USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 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 -120:sc= 0.136 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.0179 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.00756 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.606 USER MOD Set 3.1: A 16 SER OG : rot 111:sc= 0.635 USER MOD Set 3.2: A 20 CYS SG : rot 85:sc= -0.414 USER MOD Set 3.3: A 54 SER OG : rot -146:sc= 0.71 USER MOD Single : A 6 SER OG : rot 150:sc= -0.614 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.173 K(o=-0.17,f=-6.2!) USER MOD Single : A 14 MET CE :methyl -176:sc= -2.33! (180deg=-2.38!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.88 K(o=-2.9,f=-3.8!) USER MOD Single : A 27 GLN : amide:sc= -0.731 K(o=-0.73,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0.594 (180deg=-0.206) USER MOD Single : A 29 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.4 K(o=-1.4,f=-9.7!) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.181 (180deg=-1.04) 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 153:sc= -0.178 (180deg=-0.862) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 87:sc= 0.66 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00912) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 78 CYS SG : rot -29:sc= -0.31 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.496 -11.656 -2.653 1.00 10.42 N ATOM 67 CA SER A 6 -1.181 -12.591 -1.767 1.00 13.32 C ATOM 68 C SER A 6 -0.913 -12.250 -0.305 1.00 1.55 C ATOM 69 O SER A 6 0.061 -12.716 0.284 1.00 70.20 O ATOM 70 CB SER A 6 -0.733 -14.024 -2.059 1.00 31.11 C ATOM 71 OG SER A 6 -1.590 -14.963 -1.434 1.00 12.30 O ATOM 0 HA SER A 6 -2.252 -12.508 -1.950 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.726 -14.194 -3.136 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.288 -14.168 -1.707 1.00 31.11 H new ATOM 0 HG SER A 6 -1.619 -15.785 -1.967 1.00 12.30 H new ATOM 77 N GLU A 7 -1.786 -11.432 0.275 1.00 25.12 N ATOM 78 CA GLU A 7 -1.643 -11.027 1.669 1.00 23.40 C ATOM 79 C GLU A 7 -1.475 -12.244 2.575 1.00 11.43 C ATOM 80 O GLU A 7 -0.821 -12.170 3.614 1.00 4.20 O ATOM 81 CB GLU A 7 -2.860 -10.212 2.113 1.00 61.41 C ATOM 82 CG GLU A 7 -2.601 -9.353 3.340 1.00 52.15 C ATOM 83 CD GLU A 7 -2.755 -10.124 4.636 1.00 32.24 C ATOM 84 OE1 GLU A 7 -3.774 -10.829 4.788 1.00 13.40 O ATOM 85 OE2 GLU A 7 -1.857 -10.023 5.498 1.00 63.30 O ATOM 0 H GLU A 7 -2.599 -11.037 -0.198 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.749 -10.408 1.751 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.177 -9.570 1.291 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.685 -10.892 2.323 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.593 -8.941 3.284 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -3.291 -8.509 3.340 1.00 52.15 H new ATOM 92 N GLU A 8 -2.069 -13.362 2.170 1.00 62.33 N ATOM 93 CA GLU A 8 -1.987 -14.594 2.945 1.00 22.01 C ATOM 94 C GLU A 8 -0.544 -15.084 3.034 1.00 45.53 C ATOM 95 O GLU A 8 -0.032 -15.346 4.124 1.00 0.33 O ATOM 96 CB GLU A 8 -2.868 -15.677 2.320 1.00 5.22 C ATOM 97 CG GLU A 8 -3.001 -16.924 3.178 1.00 4.01 C ATOM 98 CD GLU A 8 -3.988 -17.923 2.606 1.00 65.32 C ATOM 99 OE1 GLU A 8 -3.588 -18.711 1.722 1.00 10.50 O ATOM 100 OE2 GLU A 8 -5.158 -17.918 3.040 1.00 20.33 O ATOM 0 H GLU A 8 -2.612 -13.440 1.310 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.345 -14.384 3.953 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.860 -15.265 2.136 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.454 -15.956 1.351 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.025 -17.399 3.276 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.319 -16.638 4.181 1.00 4.01 H new ATOM 107 N ILE A 9 0.105 -15.207 1.881 1.00 60.43 N ATOM 108 CA ILE A 9 1.487 -15.665 1.829 1.00 52.14 C ATOM 109 C ILE A 9 2.442 -14.591 2.338 1.00 13.42 C