USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 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 -138:sc= 0.836 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 171:sc= 0.254 USER MOD Set 2.2: A 34 THR OG1 : rot -26:sc= 0.0857 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.599 USER MOD Set 3.1: A 24 ASN : amide:sc= 0.255 K(o=-3.6,f=-17!) USER MOD Set 3.2: A 27 GLN :FLIP amide:sc= -3.85! C(o=-5.5!,f=-3.6!) USER MOD Set 4.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 20 CYS SG : rot 84:sc= -0.344 USER MOD Set 4.3: A 54 SER OG : rot -51:sc= 0.978 USER MOD Set 5.1: A 6 SER OG : rot 40:sc= -0.678 USER MOD Set 5.2: A 78 CYS SG : rot -33:sc= -0.313 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.048 K(o=-0.048,f=-0.58) USER MOD Single : A 14 MET CE :methyl -170:sc= -0.864 (180deg=-1.03) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 36 ASN : amide:sc= -0.491 K(o=-0.49,f=-5.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 148:sc= -0.227 (180deg=-1.04) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.909 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.423 -11.366 -2.622 1.00 10.42 N ATOM 67 CA SER A 6 -1.032 -12.355 -1.742 1.00 13.32 C ATOM 68 C SER A 6 -0.743 -12.033 -0.279 1.00 1.55 C ATOM 69 O SER A 6 0.287 -12.431 0.263 1.00 70.20 O ATOM 70 CB SER A 6 -0.516 -13.756 -2.078 1.00 31.11 C ATOM 71 OG SER A 6 0.880 -13.852 -1.853 1.00 12.30 O ATOM 0 HA SER A 6 -2.111 -12.326 -1.897 1.00 13.32 H new ATOM 0 HB2 SER A 6 -1.037 -14.495 -1.469 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.737 -13.988 -3.120 1.00 31.11 H new ATOM 0 HG SER A 6 1.112 -13.375 -1.029 1.00 12.30 H new ATOM 77 N GLU A 7 -1.661 -11.307 0.352 1.00 25.12 N ATOM 78 CA GLU A 7 -1.504 -10.929 1.753 1.00 23.40 C ATOM 79 C GLU A 7 -1.323 -12.163 2.632 1.00 11.43 C ATOM 80 O GLU A 7 -0.659 -12.107 3.667 1.00 4.20 O ATOM 81 CB GLU A 7 -2.717 -10.125 2.226 1.00 61.41 C ATOM 82 CG GLU A 7 -2.460 -9.323 3.490 1.00 52.15 C ATOM 83 CD GLU A 7 -1.606 -8.096 3.238 1.00 32.24 C ATOM 84 OE1 GLU A 7 -2.055 -7.205 2.487 1.00 13.40 O ATOM 85 OE2 GLU A 7 -0.489 -8.025 3.792 1.00 63.30 O ATOM 0 H GLU A 7 -2.519 -10.969 -0.083 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.611 -10.310 1.838 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.024 -9.446 1.431 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.549 -10.807 2.402 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.413 -9.016 3.921 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.968 -9.959 4.226 1.00 52.15 H new ATOM 92 N GLU A 8 -1.919 -13.274 2.212 1.00 62.33 N ATOM 93 CA GLU A 8 -1.823 -14.522 2.963 1.00 22.01 C ATOM 94 C GLU A 8 -0.378 -15.006 3.030 1.00 45.53 C ATOM 95 O GLU A 8 0.140 -15.295 4.109 1.00 0.33 O ATOM 96 CB GLU A 8 -2.704 -15.597 2.322 1.00 5.22 C ATOM 97 CG GLU A 8 -2.998 -16.770 3.241 1.00 4.01 C ATOM 98 CD GLU A 8 -3.738 -17.890 2.538 1.00 65.32 C ATOM 99 OE1 GLU A 8 -4.804 -17.617 1.946 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.254 -19.040 2.580 1.00 20.33 O ATOM 0 H GLU A 8 -2.473 -13.337 1.358 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.172 -14.334 3.978 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.646 -15.145 2.011 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.215 -15.966 1.421 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.061 -17.155 3.643 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.590 -16.424 4.088 1.00 4.01 H new ATOM 107 N ILE A 9 0.265 -15.095 1.871 1.00 60.43 N ATOM 108 CA ILE A 9 1.650 -15.544 1.800 1.00 52.14 C ATOM 109 C ILE A 9 2.602 -14.481 2.336 1.00 13.42 C ATOM 110 O ILE A 9 3.644 -14.797 2.910 1.00 51.22 O ATOM 111 CB ILE A 9 2.052 -15.897 0.356 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.968 -16.751 -0.304 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.389 -16.624 0.342 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.331 -17.215 -1.698 1.00 72.45 C ATOM 0 H ILE A 9 -0.150 -14.862 0.969 1.00 60.43 H new ATOM 0 HA ILE A 9 1.724 -16.438 2.419 1.00 52.14 H new ATOM 0 HB ILE A 9 2.156 -14.973 -0.213 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.772 -17.622 0.321 1.00 51.12 H new ATOM 0 HG13 ILE A 9 0.042 -16.177 -0.350 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.660 -16.867 -0.685 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.156 -15.984 0.778 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.310 -17.543 0.923 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.517 -17.815 -2.105 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.498 -16.349 -2.338 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.239 -17.816 -1.656 1.00 72.45 H new ATOM 126 N LYS A 10 2.236 -13.217 2.146 1.00 24.45 N ATOM 127 CA LYS A 10 3.055 -12.105 2.612 1.00 53.51 C ATOM 128 C LYS A 10 3.379 -12.252 4.095 1.00 24.33 C ATOM 129 O LYS A 10 4.495 -11.964 4.528 1.00 33.51 O ATOM 130 CB LYS A 10 2.336 -10.777 2.366 1.00 74.03 C ATOM 131 CG LYS A 10 3.278 -9.608 2.137 1.00 54.41 C ATOM 132 CD LYS A 10 3.810 -9.055 3.449 1.00 65.13 C ATOM 133 CE LYS A 10 4.519 -7.725 3.247 1.00 45.24 C ATOM 134 NZ LYS A 10 3.569 -6.578 3.288 1.00 3.11 N ATOM 0 H LYS A 10 1.377 -12.938 1.672 1.00 24.45 H new ATOM 0 HA LYS A 10 3.989 -12.115 2.051 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.684 -10.882 1.499 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.697 -10.556 3.221 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.111 -9.928 1.512 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.756 -8.820 1.594 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.986 -8.926 4.151 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.500 -9.772 3.894 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.277 -7.597 4.020 1.00 45.24 H new ATOM 0 HE3 LYS A 10 5.039 -7.732 2.289 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.091 -5.690 3.146 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.860 -6.687 2.535 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 3.092 -6.556 4.212 1.00 3.11 H new ATOM 148 N ALA A 11 2.397 -12.703 4.869 1.00 50.21 N ATOM 149 CA ALA A 11 2.579 -12.892 6.302 1.00 34.33 C ATOM 150 C ALA A 11 3.512 -14.064 6.588 1.00 4.45 C ATOM 151 O ALA A 11 4.242 -14.060 7.579 1.00 53.20 O ATOM 152 CB ALA A 11 1.234 -13.107 6.982 1.00 43.42 C ATOM 0 H ALA A 11 1.467 -12.944 4.527 1.00 50.21 H new ATOM 0 HA ALA A 11 3.038 -11.990 6.706 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.386 -13.247 8.052 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.599 -12.237 6.816 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.753 -13.992 6.565 1.00 43.42 H new ATOM 158 N GLN A 12 3.482 -15.064 5.714 1.00 24.33 N ATOM 159 CA GLN A 12 4.324 -16.244 5.875 1.00 2.14 C ATOM 160 C GLN A 12 5.770 -15.934 5.501 1.00 42.14 C ATOM 161 O GLN A 12 6.700 -16.300 6.220 1.00 75.20 O ATOM 162 CB GLN A 12 3.797 -17.394 5.014 1.00 54.01 C ATOM 163 CG GLN A 12 2.587 -18.095 5.611 1.00 32.44 C ATOM 164 CD GLN A 12 2.962 -19.321 6.417 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.841 -20.451 5.943 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.420 -19.106 7.646 1.00 62.23 N ATOM 0 H GLN A 12 2.884 -15.081 4.888 1.00 24.33 H new ATOM 0 HA GLN A 12 4.294 -16.542 6.923 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.534 -17.009 4.029 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.594 -18.123 4.869 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.046 -17.397 6.250 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.908 -18.386 4.809 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.504 -18.153 7.999 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.687 -19.894 8.236 1.00 62.23 H new ATOM 175 N VAL A 13 5.952 -15.258 4.371 1.00 55.30 N ATOM 176 CA VAL A 13 7.285 -14.899 3.901 1.00 61.15 C ATOM 177 C VAL A 13 7.966 -13.935 4.866 1.00 35.34 C ATOM 178 O VAL A 13 9.149 -14.079 5.170 1.00 43.12 O ATOM 179 CB VAL A 13 7.233 -14.257 2.502 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.775 -15.271 1.465 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.321 -13.040 2.508 1.00 71.30 C ATOM 0 H VAL A 13 5.193 -14.948 3.764 1.00 55.30 H new ATOM 0 HA VAL A 13 7.861 -15.823 3.847 1.00 61.15 H new ATOM 0 HB VAL A 13 8.238 -13.929 2.235 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.745 -14.799 0.483 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.472 -16.109 1.443 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.780 -15.633 1.725 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.296 -12.599 1.512 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.314 -13.341 2.797 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.698 -12.306 3.220 1.00 71.30 H new ATOM 191 N MET A 14 7.211 -12.952 5.344 1.00 13.51 N ATOM 192 CA MET A 14 7.740 -11.965 6.277 1.00 42.15 C ATOM 193 C MET A 14 7.998 -12.591 7.644 1.00 13.12 C ATOM 194 O MET A 14 8.976 -12.260 8.313 1.00 73.12 O ATOM 195 CB MET A 14 6.771 -10.790 6.415 1.00 42.43 C ATOM 196 CG MET A 14 5.468 -11.156 7.107 1.00 3.14 C ATOM 197 SD MET A 14 5.504 -10.820 8.878 1.00 42.00 S ATOM 198 CE MET A 14 3.901 -11.446 9.374 1.00 52.44 C ATOM 0 H MET A 14 6.230 -12.818 5.100 1.00 13.51 H new ATOM 0 HA MET A 14 8.687 -11.600 5.881 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.258 -9.991 6.974 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.548 -10.395 5.424 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.650 -10.598 6.652 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.260 -12.214 6.946 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.698 -11.152 10.404 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.132 -11.034 8.721 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.896 -12.533 9.299 1.00 