21.41 C ATOM 1106 O SER A 71 10.427 -4.982 -6.064 1.00 1.03 O ATOM 1107 CB SER A 71 7.890 -6.168 -5.951 1.00 23.24 C ATOM 1108 OG SER A 71 8.078 -6.742 -7.240 1.00 34.34 O ATOM 0 H SER A 71 7.384 -3.527 -7.658 1.00 13.01 H new ATOM 0 HA SER A 71 7.875 -4.233 -4.977 1.00 52.44 H new ATOM 0 HB2 SER A 71 8.614 -6.593 -5.256 1.00 23.24 H new ATOM 0 HB3 SER A 71 6.899 -6.429 -5.579 1.00 23.24 H new ATOM 0 HG SER A 71 7.976 -7.715 -7.183 1.00 34.34 H new ATOM 1114 N LYS A 72 9.642 -3.153 -7.102 1.00 72.32 N ATOM 1115 CA LYS A 72 10.979 -2.667 -7.465 1.00 72.12 C ATOM 1116 C LYS A 72 11.509 -1.715 -6.381 1.00 1.41 C ATOM 1117 O LYS A 72 10.737 -1.174 -5.592 1.00 53.24 O ATOM 1118 CB LYS A 72 10.958 -1.930 -8.816 1.00 51.52 C ATOM 1119 CG LYS A 72 10.253 -2.679 -9.947 1.00 31.31 C ATOM 1120 CD LYS A 72 10.791 -4.093 -10.151 1.00 3.33 C ATOM 1121 CE LYS A 72 10.239 -4.719 -11.429 1.00 25.21 C ATOM 1122 NZ LYS A 72 8.762 -4.563 -11.541 1.00 70.30 N ATOM 0 H LYS A 72 8.875 -2.570 -7.436 1.00 72.32 H new ATOM 0 HA LYS A 72 11.634 -3.534 -7.549 1.00 72.12 H new ATOM 0 HB2 LYS A 72 10.470 -0.965 -8.679 1.00 51.52 H new ATOM 0 HB3 LYS A 72 11.985 -1.728 -9.119 1.00 51.52 H new ATOM 0 HG2 LYS A 72 9.186 -2.730 -9.732 1.00 31.31 H new ATOM 0 HG3 LYS A 72 10.365 -2.116 -10.874 1.00 31.31 H new ATOM 0 HD2 LYS A 72 11.880 -4.067 -10.198 1.00 3.33 H new ATOM 0 HD3 LYS A 72 10.523 -4.713 -9.295 1.00 3.33 H new ATOM 0 HE2 LYS A 72 10.718 -4.258 -12.293 1.00 25.21 H new ATOM 0 HE3 LYS A 72 10.493 -5.779 -11.451 1.00 25.21 H new ATOM 0 HZ1 LYS A 72 8.402 -5.195 -12.284 1.00 70.30 H new ATOM 0 HZ2 LYS A 72 8.317 -4.807 -10.633 1.00 70.30 H new ATOM 0 HZ3 LYS A 72 8.534 -3.578 -11.784 1.00 70.30 H new ATOM 1136 N ALA A 73 12.819 -1.477 -6.371 1.00 45.13 N ATOM 1137 CA ALA A 73 13.437 -0.572 -5.387 1.00 15.44 C ATOM 1138 C ALA A 73 13.175 0.917 -5.719 1.00 41.33 C ATOM 1139 O ALA A 73 14.001 1.786 -5.413 1.00 13.34 O ATOM 1140 CB ALA A 73 14.939 -0.842 -5.312 1.00 5.42 C ATOM 0 H ALA A 73 13.477 -1.894 -7.029 1.00 45.13 H new ATOM 0 HA ALA A 73 12.979 -0.771 -4.418 1.00 15.44 H new ATOM 0 HB1 ALA A 73 15.393 -0.171 -4.583 1.00 5.42 H new ATOM 0 HB2 ALA A 73 15.108 -1.875 -5.009 1.00 5.42 H new ATOM 0 HB3 ALA A 73 15.388 -0.673 -6.291 1.00 5.42 H new ATOM 1146 N GLY A 74 12.009 1.205 -6.304 1.00 74.31 N ATOM 1147 CA GLY A 74 11.689 2.562 -6.733 1.00 12.42 