ATOM 110 O ILE A 9 3.478 -14.896 2.929 1.00 51.22 O ATOM 111 CB ILE A 9 1.895 -16.062 0.397 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.803 -16.918 -0.248 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.221 -16.806 0.411 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.164 -17.415 -1.631 1.00 72.45 C ATOM 0 H ILE A 9 -0.304 -14.996 0.971 1.00 60.43 H new ATOM 0 HA ILE A 9 1.553 -16.542 2.474 1.00 52.14 H new ATOM 0 HB ILE A 9 2.017 -15.155 -0.195 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.596 -17.774 0.395 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.116 -16.335 -0.308 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.495 -17.080 -0.608 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.994 -16.165 0.835 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.126 -17.708 1.016 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.345 -18.015 -2.028 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.342 -16.564 -2.288 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.066 -18.025 -1.575 1.00 72.45 H new ATOM 126 N LYS A 10 2.086 -13.332 2.106 1.00 24.45 N ATOM 127 CA LYS A 10 2.909 -12.211 2.543 1.00 53.51 C ATOM 128 C LYS A 10 3.256 -12.336 4.024 1.00 24.33 C ATOM 129 O LYS A 10 4.383 -12.059 4.431 1.00 33.51 O ATOM 130 CB LYS A 10 2.182 -10.889 2.289 1.00 74.03 C ATOM 131 CG LYS A 10 3.117 -9.703 2.121 1.00 54.41 C ATOM 132 CD LYS A 10 3.577 -9.162 3.465 1.00 65.13 C ATOM 133 CE LYS A 10 4.180 -7.773 3.329 1.00 45.24 C ATOM 134 NZ LYS A 10 3.134 -6.713 3.307 1.00 3.11 N ATOM 0 H LYS A 10 1.232 -13.063 1.617 1.00 24.45 H new ATOM 0 HA LYS A 10 3.835 -12.226 1.968 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.569 -10.987 1.393 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.504 -10.692 3.119 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.984 -10.002 1.532 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.610 -8.915 1.564 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.732 -9.127 4.153 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.313 -9.839 3.898 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.864 -7.591 4.158 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.769 -7.721 2.413 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.586 -5.781 3.213 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.496 -6.871 2.501 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.588 -6.745 4.192 1.00 3.11 H new ATOM 148 N ALA A 11 2.280 -12.756 4.822 1.00 50.21 N ATOM 149 CA ALA A 11 2.484 -12.920 6.256 1.00 34.33 C ATOM 150 C ALA A 11 3.411 -14.095 6.547 1.00 4.45 C ATOM 151 O ALA A 11 4.151 -14.084 7.530 1.00 53.20 O ATOM 152 CB ALA A 11 1.149 -13.111 6.960 1.00 43.42 C ATOM 0 H ALA A 11 1.341 -12.989 4.500 1.00 50.21 H new ATOM 0 HA ALA A 11 2.957 -12.015 6.637 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.316 -13.232 8.030 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.519 -12.239 6.788 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.654 -13.999 6.567 1.00 43.42 H new ATOM 158 N GLN A 12 3.365 -15.107 5.687 1.00 24.33 N ATOM 159 CA GLN A 12 4.200 -16.290 5.855 1.00 2.14 C ATOM 160 C GLN A 12 5.645 -15.995 5.469 1.00 42.14 C ATOM 161 O GLN A 12 6.577 -16.347 6.193 1.00 75.20 O ATOM 162 CB GLN A 12 3.661 -17.445 5.009 1.00 54.01 C ATOM 163 CG GLN A 12 2.501 -18.185 5.658 1.00 32.44 C ATOM 164 CD GLN A 12 2.939 -19.460 6.352 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.776 -20.558 5.820 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.499 -19.321 7.549 1.00 62.23 N ATOM 0 H GLN A 12 2.759 -15.131 4.867 1.00 24.33 H new ATOM 0 HA GLN A 12 4.174 -16.575 6.907 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.339 -17.057 4.043 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.469 -18.151 4.816 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.016 -17.530 6.382 