USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 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 32 SER OG : rot 180:sc= 0.549 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 35 THR OG1 : rot -120:sc= -0.609 USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= -0.317 F(o=-3.5,f=-2.2) USER MOD Set 2.2: A 27 GLN :FLIP amide:sc= -1.86! C(o=-4.9!,f=-2.2!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 54 SER OG : rot -54:sc= 0.936 USER MOD Single : A 6 SER OG : rot 180:sc= -0.31 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.304 K(o=-0.3,f=-5.9!) USER MOD Single : A 14 MET CE :methyl -176:sc= -2.27! (180deg=-2.32!) USER MOD Single : A 20 CYS SG : rot -62:sc= -0.358 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0716 (180deg=-0.471) 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) USER MOD Single : A 36 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.3!) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.0651 (180deg=-0.338) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 160:sc= -0.0191 (180deg=-0.265) USER MOD Single : A 60 SER OG : rot -55:sc=0.000905 USER MOD Single : A 64 SER OG : rot 86:sc= 0.985 USER MOD Single : A 69 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 78 CYS SG : rot -30:sc= -0.302 USER MOD Single : A 80 TYR OH : rot -126:sc= 0.23 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -104:sc= 0.402 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.380 -11.606 -2.719 1.00 10.42 N ATOM 67 CA SER A 6 -1.015 -12.593 -1.854 1.00 13.32 C ATOM 68 C SER A 6 -0.770 -12.264 -0.385 1.00 1.55 C ATOM 69 O SER A 6 0.208 -12.716 0.209 1.00 70.20 O ATOM 70 CB SER A 6 -0.487 -13.994 -2.169 1.00 31.11 C ATOM 71 OG SER A 6 -1.207 -14.582 -3.238 1.00 12.30 O ATOM 0 HA SER A 6 -2.089 -12.567 -2.041 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.571 -13.938 -2.426 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.567 -14.624 -1.283 1.00 31.11 H new ATOM 0 HG SER A 6 -0.849 -15.476 -3.421 1.00 12.30 H new ATOM 77 N GLU A 7 -1.667 -11.473 0.196 1.00 25.12 N ATOM 78 CA GLU A 7 -1.548 -11.082 1.595 1.00 23.40 C ATOM 79 C GLU A 7 -1.373 -12.306 2.489 1.00 11.43 C ATOM 80 O GLU A 7 -0.743 -12.232 3.543 1.00 4.20 O ATOM 81 CB GLU A 7 -2.781 -10.289 2.033 1.00 61.41 C ATOM 82 CG GLU A 7 -2.537 -9.402 3.243 1.00 52.15 C ATOM 83 CD GLU A 7 -3.721 -8.509 3.560 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.763 -9.039 4.001 1.00 63.30 O ATOM 85 OE2 GLU A 7 -3.606 -7.281 3.367 1.00 13.40 O ATOM 0 H GLU A 7 -2.484 -11.091 -0.281 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.665 -10.451 1.695 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.119 -9.670 1.202 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.588 -10.985 2.260 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -2.316 -10.027 4.108 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.658 -8.783 3.064 1.00 52.15 H new ATOM 92 N GLU A 8 -1.937 -13.430 2.060 1.00 62.33 N ATOM 93 CA GLU A 8 -1.844 -14.670 2.822 1.00 22.01 C ATOM 94 C GLU A 8 -0.398 -15.148 2.911 1.00 45.53 C ATOM 95 O GLU A 8 0.115 -15.409 3.999 1.00 0.33 O ATOM 96 CB GLU A 8 -2.712 -15.755 2.181 1.00 5.22 C ATOM 97 CG GLU A 8 -2.758 -17.048 2.978 1.00 4.01 C ATOM 98 CD GLU A 8 -3.827 -18.002 2.481 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.010 -17.603 2.446 1.00 20.33 O ATOM 100 OE2 GLU A 8 -3.479 -19.148 2.127 1.00 10.50 O ATOM 0 H GLU A 8 -2.463 -13.508 1.189 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.206 -14.473 3.831 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.727 -15.374 2.063 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.333 -15.968 1.181 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -1.786 -17.538 2.925 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.942 -16.817 4.027 1.00 4.01 H new ATOM 107 N ILE A 9 0.253 -15.260 1.758 1.00 60.43 N ATOM 108 CA ILE A 9 1.641 -15.705 1.706 1.00 52.14 C ATOM 109 C ILE A 9 2.585 -14.623 2.219 1.00 13.42 C ATOM 110 O ILE A 9 3.618 -14.919 2.821 1.00 51.22 O ATOM 111 CB ILE A 9 2.053 -16.093 0.274 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.973 -16.962 -0.375 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.389 -16.821 0.286 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.340 -17.452 -1.757 1.00 72.45 C ATOM 0 H ILE A 9 -0.157 -15.049 0.848 1.00 60.43 H new ATOM 0 HA ILE A 9 1.716 -16.583 2.348 1.00 52.14 H new ATOM 0 HB ILE A 9 2.162 -15.182 -0.315 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.776 -17.822 0.266 1.00 51.12 H new ATOM 0 HG13 ILE A 9 0.047 -16.391 -0.435 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.667 -17.089 -0.733 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.154 -16.171 0.712 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.305 -17.725 0.889 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.528 -18.061 -2.155 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.508 -16.598 -2.413 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.249 -18.051 -1.701 1.00 72.45 H new ATOM 126 N LYS A 10 2.224 -13.368 1.979 1.00 24.45 N ATOM 127 CA LYS A 10 3.037 -12.240 2.419 1.00 53.51 C ATOM 128 C LYS A 10 3.370 -12.357 3.904 1.00 24.33 C ATOM 129 O LYS A 10 4.493 -12.073 4.321 1.00 33.51 O ATOM 130 CB LYS A 10 2.305 -10.922 2.152 1.00 74.03 C ATOM 131 CG LYS A 10 3.234 -9.734 1.983 1.00 54.41 C ATOM 132 CD LYS A 10 3.687 -9.184 3.325 1.00 65.13 C ATOM 133 CE LYS A 10 4.292 -7.795 3.184 1.00 45.24 C ATOM 134 NZ LYS A 10 4.524 -7.155 4.508 1.00 3.11 N ATOM 0 H LYS A 10 1.373 -13.105 1.482 1.00 24.45 H new ATOM 0 HA LYS A 10 3.968 -12.252 1.853 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.698 -11.029 1.253 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.621 -10.723 2.977 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.104 -10.032 1.399 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.726 -8.951 1.421 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.839 -9.145 4.008 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.421 -9.858 3.767 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.236 -7.863 2.643 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.628 -7.168 2.589 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.937 -6.211 4.369 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 3.620 -7.067 5.014 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.178 -7.740 5.067 1.00 3.11 H new ATOM 148 N ALA A 11 2.389 -12.776 4.695 1.00 50.21 N ATOM 149 CA ALA A 11 2.581 -12.933 6.131 1.00 34.33 C ATOM 150 C ALA A 11 3.511 -14.103 6.436 1.00 4.45 C ATOM 151 O ALA A 11 4.242 -14.083 7.426 1.00 53.20 O ATOM 152 CB ALA A 11 1.240 -13.129 6.824 1.00 43.42 C ATOM 0 H ALA A 11 1.453 -13.013 4.366 1.00 50.21 H new ATOM 0 HA ALA A 11 3.046 -12.024 6.512 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.398 -13.245 7.896 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.606 -12.261 6.642 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.754 -14.022 6.430 1.00 43.42 H new ATOM 158 N GLN A 12 3.478 -15.119 5.580 1.00 24.33 N ATOM 159 CA GLN A 12 4.318 -16.297 5.760 1.00 2.14 C ATOM 160 C GLN A 12 5.765 -15.995 5.387 1.00 42.14 C ATOM 161 O GLN A 12 6.691 -16.338 6.122 1.00 75.20 O ATOM 162 CB GLN A 12 3.792 -17.458 4.915 1.00 54.01 C ATOM 163 CG GLN A 12 2.626 -18.196 5.553 1.00 32.44 C ATOM 164 CD GLN A 12 3.056 -19.465 6.263 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.905 -20.567 5.736 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.597 -19.314 7.466 1.00 62.23 N ATOM 0 H GLN A 12 2.879 -15.150 4.755 1.00 24.33 H new ATOM 0 HA GLN A 12 4.285 -16.579 6.812 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.481 -17.077 3.942 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.604 -18.163 4.736 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.129 -17.537 6.265 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.894 -18.444 4.784 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.703 -18.381 7.864 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.907 -20.131 7.992 1.00 62.23 H new ATOM 175 N VAL A 13 5.954 -15.351 4.240 1.00 55.30 N ATOM 176 CA VAL A 13 7.289 -15.003 3.769 1.00 61.15 C ATOM 177 C VAL A 13 7.966 -14.018 4.717 1.00 35.34 C ATOM 178 O VAL A 13 9.145 -14.162 5.039 1.00 43.12 O ATOM 179 CB VAL A 13 7.244 -14.390 2.357 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.815 -15.433 1.336 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.313 -13.187 2.327 1.00 71.30 C ATOM 0 H VAL A 13 5.199 -15.060 3.619 1.00 55.30 H new ATOM 0 HA VAL A 13 7.865 -15.928 3.737 1.00 61.15 H new ATOM 0 HB VAL A 13 8.246 -14.050 2.095 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.789 -14.982 0.344 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.525 -16.260 1.340 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.823 -15.806 1.591 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.294 -12.767 1.321 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.307 -13.498 2.610 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.670 -12.433 3.029 1.00 71.30 H new ATOM 191 N MET A 14 7.211 -13.018 5.160 1.00 13.51 N ATOM 192 CA MET A 14 7.738 -12.010 6.073 1.00 42.15 C ATOM 193 C MET A 14 7.996 -12.608 7.452 1.00 13.12 C ATOM 194 O MET A 14 8.972 -12.260 8.116 1.00 73.12 O ATOM 195 CB MET A 14 6.765 -10.836 6.187 1.00 42.43 C ATOM 196 CG MET A 14 5.458 -11.193 6.875 1.00 3.14 C ATOM 197 SD MET A 14 5.482 -10.829 8.640 1.00 42.00 S ATOM 198 CE MET A 14 3.940 -11.577 9.161 1.00 52.44 C ATOM 0 H MET A 14 6.233 -12.884 4.902 1.00 13.51 H new ATOM 0 HA MET A 14 8.684 -11.650 5.670 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.247 -10.028 6.738 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.548 -10.456 5.188 