C ATOM 1148 C GLY A 74 10.281 2.696 -7.319 1.00 4.33 C ATOM 1149 O GLY A 74 10.039 3.544 -8.180 1.00 15.10 O ATOM 0 H GLY A 74 11.277 0.519 -6.489 1.00 74.31 H new ATOM 0 HA2 GLY A 74 11.787 3.237 -5.883 1.00 12.42 H new ATOM 0 HA3 GLY A 74 12.417 2.881 -7.479 1.00 12.42 H new ATOM 1153 N ASP A 75 9.352 1.853 -6.854 1.00 72.24 N ATOM 1154 CA ASP A 75 7.949 1.936 -7.282 1.00 70.13 C ATOM 1155 C ASP A 75 7.162 2.925 -6.416 1.00 43.31 C ATOM 1156 O ASP A 75 7.423 3.068 -5.221 1.00 50.23 O ATOM 1157 CB ASP A 75 7.277 0.557 -7.235 1.00 10.12 C ATOM 1158 CG ASP A 75 7.560 -0.282 -8.467 1.00 40.34 C ATOM 1159 OD1 ASP A 75 7.660 0.296 -9.571 1.00 53.25 O ATOM 1160 OD2 ASP A 75 7.659 -1.522 -8.344 1.00 32.12 O ATOM 0 H ASP A 75 9.544 1.108 -6.184 1.00 72.24 H new ATOM 0 HA ASP A 75 7.945 2.295 -8.311 1.00 70.13 H new ATOM 0 HB2 ASP A 75 7.621 0.021 -6.350 1.00 10.12 H new ATOM 0 HB3 ASP A 75 6.200 0.687 -7.130 1.00 10.12 H new ATOM 1165 N THR A 76 6.189 3.601 -7.024 1.00 42.32 N ATOM 1166 CA THR A 76 5.371 4.591 -6.315 1.00 61.45 C ATOM 1167 C THR A 76 3.879 4.410 -6.616 1.00 12.22 C ATOM 1168 O THR A 76 3.490 4.116 -7.747 1.00 1.02 O ATOM 1169 CB THR A 76 5.776 6.037 -6.695 1.00 25.04 C ATOM 1170 OG1 THR A 76 5.638 6.236 -8.112 1.00 51.52 O ATOM 1171 CG2 THR A 76 7.214 6.333 -6.273 1.00 3.12 C ATOM 0 H THR A 76 5.945 3.483 -8.007 1.00 42.32 H new ATOM 0 HA THR A 76 5.548 4.429 -5.252 1.00 61.45 H new ATOM 0 HB THR A 76 5.112 6.721 -6.167 1.00 25.04 H new ATOM 0 HG1 THR A 76 5.895 7.154 -8.340 1.00 51.52 H new ATOM 0 HG21 THR A 76 7.472 7.355 -6.552 1.00 3.12 H new ATOM 0 HG22 THR A 76 7.308 6.217 -5.193 1.00 3.12 H new ATOM 0 HG23 THR A 76 7.890 5.639 -6.772 1.00 3.12 H new ATOM 1179 N ILE A 77 3.044 4.595 -5.596 1.00 33.22 N ATOM 1180 CA ILE A 77 1.586 4.504 -5.749 1.00 73.03 C ATOM 1181 C ILE A 77 0.913 5.789 -5.244 1.00 25.32 C ATOM 1182 O ILE A 77 0.896 6.056 -4.041 1.00 70.21 O ATOM 1183 CB ILE A 77 1.005 3.293 -4.969 1.00 33.04 C ATOM 1184 CG1 ILE A 77 1.698 1.984 -5.388 1.00 4.42 C ATOM 1185 CG2 ILE A 77 -0.511 3.193 -5.167 1.00 61.52 C ATOM 1186 CD1 ILE A 77 1.528 1.638 -6.853 1.00 63.05 C ATOM 0 H ILE A 77 3.351 4.810 -4.647 1.00 33.22 H new ATOM 0 HA ILE A 77 1.381 4.369 -6.811 1.00 73.03 H new ATOM 0 HB ILE A 77 1.199 3.453 -3.908 1.00 33.04 H new ATOM 0 HG12 ILE A 77 2.762 2.061 -5.165 1.00 4.42 H new ATOM 0 HG13 ILE A 77 