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.758 -18.426 4.898 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.615 -18.392 7.953 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.813 -20.144 8.064 1.00 62.23 H new ATOM 175 N VAL A 13 5.826 -15.346 4.323 1.00 55.30 N ATOM 176 CA VAL A 13 7.159 -15.003 3.842 1.00 61.15 C ATOM 177 C VAL A 13 7.851 -14.029 4.789 1.00 35.34 C ATOM 178 O VAL A 13 9.033 -14.182 5.097 1.00 43.12 O ATOM 179 CB VAL A 13 7.104 -14.380 2.434 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.660 -15.414 1.410 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.178 -13.174 2.421 1.00 71.30 C ATOM 0 H VAL A 13 5.067 -15.047 3.711 1.00 55.30 H new ATOM 0 HA VAL A 13 7.729 -15.931 3.799 1.00 61.15 H new ATOM 0 HB VAL A 13 8.105 -14.043 2.165 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.627 -14.956 0.421 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.366 -16.244 1.402 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.669 -15.783 1.672 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.151 -12.747 1.419 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.174 -13.483 2.711 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.544 -12.426 3.125 1.00 71.30 H new ATOM 191 N MET A 14 7.107 -13.028 5.247 1.00 13.51 N ATOM 192 CA MET A 14 7.650 -12.029 6.162 1.00 42.15 C ATOM 193 C MET A 14 7.916 -12.638 7.535 1.00 13.12 C ATOM 194 O MET A 14 8.901 -12.303 8.191 1.00 73.12 O ATOM 195 CB MET A 14 6.687 -10.849 6.291 1.00 42.43 C ATOM 196 CG MET A 14 5.380 -11.203 6.982 1.00 3.14 C ATOM 197 SD MET A 14 5.412 -10.850 8.750 1.00 42.00 S ATOM 198 CE MET A 14 3.865 -11.588 9.271 1.00 52.44 C ATOM 0 H MET A 14 6.127 -12.886 5.000 1.00 13.51 H new ATOM 0 HA MET A 14 8.596 -11.673 5.753 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.177 -10.050 6.847 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.469 -10.459 5.297 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.566 -10.646 6.519 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.168 -12.261 6.830 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.706 -11.390 10.331 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.045 -11.159 8.695 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.901 -12.665 9.105 1.00 52.44 H new ATOM 208 N GLU A 15 7.029 -13.531 7.963 1.00 31.13 N ATOM 209 CA GLU A 15 7.168 -14.184 9.259 1.00 3.51 C ATOM 210 C GLU A 15 8.377 -15.116 9.273 1.00 40.41 C ATOM 211 O GLU A 15 9.059 -15.251 10.288 1.00 50.11 O ATOM 212 CB GLU A 15 5.901 -14.970 9.598 1.00 51.42 C ATOM 213 CG GLU A 15 6.022 -15.807 10.862 1.00 64.33 C ATOM 214 CD GLU A 15 4.732 -16.521 11.215 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.665 -15.874 11.170 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.790 -17.725 11.537 1.00 72.54 O ATOM 0 H GLU A 15 6.207 -13.818 7.431 1.00 31.13 H new ATOM 0 HA GLU A 15 7.319 -13.410 10.012 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.071 -14.273 9.712 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.655 -15.624 8.762 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.816 -16.542 10.732 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.316 -15.164 11.692 1.00 64.33 H new ATOM 223 N SER A 16 8.635 -15.756 8.136 1.00 34.34 N ATOM 224 CA SER A 16 9.758 -16.679 8.018 1.00 4.21 C ATOM 225 C SER A 16 11.078 -15.919 7.931 1.00 25.30 C ATOM 226 O SER A 16 12.077 -16.316 8.531 1.00 71.45 O ATOM 227 CB SER A 16 9.586 -17.568 6.784 1.00 21.44 C ATOM 228 OG SER A 16 10.311 -18.778 6.923 1.00 73.30 O ATOM 0 H SER A 16 8.082 -15.652 7.285 1.00 34.34 H new ATOM 0 HA SER A 16 9.778 -17.306 8.909 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.529 -17.789 6.635 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.928 -17.035 5.897 1.00 21.44 H new ATOM 0 HG SER A 16 9.685 -19.525 7.021 1.00 73.30 H new ATOM 234 N VAL A 