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.642 -10.643 6.405 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.253 -12.254 6.729 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.776 -11.374 10.219 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.118 -11.159 8.580 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.986 -12.654 9.001 1.00 52.44 H new ATOM 208 N GLU A 15 7.114 -13.507 7.878 1.00 31.13 N ATOM 209 CA GLU A 15 7.247 -14.150 9.179 1.00 3.51 C ATOM 210 C GLU A 15 8.463 -15.071 9.209 1.00 40.41 C ATOM 211 O GLU A 15 9.139 -15.191 10.231 1.00 50.11 O ATOM 212 CB GLU A 15 5.983 -14.946 9.510 1.00 51.42 C ATOM 213 CG GLU A 15 6.107 -15.790 10.768 1.00 64.33 C ATOM 214 CD GLU A 15 4.769 -16.313 11.254 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.070 -16.980 10.462 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.421 -16.056 12.425 1.00 72.54 O ATOM 0 H GLU A 15 6.300 -13.806 7.341 1.00 31.13 H new ATOM 0 HA GLU A 15 7.384 -13.371 9.929 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.149 -14.254 9.627 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.742 -15.596 8.669 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.772 -16.631 10.573 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.568 -15.195 11.556 1.00 64.33 H new ATOM 223 N SER A 16 8.736 -15.719 8.081 1.00 34.34 N ATOM 224 CA SER A 16 9.868 -16.632 7.978 1.00 4.21 C ATOM 225 C SER A 16 11.182 -15.862 7.893 1.00 25.30 C ATOM 226 O SER A 16 12.182 -16.248 8.497 1.00 71.45 O ATOM 227 CB SER A 16 9.713 -17.535 6.753 1.00 21.44 C ATOM 228 OG SER A 16 10.406 -18.759 6.930 1.00 73.30 O ATOM 0 H SER A 16 8.188 -15.628 7.225 1.00 34.34 H new ATOM 0 HA SER A 16 9.887 -17.250 8.876 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.656 -17.734 6.576 1.00 21.44 H new ATOM 0 HB3 SER A 16 10.093 -17.023 5.869 1.00 21.44 H new ATOM 0 HG SER A 16 10.290 -19.319 6.134 1.00 73.30 H new ATOM 234 N VAL A 17 11.171 -14.768 7.138 1.00 40.23 N ATOM 235 CA VAL A 17 12.360 -13.940 6.972 1.00 71.33 C ATOM 236 C VAL A 17 12.789 -13.323 8.299 1.00 73.43 C ATOM 237 O VAL A 17 13.944 -13.448 8.709 1.00 75.50 O ATOM 238 CB VAL A 17 12.123 -12.815 5.948 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.305 -11.858 5.924 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.868 -13.397 4.566 1.00 64.43 C ATOM 0 H VAL A 17 10.351 -14.434 6.631 1.00 40.23 H new ATOM 0 HA VAL A 17 13.152 -14.593 6.605 1.00 71.33 H new ATOM 0 HB VAL A 17 11.238 -12.254 6.248 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.120 -11.069 5.195 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.435 -11.416 6.912 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.208 -12.402 5.649 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.703 -12.587 3.855 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.732 -13.984 4.253 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.987 -14.038 4.598 1.00 64.43 H new ATOM 250 N ILE A 18 11.852 -12.658 8.966 1.00 20.20 N ATOM 251 CA ILE A 18 12.133 -12.024 10.248 1.00 4.21 C ATOM 252 C ILE A 18 12.857 -12.981 11.188 1.00 21.34 C ATOM 253 O ILE A 18 13.912 -12.656 11.730 1.00 62.42 O ATOM 254 CB ILE A 18 10.841 -11.533 10.928 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.166 -10.458 10.075 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.145 -11.000 12.320 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.670 -10.372 10.283 1.00 14.31 C ATOM 0 H ILE A 18 10.892 -12.544 8.640 1.00 20.20 H new ATOM 0 HA ILE A 18 12.774 -11.167 10.042 1.00 4.21 H new ATOM 0 HB ILE A 18 10.156 -12.375 11.025 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.613 -9.490 10.304 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.367 -10.661 9.023 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.222 -10.657 12.788 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.585 -11.793 12.925 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.845 -10.168 12.246 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.259 -9.589 9.646 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.211 -11.327 10.026 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.461 -10.138 11.327 1.00 14.31 H new ATOM 269 N GLY A 19 12.282 -14.165 11.377 1.00 20.44 N ATOM 270 CA GLY A 19 12.888 -15.153 12.251 1.00 33.42 C ATOM 271 C GLY A 19 14.106 -15.807 11.630 1.00 43.03 C ATOM 272 O GLY A 19 14.970 -16.325 12.340 1.00 24.14 O ATOM 0 H GLY A 19 11.408 -14.458 10.941 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.174 -14.677 13.189 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.152 -15.919 12.493 1.00 33.42 H new ATOM 276 N CYS A 20 14.176 -15.785 10.304 1.00 11.52 N ATOM 277 CA CYS A 20 15.297 -16.384 9.588 1.00 1.22 C ATOM 278 C CYS A 20 16.604 -15.678 9.937 1.00 65.11 C ATOM 279 O CYS A 20 17.592 -16.322 10.291 1.00 25.20 O ATOM 280 CB CYS A 20 15.056 -16.320 8.079 1.00 12.21 C ATOM 281 SG CYS A 20 14.540 -17.891 7.346 1.00 23.42 S ATOM 0 H CYS A 20 13.470 -15.359 9.703 1.00 11.52 H new ATOM 0 HA CYS A 20 15.376 -17.428 9.893 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.293 -15.568 7.875 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.971 -15.986 7.590 1.00 12.21 H new ATOM 0 HG CYS A 20 15.483 -18.773 7.501 1.00 23.42 H new ATOM 287 N LEU A 21 16.602 -14.355 9.832 1.00 53.41 N ATOM 288 CA LEU A 21 17.788 -13.562 10.136 1.00 51.22 C ATOM 289 C LEU A 21 17.637 -12.845 11.473 1.00 15.30 C ATOM 290 O LEU A 21 18.489 -12.044 11.861 1.00 53.22 O ATOM 291 CB LEU A 21 18.043 -12.542 9.024 1.00 25.12 C ATOM 292 CG LEU A 21 16.826 -12.145 8.187 1.00 53.32 C ATOM 293 CD1 LEU A 21 17.002 -10.744 7.622 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.599 -13.149 7.065 1.00 52.43 C ATOM 0 H LEU A 21 15.793 -13.808 9.539 1.00 53.41 H new ATOM 0 HA LEU A 21 18.639 -14.239 10.202 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.460 -11.641 9.473 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.803 -12.946 8.355 1.00 25.12 H new ATOM 0 HG LEU A 21 15.948 -12.148 8.833 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.127 -10.478 7.029 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.116 -10.033 8.441 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.890 -10.715 6.991 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.729 -12.850 6.480 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.477 -13.179 6.420 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.428 -14.138 7.491 1.00 52.43 H new ATOM 306 N LYS A 22 16.548 -13.138 12.176 1.00 1.40 N ATOM 307 CA LYS A 22 16.285 -12.526 13.472 1.00 75.54 C ATOM 308 C LYS A 22 16.409 -11.007 13.392 1.00 52.33 C ATOM 309 O LYS A 22 17.487 -10.449 13.603 1.00 32.45 O ATOM 310 CB LYS A 22 17.255 -13.071 14.524 1.00 53.14 C ATOM 311 CG LYS A 22 17.345 -14.587 14.540 1.00 11.31 C ATOM 312 CD LYS A 22 16.028 -15.220 14.956 1.00 24.50 C ATOM 313 CE LYS A 22 15.930 -15.358 16.468 1.00 14.00 C ATOM 314 NZ LYS A 22 16.919 -16.336 17.000 1.00 54.14 N ATOM 0 H LYS A 22 15.833 -13.797 11.869 1.00 1.40 H new ATOM 0 HA LYS A 22 15.265 -12.776 13.762 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.247 -12.658 14.340 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.943 -12.723 15.509 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.625 -14.946 13.550 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.132 -14.898 15.227 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.200 -14.613 14.590 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.933 -16.202 14.493 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.094 -14.386 16.933 1.00 14.00 H new ATOM 0 HE3 LYS A 22 14.923 -15.675 16.739 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.583 -16.709 17.911 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 17.031 -17.119 16.325 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 17.835 -15.864 17.137 1.00 54.14 H new ATOM 328 N LEU A 23 15.300 -10.344 13.087 1.00 63.12 N ATOM 329 CA LEU A 23 15.283 -8.889 12.980 1.00 10.22 C ATOM 330 C LEU A 23 14.852 -8.252 14.296 1.00 71.20 C ATOM 331 O LEU A 23 14.247 -8.905 15.146 1.00 42.11 O ATOM 332 CB LEU A 23 14.342 -8.452 11.856 1.00 24.31 C ATOM 333 CG LEU A 23 14.891 -8.576 10.434 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.192 -7.801 10.295 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.097 -10.040 10.069 1.00 71.34 C ATOM 0 H LEU A 23 14.400 -10.790 12.909 1.00 63.12 H new ATOM 0 HA LEU A 23 16.294 -8.554 12.750 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.428 -9.043 11.924 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.063 -7.412 12.027 1.00 24.31 H new ATOM 0 HG LEU A 23 14.163 -8.149 9.744 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.568 -7.901 9.277 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.014 -6.748 10.515 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.928 -8.198 10.994 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.488 -10.110 9.054 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.806 -10.492 10.763 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.145 -10.567 10.128 1.00 71.34 H new ATOM 347 N ASN A 24 15.165 -6.970 14.458 1.00 45.20 N ATOM 348 CA ASN A 24 14.809 -6.242 15.671 1.00 65.04 C ATOM 349 C ASN A 24 13.669 -5.264 15.403 1.00 22.23 C ATOM 350 O ASN A 24 13.152 -5.188 14.289 1.00 61.52 O ATOM 351 CB ASN A 24 16.024 -5.491 16.216 1.00 25.14 C ATOM 352 CG ASN A 24 16.842 -4.841 15.116 1.00 24.34 C ATOM 353 OD1 ASN A 24 16.770 -3.518 15.028 1.00 75.32 O flip ATOM 354 ND2 ASN A 24 17.531 -5.521 14.355 1.00 12.31 N flip ATOM 0 H ASN A 24 15.665 -6.414 13.764 1.00 45.20 H new ATOM 0 HA ASN A 24 14.476 -6.966 16.415 1.00 65.04 H new ATOM 0 HB2 ASN A 24 15.691 -4.726 16.918 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.655 -6.183 16.774 1.00 25.14 H new ATOM 