1.304 1.167 -4.784 1.00 4.42 H new ATOM 0 HG21 ILE A 77 -0.895 2.337 -4.611 1.00 61.52 H new ATOM 0 HG22 ILE A 77 -0.986 4.104 -4.804 1.00 61.52 H new ATOM 0 HG23 ILE A 77 -0.732 3.066 -6.227 1.00 61.52 H new ATOM 0 HD11 ILE A 77 2.045 0.703 -7.068 1.00 63.05 H new ATOM 0 HD12 ILE A 77 0.468 1.527 -7.080 1.00 63.05 H new ATOM 0 HD13 ILE A 77 1.949 2.435 -7.466 1.00 63.05 H new ATOM 1198 N VAL A 78 0.370 6.588 -6.163 1.00 3.31 N ATOM 1199 CA VAL A 78 -0.291 7.848 -5.794 1.00 3.42 C ATOM 1200 C VAL A 78 -1.823 7.715 -5.807 1.00 72.22 C ATOM 1201 O VAL A 78 -2.433 7.488 -6.854 1.00 33.04 O ATOM 1202 CB VAL A 78 0.116 8.996 -6.754 1.00 54.24 C ATOM 1203 CG1 VAL A 78 -0.509 10.320 -6.314 1.00 41.45 C ATOM 1204 CG2 VAL A 78 1.638 9.112 -6.844 1.00 1.51 C ATOM 0 H VAL A 78 0.373 6.390 -7.164 1.00 3.31 H new ATOM 0 HA VAL A 78 0.037 8.083 -4.781 1.00 3.42 H new ATOM 0 HB VAL A 78 -0.264 8.760 -7.748 1.00 54.24 H new ATOM 0 HG11 VAL A 78 -0.209 11.110 -7.002 1.00 41.45 H new ATOM 0 HG12 VAL A 78 -1.595 10.228 -6.317 1.00 41.45 H new ATOM 0 HG13 VAL A 78 -0.169 10.567 -5.308 1.00 41.45 H new ATOM 0 HG21 VAL A 78 1.902 9.923 -7.523 1.00 1.51 H new ATOM 0 HG22 VAL A 78 2.046 9.319 -5.855 1.00 1.51 H new ATOM 0 HG23 VAL A 78 2.053 8.176 -7.219 1.00 1.51 H new ATOM 1214 N CYS A 79 -2.442 7.884 -4.639 1.00 5.03 N ATOM 1215 CA CYS A 79 -3.907 7.853 -4.516 1.00 32.15 C ATOM 1216 C CYS A 79 -4.441 9.174 -3.942 1.00 42.52 C ATOM 1217 O CYS A 79 -4.754 9.266 -2.753 1.00 24.11 O ATOM 1218 CB CYS A 79 -4.357 6.679 -3.635 1.00 72.31 C ATOM 1219 SG CYS A 79 -4.033 5.047 -4.347 1.00 61.20 S ATOM 0 H CYS A 79 -1.953 8.045 -3.758 1.00 5.03 H new ATOM 0 HA CYS A 79 -4.319 7.718 -5.516 1.00 32.15 H new ATOM 0 HB2 CYS A 79 -3.852 6.749 -2.671 1.00 72.31 H new ATOM 0 HB3 CYS A 79 -5.426 6.773 -3.443 1.00 72.31 H new ATOM 0 HG CYS A 79 -4.446 4.126 -3.528 1.00 61.20 H new ATOM 1225 N LEU A 80 -4.548 10.190 -4.801 1.00 22.01 N ATOM 1226 CA LEU A 80 -5.001 11.533 -4.389 1.00 11.43 C ATOM 1227 C LEU A 80 -6.399 11.517 -3.720 1.00 1.02 C ATOM 1228 O LEU A 80 -6.570 12.108 -2.653 1.00 64.21 O ATOM 1229 CB LEU A 80 -4.990 12.494 -5.592 1.00 32.31 C ATOM 1230 CG LEU A 80 -3.608 12.741 -6.224 1.00 22.12 C ATOM 1231 CD1 LEU A 80 -3.718 13.674 -7.427 1.00 71.41 C ATOM 1232 CD2 LEU A 80 -2.633 13.310 -5.192 1.00 41.54 C ATOM 0 H LEU A 80 -4.327 10.113 -5.794 1.00 22.01 H