17 11.075 -14.823 7.179 1.00 40.23 N ATOM 235 CA VAL A 17 12.271 -14.006 7.014 1.00 71.33 C ATOM 236 C VAL A 17 12.710 -13.400 8.342 1.00 73.43 C ATOM 237 O VAL A 17 13.865 -13.537 8.746 1.00 75.50 O ATOM 238 CB VAL A 17 12.040 -12.873 5.997 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.235 -11.932 5.964 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.766 -13.446 4.614 1.00 64.43 C ATOM 0 H VAL A 17 10.257 -14.480 6.674 1.00 40.23 H new ATOM 0 HA VAL A 17 13.056 -14.665 6.642 1.00 71.33 H new ATOM 0 HB VAL A 17 11.166 -12.302 6.309 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.053 -11.138 5.240 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.382 -11.495 6.952 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.128 -12.488 5.677 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.605 -12.631 3.908 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.620 -14.042 4.292 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.877 -14.075 4.651 1.00 64.43 H new ATOM 250 N ILE A 18 11.782 -12.729 9.017 1.00 20.20 N ATOM 251 CA ILE A 18 12.073 -12.104 10.300 1.00 4.21 C ATOM 252 C ILE A 18 12.788 -13.073 11.234 1.00 21.34 C ATOM 253 O ILE A 18 13.847 -12.762 11.779 1.00 62.42 O ATOM 254 CB ILE A 18 10.789 -11.600 10.985 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.127 -10.510 10.139 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.103 -11.078 12.380 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.635 -10.398 10.357 1.00 14.31 C ATOM 0 H ILE A 18 10.822 -12.605 8.696 1.00 20.20 H new ATOM 0 HA ILE A 18 12.724 -11.254 10.096 1.00 4.21 H new ATOM 0 HB ILE A 18 10.093 -12.434 11.078 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.592 -9.551 10.368 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.318 -10.713 9.085 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.186 -10.725 12.852 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.534 -11.879 12.980 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.814 -10.255 12.309 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.233 -9.606 9.725 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.158 -11.344 10.100 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.437 -10.164 11.403 1.00 14.31 H new ATOM 269 N GLY A 19 12.201 -14.253 11.416 1.00 20.44 N ATOM 270 CA GLY A 19 12.797 -15.252 12.284 1.00 33.42 C ATOM 271 C GLY A 19 14.008 -15.915 11.660 1.00 43.03 C ATOM 272 O GLY A 19 14.866 -16.448 12.366 1.00 24.14 O ATOM 0 H GLY A 19 11.324 -14.534 10.978 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.087 -14.784 13.225 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.053 -16.012 12.522 1.00 33.42 H new ATOM 276 N CYS A 20 14.079 -15.885 10.334 1.00 11.52 N ATOM 277 CA CYS A 20 15.193 -16.491 9.614 1.00 1.22 C ATOM 278 C CYS A 20 16.507 -15.801 9.965 1.00 65.11 C ATOM 279 O CYS A 20 17.491 -16.454 10.314 1.00 25.20 O ATOM 280 CB CYS A 20 14.953 -16.418 8.104 1.00 12.21 C ATOM 281 SG CYS A 20 14.414 -17.978 7.367 1.00 23.42 S ATOM 0 H CYS A 20 13.378 -15.447 9.736 1.00 11.52 H new ATOM 0 HA CYS A 20 15.261 -17.537 9.914 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.202 -15.655 7.903 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.873 -16.096 7.616 1.00 12.21 H new ATOM 0 HG CYS A 20 13.124 -18.089 7.480 1.00 23.42 H new ATOM 287 N LEU A 21 16.516 -14.475 9.870 1.00 53.41 N ATOM 288 CA LEU A 21 17.710 -13.695 10.176 1.00 51.22 C ATOM 289 C LEU A 21 17.568 -12.988 11.520 1.00 15.30 C ATOM 290 O LEU A 21 18.431 -12.202 11.914 1.00 53.22 O ATOM 291 CB LEU A 21 17.970 -12.669 9.071 1.00 25.12 C ATOM 292 CG LEU A 21 16.756 -12.257 8.238 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.942 -10.854 7.682 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.520 -13.253 7.113 1.00 52.43 C ATOM 0 H LEU A 21 15.710 -13.919 9.584 1.00 53.41 H new ATOM 0 HA LEU A 21 