0 HD21 ASN A 24 17.556 -6.535 14.459 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.076 -5.070 13.620 1.00 12.31 H new ATOM 361 N ASP A 25 13.285 -4.516 16.432 1.00 44.23 N ATOM 362 CA ASP A 25 12.208 -3.540 16.308 1.00 34.40 C ATOM 363 C ASP A 25 12.524 -2.518 15.220 1.00 23.34 C ATOM 364 O ASP A 25 11.653 -2.150 14.432 1.00 45.40 O ATOM 365 CB ASP A 25 11.980 -2.829 17.642 1.00 1.51 C ATOM 366 CG ASP A 25 11.998 -3.785 18.819 1.00 64.32 C ATOM 367 OD1 ASP A 25 10.946 -4.392 19.107 1.00 24.33 O ATOM 368 OD2 ASP A 25 13.066 -3.926 19.451 1.00 20.14 O ATOM 0 H ASP A 25 13.703 -4.567 17.361 1.00 44.23 H new ATOM 0 HA ASP A 25 11.299 -4.072 16.029 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.750 -2.070 17.782 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.022 -2.310 17.614 1.00 1.51 H new ATOM 373 N GLU A 26 13.773 -2.066 15.184 1.00 23.44 N ATOM 374 CA GLU A 26 14.201 -1.085 14.193 1.00 51.55 C ATOM 375 C GLU A 26 14.107 -1.660 12.783 1.00 41.22 C ATOM 376 O GLU A 26 13.472 -1.075 11.906 1.00 64.53 O ATOM 377 CB GLU A 26 15.635 -0.635 14.476 1.00 23.33 C ATOM 378 CG GLU A 26 15.903 0.814 14.105 1.00 11.13 C ATOM 379 CD GLU A 26 17.362 1.075 13.785 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.142 1.322 14.728 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.723 1.032 12.590 1.00 10.11 O ATOM 0 H GLU A 26 14.506 -2.363 15.828 1.00 23.44 H new ATOM 0 HA GLU A 26 13.537 -0.224 14.261 1.00 51.55 H new ATOM 0 HB2 GLU A 26 15.848 -0.775 15.536 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.323 -1.276 13.925 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.292 1.083 13.243 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.595 1.459 14.928 1.00 11.13 H new ATOM 388 N GLN A 27 14.742 -2.809 12.574 1.00 43.14 N ATOM 389 CA GLN A 27 14.731 -3.461 11.270 1.00 70.43 C ATOM 390 C GLN A 27 13.302 -3.725 10.806 1.00 74.33 C ATOM 391 O GLN A 27 12.989 -3.602 9.622 1.00 70.11 O ATOM 392 CB GLN A 27 15.511 -4.775 11.327 1.00 60.33 C ATOM 393 CG GLN A 27 16.981 -4.626 10.969 1.00 35.01 C ATOM 394 CD GLN A 27 17.608 -3.387 11.580 1.00 64.11 C ATOM 395 OE1 GLN A 27 18.411 -3.581 12.619 1.00 33.13 O flip ATOM 396 NE2 GLN A 27 17.371 -2.269 11.123 1.00 31.11 N flip ATOM 0 H GLN A 27 15.270 -3.307 13.291 1.00 43.14 H new ATOM 0 HA GLN A 27 15.209 -2.793 10.554 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.431 -5.192 12.331 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.051 -5.491 10.646 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.525 -5.508 11.307 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.085 -4.584 9.885 1.00 35.01 H new ATOM 0 HE21 GLN A 27 16.747 -2.167 10.323 1.00 31.11 H new ATOM 0 HE22 GLN A 27 17.799 -1.445 11.545 1.00 31.11 H new ATOM 405 N LYS A 28 12.437 -4.090 11.747 1.00 33.40 N ATOM 406 CA LYS A 28 11.041 -4.370 11.437 1.00 0.31 C ATOM 407 C LYS A 28 10.270 -3.080 11.179 1.00 73.13 C ATOM 408 O LYS A 28 9.244 -3.084 10.500 1.00 33.23 O ATOM 409 CB LYS A 28 10.387 -5.147 12.582 1.00 10.45 C ATOM 410 CG LYS A 28 10.933 -6.554 12.751 1.00 2.22 C ATOM 411 CD LYS A 28 10.704 -7.076 14.159 1.00 53.25 C ATOM 412 CE LYS A 28 9.236 -7.383 14.409 1.00 14.30 C ATOM 413 NZ LYS A 28 9.056 -8.444 15.437 1.00 1.02 N ATOM 0 H LYS A 28 12.680 -4.199 12.732 1.00 33.40 H new ATOM 0 HA LYS A 28 11.012 -4.977 10.532 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.530 -4.597 13.512 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.313 -5.202 12.406 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.454 -7.220 12.033 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.000 -6.560 12.529 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.297 -7.977 14.315 1.00 53.25 H new ATOM 0 HD3 LYS A 28 11.051 -6.338 14.882 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.726 -6.475 14.731 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.768 -7.698 13.477 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 8.041 -8.623 15.577 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.521 -9.318 15.119 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 9.480 -8.133 16.334 1.00 1.02 H new ATOM 427 N GLN A 29 10.773 -1.977 11.726 1.00 54.00 N ATOM 428 CA GLN A 29 10.131 -0.679 11.555 1.00 31.22 C ATOM 429 C GLN A 29 10.636 0.016 10.295 1.00 50.15 C ATOM 430 O GLN A 29 9.973 0.903 9.757 1.00 72.44 O ATOM 431 CB GLN A 29 10.387 0.205 12.777 1.00 30.00 C ATOM 432 CG GLN A 29 9.367 0.018 13.888 1.00 61.43 C ATOM 433 CD GLN A 29 9.230 1.244 14.769 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.683 2.265 14.349 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.728 1.151 15.996 1.00 52.22 N ATOM 0 H GLN A 29 11.622 -1.957 12.291 1.00 54.00 H new ATOM 0 HA GLN A 29 9.058 -0.843 11.452 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.381 -0.010 13.168 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.386 1.250 12.466 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.398 -0.219 13.450 1.00 61.43 H new ATOM 0 HG3 GLN A 29 9.657 -0.835 14.502 1.00 61.43 H new ATOM 0 HE21 GLN A 29 10.173 0.285 16.302 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.666 1.945 16.633 1.00 52.22 H new ATOM 444 N ILE A 30 11.812 -0.394 9.830 1.00 2.02 N ATOM 445 CA ILE A 30 12.404 0.190 8.632 1.00 13.22 C ATOM 446 C ILE A 30 12.358 -0.789 7.464 1.00 11.13 C ATOM 447 O ILE A 30 13.139 -0.679 6.518 1.00 22.43 O ATOM 448 CB ILE A 30 13.864 0.613 8.877 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.719 -0.604 9.235 1.00 24.21 C ATOM 450 CG2 ILE A 30 13.935 1.660 9.979 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.537 -1.130 8.077 1.00 63.02 C ATOM 0 H ILE A 30 12.373 -1.127 10.264 1.00 2.02 H new ATOM 0 HA ILE A 30 11.815 1.073 8.385 1.00 13.22 H new ATOM 0 HB ILE A 30 14.257 1.052 7.960 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.390 -0.339 10.052 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.069 -1.399 9.601 1.00 24.21 H new ATOM 0 HG21 ILE A 30 14.974 1.949 10.140 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.356 2.536 9.686 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.526 1.246 10.901 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.118 -1.992 8.404 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.871 -1.427 7.267 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.212 -0.350 7.725 1.00 63.02 H new ATOM 463 N LEU A 31 11.440 -1.745 7.536 1.00 64.14 N ATOM 464 CA LEU A 31 11.290 -2.744 6.484 1.00 21.12 C ATOM 465 C LEU A 31 10.194 -2.341 5.501 1.00 14.43 C ATOM 466 O LEU A 31 9.321 -1.536 5.827 1.00 1.54 O ATOM 467 CB LEU A 31 10.969 -4.110 7.092 1.00 41.11 C ATOM 468 CG LEU A 31 11.664 -5.312 6.448 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.975 -6.371 7.494 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.803 -5.893 5.336 1.00 12.21 C ATOM 0 H LEU A 31 10.787 -1.850 8.313 1.00 64.14 H new ATOM 0 HA LEU A 31 12.233 -2.808 5.941 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.234 -4.086 8.149 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.892 -4.266 7.037 1.00 41.11 H new ATOM 0 HG LEU A 31 12.604 -4.974 6.012 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.469 -7.218 7.018 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.631 -5.949 8.255 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.048 -6.706 7.959 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.313 -6.747 4.889 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.847 -6.216 5.747 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.632 -5.133 4.574 1.00 12.21 H new ATOM 482 N SER A 32 10.246 -2.907 4.300 1.00 11.55 N ATOM 483 CA SER A 32 9.259 -2.605 3.270 1.00 52.24 C ATOM 484 C SER A 32 9.250 -3.685 2.193 1.00 35.45 C ATOM 485 O SER A 32 10.214 -4.436 2.043 1.00 30.51 O ATOM 486 CB SER A 32 9.549 -1.242 2.639 1.00 52.12 C ATOM 487 OG SER A 32 9.270 -1.253 1.250 1.00 54.11 O ATOM 0 H SER A 32 10.961 -3.577 4.016 1.00 11.55 H new ATOM 0 HA SER A 32 8.276 -2.577 3.741 1.00 52.24 H new ATOM 0 HB2 SER A 32 8.947 -0.476 3.128 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.594 -0.978 2.801 1.00 52.12 H new ATOM 0 HG SER A 32 9.462 -0.370 0.871 1.00 54.11 H new ATOM 493 N GLY A 33 8.154 -3.757 1.444 1.00 1.31 N ATOM 494 CA GLY A 33 8.040 -4.748 0.390 1.00 55.30 C ATOM 495 C GLY A 33 9.009 -4.498 -0.748 1.00 2.44 C ATOM 496 O GLY A 33 9.302 -5.400 -1.534 1.00 22.34 O ATOM 0 H GLY A 33 7.343 -3.147 1.548 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.221 -5.739 0.806 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.021 -4.746 0.003 1.00 55.30 H new ATOM 500 N THR A 34 9.508 -3.269 -0.840 1.00 51.35 N ATOM 501 CA THR A 34 10.449 -2.903 -1.891 1.00 3.10 C ATOM 502 C THR A 34 11.853 -2.710 -1.331 1.00 64.01 C ATOM 503 O THR A 34 12.578 -1.805 -1.744 1.00 73.14 O ATOM 504 CB THR A 34 10.013 -1.611 -2.610 1.00 42.35 C ATOM 505 OG1 THR A 34 10.050 -0.508 -1.697 1.00 2.24 O ATOM 506 CG2 THR A 34 8.610 -1.757 -3.180 1.00 32.33 C ATOM 0 H THR A 34 9.276 -2.510 -0.199 1.00 51.35 H new ATOM 0 HA THR A 34 10.457 -3.725 -2.607 1.00 3.10 H new ATOM 0 HB THR A 34 10.705 -1.426 -3.432 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.773 0.310 -2.161 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.324 -0.833 -3.683 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.591 -2.580 -3.895 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.908 -1.963 -2.372 1.00 32.33 H new ATOM 514 N THR A 35 12.232 -3.569 -0.390 1.00 44.01 N ATOM 515 CA THR A 35 13.550 -3.493 0.227 1.00 42.43 C ATOM 516 C THR A 35 14.270 -4.835 0.153 1.00 0.31 C ATOM 517 O THR A 35 13.887 -5.793 0.823 1.00 42.14 O ATOM 518 CB THR A 35 13.456 -3.053 1.701 1.00 23.32 C ATOM 519 OG1 THR A 35 12.354 -2.157 1.876 1.00 14.23 O ATOM 520 CG2 THR A 35 14.743 -2.377 2.147 1.00 52.31 C ATOM 