new ATOM 0 HA LEU A 80 -4.297 11.888 -3.636 1.00 11.43 H new ATOM 0 HB2 LEU A 80 -5.656 12.098 -6.358 1.00 32.31 H new ATOM 0 HB3 LEU A 80 -5.403 13.452 -5.275 1.00 32.31 H new ATOM 0 HG LEU A 80 -3.221 11.783 -6.570 1.00 22.12 H new ATOM 0 HD11 LEU A 80 -2.729 13.833 -7.856 1.00 71.41 H new ATOM 0 HD12 LEU A 80 -4.371 13.226 -8.176 1.00 71.41 H new ATOM 0 HD13 LEU A 80 -4.133 14.630 -7.109 1.00 71.41 H new ATOM 0 HD21 LEU A 80 -1.663 13.477 -5.661 1.00 41.54 H new ATOM 0 HD22 LEU A 80 -3.018 14.255 -4.810 1.00 41.54 H new ATOM 0 HD23 LEU A 80 -2.522 12.604 -4.369 1.00 41.54 H new ATOM 1244 N PRO A 81 -7.419 10.840 -4.317 1.00 53.44 N ATOM 1245 CA PRO A 81 -8.773 10.763 -3.719 1.00 51.22 C ATOM 1246 C PRO A 81 -8.773 10.302 -2.246 1.00 44.34 C ATOM 1247 O PRO A 81 -9.697 10.598 -1.493 1.00 64.13 O ATOM 1248 CB PRO A 81 -9.494 9.738 -4.608 1.00 64.23 C ATOM 1249 CG PRO A 81 -8.803 9.832 -5.926 1.00 32.11 C ATOM 1250 CD PRO A 81 -7.360 10.136 -5.617 1.00 15.32 C ATOM 0 HA PRO A 81 -9.249 11.743 -3.689 1.00 51.22 H new ATOM 0 HB2 PRO A 81 -9.421 8.733 -4.193 1.00 64.23 H new ATOM 0 HB3 PRO A 81 -10.555 9.969 -4.699 1.00 64.23 H new ATOM 0 HG2 PRO A 81 -8.895 8.899 -6.482 1.00 32.11 H new ATOM 0 HG3 PRO A 81 -9.244 10.615 -6.543 1.00 32.11 H new ATOM 0 HD2 PRO A 81 -6.764 9.226 -5.552 1.00 15.32 H new ATOM 0 HD3 PRO A 81 -6.908 10.759 -6.389 1.00 15.32 H new ATOM 1258 N HIS A 82 -7.739 9.560 -1.841 1.00 43.32 N ATOM 1259 CA HIS A 82 -7.623 9.069 -0.458 1.00 14.42 C ATOM 1260 C HIS A 82 -6.464 9.749 0.293 1.00 1.11 C ATOM 1261 O HIS A 82 -6.275 9.515 1.487 1.00 2.21 O ATOM 1262 CB HIS A 82 -7.418 7.548 -0.449 1.00 31.41 C ATOM 1263 CG HIS A 82 -8.605 6.755 -0.916 1.00 14.14 C ATOM 1264 ND1 HIS A 82 -8.846 5.463 -0.508 1.00 42.03 N ATOM 1265 CD2 HIS A 82 -9.607 7.061 -1.776 1.00 31.12 C ATOM 1266 CE1 HIS A 82 -9.932 5.007 -1.091 1.00 23.52 C ATOM 1267 NE2 HIS A 82 -10.417 5.955 -1.861 1.00 63.24 N ATOM 0 H HIS A 82 -6.968 9.284 -2.449 1.00 43.32 H new ATOM 0 HA HIS A 82 -8.552 9.317 0.055 1.00 14.42 H new ATOM 0 HB2 HIS A 82 -6.564 7.306 -1.082 1.00 31.41 H new ATOM 0 HB3 HIS A 82 -7.164 7.235 0.564 1.00 31.41 H new ATOM 0 HD1 HIS A 82 -8.268 4.938 0.149 1.00 42.03 H new ATOM 0 HD2 HIS A 82 -9.743 7.998 -2.296 1.00 31.12 H new ATOM 0 HE1 HIS A 82 -10.354 4.021 -0.960 1.00 23.52 H new ATOM 1276 N LYS A 83 -5.701 10.588 -0.417 1.00 2.15 