52.44 H new ATOM 208 N GLU A 15 7.113 -13.496 8.051 1.00 31.13 N ATOM 209 CA GLU A 15 7.245 -14.166 9.339 1.00 3.51 C ATOM 210 C GLU A 15 8.456 -15.095 9.348 1.00 40.41 C ATOM 211 O GLU A 15 9.130 -15.244 10.366 1.00 50.11 O ATOM 212 CB GLU A 15 5.976 -14.960 9.658 1.00 51.42 C ATOM 213 CG GLU A 15 6.067 -15.761 10.946 1.00 64.33 C ATOM 214 CD GLU A 15 4.742 -16.383 11.341 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.885 -16.569 10.452 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.562 -16.683 12.540 1.00 12.44 O ATOM 0 H GLU A 15 6.298 -13.781 7.508 1.00 31.13 H new ATOM 0 HA GLU A 15 7.389 -13.403 10.104 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.134 -14.271 9.727 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.765 -15.639 8.832 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.813 -16.547 10.828 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.413 -15.111 11.750 1.00 64.33 H new ATOM 223 N SER A 16 8.724 -15.717 8.205 1.00 34.34 N ATOM 224 CA SER A 16 9.850 -16.635 8.080 1.00 4.21 C ATOM 225 C SER A 16 11.169 -15.871 8.005 1.00 25.30 C ATOM 226 O SER A 16 12.168 -16.272 8.603 1.00 71.45 O ATOM 227 CB SER A 16 9.686 -17.513 6.838 1.00 21.44 C ATOM 228 OG SER A 16 10.646 -18.556 6.819 1.00 73.30 O ATOM 0 H SER A 16 8.177 -15.602 7.352 1.00 34.34 H new ATOM 0 HA SER A 16 9.867 -17.270 8.966 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.682 -17.938 6.819 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.790 -16.902 5.941 1.00 21.44 H new ATOM 0 HG SER A 16 10.519 -19.103 6.016 1.00 73.30 H new ATOM 234 N VAL A 17 11.163 -14.766 7.266 1.00 40.23 N ATOM 235 CA VAL A 17 12.358 -13.943 7.113 1.00 71.33 C ATOM 236 C VAL A 17 12.795 -13.356 8.450 1.00 73.43 C ATOM 237 O VAL A 17 13.957 -13.476 8.841 1.00 75.50 O ATOM 238 CB VAL A 17 12.124 -12.796 6.113 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.301 -11.834 6.119 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.883 -13.348 4.715 1.00 64.43 C ATOM 0 H VAL A 17 10.345 -14.420 6.764 1.00 40.23 H new ATOM 0 HA VAL A 17 13.145 -14.594 6.731 1.00 71.33 H new ATOM 0 HB VAL A 17 11.234 -12.246 6.420 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.118 -11.030 5.406 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.422 -11.413 7.117 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.209 -12.368 5.838 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.719 -12.523 4.021 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.752 -13.923 4.396 1.00 64.43 H new ATOM 0 HG23 VAL A 17 11.005 -13.993 4.725 1.00 64.43 H new ATOM 250 N ILE A 18 11.859 -12.722 9.147 1.00 20.20 N ATOM 251 CA ILE A 18 12.148 -12.117 10.441 1.00 4.21 C ATOM 252 C ILE A 18 12.875 -13.096 11.355 1.00 21.34 C ATOM 253 O ILE A 18 13.933 -12.786 11.899 1.00 62.42 O ATOM 254 CB ILE A 18 10.861 -11.638 11.139 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.200 -10.522 10.328 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.169 -11.164 12.551 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.710 -10.405 10.565 1.00 14.31 C ATOM 0 H ILE A 18 10.893 -12.614 8.837 1.00 20.20 H new ATOM 0 HA ILE A 18 12.790 -11.257 10.251 1.00 4.21 H new ATOM 0 HB ILE A 18 10.166 -12.475 11.202 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.675 -9.573 10.576 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.378 -10.700 9.267 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.250 -10.829 13.031 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.599 -11.985 13.125 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.879 -10.338 12.511 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.308 -9.594 9.958 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.223 -11.341 10.289 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.524 -10.196 11.619 1.00 14.31 H new ATOM 269 N GLY A 19 12.300 -14.284 11.519 1.00 20.44 N ATOM 270 CA GLY A 19 12.908 -15.293 12.366 1.00 33.42 C ATOM 271 C GLY A 19 14.117 -15.940 11.722 1.00 43.03 C ATOM 272 O GLY A 19 14.982 -16.481 12.412 1.00 24.14 O ATOM 0 H GLY A 19 11.423 -14.565 11.080 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.204 -14.839 13.312 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.170 -16.061 12.598 1.00 33.42 H new ATOM 276 N CYS A 20 14.179 -15.886 10.395 1.00 11.52 N ATOM 277 CA CYS A 20 15.291 -16.474 9.657 1.00 1.22 C ATOM 278 C CYS A 20 16.603 -15.778 10.007 1.00 65.11 C ATOM 279 O CYS A 20 17.596 -16.431 10.333 1.00 25.20 O ATOM 280 CB CYS A 20 15.036 -16.382 8.152 1.00 12.21 C ATOM 281 SG CYS A 20 14.480 -17.930 7.402 1.00 23.42 S ATOM 0 H CYS A 20 13.472 -15.441 9.809 1.00 11.52 H new ATOM 0 HA CYS A 20 15.370 -17.523 9.941 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.287 -15.612 7.968 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.953 -16.060 7.658 1.00 12.21 H new ATOM 0 HG CYS A 20 13.193 -18.043 7.545 1.00 23.42 H new ATOM 287 N LEU A 21 16.601 -14.452 9.935 1.00 53.41 N ATOM 288 CA LEU A 21 17.792 -13.668 10.242 1.00 51.22 C ATOM 289 C LEU A 21 17.661 -12.987 11.600 1.00 15.30 C ATOM 290 O LEU A 21 18.535 -12.223 12.012 1.00 53.22 O ATOM 291 CB LEU A 21 18.031 -12.620 9.154 1.00 25.12 C ATOM 292 CG LEU A 21 16.800 -12.187 8.356 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.977 -10.772 7.827 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.537 -13.157 7.214 1.00 52.43 C ATOM 0 H LEU A 21 15.788 -13.897 9.667 1.00 53.41 H new ATOM 0 HA LEU A 21 18.644 -14.347 10.278 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.467 -11.736 9.619 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.772 -13.012 8.457 1.00 25.12 H new ATOM 0 HG LEU A 21 15.937 -12.198 9.021 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.091 -10.481 7.262 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.116 -10.086 8.663 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.851 -10.733 7.177 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.658 -12.833 6.657 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.400 -13.179 6.549 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.364 -14.155 7.617 1.00 52.43 H new ATOM 306 N LYS A 22 16.563 -13.270 12.294 1.00 1.40 N ATOM 307 CA LYS A 22 16.318 -12.688 13.609 1.00 75.54 C ATOM 308 C LYS A 22 16.437 -11.168 13.562 1.00 52.33 C ATOM 309 O LYS A 22 17.525 -10.615 13.723 1.00 32.45 O ATOM 310 CB LYS A 22 17.302 -13.256 14.633 1.00 53.14 C ATOM 311 CG LYS A 22 17.344 -14.774 14.659 1.00 11.31 C ATOM 312 CD LYS A 22 18.378 -15.286 15.648 1.00 24.50 C ATOM 313 CE LYS A 22 18.226 -16.779 15.891 1.00 14.00 C ATOM 314 NZ LYS A 22 17.162 -17.073 16.890 1.00 54.14 N ATOM 0 H LYS A 22 15.829 -13.899 11.968 1.00 1.40 H new ATOM 0 HA LYS A 22 15.302 -12.946 13.909 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.300 -12.877 14.414 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.033 -12.891 15.624 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.361 -15.162 14.926 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.575 -15.150 13.662 1.00 11.31 H new ATOM 0 HD2 LYS A 22 19.379 -15.078 15.270 1.00 24.50 H new ATOM 0 HD3 LYS A 22 18.276 -14.751 16.592 1.00 24.50 H new ATOM 0 HE2 LYS A 22 17.989 -17.278 14.951 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.174 -17.189 16.239 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 17.090 -18.101 17.028 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 17.400 -16.618 17.795 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 16.252 -16.705 16.547 1.00 54.14 H new ATOM 328 N LEU A 23 15.311 -10.497 13.341 1.00 63.12 N ATOM 329 CA LEU A 23 15.289 -9.040 13.275 1.00 10.22 C ATOM 330 C LEU A 23 14.832 -8.442 14.602 1.00 71.20 C ATOM 331 O LEU A 23 14.338 -9.151 15.476 1.00 42.11 O ATOM 332 CB LEU A 23 14.365 -8.576 12.148 1.00 24.31 C ATOM 333 CG LEU A 23 14.931 -8.674 10.731 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.248 -7.919 10.629 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.118 -10.131 10.332 1.00 71.34 C ATOM 0 H LEU A 23 14.402 -10.939 13.205 1.00 63.12 H new ATOM 0 HA LEU A 23 16.302 -8.694 13.072 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.448 -9.163 12.193 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.089 -7.539 12.336 1.00 24.31 H new ATOM 0 HG LEU A 23 14.219 -8.217 10.043 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.636 -8.000 9.614 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.085 -6.869 10.873 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.967 -8.346 11.327 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.522 -10.182 9.321 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.810 -10.612 11.024 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.157 -10.644 10.365 1.00 71.34 H new ATOM 347 N ASN A 24 15.001 -7.131 14.743 1.00 45.20 N ATOM 348 CA ASN A 24 14.605 -6.436 15.962 1.00 65.04 C ATOM 349 C ASN A 24 13.518 -5.405 15.672 1.00 22.23 C ATOM 350 O ASN A 24 13.080 -5.254 14.532 1.00 61.52 O ATOM 351 CB ASN A 24 15.815 -5.752 16.600 1.00 25.14 C ATOM 352 CG ASN A 24 16.778 -5.199 15.567 1.00 24.34 C ATOM 353 OD1 ASN A 24 16.377 -4.481 14.651 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.055 -5.532 15.711 1.00 12.31 N ATOM 0 H ASN A 24 15.409 -6.529 14.028 1.00 45.20 H new ATOM 0 HA ASN A 24 14.205 -7.174 16.657 1.00 65.04 H new ATOM 0 HB2 ASN A 24 15.473 -4.942 17.244 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.339 -6.466 17.236 1.00 25.14 H new ATOM 0 HD21 ASN A 24 18.749 -5.190 15.047 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.342 -6.130 16.486 1.00 12.31 H new ATOM 361 N ASP A 25 13.088 -4.699 16.713 1.00 44.23 N ATOM 362 CA ASP A 25 12.053 -3.682 16.569 1.00 34.40 C ATOM 363 C ASP A 25 12.478 -2.612 15.568 1.00 23.34 C