0 H THR A 35 11.645 -4.325 -0.039 1.00 44.01 H new ATOM 0 HA THR A 35 14.118 -2.748 -0.331 1.00 42.43 H new ATOM 0 HB THR A 35 13.301 -3.941 2.313 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.682 -1.297 2.213 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.653 -2.075 3.191 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.575 -3.073 2.041 1.00 52.31 H new ATOM 0 HG23 THR A 35 14.925 -1.497 1.529 1.00 52.31 H new ATOM 528 N ASN A 36 15.316 -4.895 -0.664 1.00 22.34 N ATOM 529 CA ASN A 36 16.090 -6.121 -0.825 1.00 3.42 C ATOM 530 C ASN A 36 16.639 -6.598 0.516 1.00 24.22 C ATOM 531 O ASN A 36 17.582 -6.018 1.055 1.00 54.35 O ATOM 532 CB ASN A 36 17.240 -5.897 -1.809 1.00 23.01 C ATOM 533 CG ASN A 36 17.662 -7.176 -2.506 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.327 -8.275 -2.065 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.403 -7.037 -3.598 1.00 21.54 N ATOM 0 H ASN A 36 15.647 -4.110 -1.225 1.00 22.34 H new ATOM 0 HA ASN A 36 15.427 -6.891 -1.220 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.938 -5.162 -2.555 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.094 -5.478 -1.277 1.00 23.01 H new ATOM 0 HD21 ASN A 36 18.719 -7.862 -4.108 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.657 -6.105 -3.927 1.00 21.54 H new ATOM 542 N LEU A 37 16.042 -7.658 1.050 1.00 42.04 N ATOM 543 CA LEU A 37 16.472 -8.214 2.329 1.00 41.12 C ATOM 544 C LEU A 37 17.868 -8.819 2.218 1.00 34.43 C ATOM 545 O LEU A 37 18.509 -9.113 3.226 1.00 41.43 O ATOM 546 CB LEU A 37 15.480 -9.278 2.803 1.00 32.32 C ATOM 547 CG LEU A 37 13.999 -8.911 2.692 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.247 -9.964 1.894 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.384 -8.748 4.075 1.00 73.30 C ATOM 0 H LEU A 37 15.260 -8.149 0.618 1.00 42.04 H new ATOM 0 HA LEU A 37 16.504 -7.404 3.057 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.652 -10.188 2.229 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.699 -9.512 3.845 1.00 32.32 H new ATOM 0 HG LEU A 37 13.919 -7.960 2.166 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.195 -9.686 1.825 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.670 -10.032 0.892 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.336 -10.930 2.392 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.330 -8.487 3.976 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.476 -9.684 4.627 1.00 73.30 H new ATOM 0 HD23 LEU A 37 13.905 -7.956 4.614 1.00 73.30 H new ATOM 561 N ALA A 38 18.333 -8.998 0.986 1.00 11.43 N ATOM 562 CA ALA A 38 19.655 -9.564 0.745 1.00 64.01 C ATOM 563 C ALA A 38 20.729 -8.481 0.779 1.00 74.52 C ATOM 564 O ALA A 38 21.784 -8.658 1.388 1.00 11.43 O ATOM 565 CB ALA A 38 19.681 -10.293 -0.589 1.00 72.25 C ATOM 0 H ALA A 38 17.815 -8.760 0.140 1.00 11.43 H new ATOM 0 HA ALA A 38 19.869 -10.278 1.541 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.674 -10.711 -0.756 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.946 -11.098 -0.578 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.442 -9.594 -1.390 1.00 72.25 H new ATOM 571 N LYS A 39 20.455 -7.361 0.119 1.00 24.43 N ATOM 572 CA LYS A 39 21.397 -6.249 0.073 1.00 74.40 C ATOM 573 C LYS A 39 21.249 -5.360 1.305 1.00 20.11 C ATOM 574 O LYS A 39 22.225 -5.081 2.002 1.00 33.41 O ATOM 575 CB LYS A 39 21.181 -5.422 -1.196 1.00 32.01 C ATOM 576 CG LYS A 39 22.411 -5.333 -2.081 1.00 13.31 C ATOM 577 CD LYS A 39 22.037 -5.083 -3.532 1.00 0.14 C ATOM 578 CE LYS A 39 22.641 -6.133 -4.452 1.00 0.24 C ATOM 579 NZ LYS A 39 22.153 -7.502 -4.127 1.00 32.20 N ATOM 0 H LYS A 39 19.587 -7.199 -0.392 1.00 24.43 H new ATOM 0 HA LYS A 39 22.406 -6.660 0.062 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.363 -5.858 -1.769 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.872 -4.415 -0.915 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.057 -4.530 -1.727 1.00 13.31 H new ATOM 0 HG3 LYS A 39 22.982 -6.258 -2.006 1.00 13.31 H new ATOM 0 HD2 LYS A 39 20.952 -5.088 -3.635 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.381 -4.093 -3.832 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.393 -5.895 -5.486 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.728 -6.106 -4.370 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 22.221 -8.104 -4.972 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.735 -7.906 -3.366 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 21.162 -7.452 -3.816 1.00 32.20 H new ATOM 593 N ASP A 40 20.023 -4.919 1.566 1.00 63.34 N ATOM 594 CA ASP A 40 19.748 -4.064 2.714 1.00 12.34 C ATOM 595 C ASP A 40 20.333 -4.661 3.990 1.00 41.35 C ATOM 596 O ASP A 40 21.211 -4.069 4.619 1.00 11.14 O ATOM 597 CB ASP A 40 18.240 -3.862 2.876 1.00 60.32 C ATOM 598 CG ASP A 40 17.906 -2.740 3.840 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.930 -1.566 3.416 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.622 -3.036 5.020 1.00 22.23 O ATOM 0 H ASP A 40 19.205 -5.140 0.998 1.00 63.34 H new ATOM 0 HA ASP A 40 20.220 -3.098 2.537 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.799 -3.645 1.903 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.788 -4.788 3.231 1.00 60.32 H new ATOM 605 N PHE A 41 19.841 -5.836 4.367 1.00 51.23 N ATOM 606 CA PHE A 41 20.314 -6.513 5.569 1.00 55.34 C ATOM 607 C PHE A 41 21.648 -7.208 5.312 1.00 13.42 C ATOM 608 O PHE A 41 22.238 -7.794 6.219 1.00 4.32 O ATOM 609 CB PHE A 41 19.278 -7.532 6.048 1.00 32.53 C ATOM 610 CG PHE A 41 17.945 -6.922 6.378 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.870 -5.742 7.100 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.770 -7.530 5.969 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.645 -5.179 7.407 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.542 -6.972 6.272 1.00 63.51 C ATOM 615 CZ PHE A 41 15.480 -5.794 6.992 1.00 32.44 C ATOM 0 H PHE A 41 19.115 -6.340 3.858 1.00 51.23 H new ATOM 0 HA PHE A 41 20.459 -5.762 6.346 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.141 -8.289 5.276 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.663 -8.043 6.930 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.778 -5.257 7.426 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.813 -8.451 5.407 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.599 -4.259 7.971 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.633 -7.456 5.947 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.522 -5.355 7.230 1.00 32.44 H new ATOM 625 N ASN A 42 22.115 -7.139 4.071 1.00 62.01 N ATOM 626 CA ASN A 42 23.378 -7.763 3.693 1.00 43.41 C ATOM 627 C ASN A 42 23.410 -9.228 4.120 1.00 32.20 C ATOM 628 O ASN A 42 24.436 -9.729 4.582 1.00 14.03 O ATOM 629 CB ASN A 42 24.551 -7.011 4.325 1.00 74.50 C ATOM 630 CG ASN A 42 25.053 -5.880 3.448 1.00 43.04 C ATOM 631 OD1 ASN A 42 24.660 -4.725 3.619 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.925 -6.208 2.501 1.00 71.31 N ATOM 0 H ASN A 42 21.638 -6.657 3.309 1.00 62.01 H new ATOM 0 HA ASN A 42 23.467 -7.717 2.608 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.244 -6.609 5.291 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.366 -7.709 4.515 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.297 -5.490 1.879 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.223 -7.178 2.396 1.00 71.31 H new ATOM 639 N LEU A 43 22.281 -9.910 3.960 1.00 0.14 N ATOM 640 CA LEU A 43 22.179 -11.317 4.328 1.00 4.12 C ATOM 641 C LEU A 43 23.312 -12.126 3.705 1.00 55.50 C ATOM 642 O LEU A 43 23.886 -11.728 2.691 1.00 12.51 O ATOM 643 CB LEU A 43 20.829 -11.884 3.885 1.00 2.23 C ATOM 644 CG LEU A 43 19.626 -11.503 4.749 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.340 -12.041 4.140 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.803 -12.023 6.168 1.00 61.35 C ATOM 0 H LEU A 43 21.424 -9.511 3.578 1.00 0.14 H new ATOM 0 HA LEU A 43 22.259 -11.390 5.413 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.637 -11.555 2.864 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.904 -12.971 3.861 1.00 2.23 H new ATOM 0 HG LEU A 43 19.560 -10.416 4.787 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.495 -11.760 4.768 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.206 -11.621 3.143 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.396 -13.127 4.072 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.938 -11.743 6.769 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.895 -13.109 6.149 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.703 -11.590 6.604 1.00 61.35 H new ATOM 658 N ASP A 44 23.626 -13.263 4.316 1.00 13.11 N ATOM 659 CA ASP A 44 24.687 -14.131 3.818 1.00 72.53 C ATOM 660 C ASP A 44 24.112 -15.272 2.985 1.00 75.24 C ATOM 661 O ASP A 44 22.942 -15.626 3.125 1.00 40.44 O ATOM 662 CB ASP A 44 25.503 -14.693 4.983 1.00 51.15 C ATOM 663 CG ASP A 44 26.900 -15.109 4.565 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.540 -14.356 3.801 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.353 -16.187 5.002 1.00 63.34 O ATOM 0 H ASP A 44 23.161 -13.605 5.157 1.00 13.11 H new ATOM 0 HA ASP A 44 25.340 -13.535 3.180 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.571 -13.942 5.770 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.983 -15.552 5.406 1.00 51.15 H new ATOM 670 N SER A 45 24.942 -15.843 2.119 1.00 65.32 N ATOM 671 CA SER A 45 24.514 -16.940 1.260 1.00 60.12 C ATOM 672 C SER A 45 23.947 -18.089 2.089 1.00 31.24 C ATOM 673 O SER A 45 23.135 -18.879 1.604 1.00 40.22 O ATOM 674 CB SER A 45 25.686 -17.440 0.413 1.00 63.42 C ATOM 675 OG SER A 45 26.560 -18.252 1.178 1.00 12.42 O ATOM 0 H SER A 45 25.915 -15.564 1.994 1.00 65.32 H new ATOM 0 HA SER A 45 23.730 -16.567 0.600 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.308 -18.008 -0.437 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.235 -16.590 0.009 1.00 63.42 H new ATOM 0 HG SER A 45 27.299 -18.560 0.613 1.00 12.42 H new ATOM 681 N LEU A 46 24.378 -18.175 3.342 1.00 71.33 N ATOM 682 CA LEU A 46 23.913 -19.227 4.241 1.00 25.25 C ATOM 683 C LEU A 46 22.475 -18.973 4.678 1.00 62.14 C ATOM 684 O LEU A 46 21.688 -19.907 4.830 1.00 62.33 O ATOM 685 CB LEU A 46 24.824 -19.315 5.467 1.00 13.24 C ATOM 686 CG LEU A 46 26.228 -19.868 5.224 1.00 31.11 C ATOM 687 CD1 LEU A 46 27.202 -19.325 6.258 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.214 -21.389 5.247 1.00 75.23 C ATOM 0 H LEU A 46 25.049 -17.530 3.759 1.00 71.33 H new ATOM 0 HA LEU A 46 23.947 -20.174 3.702 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.918 -18.318 5.897 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.334 -19.939 6.214 1.00 13.24 H new ATOM 0 HG LEU A 46 26.560 -19.544 4.238 1.00 31.11 H new ATOM 0 HD11 LEU A 46 28.196 -19.730 6.069 1.00 42.14 H new ATOM 0 HD12 LEU A 46 27.234 -18.237 6.192 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.875 -19.618 7.255 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.222 -21.765 5.072 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.861 -21.735 6.219 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.549 -21.759 4.467 1.00 75.23 H new ATOM 700 N ASP A 47 22.137 -17.703 4.876 1.00 2.12 N ATOM 701 CA ASP A 47 20.791 -17.327 5.292 1.00 55.22 C ATOM 702 C ASP A 47 19.816 -17.414 4.123 1.00 62.23 C ATOM 703 O ASP A 47 18.727 -17.974 4.251 1.00 64.30 O ATOM 704 CB ASP A 47 20.791 -15.908 5.866 1.00 35.55 C ATOM 705 CG ASP A 47 20.281 -15.862 7.293 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.241 -16.495 7.572 1.00 73.34 O ATOM 707 OD2 ASP A 47 20.920 -15.192 8.131 1.00 22.24 O ATOM 0 H ASP A 47 22.776 -16.917 4.755 1.00 2.12 H new ATOM 0 HA ASP A 47 20.468 -18.025 6.064 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.803 -15.505 5.832 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.171 -15.266 5.240 1.00 35.55 H new ATOM 712 N PHE A 48 20.213 -16.858 2.983 1.00 64.30 N ATOM 713 CA PHE A 48 19.374 -16.872 1.791 1.00 64.44 C ATOM 714 C PHE A 48 18.901 -18.288 1.477 1.00 11.41 C ATOM 715 O PHE A 48 17.722 -18.515 1.203 1.00 74.22 O ATOM 716 CB PHE A 48 20.139 -16.301 0.596 1.00 22.22 C ATOM 717 CG PHE A 48 19.247 -15.839 -0.521 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.676 -14.576 -0.492 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.980 -16.666 -1.599 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.855 -14.148 -1.518 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.160 -16.243 -2.628 1.00 10.41 C ATOM 722 CZ PHE A 48 17.596 -14.983 -2.587 1.00 43.02 C ATOM 0 H PHE A 48 21.112 -16.392 2.860 1.00 64.30 H new ATOM 0 HA PHE A 48 18.500 -16.250 1.984 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.750 -15.463 0.932 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.821 -17.061 0.215 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.875 -13.919 0.342 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.417 -17.653 -1.636 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.416 -13.162 -1.484 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.960 -16.897 -3.464 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.954 -14.651 -3.389 1.00 43.02 H new ATOM 732 N VAL A 49 19.829 -19.239 1.517 1.00 31.14 N ATOM 733 CA VAL A 49 19.509 -20.634 1.237 1.00 4.02 C ATOM 734 C VAL A 49 18.377 -21.128 2.131 1.00 75.11 C ATOM 735 O VAL A 49 17.362 -21.628 1.647 1.00 13.45 O ATOM 736 CB VAL A 49 20.736 -21.542 1.431 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.347 -23.005 1.283 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.835 -21.172 0.445 1.00 40.22 C ATOM 0 H VAL A 49 20.809 -19.069 1.741 1.00 31.14 H new ATOM 0 HA VAL A 49 19.193 -20.683 0.195 1.00 4.02 H new ATOM 0 HB VAL A 49 21.120 -21.393 2.440 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.228 -23.632 1.423 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.597 -23.260 2.032 1.00 42.05 H new ATOM 0 HG13 VAL A 49 19.937 -23.174 0.287 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.695 -21.824 0.597 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.465 -21.290 -0.573 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.133 -20.136 0.605 1.00 40.22 H new ATOM 748 N ASP A 50 18.559 -20.983 3.439 1.00 22.50 N ATOM 749 CA ASP A 50 17.553 -21.413 4.403 1.00 13.12 C ATOM 750 C ASP A 50 16.226 -20.702 4.158 1.00 71.13 C ATOM 751 O ASP A 50 15.156 -21.261 4.397 1.00 54.43 O ATOM 752 CB ASP A 50 18.034 -21.144 5.829 1.00 0.42 C ATOM 753 CG ASP A 50 17.035 -21.600 6.874 1.00 65.22 C ATOM 754 OD1 ASP A 50 16.035 -20.884 7.093 1.00 60.22 O ATOM 755 OD2 ASP A 50 17.252 -22.674 7.473 1.00 24.13 O ATOM 0 H ASP A 50 19.394 -20.571 3.856 1.00 22.50 H new ATOM 0 HA ASP A 50 17.399 -22.485 4.276 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.983 -21.655 5.991 1.00 0.42 H new ATOM 0 HB3 ASP A 50 18.221 -20.077 5.951 1.00 0.42 H new ATOM 760 N LEU A 51 16.304 -19.464 3.681 1.00 21.14 N ATOM 761 CA LEU A 51 15.108 -18.675 3.404 1.00 73.32 C ATOM 762 C LEU A 51 14.309 -19.281 2.254 1.00 12.04 C ATOM 763 O LEU A 51 13.137 -19.622 2.413 1.00 41.05 O ATOM 764 CB LEU A 51 15.493 -17.233 3.068 1.00 42.44 C ATOM 765 CG LEU A 51 15.465 -16.242 4.233 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.411 -15.082 3.967 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.051 -15.737 4.469 1.00 62.45 C ATOM 0 H LEU A 51 17.182 -18.985 3.478 1.00 21.14 H new ATOM 0 HA LEU A 51 14.484 -18.680 4.297 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.497 -17.236 2.643 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.820 -16.870 2.292 1.00 42.44 H new ATOM 0 HG LEU A 51 15.799 -16.758 5.133 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.379 -14.386 4.806 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.426 -15.460 3.848 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.107 -14.566 3.056 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.050 -15.033 5.301 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.688 -15.237 3.571 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.399 -16.578 4.704 1.00 62.45 H new ATOM 779 N ILE A 52 14.952 -19.413 1.098 1.00 42.41 N ATOM 780 CA ILE A 52 14.302 -19.983 -0.076 1.00 64.52 C ATOM 781 C ILE A 52 13.879 -21.425 0.175 1.00 62.04 C ATOM 782 O ILE A 52 12.826 -21.863 -0.288 1.00 73.21 O ATOM 783 CB ILE A 52 15.226 -19.936 -1.308 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.539 -20.665 -1.015 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.493 -18.496 -1.716 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.543 -20.578 -2.144 1.00 45.42 C ATOM 0 H ILE A 52 15.922 -19.133 0.950 1.00 42.41 H new ATOM 0 HA ILE A 52 13.417 -19.378 -0.272 1.00 64.52 H new ATOM 0 HB ILE A 52 14.729 -20.441 -2.136 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.983 -20.248 -0.111 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.325 -21.714 -0.810 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.147 -18.480 -2.588 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.550 -18.006 -1.961 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.973 -17.968 -0.892 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.449 -21.117 -1.867 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.118 -21.022 -3.044 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.786 -19.533 -2.335 1.00 45.42 H new ATOM 798 N MET A 53 14.706 -22.159 0.912 1.00 51.11 N ATOM 799 CA MET A 53 14.415 -23.553 1.228 1.00 32.40 C ATOM 800 C MET A 53 13.216 -23.661 2.163 1.00 13.42 C ATOM 801 O MET A 53 12.353 -24.520 1.985 1.00 74.24 O ATOM 802 CB MET A 53 15.635 -24.219 1.865 1.00 44.13 C ATOM 803 CG MET A 53 16.742 -24.538 0.873 1.00 25.10 C ATOM 804 SD MET A 53 17.412 -26.198 1.090 1.00 72.30 S ATOM 805 CE MET A 53 16.011 -27.197 0.589 1.00 3.12 C ATOM 0 H MET A 53 15.583 -21.812 1.302 1.00 51.11 H new ATOM 0 HA MET A 53 14.174 -24.067 0.297 1.00 32.40 H new ATOM 0 HB2 MET A 53 16.032 -23.565 2.641 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.321 -25.141 2.355 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.356 -24.436 -0.141 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.545 -23.809 0.984 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.353 -28.198 0.326 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.298 -27.262 1.411 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.529 -26.740 -0.275 1.00 3.12 H new ATOM 815 N SER A 54 13.168 -22.783 3.161 1.00 2.33 N ATOM 816 CA SER A 54 12.076 -22.782 4.127 1.00 62.54 C ATOM 817 C SER A 54 10.744 -22.492 3.442 1.00 44.30 C ATOM 818 O SER A 54 9.772 -23.229 3.611 1.00 20.01 O ATOM 819 CB SER A 54 12.337 -21.745 5.221 1.00 71.54 C ATOM 820 OG SER A 54 12.248 -20.428 4.706 1.00 73.12 O ATOM 0 H SER A 54 13.873 -22.064 3.321 1.00 2.33 H new ATOM 0 HA SER A 54 12.023 -23.772 4.580 1.00 62.54 H new ATOM 0 HB2 SER A 54 11.615 -21.873 6.028 1.00 71.54 H new ATOM 0 HB3 SER A 54 13.326 -21.905 5.650 1.00 71.54 H new ATOM 0 HG SER A 54 12.847 -20.337 3.936 1.00 73.12 H new ATOM 826 N LEU A 55 10.708 -21.414 2.667 1.00 14.25 N ATOM 827 CA LEU A 55 9.496 -21.024 1.955 1.00 10.24 C ATOM 828 C LEU A 55 9.114 -22.073 0.915 1.00 75.25 C ATOM 829 O LEU A 55 7.935 -22.360 0.714 1.00 71.11 O ATOM 830 CB LEU A 55 9.693 -19.667 1.277 1.00 41.14 C ATOM 831 CG LEU A 55 9.290 -18.442 2.098 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.765 -17.165 1.421 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.783 -18.409 2.303 1.00 42.13 C ATOM 0 H LEU A 55 11.504 -20.794 2.515 1.00 14.25 H new ATOM 0 HA LEU A 55 8.687 -20.947 2.681 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.744 -19.568 1.006 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.122 -19.661 0.348 1.00 41.14 H new ATOM 0 HG LEU A 55 9.768 -18.511 3.075 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.469 -16.304 2.020 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.851 -17.185 1.327 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.316 -17.090 0.431 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.515 -17.530 2.889 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.285 -18.365 1.334 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.468 -19.308 2.832 1.00 42.13 H new ATOM 845 N GLU A 56 10.121 -22.644 0.261 1.00 54.04 N ATOM 846 CA GLU A 56 9.889 -23.663 -0.756 1.00 2.32 C ATOM 847 C GLU A 56 9.146 -24.860 -0.169 1.00 62.44 C ATOM 848 O GLU A 56 8.122 -25.288 -0.699 1.00 54.25 O ATOM 849 CB GLU A 56 11.217 -24.122 -1.362 1.00 1.43 C ATOM 850 CG GLU A 56 11.056 -25.116 -2.499 1.00 42.31 C ATOM 851 CD GLU A 56 12.348 -25.838 -2.830 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.350 -25.156 -3.127 1.00 62.11 O ATOM 853 OE2 GLU A 56 12.355 -27.087 -2.791 1.00 14.34 O ATOM 0 H GLU A 56 11.103 -22.419 0.417 1.00 54.04 H new ATOM 0 HA GLU A 56 9.272 -23.223 -1.539 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.761 -23.251 -1.727 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.827 -24.574 -0.580 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.293 -25.848 -2.232 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.699 -24.593 -3.386 1.00 42.31 H new ATOM 860 N GLU A 57 9.671 -25.393 0.930 1.00 54.50 N ATOM 861 CA GLU A 57 9.058 -26.541 1.589 1.00 24.33 C ATOM 862 C GLU A 57 7.760 -26.140 2.286 1.00 63.24 C ATOM 863 O GLU A 57 6.855 -26.957 2.452 1.00 51.32 O ATOM 864 CB GLU A 57 10.027 -27.152 2.604 1.00 70.42 C ATOM 865 CG GLU A 57 10.222 -26.300 3.847 1.00 45.51 C ATOM 866 CD GLU A 57 11.127 -26.960 4.870 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.344 -27.061 4.609 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.617 -27.376 5.931 1.00 54.44 O ATOM 0 H GLU A 57 10.518 -25.049 1.382 1.00 54.50 H new ATOM 0 HA GLU A 57 8.826 -27.284 0.826 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.658 -28.134 2.901 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.993 -27.306 2.124 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.645 -25.337 3.560 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.252 -26.099 4.301 1.00 45.51 H new ATOM 875 N ARG A 58 7.679 -24.876 2.690 1.00 53.32 N ATOM 876 CA ARG A 58 6.495 -24.367 3.369 1.00 13.33 C ATOM 877 C ARG A 58 5.271 -24.445 2.462 1.00 74.53 C ATOM 878 O ARG A 58 4.266 -25.065 2.810 1.00 31.54 O ATOM 879 CB ARG A 58 6.719 -22.921 3.817 1.00 54.15 C ATOM 880 CG ARG A 58 5.530 -22.316 4.544 1.00 74.42 C ATOM 881 CD ARG A 58 5.745 -22.305 6.050 1.00 52.45 C ATOM 882 NE ARG A 58 4.506 -22.553 6.782 1.00 53.44 N ATOM 883 CZ ARG A 58 4.450 -22.713 8.099 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.558 -22.653 8.825 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.284 -22.935 8.693 1.00 23.43 N ATOM 0 H ARG A 58 8.419 -24.187 2.559 1.00 53.32 H new ATOM 0 HA ARG A 58 6.316 -24.989 4.246 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.591 -22.883 4.470 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.949 -22.311 2.944 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.366 -21.298 4.191 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.630 -22.884 4.308 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.481 -23.063 6.316 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.157 -21.341 6.350 1.00 52.45 H new ATOM 0 HE ARG A 58 3.636 -22.606 6.253 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.456 -22.484 8.372 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.512 -22.776 9.836 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.430 -22.983 8.138 1.00 23.43 H new ATOM 0 HH22 ARG A 58 3.242 -23.058 9.705 1.00 23.43 H new ATOM 899 N PHE A 59 5.363 -23.813 1.297 1.00 13.35 N ATOM 900 CA PHE A 59 4.263 -23.809 0.340 1.00 45.43 C ATOM 901 C PHE A 59 4.444 -24.912 -0.700 1.00 63.14 C ATOM 902 O PHE A 59 3.739 -24.950 -1.708 1.00 53.21 O ATOM 903 CB PHE A 59 4.167 -22.449 -0.354 1.00 45.14 C ATOM 904 CG PHE A 59 3.711 -21.344 0.555 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.621 -20.658 1.344 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.372 -20.990 0.620 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.204 -19.640 2.181 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.951 -19.973 1.456 1.00 62.10 C ATOM 909 CZ PHE A 59 2.867 -19.298 2.238 1.00 34.21 C ATOM 0 H PHE A 59 6.188 -23.297 0.993 1.00 13.35 H new ATOM 0 HA PHE A 59 3.338 -23.996 0.886 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.142 -22.191 -0.766 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.476 -22.526 -1.194 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.668 -20.922 1.304 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.650 -21.514 0.011 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.923 -19.112 2.790 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.905 -19.706 1.498 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.539 -18.504 2.893 1.00 34.21 H new ATOM 919 N SER A 60 5.394 -25.805 -0.447 1.00 31.03 N ATOM 920 CA SER A 60 5.672 -26.906 -1.362 1.00 23.01 C ATOM 921 C SER A 60 5.879 -26.392 -2.784 1.00 74.45 C ATOM 922 O SER A 60 5.597 -27.091 -3.757 1.00 64.52 O ATOM 923 CB SER A 60 4.526 -27.919 -1.336 1.00 35.11 C ATOM 924 OG SER A 60 4.979 -29.211 -1.706 1.00 74.33 O ATOM 0 H SER A 60 5.985 -25.788 0.384 1.00 31.03 H new ATOM 0 HA SER A 60 6.589 -27.396 -1.034 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.091 -27.955 -0.337 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.737 -27.598 -2.016 1.00 35.11 H new ATOM 0 HG SER A 60 5.417 -29.166 -2.582 1.00 74.33 H new ATOM 930 N LEU A 61 6.373 -25.163 -2.895 1.00 21.40 N ATOM 931 CA LEU A 61 6.619 -24.553 -4.197 1.00 71.22 C ATOM 932 C LEU A 61 7.867 -25.140 -4.847 1.00 54.53 C ATOM 933 O LEU A 61 8.760 -25.637 -4.162 1.00 0.43 O ATOM 934 CB LEU A 61 6.771 -23.037 -4.051 1.00 74.25 C ATOM 935 CG LEU A 61 7.105 -22.270 -5.331 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.997 -22.438 -6.359 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.333 -20.797 -5.025 1.00 62.50 C ATOM 0 H LEU A 61 6.611 -24.570 -2.100 1.00 21.40 H new ATOM 0 HA LEU A 61 5.764 -24.767 -4.838 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.843 -22.637 -3.643 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.553 -22.839 -3.318 1.00 74.25 H new ATOM 0 HG LEU A 61 8.024 -22.681 -5.749 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.252 -21.885 -7.263 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.882 -23.495 -6.600 1.00 25.20 H new ATOM 0 HD13 LEU A 61 5.061 -22.055 -5.952 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.570 -20.266 -5.947 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.431 -20.373 -4.584 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.162 -20.695 -4.325 1.00 62.50 H new ATOM 949 N GLU A 62 7.923 -25.078 -6.174 1.00 64.11 N ATOM 950 CA GLU A 62 9.062 -25.604 -6.916 1.00 40.54 C ATOM 951 C GLU A 62 9.984 -24.475 -7.370 1.00 32.21 C ATOM 952 O GLU A 62 9.769 -23.868 -8.420 1.00 65.30 O ATOM 953 CB GLU A 62 8.585 -26.405 -8.129 1.00 3.23 C ATOM 954 CG GLU A 62 8.067 -27.789 -7.777 1.00 44.02 C ATOM 955 CD GLU A 62 7.772 -28.630 -9.005 1.00 2.22 C ATOM 956 OE1 GLU A 62 6.718 -28.409 -9.638 1.00 32.41 O ATOM 957 OE2 GLU A 62 8.596 -29.509 -9.332 1.00 33.24 O ATOM 0 H GLU A 62 7.193 -24.669 -6.757 1.00 64.11 H new ATOM 0 HA GLU A 62 9.621 -26.263 -6.252 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.796 -25.848 -8.634 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.409 -26.503 -8.836 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.803 -28.302 -7.158 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.160 -27.693 -7.180 1.00 44.02 H new ATOM 964 N ILE A 63 11.009 -24.198 -6.570 1.00 12.34 N ATOM 965 CA ILE A 63 11.962 -23.143 -6.890 1.00 13.42 C ATOM 966 C ILE A 63 13.220 -23.716 -7.535 1.00 50.35 C ATOM 967 O ILE A 63 13.702 -24.779 -7.143 1.00 1.03 O ATOM 968 CB ILE A 63 12.361 -22.346 -5.634 1.00 13.21 C ATOM 969 CG1 ILE A 63 11.116 -21.782 -4.945 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.322 -21.225 -6.000 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.385 -21.242 -3.558 1.00 31.30 C ATOM 0 H ILE A 63 11.200 -24.689 -5.697 1.00 12.34 H new ATOM 0 HA ILE A 63 11.468 -22.474 -7.594 1.00 13.42 H new ATOM 0 HB ILE A 63 12.865 -23.019 -4.940 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.699 -20.986 -5.561 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.360 -22.565 -4.881 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.594 -20.671 -5.101 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.219 -21.648 -6.451 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.842 -20.551 -6.710 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.458 -20.859 -3.131 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.773 -22.040 -2.926 1.00 31.30 H new ATOM 0 HD13 ILE A 63 12.117 -20.437 -3.617 1.00 31.30 H new ATOM 983 N SER A 64 13.749 -23.002 -8.523 1.00 62.12 N ATOM 984 CA SER A 64 14.950 -23.440 -9.224 1.00 24.42 C ATOM 985 C SER A 64 16.131 -22.531 -8.898 1.00 43.13 C ATOM 986 O SER A 64 16.044 -21.672 -8.020 1.00 51.43 O ATOM 987 CB SER A 64 14.708 -23.456 -10.735 1.00 11.30 C ATOM 988 OG SER A 64 13.478 -24.087 -11.046 1.00 62.42 O ATOM 0 H SER A 64 13.365 -22.118 -8.856 1.00 62.12 H new ATOM 0 HA SER A 64 15.187 -24.450 -8.890 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.704 -22.435 -11.117 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.525 -23.979 -11.232 1.00 11.30 H new ATOM 0 HG SER A 64 12.752 -23.431 -10.995 