N ATOM 1277 CA LYS A 83 -4.513 11.253 0.149 1.00 52.30 C ATOM 1278 C LYS A 83 -3.481 10.235 0.667 1.00 15.31 C ATOM 1279 O LYS A 83 -2.765 10.487 1.639 1.00 1.33 O ATOM 1280 CB LYS A 83 -4.930 12.235 1.256 1.00 10.43 C ATOM 1281 CG LYS A 83 -5.767 13.401 0.735 1.00 2.04 C ATOM 1282 CD LYS A 83 -6.187 14.360 1.845 1.00 3.12 C ATOM 1283 CE LYS A 83 -6.893 15.589 1.276 1.00 43.02 C ATOM 1284 NZ LYS A 83 -7.306 16.549 2.334 1.00 74.14 N ATOM 0 H LYS A 83 -5.884 10.826 -1.392 1.00 2.15 H new ATOM 0 HA LYS A 83 -4.030 11.816 -0.650 1.00 52.30 H new ATOM 0 HB2 LYS A 83 -5.498 11.698 2.015 1.00 10.43 H new ATOM 0 HB3 LYS A 83 -4.037 12.625 1.743 1.00 10.43 H new ATOM 0 HG2 LYS A 83 -5.196 13.947 -0.016 1.00 2.04 H new ATOM 0 HG3 LYS A 83 -6.656 13.013 0.239 1.00 2.04 H new ATOM 0 HD2 LYS A 83 -6.850 13.846 2.541 1.00 3.12 H new ATOM 0 HD3 LYS A 83 -5.309 14.671 2.411 1.00 3.12 H new ATOM 0 HE2 LYS A 83 -6.230 16.092 0.572 1.00 43.02 H new ATOM 0 HE3 LYS A 83 -7.772 15.272 0.715 1.00 43.02 H new ATOM 0 HZ1 LYS A 83 -7.780 17.365 1.897 1.00 74.14 H new ATOM 0 HZ2 LYS A 83 -7.961 16.080 2.992 1.00 74.14 H new ATOM 0 HZ3 LYS A 83 -6.466 16.875 2.854 1.00 74.14 H new ATOM 1298 N VAL A 84 -3.391 9.098 -0.026 1.00 24.12 N ATOM 1299 CA VAL A 84 -2.454 8.024 0.329 1.00 25.30 C ATOM 1300 C VAL A 84 -1.326 7.898 -0.712 1.00 33.23 C ATOM 1301 O VAL A 84 -1.575 7.921 -1.920 1.00 50.51 O ATOM 1302 CB VAL A 84 -3.184 6.657 0.451 1.00 71.51 C ATOM 1303 CG1 VAL A 84 -2.209 5.538 0.826 1.00 23.41 C ATOM 1304 CG2 VAL A 84 -4.326 6.739 1.464 1.00 44.14 C ATOM 0 H VAL A 84 -3.962 8.894 -0.846 1.00 24.12 H new ATOM 0 HA VAL A 84 -2.022 8.289 1.294 1.00 25.30 H new ATOM 0 HB VAL A 84 -3.607 6.419 -0.525 1.00 71.51 H new ATOM 0 HG11 VAL A 84 -2.750 4.595 0.904 1.00 23.41 H new ATOM 0 HG12 VAL A 84 -1.440 5.453 0.058 1.00 23.41 H new ATOM 0 HG13 VAL A 84 -1.742 5.768 1.784 1.00 23.41 H new ATOM 0 HG21 VAL A 84 -4.822 5.771 1.532 1.00 44.14 H new ATOM 0 HG22 VAL A 84 -3.927 7.012 2.441 1.00 44.14 H new ATOM 0 HG23 VAL A 84 -5.044 7.493 1.142 1.00 44.14 H new ATOM 1314 N PHE A 85 -0.089 7.771 -0.234 1.00 61.44 N ATOM 1315 CA PHE A 85 1.079 7.576 -1.105 1.00 70.00 C ATOM 1316 C PHE A 85 1.943 6.406 -0.609 1.00 71.12 C ATOM 1317 O PHE A 85 2.291 6.334 0.569 1.00 2.33 O ATOM 1318 CB PHE A 85 1.924 8.859 -1.168 1.00 10.12 C ATOM 1319 CG PHE A 85 3.135 8.746 -2.064 