ATOM 364 O ASP A 25 11.643 -2.035 14.872 1.00 45.40 O ATOM 365 CB ASP A 25 11.751 -3.038 17.924 1.00 1.51 C ATOM 366 CG ASP A 25 11.641 -4.060 19.039 1.00 64.32 C ATOM 367 OD1 ASP A 25 12.687 -4.606 19.448 1.00 24.33 O ATOM 368 OD2 ASP A 25 10.511 -4.312 19.503 1.00 20.14 O ATOM 0 H ASP A 25 13.440 -4.812 17.664 1.00 44.23 H new ATOM 0 HA ASP A 25 11.151 -4.166 16.195 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.537 -2.323 18.167 1.00 1.51 H new ATOM 0 HB3 ASP A 25 10.819 -2.476 17.857 1.00 1.51 H new ATOM 373 N GLU A 26 13.780 -2.353 15.502 1.00 23.44 N ATOM 374 CA GLU A 26 14.314 -1.352 14.588 1.00 51.55 C ATOM 375 C GLU A 26 14.249 -1.844 13.144 1.00 41.22 C ATOM 376 O GLU A 26 13.673 -1.184 12.279 1.00 64.53 O ATOM 377 CB GLU A 26 15.759 -1.010 14.956 1.00 23.33 C ATOM 378 CG GLU A 26 15.877 -0.039 16.119 1.00 11.13 C ATOM 379 CD GLU A 26 17.198 0.704 16.128 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.223 0.097 15.754 1.00 10.11 O ATOM 381 OE2 GLU A 26 17.208 1.894 16.508 1.00 53.41 O ATOM 0 H GLU A 26 14.484 -2.823 16.071 1.00 23.44 H new ATOM 0 HA GLU A 26 13.702 -0.454 14.677 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.289 -1.929 15.206 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.256 -0.583 14.085 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.060 0.681 16.070 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.765 -0.585 17.056 1.00 11.13 H new ATOM 388 N GLN A 27 14.844 -3.005 12.893 1.00 43.14 N ATOM 389 CA GLN A 27 14.854 -3.584 11.556 1.00 70.43 C ATOM 390 C GLN A 27 13.434 -3.803 11.046 1.00 74.33 C ATOM 391 O GLN A 27 13.162 -3.657 9.854 1.00 70.11 O ATOM 392 CB GLN A 27 15.618 -4.911 11.558 1.00 60.33 C ATOM 393 CG GLN A 27 17.109 -4.754 11.306 1.00 35.01 C ATOM 394 CD GLN A 27 17.771 -3.805 12.284 1.00 64.11 C ATOM 395 OE1 GLN A 27 18.654 -4.337 13.121 1.00 33.13 O flip ATOM 396 NE2 GLN A 27 17.490 -2.606 12.289 1.00 31.11 N flip ATOM 0 H GLN A 27 15.325 -3.563 13.598 1.00 43.14 H new ATOM 0 HA GLN A 27 15.356 -2.884 10.888 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.470 -5.405 12.519 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.196 -5.565 10.795 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.589 -5.730 11.372 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.265 -4.390 10.291 1.00 35.01 H new ATOM 0 HE21 GLN A 27 16.805 -2.240 11.628 1.00 31.11 H new ATOM 0 HE22 GLN A 27 17.942 -1.979 12.955 1.00 31.11 H new ATOM 405 N LYS A 28 12.531 -4.154 11.955 1.00 33.40 N ATOM 406 CA LYS A 28 11.138 -4.391 11.599 1.00 0.31 C ATOM 407 C LYS A 28 10.421 -3.078 11.300 1.00 73.13 C ATOM 408 O LYS A 28 9.409 -3.059 10.599 1.00 33.23 O ATOM 409 CB LYS A 28 10.420 -5.130 12.730 1.00 10.45 C ATOM 410 CG LYS A 28 10.945 -6.535 12.968 1.00 2.22 C ATOM 411 CD LYS A 28 10.674 -6.999 14.390 1.00 53.25 C ATOM 412 CE LYS A 28 9.235 -7.460 14.560 1.00 14.30 C ATOM 413 NZ LYS A 28 8.919 -7.775 15.981 1.00 1.02 N ATOM 0 H LYS A 28 12.740 -4.281 12.945 1.00 33.40 H new ATOM 0 HA LYS A 28 11.119 -5.008 10.700 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.519 -4.554 13.650 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.356 -5.183 12.500 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.477 -7.223 12.264 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.017 -6.561 12.774 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.351 -7.815 14.643 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.881 -6.186 15.085 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.560 -6.683 14.201 1.00 14.30 H new ATOM 0 HE3 LYS A 28 9.061 -8.343 13.945 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.929 -8.086 16.056 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.546 -8.534 16.316 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 9.060 -6.926 16.565 1.00 1.02 H new ATOM 427 N GLN A 29 10.953 -1.983 11.834 1.00 54.00 N ATOM 428 CA GLN A 29 10.364 -0.667 11.623 1.00 31.22 C ATOM 429 C GLN A 29 10.931 -0.011 10.370 1.00 50.15 C ATOM 430 O GLN A 29 10.266 0.802 9.727 1.00 72.44 O ATOM 431 CB GLN A 29 10.612 0.227 12.839 1.00 30.00 C ATOM 432 CG GLN A 29 9.635 -0.011 13.980 1.00 61.43 C ATOM 433 CD GLN A 29 8.371 0.815 13.848 1.00 52.42 C ATOM 434 OE1 GLN A 29 7.451 0.450 13.117 1.00 3.31 O ATOM 435 NE2 GLN A 29 8.320 1.937 14.558 1.00 52.22 N ATOM 0 H GLN A 29 11.791 -1.982 12.416 1.00 54.00 H new ATOM 0 HA GLN A 29 9.290 -0.795 11.488 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.627 0.061 13.200 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.550 1.271 12.531 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.372 -1.068 14.013 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.122 0.226 14.926 1.00 61.43 H new ATOM 0 HE21 GLN A 29 9.106 2.201 15.151 1.00 52.22 H new ATOM 0 HE22 GLN A 29 7.494 2.534 14.510 1.00 52.22 H new ATOM 444 N ILE A 30 12.165 -0.368 10.029 1.00 2.02 N ATOM 445 CA ILE A 30 12.822 0.186 8.851 1.00 13.22 C ATOM 446 C ILE A 30 12.774 -0.793 7.683 1.00 11.13 C ATOM 447 O ILE A 30 13.589 -0.719 6.763 1.00 22.43 O ATOM 448 CB ILE A 30 14.290 0.548 9.143 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.080 -0.705 9.526 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.369 1.589 10.249 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.921 -1.258 8.397 1.00 63.02 C ATOM 0 H ILE A 30 12.730 -1.038 10.551 1.00 2.02 H new ATOM 0 HA ILE A 30 12.279 1.093 8.584 1.00 13.22 H new ATOM 0 HB ILE A 30 14.731 0.971 8.241 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.728 -0.472 10.371 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.385 -1.475 9.861 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.413 1.834 10.444 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.836 2.489 9.941 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.914 1.191 11.156 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.453 -2.145 8.740 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.276 -1.523 7.559 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.641 -0.505 8.077 1.00 63.02 H new ATOM 463 N LEU A 31 11.813 -1.710 7.725 1.00 64.14 N ATOM 464 CA LEU A 31 11.657 -2.704 6.669 1.00 21.12 C ATOM 465 C LEU A 31 10.610 -2.259 5.652 1.00 14.43 C ATOM 466 O LEU A 31 9.706 -1.488 5.975 1.00 1.54 O ATOM 467 CB LEU A 31 11.261 -4.054 7.267 1.00 41.11 C ATOM 468 CG LEU A 31 11.951 -5.282 6.671 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.173 -6.341 7.738 1.00 40.33 C ATOM 470 CD2 LEU A 31 11.133 -5.845 5.518 1.00 12.21 C ATOM 0 H LEU A 31 11.130 -1.785 8.479 1.00 64.14 H new ATOM 0 HA LEU A 31 12.614 -2.807 6.157 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.468 -4.029 8.337 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.184 -4.177 7.154 1.00 41.11 H new ATOM 0 HG LEU A 31 12.924 -4.977 6.285 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.665 -7.207 7.295 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.801 -5.933 8.530 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.213 -6.644 8.156 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.638 -6.718 5.106 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.146 -6.134 5.879 1.00 12.21 H new ATOM 0 HD23 LEU A 31 11.028 -5.087 4.742 1.00 12.21 H new ATOM 482 N SER A 32 10.740 -2.749 4.424 1.00 11.55 N ATOM 483 CA SER A 32 9.806 -2.401 3.359 1.00 52.24 C ATOM 484 C SER A 32 9.797 -3.472 2.273 1.00 35.45 C ATOM 485 O SER A 32 10.821 -4.090 1.985 1.00 30.51 O ATOM 486 CB SER A 32 10.175 -1.046 2.752 1.00 52.12 C ATOM 487 OG SER A 32 9.808 -0.983 1.384 1.00 54.11 O ATOM 0 H SER A 32 11.483 -3.388 4.141 1.00 11.55 H new ATOM 0 HA SER A 32 8.807 -2.338 3.791 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.675 -0.249 3.303 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.247 -0.879 2.852 1.00 52.12 H new ATOM 0 HG SER A 32 9.919 -0.066 1.057 1.00 54.11 H new ATOM 493 N GLY A 33 8.630 -3.686 1.672 1.00 1.31 N ATOM 494 CA GLY A 33 8.507 -4.683 0.625 1.00 55.30 C ATOM 495 C GLY A 33 9.460 -4.434 -0.527 1.00 2.44 C ATOM 496 O GLY A 33 9.906 -5.373 -1.188 1.00 22.34 O ATOM 0 H GLY A 33 7.768 -3.187 1.892 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.698 -5.671 1.044 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.483 -4.688 0.251 1.00 55.30 H new ATOM 500 N THR A 34 9.775 -3.166 -0.770 1.00 51.35 N ATOM 501 CA THR A 34 10.679 -2.795 -1.851 1.00 3.10 C ATOM 502 C THR A 34 12.093 -2.564 -1.331 1.00 64.01 C ATOM 503 O THR A 34 12.789 -1.653 -1.779 1.00 73.14 O ATOM 504 CB THR A 34 10.197 -1.525 -2.577 1.00 42.35 C ATOM 505 OG1 THR A 34 10.325 -0.390 -1.714 1.00 2.24 O ATOM 506 CG2 THR A 34 8.749 -1.671 -3.020 1.00 32.33 C ATOM 0 H THR A 34 9.417 -2.377 -0.232 1.00 51.35 H new ATOM 0 HA THR A 34 10.685 -3.626 -2.556 1.00 3.10 H new ATOM 0 HB THR A 34 10.818 -1.381 -3.461 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.276 -0.682 -0.780 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.431 -0.762 -3.530 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.660 -2.518 -3.700 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.117 -1.838 -2.148 1.00 32.33 H new ATOM 514 N THR A 35 12.512 -3.396 -0.383 1.00 44.01 N ATOM 515 CA THR A 35 13.844 -3.282 0.200 1.00 42.43 C ATOM 516 C THR A 35 14.582 -4.614 0.150 1.00 0.31 C ATOM 517 O THR A 35 14.243 -5.549 0.875 1.00 42.14 O ATOM 518 CB THR A 35 13.779 -2.798 1.661 1.00 23.32 C ATOM 519 OG1 THR A 35 13.160 -1.509 1.723 1.00 14.23 O ATOM 520 CG2 THR A 35 15.170 -2.728 2.270 1.00 52.31 C ATOM 0 H THR A 35 11.949 -4.156 -0.002 1.00 44.01 H new ATOM 0 HA THR A 35 14.387 -2.547 -0.394 1.00 42.43 H new ATOM 0 HB THR A 35 13.186 -3.513 2.231 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.398 -1.072 2.568 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.099 -2.384 3.302 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.627 -3.717 2.248 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.783 -2.033 1.697 1.00 52.31 H new ATOM 528 N ASN A 36 15.593 -4.695 -0.710 1.00 22.34 N ATOM 529 CA ASN A 36 16.378 -5.915 -0.853 1.00 3.42 C ATOM 530 C ASN A 36 16.928 -6.370 0.495 1.00 24.22 C ATOM 531 O ASN A 36 17.880 -5.790 1.019 1.00 54.35 O ATOM 532 CB ASN A 36 17.530 -5.692 -1.836 1.00 23.01 C ATOM 533 CG ASN A 36 18.015 -6.985 -2.462 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.864 -8.062 -1.884 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.601 -6.884 -3.649 1.00 21.54 N ATOM 0 H ASN A 36 15.887 -3.930 -1.318 1.00 22.34 H new ATOM 0 HA ASN A 36 15.723 -6.695 -1.240 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.206 -5.010 -2.622 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.358 -5.210 -1.317 1.00 23.01 H new ATOM 0 HD21 ASN A 36 18.948 -7.720 -4.119 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.704 -5.970 -4.091 1.00 21.54 H new ATOM 542 N LEU A 37 16.322 -7.412 1.053 1.00 42.04 N ATOM 543 CA LEU A 37 16.749 -7.947 2.341 1.00 41.12 C ATOM 544 C LEU A 37 18.147 -8.551 2.243 1.00 34.43 C ATOM 545 O LEU A 37 18.786 -8.830 3.257 1.00 41.43 O ATOM 546 CB LEU A 37 15.757 -9.003 2.832 1.00 32.32 C ATOM 547 CG LEU A 37 14.276 -8.646 2.699 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.405 -9.827 3.100 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.944 -7.425 3.543 1.00 73.30 C ATOM 0 H LEU A 37 15.533 -7.904 0.633 1.00 42.04 H new ATOM 0 HA LEU A 37 16.778 -7.125 3.057 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.938 -9.926 2.282 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.967 -9.210 3.881 1.00 32.32 H new ATOM 0 HG LEU A 37 14.071 -8.407 1.655 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.354 -9.555 2.999 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.624 -10.677 2.453 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.612 -10.097 4.136 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.886 -7.186 3.436 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.164 -7.635 4.590 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.543 -6.578 3.209 1.00 73.30 H new ATOM 561 N ALA A 38 18.614 -8.749 1.015 1.00 11.43 N ATOM 562 CA ALA A 38 19.937 -9.316 0.785 1.00 64.01 C ATOM 563 C ALA A 38 21.025 -8.262 0.960 1.00 74.52 C ATOM 564 O ALA A 38 22.010 -8.482 1.665 1.00 11.43 O ATOM 565 CB ALA A 38 20.014 -9.929 -0.606 1.00 72.25 C ATOM 0 H ALA A 38 18.097 -8.525 0.165 1.00 11.43 H new ATOM 0 HA ALA A 38 20.103 -10.098 1.526 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.007 -10.349 -0.764 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.268 -10.718 -0.698 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.822 -9.160 -1.354 1.00 72.25 H new ATOM 571 N LYS A 39 20.840 -7.115 0.316 1.00 24.43 N ATOM 572 CA LYS A 39 21.806 -6.025 0.401 1.00 74.40 C ATOM 573 C LYS A 39 21.544 -5.161 1.631 1.00 20.11 C ATOM 574 O LYS A 39 22.456 -4.879 2.409 1.00 33.41 O ATOM 575 CB LYS A 39 21.745 -5.163 -0.862 1.00 32.01 C ATOM 576 CG LYS A 39 23.085 -4.568 -1.257 1.00 13.31 C ATOM 577 CD LYS A 39 23.048 -3.992 -2.662 1.00 0.14 C ATOM 578 CE LYS A 39 22.993 -5.091 -3.713 1.00 0.24 C ATOM 579 NZ LYS A 39 23.379 -4.590 -5.060 1.00 32.20 N ATOM 0 H LYS A 39 20.030 -6.916 -0.271 1.00 24.43 H new ATOM 0 HA LYS A 39 22.801 -6.461 0.489 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.368 -5.768 -1.687 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.030 -4.355 -0.706 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.359 -3.786 -0.549 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.856 -5.336 -1.198 1.00 13.31 H new ATOM 0 HD2 LYS A 39 22.179 -3.342 -2.767 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.930 -3.374 -2.826 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.659 -5.904 -3.423 1.00 0.24 H new ATOM 0 HE3 LYS A 39 21.985 -5.504 -3.754 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 23.329 -5.369 -5.748 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.728 -3.831 -5.348 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.350 -4.219 -5.027 1.00 32.20 H new ATOM 593 N ASP A 40 20.293 -4.746 1.801 1.00 63.34 N ATOM 594 CA ASP A 40 19.912 -3.917 2.939 1.00 12.34 C ATOM 595 C ASP A 40 20.404 -4.529 4.247 1.00 41.35 C ATOM 596 O ASP A 40 21.250 -3.955 4.934 1.00 11.14 O ATOM 597 CB ASP A 40 18.393 -3.742 2.983 1.00 60.32 C ATOM 598 CG ASP A 40 17.965 -2.628 3.918 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.389 -1.473 3.698 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.206 -2.910 4.867 1.00 43.03 O ATOM 0 H ASP A 40 19.527 -4.970 1.166 1.00 63.34 H new ATOM 0 HA ASP A 40 20.380 -2.940 2.818 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.025 -3.531 1.979 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.932 -4.677 3.301 1.00 60.32 H new ATOM 605 N PHE A 41 19.868 -5.697 4.586 1.00 51.23 N ATOM 606 CA PHE A 41 20.251 -6.387 5.814 1.00 55.34 C ATOM 607 C PHE A 41 21.587 -7.101 5.641 1.00 13.42 C ATOM 608 O PHE A 41 22.108 -7.702 6.580 1.00 4.32 O ATOM 609 CB PHE A 41 19.170 -7.391 6.217 1.00 32.53 C ATOM 610 CG PHE A 41 17.863 -6.750 6.586 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.829 -5.649 7.427 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.668 -7.247 6.093 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.627 -5.058 7.769 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.463 -6.660 6.430 1.00 63.51 C ATOM 615 CZ PHE A 41 15.443 -5.563 7.268 1.00 32.44 C ATOM 0 H PHE A 41 19.168 -6.186 4.028 1.00 51.23 H new ATOM 0 HA PHE A 41 20.357 -5.643 6.603 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.005 -8.085 5.393 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.528 -7.979 7.062 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.752 -5.248 7.820 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.678 -8.105 5.437 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.614 -4.202 8.427 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.539 -7.059 6.039 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.503 -5.101 7.531 1.00 32.44 H new ATOM 625 N ASN A 42 22.137 -7.033 4.433 1.00 62.01 N ATOM 626 CA ASN A 42 23.413 -7.675 4.135 1.00 43.41 C ATOM 627 C ASN A 42 23.385 -9.148 4.530 1.00 32.20 C ATOM 628 O ASN A 42 24.343 -9.666 5.106 1.00 14.03 O ATOM 629 CB ASN A 42 24.550 -6.960 4.868 1.00 74.50 C ATOM 630 CG ASN A 42 25.854 -7.005 4.095 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.838 -7.588 4.550 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.866 -6.387 2.920 1.00 71.31 N ATOM 0 H ASN A 42 21.719 -6.540 3.644 1.00 62.01 H new ATOM 0 HA ASN A 42 23.584 -7.608 3.061 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.270 -5.921 5.042 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.694 -7.420 5.846 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.715 -6.383 2.355 1.00 71.31 H new ATOM 0 HD22 ASN A 42 25.026 -5.916 2.583 1.00 71.31 H new ATOM 639 N LEU A 43 22.281 -9.818 4.217 1.00 0.14 N ATOM 640 CA LEU A 43 22.129 -11.234 4.537 1.00 4.12 C ATOM 641 C LEU A 43 23.255 -12.057 3.920 1.00 55.50 C ATOM 642 O LEU A 43 23.807 -11.691 2.882 1.00 12.51 O ATOM 643 CB LEU A 43 20.775 -11.745 4.041 1.00 2.23 C ATOM 644 CG LEU A 43 19.560 -11.358 4.884 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.274 -11.797 4.201 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.661 -11.964 6.276 1.00 61.35 C ATOM 0 H LEU A 43 21.479 -9.404 3.742 1.00 0.14 H new ATOM 0 HA LEU A 43 22.178 -11.344 5.620 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.620 -11.377 3.027 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.819 -12.833 3.982 1.00 2.23 H new ATOM 0 HG LEU A 43 19.542 -10.273 4.983 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.420 -11.513 4.816 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.196 -11.314 3.227 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.283 -12.879 4.070 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.787 -11.678 6.862 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.705 -13.050 6.198 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.563 -11.599 6.767 1.00 61.35 H new ATOM 658 N ASP A 44 23.588 -13.170 4.564 1.00 13.11 N ATOM 659 CA ASP A 44 24.646 -14.047 4.077 1.00 72.53 C ATOM 660 C ASP A 44 24.091 -15.073 3.093 1.00 75.24 C ATOM 661 O ASP A 44 22.910 -15.415 3.139 1.00 40.44 O ATOM 662 CB ASP A 44 25.326 -14.760 5.247 1.00 51.15 C ATOM 663 CG ASP A 44 26.767 -15.123 4.945 1.00 21.20 C ATOM 664 OD1 ASP A 44 26.988 -16.082 4.177 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.673 -14.448 5.477 1.00 30.42 O ATOM 0 H ASP A 44 23.141 -13.486 5.424 1.00 13.11 H new ATOM 0 HA ASP A 44 25.383 -13.434 3.558 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.293 -14.119 6.128 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.770 -15.665 5.490 1.00 51.15 H new ATOM 670 N SER A 45 24.952 -15.559 2.204 1.00 65.32 N ATOM 671 CA SER A 45 24.547 -16.542 1.206 1.00 60.12 C ATOM 672 C SER A 45 23.877 -17.742 1.867 1.00 31.24 C ATOM 673 O SER A 45 23.049 -18.421 1.256 1.00 40.22 O ATOM 674 CB SER A 45 25.757 -17.003 0.393 1.00 63.42 C ATOM 675 OG SER A 45 26.810 -17.426 1.241 1.00 12.42 O ATOM 0 H SER A 45 25.934 -15.288 2.155 1.00 65.32 H new ATOM 0 HA SER A 45 23.828 -16.069 0.537 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.466 -17.821 -0.266 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.103 -16.189 -0.243 1.00 63.42 H new ATOM 0 HG SER A 45 27.571 -17.717 0.697 1.00 12.42 H new ATOM 681 N LEU A 46 24.240 -18.000 3.118 1.00 71.33 N ATOM 682 CA LEU A 46 23.676 -19.119 3.864 1.00 25.25 C ATOM 683 C