1.00 62.42 H new ATOM 994 N ASP A 65 17.236 -22.727 -9.609 1.00 62.34 N ATOM 995 CA ASP A 65 18.435 -21.927 -9.396 1.00 23.42 C ATOM 996 C ASP A 65 18.295 -20.555 -10.048 1.00 74.13 C ATOM 997 O ASP A 65 18.619 -19.533 -9.443 1.00 54.05 O ATOM 998 CB ASP A 65 19.663 -22.648 -9.956 1.00 52.11 C ATOM 999 CG ASP A 65 20.958 -22.133 -9.361 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.968 -21.797 -8.158 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.964 -22.067 -10.098 1.00 71.50 O ATOM 0 H ASP A 65 17.326 -23.434 -10.339 1.00 62.34 H new ATOM 0 HA ASP A 65 18.563 -21.789 -8.322 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.575 -23.716 -9.758 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.690 -22.526 -11.039 1.00 52.11 H new ATOM 1006 N GLU A 66 17.811 -20.539 -11.286 1.00 21.54 N ATOM 1007 CA GLU A 66 17.629 -19.293 -12.020 1.00 3.53 C ATOM 1008 C GLU A 66 16.418 -18.525 -11.498 1.00 44.45 C ATOM 1009 O GLU A 66 16.386 -17.296 -11.533 1.00 51.24 O ATOM 1010 CB GLU A 66 17.463 -19.575 -13.515 1.00 13.04 C ATOM 1011 CG GLU A 66 18.765 -19.508 -14.294 1.00 65.22 C ATOM 1012 CD GLU A 66 18.553 -19.599 -15.794 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.269 -18.553 -16.416 1.00 23.41 O ATOM 1014 OE2 GLU A 66 18.671 -20.713 -16.344 1.00 75.31 O ATOM 0 H GLU A 66 17.538 -21.376 -11.802 1.00 21.54 H new ATOM 0 HA GLU A 66 18.518 -18.680 -11.870 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.023 -20.564 -13.643 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.760 -18.856 -13.936 1.00 13.04 H new ATOM 0 HG2 GLU A 66 19.277 -18.575 -14.059 1.00 65.22 H new ATOM 0 HG3 GLU A 66 19.418 -20.319 -13.973 1.00 65.22 H new ATOM 1021 N ASP A 67 15.422 -19.261 -11.016 1.00 50.34 N ATOM 1022 CA ASP A 67 14.208 -18.651 -10.487 1.00 4.40 C ATOM 1023 C ASP A 67 14.538 -17.654 -9.380 1.00 63.04 C ATOM 1024 O ASP A 67 14.023 -16.537 -9.364 1.00 63.01 O ATOM 1025 CB ASP A 67 13.261 -19.727 -9.954 1.00 31.35 C ATOM 1026 CG ASP A 67 12.866 -20.730 -11.020 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.266 -20.542 -12.189 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.156 -21.702 -10.687 1.00 23.01 O ATOM 0 H ASP A 67 15.432 -20.280 -10.981 1.00 50.34 H new ATOM 0 HA ASP A 67 13.717 -18.116 -11.300 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.740 -20.250 -9.126 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.364 -19.253 -9.555 1.00 31.35 H new ATOM 1033 N ALA A 68 15.400 -18.067 -8.456 1.00 50.52 N ATOM 1034 CA ALA A 68 15.800 -17.210 -7.347 1.00 14.12 C ATOM 1035 C ALA A 68 16.651 -16.043 -7.835 1.00 75.14 C ATOM 1036 O ALA A 68 16.736 -15.008 -7.174 1.00 20.01 O ATOM 1037 CB ALA A 68 16.558 -18.018 -6.303 1.00 45.43 C ATOM 0 H ALA A 68 15.834 -18.990 -8.454 1.00 50.52 H new ATOM 0 HA ALA A 68 14.898 -16.802 -6.891 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.851 -17.366 -5.480 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.918 -18.815 -5.924 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.449 -18.453 -6.756 1.00 45.43 H new ATOM 1043 N GLN A 69 17.278 -16.216 -8.994 1.00 33.43 N ATOM 1044 CA GLN A 69 18.123 -15.176 -9.567 1.00 50.50 C ATOM 1045 C GLN A 69 17.325 -13.902 -9.817 1.00 42.43 C ATOM 1046 O GLN A 69 17.890 -12.815 -9.941 1.00 20.02 O ATOM 1047 CB GLN A 69 18.752 -15.663 -10.874 1.00 42.55 C ATOM 1048 CG GLN A 69 20.256 -15.462 -10.939 1.00 42.41 C ATOM 1049 CD GLN A 69 21.017 -16.478 -10.111 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.594 -17.627 -9.975 1.00 60.33 O ATOM 1051 NE2 GLN A 69 22.147 -16.062 -9.552 1.00 70.11 N ATOM 0 H GLN A 69 17.217 -17.066 -9.554 1.00 33.43 H new ATOM 0 HA GLN A 69 18.915 -14.952 -8.852 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.530 -16.723 -11.001 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.288 -15.138 -11.708 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.583 -15.527 -11.977 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.500 -14.459 -10.590 1.00 42.41 H new ATOM 0 HE21 GLN A 69 22.461 -15.101 -9.690 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.701 -16.703 -8.984 1.00 70.11 H new ATOM 1060 N LYS A 70 16.005 -14.041 -9.891 1.00 74.45 N ATOM 1061 CA LYS A 70 15.126 -12.901 -10.125 1.00 1.53 C ATOM 1062 C LYS A 70 14.290 -12.596 -8.886 1.00 1.43 C ATOM 1063 O LYS A 70 13.357 -11.793 -8.937 1.00 51.12 O ATOM 1064 CB LYS A 70 14.208 -13.177 -11.318 1.00 34.22 C ATOM 1065 CG LYS A 70 13.263 -14.346 -11.102 1.00 63.44 C ATOM 1066 CD LYS A 70 11.993 -14.196 -11.922 1.00 33.11 C ATOM 1067 CE LYS A 70 11.098 -13.097 -11.367 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.722 -13.165 -11.932 1.00 44.31 N ATOM 0 H LYS A 70 15.520 -14.933 -9.792 1.00 74.45 H new ATOM 0 HA LYS A 70 15.747 -12.033 -10.345 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.623 -12.282 -11.530 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.820 -13.373 -12.198 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.764 -15.275 -11.373 1.00 63.44 H new ATOM 0 HG3 LYS A 70 13.008 -14.418 -10.045 1.00 63.44 H new ATOM 0 HD2 LYS A 70 12.251 -13.969 -12.956 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.449 -15.141 -11.929 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.050 -13.182 -10.281 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.535 -12.124 -11.592 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.143 -12.400 -11.530 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.766 -13.059 -12.966 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.295 -14.083 -11.696 1.00 44.31 H new ATOM 1082 N LEU A 71 14.631 -13.239 -7.775 1.00 13.15 N ATOM 1083 CA LEU A 71 13.912 -13.034 -6.522 1.00 10.42 C ATOM 1084 C LEU A 71 14.858 -12.560 -5.423 1.00 61.30 C ATOM 1085 O LEU A 71 15.507 -13.368 -4.760 1.00 61.23 O ATOM 1086 CB LEU A 71 13.219 -14.327 -6.092 1.00 23.55 C ATOM 1087 CG LEU A 71 12.269 -14.952 -7.114 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.770 -16.303 -6.623 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.100 -14.020 -7.395 1.00 12.53 C ATOM 0 H LEU A 71 15.400 -13.906 -7.716 1.00 13.15 H new ATOM 0 HA LEU A 71 13.159 -12.263 -6.685 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.986 -15.061 -5.842 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.658 -14.129 -5.179 1.00 23.55 H new ATOM 0 HG LEU A 71 12.817 -15.106 -8.044 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.095 -16.733 -7.363 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.618 -16.972 -6.474 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.239 -16.174 -5.680 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.434 -14.481 -8.125 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.553 -13.834 -6.471 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.474 -13.076 -7.791 1.00 12.53 H new ATOM 1101 N GLU A 72 14.927 -11.246 -5.235 1.00 14.33 N ATOM 1102 CA GLU A 72 15.793 -10.666 -4.215 1.00 73.52 C ATOM 1103 C GLU A 72 14.991 -9.793 -3.253 1.00 43.43 C ATOM 1104 O GLU A 72 15.201 -9.830 -2.040 1.00 73.12 O ATOM 1105 CB GLU A 72 16.903 -9.838 -4.866 1.00 41.34 C ATOM 1106 CG GLU A 72 16.386 -8.727 -5.765 1.00 21.33 C ATOM 1107 CD GLU A 72 17.451 -8.193 -6.703 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.618 -8.622 -6.583 1.00 52.00 O ATOM 1109 OE2 GLU A 72 17.118 -7.345 -7.556 1.00 42.31 O ATOM 0 H GLU A 72 14.394 -10.564 -5.775 1.00 14.33 H new ATOM 0 HA GLU A 72 16.243 -11.483 -3.650 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.525 -9.402 -4.085 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.543 -10.499 -5.451 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.545 -9.100 -6.350 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.008 -7.912 -5.148 1.00 21.33 H new ATOM 1116 N THR A 73 14.069 -9.009 -3.803 1.00 72.44 N ATOM 1117 CA THR A 73 13.237 -8.125 -2.996 1.00 4.34 C ATOM 1118 C THR A 73 12.031 -8.869 -2.434 1.00 12.00 C ATOM 1119 O THR A 73 11.683 -9.953 -2.903 1.00 42.34 O ATOM 1120 CB THR A 73 12.746 -6.916 -3.812 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.246 -7.351 -5.081 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.869 -5.911 -4.022 1.00 4.33 C ATOM 0 H THR A 73 13.880 -8.968 -4.804 1.00 72.44 H new ATOM 0 HA THR A 73 13.858 -7.770 -2.173 1.00 4.34 H new ATOM 0 HB THR A 73 11.946 -6.431 -3.253 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.934 -6.576 -5.593 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.497 -5.066 -4.601 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.227 -5.559 -3.055 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.688 -6.388 -4.561 1.00 4.33 H new ATOM 1130 N VAL A 74 11.396 -8.279 -1.426 1.00 44.25 N ATOM 1131 CA VAL A 74 10.226 -8.885 -0.800 1.00 71.10 C ATOM 1132 C VAL A 74 9.086 -9.040 -1.800 1.00 60.12 C ATOM 1133 O VAL A 74 8.568 -10.140 -2.002 1.00 22.51 O ATOM 1134 CB VAL A 74 9.734 -8.050 0.397 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.479 -8.667 0.997 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.829 -7.924 1.444 1.00 34.04 C ATOM 0 H VAL A 74 11.672 -7.382 -1.025 1.00 44.25 H new ATOM 0 HA VAL A 74 10.531 -9.870 -0.446 1.00 71.10 H new ATOM 0 HB VAL A 74 9.485 -7.049 0.043 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.145 -8.064 1.842 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.693 -8.701 0.242 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.698 -9.679 1.338 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.464 -7.331 2.283 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.111 -8.916 1.797 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.698 -7.434 1.004 1.00 34.04 H new ATOM 1146 N ASP A 75 8.702 -7.935 -2.426 1.00 22.54 N ATOM 1147 CA ASP A 75 7.623 -7.947 -3.409 1.00 40.14 C ATOM 1148 C ASP A 75 7.895 -8.978 -4.501 1.00 