1.00 45.30 C ATOM 1320 CD1 PHE A 85 3.023 8.948 -3.433 1.00 54.43 C ATOM 1321 CD2 PHE A 85 4.385 8.432 -1.542 1.00 33.43 C ATOM 1322 CE1 PHE A 85 4.126 8.837 -4.258 1.00 50.45 C ATOM 1323 CE2 PHE A 85 5.489 8.319 -2.364 1.00 41.40 C ATOM 1324 CZ PHE A 85 5.360 8.524 -3.722 1.00 51.22 C ATOM 0 H PHE A 85 0.136 7.799 0.761 1.00 61.44 H new ATOM 0 HA PHE A 85 0.716 7.341 -2.105 1.00 70.00 H new ATOM 0 HB2 PHE A 85 1.298 9.679 -1.520 1.00 10.12 H new ATOM 0 HB3 PHE A 85 2.251 9.118 -0.161 1.00 10.12 H new ATOM 0 HD1 PHE A 85 2.062 9.195 -3.859 1.00 54.43 H new ATOM 0 HD2 PHE A 85 4.494 8.274 -0.479 1.00 33.43 H new ATOM 0 HE1 PHE A 85 4.023 8.995 -5.321 1.00 50.45 H new ATOM 0 HE2 PHE A 85 6.452 8.070 -1.944 1.00 41.40 H new ATOM 0 HZ PHE A 85 6.223 8.440 -4.366 1.00 51.22 H new ATOM 1334 N VAL A 86 2.283 5.492 -1.512 1.00 40.15 N ATOM 1335 CA VAL A 86 3.115 4.333 -1.166 1.00 14.34 C ATOM 1336 C VAL A 86 4.426 4.320 -1.971 1.00 54.24 C ATOM 1337 O VAL A 86 4.408 4.289 -3.204 1.00 14.43 O ATOM 1338 CB VAL A 86 2.359 2.999 -1.418 1.00 70.43 C ATOM 1339 CG1 VAL A 86 3.211 1.800 -0.999 1.00 24.33 C ATOM 1340 CG2 VAL A 86 1.014 2.992 -0.693 1.00 3.00 C ATOM 0 H VAL A 86 1.998 5.527 -2.491 1.00 40.15 H new ATOM 0 HA VAL A 86 3.347 4.422 -0.105 1.00 14.34 H new ATOM 0 HB VAL A 86 2.167 2.917 -2.488 1.00 70.43 H new ATOM 0 HG11 VAL A 86 2.659 0.879 -1.185 1.00 24.33 H new ATOM 0 HG12 VAL A 86 4.136 1.792 -1.575 1.00 24.33 H new ATOM 0 HG13 VAL A 86 3.446 1.874 0.063 1.00 24.33 H new ATOM 0 HG21 VAL A 86 0.503 2.049 -0.884 1.00 3.00 H new ATOM 0 HG22 VAL A 86 1.178 3.106 0.379 1.00 3.00 H new ATOM 0 HG23 VAL A 86 0.401 3.817 -1.056 1.00 3.00 H new ATOM 1350 N GLU A 87 5.561 4.350 -1.272 1.00 62.14 N ATOM 1351 CA GLU A 87 6.876 4.244 -1.922 1.00 24.52 C ATOM 1352 C GLU A 87 7.543 2.908 -1.568 1.00 32.33 C ATOM 1353 O GLU A 87 7.511 2.480 -0.416 1.00 64.25 O ATOM 1354 CB GLU A 87 7.808 5.395 -1.494 1.00 72.11 C ATOM 1355 CG GLU A 87 9.159 5.378 -2.219 1.00 70.34 C ATOM 1356 CD GLU A 87 10.237 6.231 -1.556 1.00 11.13 C ATOM 1357 OE1 GLU A 87 9.948 6.906 -0.547 1.00 72.13 O ATOM 1358 OE2 GLU A 87 11.394 6.213 -2.041 1.00 51.43 O ATOM 0 H GLU A 87 5.601 4.447 -0.257 1.00 62.14 H new ATOM 0 HA GLU A 87 6.712 4.303 -2.998 1.00 24.52 H new ATOM 0 HB2 GLU A 87 7.312 6.346 -1.686 1.00 72.11 H new ATOM 0 HB3 GLU A 87 7.979 5.335 -0.419 1.00 72.11 H new