LEU A 46 22.232 -18.834 4.265 1.00 62.14 C ATOM 684 O LEU A 46 21.345 -19.663 4.061 1.00 62.33 O ATOM 685 CB LEU A 46 24.516 -19.403 5.111 1.00 13.24 C ATOM 686 CG LEU A 46 25.720 -20.324 4.913 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.798 -19.626 4.099 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.273 -20.776 6.257 1.00 75.23 C ATOM 0 H LEU A 46 24.923 -17.449 3.638 1.00 71.33 H new ATOM 0 HA LEU A 46 23.688 -19.996 3.217 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.872 -18.453 5.509 1.00 13.24 H new ATOM 0 HB3 LEU A 46 23.868 -19.843 5.869 1.00 13.24 H new ATOM 0 HG LEU A 46 25.392 -21.206 4.363 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.647 -20.297 3.968 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.397 -19.353 3.123 1.00 42.14 H new ATOM 0 HD13 LEU A 46 27.123 -18.727 4.622 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.129 -21.431 6.096 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.585 -19.905 6.834 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.501 -21.316 6.805 1.00 75.23 H new ATOM 700 N ASP A 47 22.003 -17.654 4.833 1.00 2.12 N ATOM 701 CA ASP A 47 20.666 -17.257 5.258 1.00 55.22 C ATOM 702 C ASP A 47 19.685 -17.312 4.091 1.00 62.23 C ATOM 703 O ASP A 47 18.602 -17.885 4.203 1.00 64.30 O ATOM 704 CB ASP A 47 20.695 -15.848 5.851 1.00 35.55 C ATOM 705 CG ASP A 47 20.226 -15.817 7.293 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.029 -16.078 7.533 1.00 73.34 O ATOM 707 OD2 ASP A 47 21.057 -15.531 8.181 1.00 22.24 O ATOM 0 H ASP A 47 22.726 -16.957 5.009 1.00 2.12 H new ATOM 0 HA ASP A 47 20.331 -17.958 6.022 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.709 -15.453 5.793 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.063 -15.192 5.252 1.00 35.55 H new ATOM 712 N PHE A 48 20.072 -16.711 2.971 1.00 64.30 N ATOM 713 CA PHE A 48 19.226 -16.689 1.783 1.00 64.44 C ATOM 714 C PHE A 48 18.788 -18.099 1.402 1.00 11.41 C ATOM 715 O PHE A 48 17.620 -18.338 1.096 1.00 74.22 O ATOM 716 CB PHE A 48 19.969 -16.040 0.614 1.00 22.22 C ATOM 717 CG PHE A 48 19.058 -15.506 -0.453 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.416 -14.289 -0.292 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.841 -16.224 -1.619 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.577 -13.796 -1.273 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.002 -15.735 -2.604 1.00 10.41 C ATOM 722 CZ PHE A 48 17.369 -14.520 -2.430 1.00 43.02 C ATOM 0 H PHE A 48 20.966 -16.233 2.861 1.00 64.30 H new ATOM 0 HA PHE A 48 18.337 -16.101 2.011 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.587 -15.226 0.994 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.644 -16.773 0.171 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.573 -13.719 0.611 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.332 -17.175 -1.760 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.084 -12.845 -1.135 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.842 -16.303 -3.509 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.713 -14.137 -3.197 1.00 43.02 H new ATOM 732 N VAL A 49 19.735 -19.033 1.421 1.00 31.14 N ATOM 733 CA VAL A 49 19.449 -20.420 1.078 1.00 4.02 C ATOM 734 C VAL A 49 18.324 -20.979 1.942 1.00 75.11 C ATOM 735 O VAL A 49 17.316 -21.466 1.429 1.00 13.45 O ATOM 736 CB VAL A 49 20.696 -21.308 1.242 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.350 -22.768 0.989 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.806 -20.845 0.309 1.00 40.22 C ATOM 0 H VAL A 49 20.707 -18.853 1.671 1.00 31.14 H new ATOM 0 HA VAL A 49 19.140 -20.430 0.033 1.00 4.02 H new ATOM 0 HB VAL A 49 21.053 -21.217 2.268 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.244 -23.380 1.110 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.591 -23.091 1.701 1.00 42.05 H new ATOM 0 HG13 VAL A 49 19.967 -22.881 -0.025 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.680 -21.484 0.438 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.462 -20.905 -0.724 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.072 -19.814 0.543 1.00 40.22 H new ATOM 748 N ASP A 50 18.503 -20.905 3.256 1.00 22.50 N ATOM 749 CA ASP A 50 17.502 -21.402 4.193 1.00 13.12 C ATOM 750 C ASP A 50 16.173 -20.678 4.004 1.00 71.13 C ATOM 751 O ASP A 50 15.105 -21.247 4.234 1.00 54.43 O ATOM 752 CB ASP A 50 17.990 -21.231 5.632 1.00 0.42 C ATOM 753 CG ASP A 50 19.211 -22.076 5.935 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.094 -23.319 5.900 1.00 24.13 O ATOM 755 OD2 ASP A 50 20.281 -21.496 6.209 1.00 60.22 O ATOM 0 H ASP A 50 19.332 -20.506 3.697 1.00 22.50 H new ATOM 0 HA ASP A 50 17.349 -22.463 3.993 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.225 -20.182 5.810 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.187 -21.499 6.319 1.00 0.42 H new ATOM 760 N LEU A 51 16.245 -19.421 3.582 1.00 21.14 N ATOM 761 CA LEU A 51 15.047 -18.617 3.362 1.00 73.32 C ATOM 762 C LEU A 51 14.227 -19.170 2.202 1.00 12.04 C ATOM 763 O LEU A 51 13.056 -19.513 2.365 1.00 41.05 O ATOM 764 CB LEU A 51 15.429 -17.162 3.085 1.00 42.44 C ATOM 765 CG LEU A 51 15.432 -16.226 4.294 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.399 -15.073 4.074 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.029 -15.704 4.568 1.00 62.45 C ATOM 0 H LEU A 51 17.120 -18.936 3.385 1.00 21.14 H new ATOM 0 HA LEU A 51 14.439 -18.660 4.266 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.423 -17.147 2.637 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.739 -16.761 2.343 1.00 42.44 H new ATOM 0 HG LEU A 51 15.764 -16.790 5.165 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.388 -14.417 4.945 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.406 -15.465 3.928 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.098 -14.509 3.191 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.050 -15.040 5.432 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.668 -15.156 3.698 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.362 -16.542 4.771 1.00 62.45 H new ATOM 779 N ILE A 52 14.850 -19.255 1.031 1.00 42.41 N ATOM 780 CA ILE A 52 14.178 -19.769 -0.156 1.00 64.52 C ATOM 781 C ILE A 52 13.763 -21.224 0.035 1.00 62.04 C ATOM 782 O ILE A 52 12.703 -21.643 -0.428 1.00 73.21 O ATOM 783 CB ILE A 52 15.077 -19.662 -1.403 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.398 -20.398 -1.170 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.330 -18.202 -1.748 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.377 -20.259 -2.315 1.00 45.42 C ATOM 0 H ILE A 52 15.819 -18.975 0.879 1.00 42.41 H new ATOM 0 HA ILE A 52 13.289 -19.157 -0.306 1.00 64.52 H new ATOM 0 HB ILE A 52 14.566 -20.130 -2.244 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.860 -20.018 -0.259 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.191 -21.456 -1.006 1.00 60.25 H new ATOM 0 HG21 ILE A 52 15.966 -18.142 -2.631 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.381 -17.706 -1.951 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.824 -17.711 -0.910 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.290 -20.806 -2.081 1.00 45.42 H new ATOM 0 HD12 ILE A 52 16.934 -20.665 -3.224 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.613 -19.206 -2.466 1.00 45.42 H new ATOM 798 N MET A 53 14.607 -21.990 0.720 1.00 51.11 N ATOM 799 CA MET A 53 14.326 -23.398 0.974 1.00 32.40 C ATOM 800 C MET A 53 13.144 -23.553 1.926 1.00 13.42 C ATOM 801 O MET A 53 12.287 -24.413 1.730 1.00 74.24 O ATOM 802 CB MET A 53 15.560 -24.089 1.558 1.00 44.13 C ATOM 803 CG MET A 53 16.653 -24.348 0.533 1.00 25.10 C ATOM 804 SD MET A 53 17.339 -26.011 0.654 1.00 72.30 S ATOM 805 CE MET A 53 15.876 -27.002 0.362 1.00 3.12 C ATOM 0 H MET A 53 15.490 -21.659 1.109 1.00 51.11 H new ATOM 0 HA MET A 53 14.070 -23.869 0.025 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.965 -23.474 2.361 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.259 -25.037 2.004 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.250 -24.198 -0.468 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.452 -23.619 0.668 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.157 -27.925 -0.145 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.402 -27.241 1.314 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.177 -26.444 -0.261 1.00 3.12 H new ATOM 815 N SER A 54 13.106 -22.716 2.957 1.00 2.33 N ATOM 816 CA SER A 54 12.032 -22.763 3.941 1.00 62.54 C ATOM 817 C SER A 54 10.689 -22.438 3.296 1.00 44.30 C ATOM 818 O SER A 54 9.721 -23.187 3.437 1.00 20.01 O ATOM 819 CB SER A 54 12.312 -21.783 5.082 1.00 71.54 C ATOM 820 OG SER A 54 12.233 -20.441 4.632 1.00 73.12 O ATOM 0 H SER A 54 13.807 -21.996 3.133 1.00 2.33 H new ATOM 0 HA SER A 54 11.987 -23.775 4.344 1.00 62.54 H new ATOM 0 HB2 SER A 54 11.595 -21.943 5.887 1.00 71.54 H new ATOM 0 HB3 SER A 54 13.303 -21.974 5.495 1.00 71.54 H new ATOM 0 HG SER A 54 12.785 -20.332 3.830 1.00 73.12 H new ATOM 826 N LEU A 55 10.637 -21.316 2.586 1.00 14.25 N ATOM 827 CA LEU A 55 9.413 -20.890 1.916 1.00 10.24 C ATOM 828 C LEU A 55 8.986 -21.906 0.861 1.00 75.25 C ATOM 829 O LEU A 55 7.804 -22.223 0.733 1.00 71.11 O ATOM 830 CB LEU A 55 9.613 -19.519 1.269 1.00 41.14 C ATOM 831 CG LEU A 55 9.218 -18.311 2.119 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.733 -17.025 1.491 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.708 -18.253 2.296 1.00 42.13 C ATOM 0 H LEU A 55 11.428 -20.685 2.459 1.00 14.25 H new ATOM 0 HA LEU A 55 8.624 -20.820 2.665 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.664 -19.418 0.996 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.039 -19.489 0.343 1.00 41.14 H new ATOM 0 HG LEU A 55 9.675 -18.419 3.103 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.442 -16.176 2.110 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.820 -17.066 1.418 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.306 -16.911 0.494 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.446 -17.387 2.904 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.230 -18.170 1.320 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.365 -19.161 2.792 1.00 42.13 H new ATOM 845 N GLU A 56 9.958 -22.415 0.110 1.00 54.04 N ATOM 846 CA GLU A 56 9.683 -23.396 -0.933 1.00 2.32 C ATOM 847 C GLU A 56 8.988 -24.625 -0.353 1.00 62.44 C ATOM 848 O GLU A 56 7.940 -25.045 -0.842 1.00 54.25 O ATOM 849 CB GLU A 56 10.981 -23.811 -1.630 1.00 1.43 C ATOM 850 CG GLU A 56 10.760 -24.643 -2.881 1.00 42.31 C ATOM 851 CD GLU A 56 10.821 -26.133 -2.609 1.00 5.51 C ATOM 852 OE1 GLU A 56 9.850 -26.673 -2.039 1.00 62.11 O ATOM 853 OE2 GLU A 56 11.841 -26.760 -2.967 1.00 14.34 O ATOM 0 H GLU A 56 10.942 -22.164 0.205 1.00 54.04 H new ATOM 0 HA GLU A 56 9.019 -22.935 -1.664 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.544 -22.916 -1.894 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.594 -24.378 -0.930 1.00 1.43 H new ATOM 0 HG2 GLU A 56 9.789 -24.395 -3.311 1.00 42.31 H new ATOM 0 HG3 GLU A 56 11.513 -24.382 -3.624 1.00 42.31 H new ATOM 860 N GLU A 57 9.581 -25.195 0.690 1.00 54.50 N ATOM 861 CA GLU A 57 9.020 -26.377 1.336 1.00 24.33 C ATOM 862 C GLU A 57 7.769 -26.019 2.131 1.00 63.24 C ATOM 863 O GLU A 57 6.925 -26.876 2.400 1.00 51.32 O ATOM 864 CB GLU A 57 10.057 -27.022 2.257 1.00 70.42 C ATOM 865 CG GLU A 57 10.313 -26.236 3.531 1.00 45.51 C ATOM 866 CD GLU A 57 11.303 -26.922 4.452 1.00 41.40 C ATOM 867 OE1 GLU A 57 11.871 -27.957 4.045 1.00 54.44 O ATOM 868 OE2 GLU A 57 11.511 -26.424 5.578 1.00 54.52 O ATOM 0 H GLU A 57 10.449 -24.859 1.106 1.00 54.50 H new ATOM 0 HA GLU A 57 8.744 -27.089 0.558 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.722 -28.025 2.520 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.995 -27.131 1.713 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.689 -25.246 3.273 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.371 -26.092 4.060 1.00 45.51 H new ATOM 875 N ARG A 58 7.655 -24.749 2.506 1.00 53.32 N ATOM 876 CA ARG A 58 6.508 -24.279 3.273 1.00 13.33 C ATOM 877 C ARG A 58 5.234 -24.334 2.434 1.00 74.53 C ATOM 878 O ARG A 58 4.247 -24.956 2.827 1.00 31.54 O ATOM 879 CB ARG A 58 6.747 -22.848 3.761 1.00 54.15 C ATOM 880 CG ARG A 58 5.595 -22.283 4.577 1.00 74.42 C ATOM 881 CD ARG A 58 5.876 -22.365 6.069 1.00 52.45 C ATOM 882 NE ARG A 58 4.728 -22.874 6.814 1.00 53.44 N ATOM 883 CZ ARG A 58 4.781 -23.227 8.095 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.918 -23.124 8.767 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.693 -23.682 8.704 1.00 23.43 N ATOM 0 H ARG A 58 8.343 -24.027 2.291 1.00 53.32 H new ATOM 0 HA ARG A 58 6.385 -24.935 4.135 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.654 -22.826 4.365 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.921 -22.204 2.899 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.423 -21.244 4.295 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.682 -22.831 4.347 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.736 -23.012 6.241 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.142 -21.376 6.443 1.00 52.45 H new ATOM 0 HE ARG A 58 3.837 -22.964 6.325 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.755 -22.773 8.302 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.956 -23.395 9.749 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.816 -23.761 8.189 1.00 23.43 H new ATOM 0 HH22 ARG A 58 3.734 -23.953 9.687 1.00 23.43 H new ATOM 899 N PHE A 59 5.263 -23.680 1.278 1.00 13.35 N ATOM 900 CA PHE A 59 4.111 -23.653 0.386 1.00 45.43 C ATOM 901 C PHE A 59 4.196 -24.774 -0.647 1.00 63.14 C ATOM 902 O PHE A 59 3.499 -24.753 -1.661 1.00 53.21 O ATOM 903 CB PHE A 59 4.017 -22.300 -0.322 1.00 45.14 C ATOM 904 CG PHE A 59 3.595 -21.178 0.584 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.525 -20.513 1.365 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.266 -20.791 0.655 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.139 -19.480 2.199 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.875 -19.759 1.487 1.00 62.10 C ATOM 909 CZ PHE A 59 2.812 -19.104 2.261 1.00 34.21 C ATOM 0 H PHE A 59 6.072 -23.161 0.937 1.00 13.35 H new ATOM 0 HA PHE A 59 3.215 -23.803 0.988 1.00 45.43 H new ATOM 0 HB2 PHE A 59 4.986 -22.059 -0.759 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.307 -22.378 -1.145 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.564 -20.805 1.322 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.528 -21.301 0.054 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.875 -18.968 2.801 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.837 -19.465 1.532 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.508 -18.299 2.914 1.00 34.21 H new ATOM 919 N SER A 60 5.058 -25.750 -0.381 1.00 31.03 N ATOM 920 CA SER A 60 5.240 -26.877 -1.288 1.00 23.01 C ATOM 921 C SER A 60 5.515 -26.393 -2.708 1.00 74.45 C ATOM 922 O SER A 60 5.226 -27.090 -3.681 1.00 64.52 O ATOM 923 CB SER A 60 4.001 -27.776 -1.274 1.00 35.11 C ATOM 924 OG SER A 60 3.539 -27.986 0.049 1.00 74.33 O ATOM 0 H SER A 60 5.641 -25.783 0.455 1.00 31.03 H new ATOM 0 HA SER A 60 6.101 -27.451 -0.946 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.211 -27.321 -1.871 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.238 -28.734 -1.736 1.00 35.11 H new ATOM 0 HG SER A 60 2.746 -28.562 0.031 1.00 74.33 H new ATOM 930 N LEU A 61 6.075 -25.194 -2.820 1.00 21.40 N ATOM 931 CA LEU A 61 6.390 -24.613 -4.121 1.00 71.22 C ATOM 932 C LEU A 61 7.621 -25.276 -4.728 1.00 54.53 C ATOM 933 O LEU A 61 8.361 -25.980 -4.042 1.00 0.43 O ATOM 934 CB LEU A 61 6.620 -23.107 -3.987 1.00 74.25 C ATOM 935 CG LEU A 61 6.718 -22.325 -5.297 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.509 -22.603 -6.177 1.00 25.20 C ATOM 937 CD2 LEU A 61 6.845 -20.833 -5.019 1.00 62.50 C ATOM 0 H LEU A 61 6.321 -24.604 -2.025 1.00 21.40 H new ATOM 0 HA LEU A 61 5.543 -24.786 -4.784 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.807 -22.686 -3.396 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.539 -22.949 -3.423 1.00 74.25 H new ATOM 0 HG LEU A 61 7.611 -22.654 -5.828 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.597 -22.038 -7.105 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.461 -23.668 -6.404 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.601 -22.303 -5.654 1.00 25.20 H new ATOM 0 HD21 LEU A 61 6.914 -20.292 -5.963 1.00 62.50 H new ATOM 0 HD22 LEU A 61 5.970 -20.490 -4.467 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.742 -20.648 -4.428 1.00 62.50 H new ATOM 949 N GLU A 62 7.835 -25.045 -6.019 1.00 64.11 N ATOM 950 CA GLU A 62 8.978 -25.619 -6.719 1.00 40.54 C ATOM 951 C GLU A 62 9.913 -24.523 -7.224 1.00 32.21 C ATOM 952 O GLU A 62 9.720 -23.981 -8.312 1.00 65.30 O ATOM 953 CB GLU A 62 8.507 -26.482 -7.891 1.00 3.23 C ATOM 954 CG GLU A 62 9.643 -27.061 -8.717 1.00 44.02 C ATOM 955 CD GLU A 62 9.656 -28.577 -8.711 1.00 2.22 C ATOM 956 OE1 GLU A 62 10.164 -29.161 -7.731 1.00 33.24 O ATOM 957 OE2 GLU A 62 9.158 -29.179 -9.684 1.00 32.41 O ATOM 0 H GLU A 62 7.232 -24.464 -6.602 1.00 64.11 H new ATOM 0 HA GLU A 62 9.526 -26.245 -6.014 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.896 -27.299 -7.507 1.00 3.23 H new ATOM 0 HB3 GLU A 62 7.867 -25.882 -8.539 1.00 3.23 H new ATOM 0 HG2 GLU A 62 9.558 -26.706 -9.744 1.00 44.02 H new ATOM 0 HG3 GLU A 62 10.593 -26.692 -8.330 1.00 44.02 H new ATOM 964 N ILE A 63 10.926 -24.204 -6.425 1.00 12.34 N ATOM 965 CA ILE A 63 11.891 -23.175 -6.791 1.00 13.42 C ATOM 966 C ILE A 63 13.171 -23.792 -7.343 1.00 50.35 C ATOM 967 O ILE A 63 13.666 -24.790 -6.821 1.00 1.03 O ATOM 968 CB ILE A 63 12.243 -22.280 -5.588 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.975 -21.670 -4.988 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.216 -21.188 -6.006 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.195 -21.020 -3.641 1.00 31.30 C ATOM 0 H ILE A 63 11.099 -24.643 -5.521 1.00 12.34 H new ATOM 0 HA ILE A 63 11.423 -22.565 -7.563 1.00 13.42 H new ATOM 0 HB ILE A 63 12.723 -22.895 -4.826 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.577 -20.928 -5.680 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.220 -22.449 -4.887 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.455 -20.564 -5.145 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.130 -21.642 -6.390 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.762 -20.574 -6.784 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.253 -20.609 -3.277 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.564 -21.763 -2.934 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.927 -20.218 -3.739 1.00 31.30 H new ATOM 983 N SER A 64 13.703 -23.189 -8.403 1.00 62.12 N ATOM 984 CA SER A 64 14.926 -23.682 -9.027 1.00 24.42 C ATOM 985 C SER A 64 16.075 -22.700 -8.820 1.00 43.13 C ATOM 986 O SER A 64 15.944 -21.720 -8.087 1.00 51.43 O ATOM 987 CB SER A 64 14.701 -23.913 -10.523 1.00 11.30 C ATOM 988 OG SER A 64 13.379 -23.567 -10.899 1.00 62.42 O ATOM 0 H SER A 64 13.307 -22.360 -8.846 1.00 62.12 H new ATOM 0 HA SER A 64 15.191 -24.628 -8.555 1.00 24.42 H new ATOM 0 HB2 SER A 64 15.413 -23.320 -11.097 1.00 11.30 H new ATOM 0 HB3 SER A 64 14.889 -24.959 -10.765 1.00 11.30 H new ATOM 0 HG SER A 64 13.261 -23.722 -11.859 1.00 62.42 H new ATOM 994 N ASP A 65 17.201 -22.971 -9.470 1.00 62.34 N ATOM 995 CA ASP A 65 18.374 -22.112 -9.359 1.00 23.42 C ATOM 996 C ASP A 65 18.174 -20.816 -10.138 1.00 74.13 C ATOM 997 O ASP A 65 18.576 -19.743 -9.688 1.00 54.05 O ATOM 998 