70.00 C ATOM 1149 O ASP A 75 7.008 -9.740 -4.883 1.00 42.53 O ATOM 1150 CB ASP A 75 7.455 -6.560 -4.031 1.00 63.23 C ATOM 1151 CG ASP A 75 6.121 -6.397 -4.732 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.113 -6.931 -4.221 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.084 -5.737 -5.791 1.00 23.41 O ATOM 0 H ASP A 75 9.121 -7.018 -2.271 1.00 22.54 H new ATOM 0 HA ASP A 75 6.701 -8.221 -2.897 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.548 -5.802 -3.253 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.261 -6.385 -4.744 1.00 63.23 H new ATOM 1158 N ASP A 76 9.127 -8.994 -4.998 1.00 53.01 N ATOM 1159 CA ASP A 76 9.515 -9.931 -6.046 1.00 32.13 C ATOM 1160 C ASP A 76 9.313 -11.371 -5.590 1.00 4.15 C ATOM 1161 O ASP A 76 8.692 -12.174 -6.290 1.00 73.03 O ATOM 1162 CB ASP A 76 10.976 -9.709 -6.442 1.00 73.52 C ATOM 1163 CG ASP A 76 11.150 -8.526 -7.375 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.209 -7.713 -7.483 1.00 14.20 O ATOM 1165 OD2 ASP A 76 12.228 -8.414 -7.997 1.00 43.24 O ATOM 0 H ASP A 76 9.873 -8.370 -4.692 1.00 53.01 H new ATOM 0 HA ASP A 76 8.879 -9.751 -6.913 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.573 -9.550 -5.544 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.359 -10.608 -6.925 1.00 73.52 H new ATOM 1170 N ILE A 77 9.839 -11.694 -4.413 1.00 33.41 N ATOM 1171 CA ILE A 77 9.715 -13.038 -3.864 1.00 42.01 C ATOM 1172 C ILE A 77 8.254 -13.406 -3.635 1.00 14.23 C ATOM 1173 O ILE A 77 7.771 -14.417 -4.146 1.00 4.43 O ATOM 1174 CB ILE A 77 10.482 -13.175 -2.534 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.965 -12.863 -2.741 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.305 -14.575 -1.964 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.643 -12.309 -1.508 1.00 0.20 C ATOM 0 H ILE A 77 10.355 -11.043 -3.821 1.00 33.41 H new ATOM 0 HA ILE A 77 10.148 -13.719 -4.596 1.00 42.01 H new ATOM 0 HB ILE A 77 10.075 -12.458 -1.821 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.480 -13.772 -3.051 1.00 31.21 H new ATOM 0 HG13 ILE A 77 12.067 -12.146 -3.555 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.852 -14.657 -1.025 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.246 -14.764 -1.785 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.690 -15.308 -2.673 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.692 -12.111 -1.728 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.154 -11.382 -1.209 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.573 -13.034 -0.697 1.00 0.20 H new ATOM 1189 N CYS A 78 7.554 -12.579 -2.866 1.00 61.25 N ATOM 1190 CA CYS A 78 6.145 -12.817 -2.571 1.00 2.14 C ATOM 1191 C CYS A 78 5.336 -12.954 -3.856 1.00 72.24 C ATOM 1192 O CYS A 78 4.405 -13.756 -3.932 1.00 42.05 O ATOM 1193 CB CYS A 78 5.583 -11.679 -1.718 1.00 33.40 C ATOM 1194 SG CYS A 78 3.998 -12.057 -0.936 1.00 42.35 S ATOM 0 H CYS A 78 7.939 -11.738 -2.436 1.00 61.25 H new ATOM 0 HA CYS A 78 6.068 -13.751 -2.014 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.308 -11.428 -0.943 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.466 -10.794 -2.344 1.00 33.40 H new ATOM 0 HG CYS A 78 3.338 -12.897 -1.677 1.00 42.35 H new ATOM 1200 N ARG A 79 5.696 -12.165 -4.863 1.00 42.12 N ATOM 1201 CA ARG A 79 5.001 -12.196 -6.144 1.00 32.51 C ATOM 1202 C ARG A 79 5.189 -13.544 -6.832 1.00 62.11 C ATOM 1203 O ARG A 79 4.226 -14.161 -7.286 1.00 54.33 O ATOM 1204 CB ARG A 79 5.509 -11.073 -7.051 1.00 34.14 C ATOM 1205 CG ARG A 79 4.834 -9.734 -6.798 1.00 33.33 C ATOM 1206 CD ARG A 79 3.727 -9.469 -7.806 1.00 43.34 C ATOM 1207 NE ARG A 79 3.010 -8.229 -7.518 1.00 64.15 N ATOM 1208 CZ ARG A 79 2.011 -7.769 -8.262 1.00 42.12 C ATOM 1209 NH1 ARG A 79 1.611 -8.442 -9.333 1.00 41.13 N ATOM 1210 NH2 ARG A 79 1.408 -6.632 -7.936 1.00 72.00 N ATOM 0 H ARG A 79 6.465 -11.496 -4.816 1.00 42.12 H new ATOM 0 HA ARG A 79 3.938 -12.049 -5.956 1.00 32.51 H new ATOM 0 HB2 ARG A 79 6.584 -10.961 -6.909 1.00 34.14 H new ATOM 0 HB3 ARG A 79 5.353 -11.359 -8.091 1.00 34.14 H new ATOM 0 HG2 ARG A 79 4.421 -9.718 -5.790 1.00 33.33 H new ATOM 0 HG3 ARG A 79 5.575 -8.936 -6.851 1.00 33.33 H new ATOM 0 HD2 ARG A 79 4.154 -9.417 -8.808 1.00 43.34 H new ATOM 0 HD3 ARG A 79 3.025 -10.303 -7.801 1.00 43.34 H new ATOM 0 HE ARG A 79 3.292 -7.687 -6.701 1.00 64.15 H new ATOM 0 HH11 ARG A 79 2.071 -9.316 -9.587 1.00 41.13 H new ATOM 0 HH12 ARG A 79 0.843 -8.085 -9.902 1.00 41.13 H new ATOM 0 HH21 ARG A 79 1.712 -6.111 -7.113 1.00 72.00 H new ATOM 0 HH22 ARG A 79 0.641 -6.279 -8.508 1.00 72.00 H new ATOM 1224 N TYR A 80 6.437 -13.996 -6.906 1.00 65.34 N ATOM 1225 CA TYR A 80 6.752 -15.269 -7.541 1.00 50.23 C ATOM 1226 C TYR A 80 6.043 -16.421 -6.835 1.00 33.42 C ATOM 1227 O TYR A 80 5.571 -17.361 -7.476 1.00 3.40 O ATOM 1228 CB TYR A 80 8.264 -15.506 -7.534 1.00 55.12 C ATOM 1229 CG TYR A 80 8.660 -16.899 -7.968 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.733 -17.939 -7.050 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.964 -17.174 -9.295 1.00 64.12 C ATOM 1232 CE1 TYR A 80 9.095 -19.214 -7.441 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.326 -18.446 -9.696 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.391 -19.463 -8.766 1.00 53.44 C ATOM 1235 OH TYR A 80 9.753 -20.730 -9.161 1.00 12.11 O ATOM 0 H TYR A 80 7.246 -13.499 -6.534 1.00 65.34 H new ATOM 0 HA TYR A 80 6.401 -15.228 -8.572 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.740 -14.780 -8.193 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.647 -15.325 -6.530 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.503 -17.748 -6.012 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.917 -16.380 -10.026 1.00 64.12 H new ATOM 0 HE1 TYR A 80 9.146 -20.011 -6.714 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.557 -18.643 -10.732 1.00 4.04 H new ATOM 0 HH TYR A 80 10.612 -20.693 -9.632 1.00 12.11 H new ATOM 1245 N ILE A 81 5.971 -16.340 -5.511 1.00 75.45 N ATOM 1246 CA ILE A 81 5.318 -17.373 -4.717 1.00 44.21 C ATOM 1247 C ILE A 81 3.800 -17.283 -4.840 1.00 45.44 C ATOM 1248 O ILE A 81 3.107 -18.300 -4.851 1.00 63.42 O ATOM 1249 CB ILE A 81 5.708 -17.273 -3.231 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.222 -17.426 -3.068 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.973 -18.327 -2.417 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.690 -17.310 -1.635 1.00 20.45 C ATOM 0 H ILE A 81 6.357 -15.569 -4.965 1.00 75.45 H new ATOM 0 HA ILE A 81 5.656 -18.332 -5.108 1.00 44.21 H new ATOM 0 HB ILE A 81 5.418 -16.290 -2.860 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.526 -18.395 -3.464 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.723 -16.666 -3.668 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.260 -18.243 -1.369 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.898 -18.176 -2.512 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.234 -19.319 -2.786 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.773 -17.429 -1.595 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.417 -16.331 -1.241 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.218 -18.087 -1.034 1.00 20.45 H new ATOM 1264 N ALA A 82 3.291 -16.059 -4.932 1.00 24.44 N ATOM 1265 CA ALA A 82 1.856 -15.836 -5.057 1.00 74.32 C ATOM 1266 C ALA A 82 1.350 -16.276 -6.427 1.00 1.20 C ATOM 1267 O ALA A 82 0.321 -16.943 -6.535 1.00 72.43 O ATOM 1268 CB ALA A 82 1.527 -14.371 -4.816 1.00 50.42 C ATOM 0 H ALA A 82 3.851 -15.207 -4.922 1.00 24.44 H new ATOM 0 HA ALA A 82 1.352 -16.439 -4.302 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.452 -14.219 -4.913 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.845 -14.087 -3.813 1.00 50.42 H new ATOM 0 HB3 ALA A 82 2.048 -13.756 -5.550 1.00 50.42 H new ATOM 1274 N SER A 83 2.078 -15.895 -7.472 1.00 34.12 N ATOM 1275 CA SER A 83 1.700 -16.247 -8.835 1.00 43.14 C ATOM 1276 C SER A 83 1.517 -17.755 -8.977 1.00 54.13 C ATOM 1277 O SER A 83 0.764 -18.223 -9.831 1.00 22.31 O ATOM 1278 CB SER A 83 2.760 -15.755 -9.824 1.00 1.43 C ATOM 1279 OG SER A 83 2.294 -15.850 -11.159 1.00 10.43 O ATOM 0 H SER A 83 2.933 -15.343 -7.400 1.00 34.12 H new ATOM 0 HA SER A 83 0.750 -15.761 -9.059 1.00 43.14 H new ATOM 0 HB2 SER A 83 3.020 -14.721 -9.599 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.670 -16.344 -9.710 1.00 1.43 H new ATOM 0 HG SER A 83 2.988 -15.529 -11.771 1.00 10.43 H new ATOM 1285 N LYS A 84 2.213 -18.511 -8.134 1.00 42.25 N ATOM 1286 CA LYS A 84 2.128 -19.966 -8.162 1.00 0.24 C ATOM 1287 C LYS A 84 0.890 -20.454 -7.416 1.00 65.15 C ATOM 1288 O LYS A 84 0.303 -21.477 -7.769 1.00 0.04 O ATOM 1289 CB LYS A 84 3.385 -20.583 -7.545 1.00 70.24 C ATOM 1290 CG LYS A 84 4.666 -20.212 -8.274 1.00 52.41 C ATOM 1291 CD LYS A 84 4.991 -21.210 -9.372 1.00 32.14 C ATOM 1292 CE LYS A 84 6.428 -21.066 -9.849 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.555 -20.044 -10.925 1.00 51.04 N ATOM 0 H LYS A 84 2.843 -18.139 -7.423 1.00 42.25 H new ATOM 0 HA LYS A 84 2.050 -20.280 -9.203 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.463 -20.264 -6.506 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.282 -21.668 -7.539 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.565 -19.216 -8.705 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.491 -20.170 -7.563 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.829 -22.223 -9.004 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.311 -21.063 -10.211 1.00 32.14 H new ATOM 0 HE2 LYS A 84 7.064 -20.789 -9.008 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.787 -22.027 -10.217 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 6.667 -20.519 -11.843 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 5.700 -19.452 -10.944 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 7.386 -19.447 -10.740 1.00 51.04 H new