ATOM 0 HG2 GLU A 87 9.513 4.349 -2.280 1.00 70.34 H new ATOM 0 HG3 GLU A 87 9.014 5.726 -3.242 1.00 70.34 H new ATOM 1365 N ILE A 88 8.147 2.247 -2.549 1.00 13.22 N ATOM 1366 CA ILE A 88 8.898 1.016 -2.287 1.00 41.41 C ATOM 1367 C ILE A 88 10.406 1.279 -2.361 1.00 4.41 C ATOM 1368 O ILE A 88 10.947 1.579 -3.429 1.00 42.32 O ATOM 1369 CB ILE A 88 8.510 -0.116 -3.269 1.00 41.44 C ATOM 1370 CG1 ILE A 88 6.992 -0.361 -3.222 1.00 33.21 C ATOM 1371 CG2 ILE A 88 9.273 -1.400 -2.931 1.00 54.01 C ATOM 1372 CD1 ILE A 88 6.521 -1.480 -4.126 1.00 43.00 C ATOM 0 H ILE A 88 8.134 2.537 -3.527 1.00 13.22 H new ATOM 0 HA ILE A 88 8.640 0.688 -1.280 1.00 41.41 H new ATOM 0 HB ILE A 88 8.782 0.188 -4.280 1.00 41.44 H new ATOM 0 HG12 ILE A 88 6.703 -0.590 -2.196 1.00 33.21 H new ATOM 0 HG13 ILE A 88 6.477 0.558 -3.500 1.00 33.21 H new ATOM 0 HG21 ILE A 88 8.989 -2.187 -3.630 1.00 54.01 H new ATOM 0 HG22 ILE A 88 10.345 -1.217 -3.006 1.00 54.01 H new ATOM 0 HG23 ILE A 88 9.029 -1.712 -1.916 1.00 54.01 H new ATOM 0 HD11 ILE A 88 5.440 -1.590 -4.036 1.00 43.00 H new ATOM 0 HD12 ILE A 88 6.777 -1.245 -5.159 1.00 43.00 H new ATOM 0 HD13 ILE A 88 7.006 -2.412 -3.835 1.00 43.00 H new ATOM 1384 N LYS A 89 11.077 1.184 -1.217 1.00 14.02 N ATOM 1385 CA LYS A 89 12.523 1.428 -1.137 1.00 3.15 C ATOM 1386 C LYS A 89 13.265 0.170 -0.675 1.00 31.45 C ATOM 1387 O LYS A 89 12.676 -0.720 -0.066 1.00 55.30 O ATOM 1388 CB LYS A 89 12.825 2.588 -0.172 1.00 61.52 C ATOM 1389 CG LYS A 89 12.330 2.350 1.255 1.00 31.44 C ATOM 1390 CD LYS A 89 12.788 3.444 2.220 1.00 74.13 C ATOM 1391 CE LYS A 89 14.304 3.456 2.391 1.00 22.22 C ATOM 1392 NZ LYS A 89 14.741 4.458 3.396 1.00 61.35 N ATOM 0 H LYS A 89 10.645 0.939 -0.326 1.00 14.02 H new ATOM 0 HA LYS A 89 12.870 1.695 -2.135 1.00 3.15 H new ATOM 0 HB2 LYS A 89 13.901 2.758 -0.149 1.00 61.52 H new ATOM 0 HB3 LYS A 89 12.366 3.498 -0.558 1.00 61.52 H new ATOM 0 HG2 LYS A 89 11.241 2.301 1.256 1.00 31.44 H new ATOM 0 HG3 LYS A 89 12.693 1.384 1.606 1.00 31.44 H new ATOM 0 HD2 LYS A 89 12.457 4.415 1.851 1.00 74.13 H new ATOM 0 HD3 LYS A 89 12.315 3.293 3.190 1.00 74.13 H new ATOM 0 HE2 LYS A 89 14.643 2.466 2.695 1.00 22.22 H new ATOM 0 HE3 LYS A 89 14.776 3.674 1.433 1.00 22.22 H new ATOM 0 HZ1 LYS A 89 15.777 4.434 3.482 1.00 61.35 H new ATOM 0 HZ2 LYS A 89 14.440 5.407 3.094 1.00 61.35 H new ATOM 0 HZ3 LYS A 89 14.312 4.236 