18.557 -14.379 10.234 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.394 -11.774 9.526 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.727 -13.073 8.398 1.00 25.12 H new ATOM 0 HG LEU A 21 15.878 -12.255 8.884 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.068 -10.578 7.092 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.062 -10.149 8.505 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.830 -10.828 7.050 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.652 -12.945 6.530 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.397 -13.287 6.467 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.341 -14.242 7.534 1.00 52.43 H new ATOM 306 N LYS A 22 16.476 -13.273 12.220 1.00 1.40 N ATOM 307 CA LYS A 22 16.221 -12.666 13.522 1.00 75.54 C ATOM 308 C LYS A 22 16.346 -11.149 13.449 1.00 52.33 C ATOM 309 O LYS A 22 17.430 -10.594 13.642 1.00 32.45 O ATOM 310 CB LYS A 22 17.195 -13.221 14.564 1.00 53.14 C ATOM 311 CG LYS A 22 17.304 -14.735 14.551 1.00 11.31 C ATOM 312 CD LYS A 22 18.059 -15.250 15.765 1.00 24.50 C ATOM 313 CE LYS A 22 19.493 -14.741 15.787 1.00 14.00 C ATOM 314 NZ LYS A 22 20.377 -15.611 16.611 1.00 54.14 N ATOM 0 H LYS A 22 15.752 -13.921 11.908 1.00 1.40 H new ATOM 0 HA LYS A 22 15.202 -12.913 13.818 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.182 -12.793 14.390 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.877 -12.897 15.555 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.306 -15.172 14.530 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.812 -15.056 13.642 1.00 11.31 H new ATOM 0 HD2 LYS A 22 17.546 -14.936 16.674 1.00 24.50 H new ATOM 0 HD3 LYS A 22 18.059 -16.340 15.760 1.00 24.50 H new ATOM 0 HE2 LYS A 22 19.877 -14.694 14.768 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.512 -13.725 16.182 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 21.345 -15.231 16.601 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 20.025 -15.636 17.589 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 20.379 -16.574 16.219 1.00 54.14 H new ATOM 328 N LEU A 23 15.232 -10.480 13.172 1.00 63.12 N ATOM 329 CA LEU A 23 15.216 -9.025 13.076 1.00 10.22 C ATOM 330 C LEU A 23 14.776 -8.397 14.395 1.00 71.20 C ATOM 331 O LEU A 23 14.183 -9.061 15.243 1.00 42.11 O ATOM 332 CB LEU A 23 14.285 -8.578 11.949 1.00 24.31 C ATOM 333 CG LEU A 23 14.845 -8.688 10.530 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.138 -7.897 10.405 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.071 -10.146 10.158 1.00 71.34 C ATOM 0 H LEU A 23 14.328 -10.923 13.010 1.00 63.12 H new ATOM 0 HA LEU A 23 16.229 -8.689 12.855 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.371 -9.170 12.004 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.004 -7.540 12.127 1.00 24.31 H new ATOM 0 HG LEU A 23 14.116 -8.266 9.838 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.522 -7.986 9.389 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.946 -6.848 10.629 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.874 -8.289 11.107 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.470 -10.206 9.145 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.781 -10.593 10.854 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.125 -10.685 10.208 1.00 71.34 H new ATOM 347 N ASN A 24 15.069 -7.110 14.559 1.00 45.20 N ATOM 348 CA ASN A 24 14.702 -6.391 15.773 1.00 65.04 C ATOM 349 C ASN A 24 13.666 -5.313 15.475 1.00 22.23 C ATOM 350 O ASN A 24 13.234 -5.150 14.332 1.00 61.52 O ATOM 351 CB ASN A 24 15.941 -5.761 16.412 1.00 25.14 C ATOM 352 CG ASN A 24 16.935 -5.265 15.380 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.609 -6.055 14.720 1.00 75.32 O ATOM 354 ND2 ASN A 24 17.029 -3.948 15.235 1.00 12.31 N ATOM 0 H ASN A 24 15.559 -6.545 13.866 1.00 45.20 H new ATOM 0 HA ASN A 24 14.265 -7.106 16.470 1.00 65.04 H new ATOM 0 HB2 ASN A 24 