CB ASP A 65 19.616 -22.842 -9.870 1.00 52.11 C ATOM 999 CG ASP A 65 20.902 -22.132 -9.494 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.044 -21.748 -8.314 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.765 -21.958 -10.379 1.00 71.50 O ATOM 0 H ASP A 65 17.326 -23.779 -10.080 1.00 62.34 H new ATOM 0 HA ASP A 65 18.515 -21.864 -8.307 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.631 -23.854 -9.465 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.559 -22.934 -10.955 1.00 52.11 H new ATOM 1006 N GLU A 66 17.553 -20.924 -11.308 1.00 21.54 N ATOM 1007 CA GLU A 66 17.302 -19.760 -12.149 1.00 3.53 C ATOM 1008 C GLU A 66 16.161 -18.917 -11.587 1.00 44.45 C ATOM 1009 O GLU A 66 16.161 -17.691 -11.710 1.00 51.24 O ATOM 1010 CB GLU A 66 16.971 -20.197 -13.578 1.00 13.04 C ATOM 1011 CG GLU A 66 17.746 -19.439 -14.642 1.00 65.22 C ATOM 1012 CD GLU A 66 17.825 -20.193 -15.956 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.253 -21.301 -16.038 1.00 23.41 O ATOM 1014 OE2 GLU A 66 18.458 -19.678 -16.900 1.00 75.31 O ATOM 0 H GLU A 66 17.215 -21.805 -11.695 1.00 21.54 H new ATOM 0 HA GLU A 66 18.207 -19.153 -12.162 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.178 -21.262 -13.680 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.904 -20.061 -13.752 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.273 -18.472 -14.811 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.755 -19.242 -14.280 1.00 65.22 H new ATOM 1021 N ASP A 67 15.192 -19.582 -10.968 1.00 50.34 N ATOM 1022 CA ASP A 67 14.046 -18.895 -10.384 1.00 4.40 C ATOM 1023 C ASP A 67 14.495 -17.873 -9.345 1.00 63.04 C ATOM 1024 O ASP A 67 13.902 -16.803 -9.213 1.00 63.01 O ATOM 1025 CB ASP A 67 13.090 -19.903 -9.747 1.00 31.35 C ATOM 1026 CG ASP A 67 12.484 -20.851 -10.764 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.844 -20.751 -11.956 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.651 -21.692 -10.369 1.00 23.01 O ATOM 0 H ASP A 67 15.177 -20.596 -10.858 1.00 50.34 H new ATOM 0 HA ASP A 67 13.525 -18.368 -11.183 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.625 -20.479 -8.992 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.292 -19.367 -9.233 1.00 31.35 H new ATOM 1033 N ALA A 68 15.547 -18.212 -8.606 1.00 50.52 N ATOM 1034 CA ALA A 68 16.076 -17.325 -7.578 1.00 14.12 C ATOM 1035 C ALA A 68 16.758 -16.110 -8.200 1.00 75.14 C ATOM 1036 O ALA A 68 16.889 -15.067 -7.559 1.00 20.01 O ATOM 1037 CB ALA A 68 17.049 -18.077 -6.682 1.00 45.43 C ATOM 0 H ALA A 68 16.049 -19.095 -8.701 1.00 50.52 H new ATOM 0 HA ALA A 68 15.241 -16.971 -6.973 1.00 14.12 H new ATOM 0 HB1 ALA A 68 17.436 -17.402 -5.919 1.00 45.43 H new ATOM 0 HB2 ALA A 68 16.533 -18.909 -6.203 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.875 -18.459 -7.282 1.00 45.43 H new ATOM 1043 N GLN A 69 17.189 -16.254 -9.448 1.00 33.43 N ATOM 1044 CA GLN A 69 17.858 -15.167 -10.154 1.00 50.50 C ATOM 1045 C GLN A 69 16.935 -13.963 -10.301 1.00 42.43 C ATOM 1046 O GLN A 69 17.388 -12.847 -10.555 1.00 20.02 O ATOM 1047 CB GLN A 69 18.325 -15.639 -11.532 1.00 42.55 C ATOM 1048 CG GLN A 69 19.767 -15.270 -11.846 1.00 42.41 C ATOM 1049 CD GLN A 69 20.765 -16.163 -11.136 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.997 -17.302 -11.546 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.364 -15.651 -10.067 1.00 70.11 N ATOM 0 H GLN A 69 17.087 -17.111 -9.991 1.00 33.43 H new ATOM 0 HA GLN A 69 18.726 -14.865 -9.567 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.214 -16.722 -11.593 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.675 -15.209 -12.294 1.00 42.55 H new ATOM 0 HG2 GLN A 69 19.929 -15.334 -12.922 1.00 42.41 H new ATOM 0 HG3 GLN A 69 19.944 -14.234 -11.559 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.142 -14.703 -9.763 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.046 -16.206 -9.550 1.00 70.11 H new ATOM 1060 N LYS A 70 15.637 -14.196 -10.140 1.00 74.45 N ATOM 1061 CA LYS A 70 14.648 -13.131 -10.254 1.00 1.53 C ATOM 1062 C LYS A 70 14.012 -12.832 -8.900 1.00 1.43 C ATOM 1063 O LYS A 70 13.007 -12.124 -8.817 1.00 51.12 O ATOM 1064 CB LYS A 70 13.564 -13.518 -11.263 1.00 34.22 C ATOM 1065 CG LYS A 70 12.735 -14.717 -10.834 1.00 63.44 C ATOM 1066 CD LYS A 70 11.283 -14.570 -11.257 1.00 33.11 C ATOM 1067 CE LYS A 70 11.140 -14.570 -12.772 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.746 -14.877 -13.197 1.00 44.31 N ATOM 0 H LYS A 70 15.245 -15.114 -9.930 1.00 74.45 H new ATOM 0 HA LYS A 70 15.157 -12.233 -10.604 1.00 1.53 H new ATOM 0 HB2 LYS A 70 12.902 -12.666 -11.418 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.033 -13.736 -12.222 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.152 -15.624 -11.271 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.790 -14.830 -9.751 1.00 63.44 H new ATOM 0 HD2 LYS A 70 10.696 -15.386 -10.835 1.00 33.11 H new ATOM 0 HD3 LYS A 70 10.877 -13.643 -10.852 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.433 -13.596 -13.165 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.821 -15.305 -13.201 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.690 -14.868 -14.235 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.474 -15.817 -12.844 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.099 -14.161 -12.809 1.00 44.31 H new ATOM 1082 N LEU A 71 14.605 -13.373 -7.842 1.00 13.15 N ATOM 1083 CA LEU A 71 14.097 -13.162 -6.490 1.00 10.42 C ATOM 1084 C LEU A 71 15.168 -12.544 -5.596 1.00 61.30 C ATOM 1085 O LEU A 71 16.161 -13.191 -5.263 1.00 61.23 O ATOM 1086 CB LEU A 71 13.619 -14.486 -5.891 1.00 23.55 C ATOM 1087 CG LEU A 71 12.577 -15.253 -6.706 1.00 21.50 C ATOM 1088 CD1 LEU A 71 12.379 -16.650 -6.139 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.258 -14.495 -6.733 1.00 12.53 C ATOM 0 H LEU A 71 15.437 -13.961 -7.893 1.00 13.15 H new ATOM 0 HA LEU A 71 13.256 -12.472 -6.548 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.486 -15.131 -5.748 1.00 23.55 H new ATOM 0 HB3 LEU A 71 13.204 -14.286 -4.903 1.00 23.55 H new ATOM 0 HG LEU A 71 12.941 -15.346 -7.729 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.634 -17.181 -6.732 1.00 21.03 H new ATOM 0 HD12 LEU A 71 13.323 -17.193 -6.172 1.00 21.03 H new ATOM 0 HD13 LEU A 71 12.037 -16.579 -5.106 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.528 -15.055 -7.317 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.889 -14.370 -5.715 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.410 -13.515 -7.186 1.00 12.53 H new ATOM 1101 N GLU A 72 14.959 -11.290 -5.211 1.00 14.33 N ATOM 1102 CA GLU A 72 15.906 -10.586 -4.355 1.00 73.52 C ATOM 1103 C GLU A 72 15.176 -9.741 -3.314 1.00 43.43 C ATOM 1104 O GLU A 72 15.518 -9.760 -2.131 1.00 73.12 O ATOM 1105 CB GLU A 72 16.824 -9.696 -5.196 1.00 41.34 C ATOM 1106 CG GLU A 72 16.077 -8.767 -6.137 1.00 21.33 C ATOM 1107 CD GLU A 72 16.990 -8.106 -7.152 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.224 -8.216 -7.000 1.00 52.00 O ATOM 1109 OE2 GLU A 72 16.469 -7.480 -8.098 1.00 42.31 O ATOM 0 H GLU A 72 14.142 -10.740 -5.478 1.00 14.33 H new ATOM 0 HA GLU A 72 16.509 -11.331 -3.836 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.448 -9.100 -4.530 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.494 -10.328 -5.779 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.305 -9.331 -6.661 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.570 -7.998 -5.555 1.00 21.33 H new ATOM 1116 N THR A 73 14.168 -9.000 -3.763 1.00 72.44 N ATOM 1117 CA THR A 73 13.390 -8.148 -2.873 1.00 4.34 C ATOM 1118 C THR A 73 12.173 -8.887 -2.328 1.00 12.00 C ATOM 1119 O THR A 73 11.731 -9.882 -2.902 1.00 42.34 O ATOM 1120 CB THR A 73 12.921 -6.868 -3.590 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.299 -7.203 -4.834 1.00 4.12 O ATOM 1122 CG2 THR A 73 14.090 -5.927 -3.838 1.00 4.33 C ATOM 0 H THR A 73 13.871 -8.973 -4.739 1.00 72.44 H new ATOM 0 HA THR A 73 14.045 -7.874 -2.046 1.00 4.34 H new ATOM 0 HB THR A 73 12.199 -6.363 -2.948 1.00 65.13 H new ATOM 0 HG1 THR A 73 12.002 -6.384 -5.283 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.734 -5.030 -4.345 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.542 -5.650 -2.886 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.833 -6.426 -4.461 1.00 4.33 H new ATOM 1130 N VAL A 74 11.636 -8.393 -1.218 1.00 44.25 N ATOM 1131 CA VAL A 74 10.467 -9.008 -0.596 1.00 71.10 C ATOM 1132 C VAL A 74 9.291 -9.055 -1.565 1.00 60.12 C ATOM 1133 O VAL A 74 8.706 -10.113 -1.794 1.00 22.51 O ATOM 1134 CB VAL A 74 10.043 -8.246 0.673 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.932 -8.992 1.398 1.00 52.13 C ATOM 1136 CG2 VAL A 74 11.237 -8.029 1.589 1.00 34.04 C ATOM 0 H VAL A 74 11.990 -7.570 -0.730 1.00 44.25 H new ATOM 0 HA VAL A 74 10.750 -10.025 -0.323 1.00 71.10 H new ATOM 0 HB VAL A 74 9.660 -7.269 0.378 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.645 -8.438 2.292 1.00 52.13 H new ATOM 0 HG12 VAL A 74 8.069 -9.089 0.739 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.285 -9.983 1.682 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.918 -7.489 2.481 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.653 -8.994 1.879 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.997 -7.448 1.065 1.00 34.04 H new ATOM 1146 N ASP A 75 8.951 -7.903 -2.131 1.00 22.54 N ATOM 1147 CA ASP A 75 7.845 -7.814 -3.077 1.00 40.14 C ATOM 1148 C ASP A 75 8.005 -8.836 -4.198 1.00 70.00 C ATOM 1149 O ASP A 75 7.060 -9.548 -4.540 1.00 42.53 O ATOM 1150 CB ASP A 75 7.763 -6.404 -3.666 1.00 63.23 C ATOM 1151 CG ASP A 75 6.486 -6.179 -4.452 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.395 -6.402 -3.888 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.578 -5.781 -5.632 1.00 1.32 O ATOM 