4.317 1.00 61.35 H new ATOM 1406 N SER A 90 14.561 0.102 -0.955 1.00 45.12 N ATOM 1407 CA SER A 90 15.377 -1.046 -0.537 1.00 23.44 C ATOM 1408 C SER A 90 15.783 -0.938 0.939 1.00 75.21 C ATOM 1409 O SER A 90 16.011 0.159 1.455 1.00 34.53 O ATOM 1410 CB SER A 90 16.636 -1.155 -1.407 1.00 31.01 C ATOM 1411 OG SER A 90 17.460 -2.244 -1.002 1.00 64.12 O ATOM 0 H SER A 90 15.073 0.821 -1.467 1.00 45.12 H new ATOM 0 HA SER A 90 14.769 -1.942 -0.663 1.00 23.44 H new ATOM 0 HB2 SER A 90 16.348 -1.284 -2.450 1.00 31.01 H new ATOM 0 HB3 SER A 90 17.203 -0.226 -1.345 1.00 31.01 H new ATOM 0 HG SER A 90 16.896 -2.995 -0.722 1.00 64.12 H new ATOM 1417 N THR A 91 15.863 -2.081 1.617 1.00 33.23 N ATOM 1418 CA THR A 91 16.363 -2.126 3.001 1.00 43.15 C ATOM 1419 C THR A 91 17.854 -1.786 3.037 1.00 64.40 C ATOM 1420 O THR A 91 18.371 -1.266 4.028 1.00 42.50 O ATOM 1421 CB THR A 91 16.173 -3.522 3.638 1.00 72.55 C ATOM 1422 OG1 THR A 91 16.976 -4.486 2.946 1.00 75.42 O ATOM 1423 CG2 THR A 91 14.714 -3.957 3.596 1.00 22.10 C ATOM 0 H THR A 91 15.591 -2.988 1.238 1.00 33.23 H new ATOM 0 HA THR A 91 15.787 -1.395 3.568 1.00 43.15 H new ATOM 0 HB THR A 91 16.483 -3.459 4.681 1.00 72.55 H new ATOM 0 HG1 THR A 91 16.853 -5.368 3.355 1.00 75.42 H new ATOM 0 HG21 THR A 91 14.615 -4.942 4.052 1.00 22.10 H new ATOM 0 HG22 THR A 91 14.105 -3.240 4.146 1.00 22.10 H new ATOM 0 HG23 THR A 91 14.377 -4.001 2.560 1.00 22.10 H new ATOM 1431 N GLN A 92 18.525 -2.093 1.933 1.00 35.15 N ATOM 1432 CA GLN A 92 19.951 -1.831 1.765 1.00 5.42 C ATOM 1433 C GLN A 92 20.195 -0.353 1.382 1.00 64.14 C ATOM 1434 O GLN A 92 19.562 0.547 1.939 1.00 5.21 O ATOM 1435 CB GLN A 92 20.494 -2.786 0.695 1.00 11.14 C ATOM 1436 CG GLN A 92 20.270 -4.259 1.025 1.00 41.23 C ATOM 1437 CD GLN A 92 20.774 -5.190 -0.063 1.00 72.11 C ATOM 1438 OE1 GLN A 92 20.754 -4.861 -1.243 1.00 64.11 O ATOM 1439 NE2 GLN A 92 21.239 -6.359 0.325 1.00 13.44 N ATOM 0 H GLN A 92 18.092 -2.535 1.122 1.00 35.15 H new ATOM 0 HA GLN A 92 20.477 -2.005 2.704 1.00 5.42 H new ATOM 0 HB2 GLN A 92 20.018 -2.559 -0.259 1.00 11.14 H new ATOM 0 HB3 GLN A 92 21.562 -2.608 0.569 1.00 11.14 H new ATOM 0 HG2 GLN A 92 20.773 -4.497 1.962 1.00 41.23 H new ATOM 0 HG3 GLN A 92 19.206 -4.434 1.182 1.00 41.23 H new ATOM 0 HE21 GLN A 92 21.242 -6.603 1.315 1.00 13.44 H new ATOM 0 HE22 GLN A 92 21.596 -7.020 -0.365 1.00 13.44 H new