15.636 -4.930 17.047 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.426 -6.494 17.057 1.00 25.14 H new ATOM 0 HD21 ASN A 24 17.680 -3.555 14.555 1.00 12.31 H new ATOM 0 HD22 ASN A 24 16.450 -3.330 15.804 1.00 12.31 H new ATOM 361 N ASP A 25 13.270 -4.577 16.507 1.00 44.23 N ATOM 362 CA ASP A 25 12.286 -3.512 16.356 1.00 34.40 C ATOM 363 C ASP A 25 12.699 -2.543 15.253 1.00 23.34 C ATOM 364 O ASP A 25 11.904 -2.215 14.373 1.00 45.40 O ATOM 365 CB ASP A 25 12.112 -2.758 17.675 1.00 1.51 C ATOM 366 CG ASP A 25 13.428 -2.540 18.396 1.00 64.32 C ATOM 367 OD1 ASP A 25 14.076 -1.502 18.147 1.00 24.33 O ATOM 368 OD2 ASP A 25 13.810 -3.407 19.209 1.00 20.14 O ATOM 0 H ASP A 25 13.616 -4.699 17.459 1.00 44.23 H new ATOM 0 HA ASP A 25 11.335 -3.967 16.078 1.00 34.40 H new ATOM 0 HB2 ASP A 25 11.644 -1.793 17.479 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.435 -3.315 18.322 1.00 1.51 H new ATOM 373 N GLU A 26 13.947 -2.088 15.309 1.00 23.44 N ATOM 374 CA GLU A 26 14.464 -1.154 14.315 1.00 51.55 C ATOM 375 C GLU A 26 14.321 -1.725 12.906 1.00 41.22 C ATOM 376 O GLU A 26 13.730 -1.097 12.028 1.00 64.53 O ATOM 377 CB GLU A 26 15.933 -0.833 14.600 1.00 23.33 C ATOM 378 CG GLU A 26 16.196 -0.420 16.039 1.00 11.13 C ATOM 379 CD GLU A 26 17.495 0.348 16.196 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.565 -0.294 16.213 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.438 1.591 16.301 1.00 10.11 O ATOM 0 H GLU A 26 14.618 -2.350 16.031 1.00 23.44 H new ATOM 0 HA GLU A 26 13.880 -0.236 14.378 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.540 -1.707 14.365 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.257 -0.032 13.936 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.369 0.195 16.394 1.00 11.13 H new ATOM 0 HG3 GLU A 26 16.225 -1.309 16.669 1.00 11.13 H new ATOM 388 N GLN A 27 14.867 -2.919 12.700 1.00 43.14 N ATOM 389 CA GLN A 27 14.803 -3.574 11.399 1.00 70.43 C ATOM 390 C GLN A 27 13.355 -3.748 10.948 1.00 74.33 C ATOM 391 O GLN A 27 13.020 -3.502 9.789 1.00 70.11 O ATOM 392 CB GLN A 27 15.499 -4.934 11.453 1.00 60.33 C ATOM 393 CG GLN A 27 16.964 -4.852 11.852 1.00 35.01 C ATOM 394 CD GLN A 27 17.679 -3.679 11.210 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.496 -2.530 11.613 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.498 -3.963 10.205 1.00 31.11 N ATOM 0 H GLN A 27 15.359 -3.452 13.417 1.00 43.14 H new ATOM 0 HA GLN A 27 15.317 -2.940 10.676 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.973 -5.574 12.162 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.423 -5.411 10.476 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.037 -4.768 12.936 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.466 -5.777 11.569 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.620 -4.930 9.904 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.006 -3.214 9.734 1.00 31.11 H new ATOM 405 N LYS A 28 12.501 -4.174 11.873 1.00 33.40 N ATOM 406 CA LYS A 28 11.089 -4.381 11.573 1.00 0.31 C ATOM 407 C LYS A 28 10.393 -3.054 11.288 1.00 73.13 C ATOM 408 O LYS A 28 9.366 -3.015 10.611 1.00 33.23 O ATOM 409 CB LYS A 28 10.398 -5.092 12.738 1.00 10.45 C ATOM 410 CG LYS A 28 10.959 -6.473 13.027 1.00 2.22 C ATOM 411 CD LYS A 28 10.690 -6.895 14.463 1.00 53.25 C ATOM 412 CE LYS A 28 11.327 -8.240 14.776 1.00 14.30 C ATOM 413 NZ LYS A 28 11.614 -8.393 16.230 1.00 1.02 N ATOM 0 H LYS A 28 12.762 -4.383 12.837 1.00 33.40 H new ATOM 0 HA LYS A 28 11.020 -5.005 10.682 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.490 -4.477 13.633 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.334 -5.180 12.519 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.515 -7.197 12.345 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.033 -6.477 12.841 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.080 -6.139 15.145 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.615 -6.952 14.631 1.00 53.25 H new ATOM 0 HE2 LYS A 28 10.663 -9.041 14.451 1.00 14.30 H new ATOM 0 HE3 LYS A 28 12.253 -8.344 14.210 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 12.603 -8.688 16.360 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 11.458 -7.485 16.712 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 10.982 -9.113 16.635 1.00 1.02 H new ATOM 427 N GLN A 29 10.960 -1.970 11.807 1.00 54.00 N ATOM 428 CA GLN A 29 10.395 -0.642 11.608 1.00 31.22 C ATOM 429 C GLN A 29 10.905 -0.021 10.312 1.00 50.15 C ATOM 430 O GLN A 29 10.219 0.786 9.685 1.00 72.44 O ATOM 431 CB GLN A 29 10.736 0.265 12.791 1.00 30.00 C ATOM 432 CG GLN A 29 9.771 0.132 13.959 1.00 61.43 C ATOM 433 CD GLN A 29 9.721 1.378 14.820 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.099 1.352 15.992 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.253 2.478 14.243 1.00 52.22 N ATOM 0 H GLN A 29 11.811 -1.986 12.369 1.00 54.00 H new ATOM 0 HA GLN A 29 9.312 -0.744 11.539 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.744 0.035 13.136 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.744 1.301 12.453 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.772 -0.082 13.578 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.066 -0.718 14.574 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.951 2.454 13.269 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.196 3.347 14.774 1.00 52.22 H new ATOM 444 N ILE A 30 12.116 -0.402 9.917 1.00 2.02 N ATOM 445 CA ILE A 30 12.719 0.116 8.696 1.00 13.22 C ATOM 446 C ILE A 30 12.607 -0.891 7.556 1.00 11.13 C ATOM 447 O ILE A 30 13.375 -0.845 6.594 1.00 22.43 O ATOM 448 CB ILE A 30 14.202 0.473 8.907 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.000 -0.777 9.283 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.342 1.541 9.981 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.775 -1.369 8.127 1.00 63.02 C ATOM 0 H ILE A 30 12.698 -1.068 10.425 1.00 2.02 H new ATOM 0 HA ILE A 30 12.170 1.020 8.433 1.00 13.22 H new ATOM 0 HB ILE A 30 14.602 0.870 7.974 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.694 -0.527 10.085 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.317 -1.530 9.675 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.396 1.783 10.119 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.801 2.437 9.676 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.929 1.170 10.919 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.317 -2.252 8.466 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.084 -1.650 7.332 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.483 -0.632 7.748 1.00 63.02 H new ATOM 463 N LEU A 31 11.645 -1.799 7.670 1.00 64.14 N ATOM 464 CA LEU A 31 11.431 -2.819 6.649 1.00 21.12 C ATOM 465 C LEU A 31 10.345 -2.386 5.667 1.00 14.43 C ATOM 466 O LEU A 31 9.460 -1.603 6.012 1.00 1.54 O ATOM 467 CB LEU A 31 11.045 -4.149 7.299 1.00 41.11 C ATOM 468 CG LEU A 31 11.666 -5.402 6.681 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.993 -6.423 7.760 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.731 -6.003 5.641 1.00 12.21 C ATOM 0 H LEU A 31 11.000 -1.850 8.459 1.00 64.14 H new ATOM 0 HA LEU A 31 12.363 -2.948 6.099 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.324 -4.111 8.352 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.960 -4.248 7.260 1.00 41.11 H new ATOM 0 HG LEU A 31 12.594 -5.118 6.185 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.434 -7.308 7.302 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.700 -5.990 8.468 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.080 -6.703 8.285 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.189 -6.894 5.211 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.786 -6.272 6.113 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.547 -5.273 4.852 1.00 12.21 H new ATOM 