0 H ASP A 75 9.425 -7.018 -1.951 1.00 22.54 H new ATOM 0 HA ASP A 75 6.922 -8.031 -2.540 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.824 -5.673 -2.860 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.621 -6.234 -4.316 1.00 63.23 H new ATOM 1158 N ASP A 76 9.204 -8.904 -4.765 1.00 53.01 N ATOM 1159 CA ASP A 76 9.487 -9.840 -5.847 1.00 32.13 C ATOM 1160 C ASP A 76 9.238 -11.278 -5.400 1.00 4.15 C ATOM 1161 O ASP A 76 8.580 -12.049 -6.098 1.00 73.03 O ATOM 1162 CB ASP A 76 10.932 -9.683 -6.321 1.00 73.52 C ATOM 1163 CG ASP A 76 11.152 -8.396 -7.091 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.217 -7.570 -7.145 1.00 14.20 O ATOM 1165 OD2 ASP A 76 12.259 -8.215 -7.642 1.00 43.24 O ATOM 0 H ASP A 76 9.996 -8.322 -4.493 1.00 53.01 H new ATOM 0 HA ASP A 76 8.815 -9.614 -6.675 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.599 -9.706 -5.459 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.198 -10.531 -6.952 1.00 73.52 H new ATOM 1170 N ILE A 77 9.771 -11.630 -4.236 1.00 33.41 N ATOM 1171 CA ILE A 77 9.606 -12.974 -3.696 1.00 42.01 C ATOM 1172 C ILE A 77 8.133 -13.312 -3.501 1.00 14.23 C ATOM 1173 O ILE A 77 7.638 -14.310 -4.028 1.00 4.43 O ATOM 1174 CB ILE A 77 10.342 -13.136 -2.353 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.836 -12.857 -2.527 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.119 -14.532 -1.791 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.500 -12.320 -1.278 1.00 0.20 C ATOM 0 H ILE A 77 10.321 -11.004 -3.648 1.00 33.41 H new ATOM 0 HA ILE A 77 10.040 -13.661 -4.423 1.00 42.01 H new ATOM 0 HB ILE A 77 9.938 -12.412 -1.645 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.337 -13.777 -2.828 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.972 -12.141 -3.337 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.646 -14.630 -0.842 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.053 -14.695 -1.633 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.499 -15.273 -2.495 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.558 -12.145 -1.475 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.025 -11.383 -0.988 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.396 -13.045 -0.470 1.00 0.20 H new ATOM 1189 N CYS A 78 7.435 -12.474 -2.742 1.00 61.25 N ATOM 1190 CA CYS A 78 6.016 -12.683 -2.477 1.00 2.14 C ATOM 1191 C CYS A 78 5.233 -12.810 -3.780 1.00 72.24 C ATOM 1192 O CYS A 78 4.293 -13.599 -3.877 1.00 42.05 O ATOM 1193 CB CYS A 78 5.457 -11.531 -1.642 1.00 33.40 C ATOM 1194 SG CYS A 78 3.947 -11.939 -0.737 1.00 42.35 S ATOM 0 H CYS A 78 7.829 -11.644 -2.299 1.00 61.25 H new ATOM 0 HA CYS A 78 5.909 -13.612 -1.918 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.218 -11.209 -0.931 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.256 -10.685 -2.299 1.00 33.40 H new ATOM 0 HG CYS A 78 3.245 -12.789 -1.425 1.00 42.35 H new ATOM 1200 N ARG A 79 5.626 -12.026 -4.779 1.00 42.12 N ATOM 1201 CA ARG A 79 4.959 -12.049 -6.075 1.00 32.51 C ATOM 1202 C ARG A 79 5.149 -13.398 -6.761 1.00 62.11 C ATOM 1203 O ARG A 79 4.196 -13.984 -7.276 1.00 54.33 O ATOM 1204 CB ARG A 79 5.497 -10.929 -6.969 1.00 34.14 C ATOM 1205 CG ARG A 79 4.509 -10.466 -8.026 1.00 33.33 C ATOM 1206 CD ARG A 79 4.329 -11.510 -9.116 1.00 43.34 C ATOM 1207 NE ARG A 79 3.951 -10.910 -10.393 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.077 -11.528 -11.563 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.569 -12.758 -11.615 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.711 -10.915 -12.681 1.00 72.00 N ATOM 0 H ARG A 79 6.402 -11.368 -4.716 1.00 42.12 H new ATOM 0 HA ARG A 79 3.893 -11.893 -5.910 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.774 -10.079 -6.345 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.407 -11.273 -7.460 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.547 -10.256 -7.559 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.858 -9.533 -8.468 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.257 -12.069 -9.239 1.00 43.34 H new ATOM 0 HD3 ARG A 79 3.564 -12.224 -8.811 1.00 43.34 H new ATOM 0 HE ARG A 79 3.569 -9.964 -10.387 1.00 64.15 H new ATOM 0 HH11 ARG A 79 4.851 -13.231 -10.757 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.665 -13.231 -12.513 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.333 -9.969 -12.643 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.808 -11.390 -13.578 1.00 72.00 H new ATOM 1224 N TYR A 80 6.385 -13.884 -6.764 1.00 65.34 N ATOM 1225 CA TYR A 80 6.701 -15.164 -7.390 1.00 50.23 C ATOM 1226 C TYR A 80 5.945 -16.302 -6.713 1.00 33.42 C ATOM 1227 O TYR A 80 5.466 -17.225 -7.374 1.00 3.40 O ATOM 1228 CB TYR A 80 8.206 -15.428 -7.327 1.00 55.12 C ATOM 1229 CG TYR A 80 8.590 -16.839 -7.711 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.615 -17.855 -6.764 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.928 -17.156 -9.020 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.965 -19.146 -7.110 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.278 -18.445 -9.377 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.296 -19.436 -8.417 1.00 53.44 C ATOM 1235 OH TYR A 80 9.645 -20.719 -8.767 1.00 12.11 O ATOM 0 H TYR A 80 7.184 -13.412 -6.341 1.00 65.34 H new ATOM 0 HA TYR A 80 6.391 -15.116 -8.434 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.717 -14.729 -7.989 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.560 -15.227 -6.316 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.356 -17.632 -5.739 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.917 -16.382 -9.773 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.979 -19.924 -6.361 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.536 -18.675 -10.400 1.00 4.04 H new ATOM 0 HH TYR A 80 10.413 -20.695 -9.376 1.00 12.11 H new ATOM 1245 N ILE A 81 5.840 -16.231 -5.391 1.00 75.45 N ATOM 1246 CA ILE A 81 5.141 -17.253 -4.623 1.00 44.21 C ATOM 1247 C ILE A 81 3.629 -17.121 -4.780 1.00 45.44 C ATOM 1248 O ILE A 81 2.910 -18.119 -4.822 1.00 63.42 O ATOM 1249 CB ILE A 81 5.498 -17.178 -3.127 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.008 -17.339 -2.933 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.742 -18.244 -2.347 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.465 -17.080 -1.514 1.00 20.45 C ATOM 0 H ILE A 81 6.231 -15.475 -4.829 1.00 75.45 H new ATOM 0 HA ILE A 81 5.463 -18.217 -5.017 1.00 44.21 H new ATOM 0 HB ILE A 81 5.203 -16.200 -2.747 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.298 -18.350 -3.221 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.528 -16.655 -3.604 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.005 -18.178 -1.291 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.670 -18.088 -2.464 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.009 -19.230 -2.726 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.545 -17.212 -1.450 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.207 -16.060 -1.229 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.973 -17.781 -0.840 1.00 20.45 H new ATOM 1264 N ALA A 82 3.155 -15.883 -4.866 1.00 24.44 N ATOM 1265 CA ALA A 82 1.730 -15.620 -5.023 1.00 74.32 C ATOM 1266 C ALA A 82 1.231 -16.090 -6.385 1.00 1.20 C ATOM 1267 O ALA A 82 0.218 -16.782 -6.480 1.00 72.43 O ATOM 1268 CB ALA A 82 1.443 -14.138 -4.836 1.00 50.42 C ATOM 0 H ALA A 82 3.737 -15.046 -4.830 1.00 24.44 H new ATOM 0 HA ALA A 82 1.196 -16.182 -4.257 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.375 -13.956 -4.956 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.753 -13.830 -3.837 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.995 -13.564 -5.580 1.00 50.42 H new ATOM 1274 N SER A 83 1.948 -15.708 -7.437 1.00 34.12 N ATOM 1275 CA SER A 83 1.575 -16.087 -8.795 1.00 43.14 C ATOM 1276 C SER A 83 1.425 -17.601 -8.914 1.00 54.13 C ATOM 1277 O SER A 83 0.683 -18.098 -9.762 1.00 22.31 O ATOM 1278 CB SER A 83 2.622 -15.587 -9.792 1.00 1.43 C ATOM 1279 OG SER A 83 2.237 -15.877 -11.125 1.00 10.43 O ATOM 0 H SER A 83 2.790 -15.136 -7.375 1.00 34.12 H new ATOM 0 HA SER A 83 0.615 -15.625 -9.025 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.756 -14.512 -9.675 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.584 -16.053 -9.578 1.00 1.43 H new ATOM 0 HG SER A 83 2.922 -15.546 -11.743 1.00 10.43 H new ATOM 1285 N LYS A 84 2.134 -18.329 -8.059 1.00 42.25 N ATOM 1286 CA LYS A 84 2.080 -19.786 -8.065 1.00 0.24 C ATOM 1287 C LYS A 84 0.881 -20.290 -7.267 1.00 65.15 C ATOM 1288 O LYS A 84 0.334 -21.354 -7.556 1.00 0.04 O ATOM 1289 CB LYS A 84 3.372 -20.368 -7.486 1.00 70.24 C ATOM 1290 CG LYS A 84 4.623 -19.925 -8.224 1.00 52.41 C ATOM 1291 CD LYS A 84 4.919 -20.828 -9.411 1.00 32.14 C ATOM 1292 CE LYS A 84 6.347 -20.650 -9.904 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.857 -21.878 -10.576 1.00 51.04 N ATOM 0 H LYS A 84 2.754 -17.933 -7.352 1.00 42.25 H new ATOM 0 HA LYS A 84 1.971 -20.116 -9.098 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.455 -20.076 -6.439 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.313 -21.456 -7.509 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.499 -18.898 -8.569 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.472 -19.931 -7.540 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.758 -21.868 -9.127 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.223 -20.607 -10.220 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.390 -19.811 -10.599 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.994 -20.401 -9.063 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.833 -21.718 -10.898 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.840 -22.673 -9.906 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.255 -22.102 -11.394 1.00 51.04 H new