482 N SER A 32 10.418 -2.905 4.446 1.00 11.55 N ATOM 483 CA SER A 32 9.443 -2.571 3.415 1.00 52.24 C ATOM 484 C SER A 32 9.404 -3.648 2.335 1.00 35.45 C ATOM 485 O SER A 32 10.352 -4.413 2.171 1.00 30.51 O ATOM 486 CB SER A 32 9.776 -1.215 2.787 1.00 52.12 C ATOM 487 OG SER A 32 9.390 -1.176 1.424 1.00 54.11 O ATOM 0 H SER A 32 11.142 -3.558 4.147 1.00 11.55 H new ATOM 0 HA SER A 32 8.461 -2.515 3.884 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.267 -0.422 3.335 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.846 -1.025 2.871 1.00 52.12 H new ATOM 0 HG SER A 32 9.612 -0.299 1.046 1.00 54.11 H new ATOM 493 N GLY A 33 8.297 -3.701 1.600 1.00 1.31 N ATOM 494 CA GLY A 33 8.153 -4.687 0.545 1.00 55.30 C ATOM 495 C GLY A 33 9.153 -4.488 -0.576 1.00 2.44 C ATOM 496 O GLY A 33 9.625 -5.452 -1.178 1.00 22.34 O ATOM 0 H GLY A 33 7.497 -3.079 1.717 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.277 -5.685 0.965 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.143 -4.636 0.140 1.00 55.30 H new ATOM 500 N THR A 34 9.478 -3.229 -0.860 1.00 51.35 N ATOM 501 CA THR A 34 10.426 -2.906 -1.919 1.00 3.10 C ATOM 502 C THR A 34 11.825 -2.688 -1.356 1.00 64.01 C ATOM 503 O THR A 34 12.555 -1.800 -1.799 1.00 73.14 O ATOM 504 CB THR A 34 9.995 -1.645 -2.692 1.00 42.35 C ATOM 505 OG1 THR A 34 10.140 -0.487 -1.863 1.00 2.24 O ATOM 506 CG2 THR A 34 8.551 -1.764 -3.158 1.00 32.33 C ATOM 0 H THR A 34 9.099 -2.418 -0.371 1.00 51.35 H new ATOM 0 HA THR A 34 10.440 -3.756 -2.601 1.00 3.10 H new ATOM 0 HB THR A 34 10.637 -1.546 -3.568 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.865 0.310 -2.363 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.269 -0.862 -3.701 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.450 -2.629 -3.813 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.899 -1.886 -2.293 1.00 32.33 H new ATOM 514 N THR A 35 12.197 -3.504 -0.374 1.00 44.01 N ATOM 515 CA THR A 35 13.510 -3.400 0.250 1.00 42.43 C ATOM 516 C THR A 35 14.249 -4.733 0.202 1.00 0.31 C ATOM 517 O THR A 35 13.900 -5.673 0.916 1.00 42.14 O ATOM 518 CB THR A 35 13.400 -2.940 1.717 1.00 23.32 C ATOM 519 OG1 THR A 35 12.780 -1.651 1.780 1.00 14.23 O ATOM 520 CG2 THR A 35 14.772 -2.882 2.370 1.00 52.31 C ATOM 0 H THR A 35 11.607 -4.244 0.006 1.00 44.01 H new ATOM 0 HA THR A 35 14.071 -2.656 -0.316 1.00 42.43 H new ATOM 0 HB THR A 35 12.789 -3.663 2.257 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.991 -1.228 2.638 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.669 -2.555 3.405 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.229 -3.872 2.346 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.403 -2.178 1.828 1.00 52.31 H new ATOM 528 N ASN A 36 15.272 -4.807 -0.643 1.00 22.34 N ATOM 529 CA ASN A 36 16.059 -6.026 -0.784 1.00 3.42 C ATOM 530 C ASN A 36 16.590 -6.490 0.569 1.00 24.22 C ATOM 531 O ASN A 36 17.522 -5.901 1.118 1.00 54.35 O ATOM 532 CB ASN A 36 17.224 -5.796 -1.749 1.00 23.01 C ATOM 533 CG ASN A 36 17.861 -7.095 -2.209 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.607 -8.157 -1.641 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.692 -7.013 -3.240 1.00 21.54 N ATOM 0 H ASN A 36 15.575 -4.038 -1.240 1.00 22.34 H new ATOM 0 HA ASN A 36 15.410 -6.804 -1.186 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.868 -5.242 -2.618 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.978 -5.177 -1.263 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.151 -7.853 -3.593 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.872 -6.110 -3.679 1.00 21.54 H new ATOM 542 N LEU A 37 15.991 -7.550 1.100 1.00 42.04 N ATOM 543 CA LEU A 37 16.403 -8.095 2.390 1.00 41.12 C ATOM 544 C LEU A 37 17.801 -8.700 2.304 1.00 34.43 C ATOM 545 O LEU A 37 18.422 -9.000 3.322 1.00 41.43 O ATOM 546 CB LEU A 37 15.404 -9.155 2.860 1.00 32.32 C ATOM 547 CG LEU A 37 13.926 -8.775 2.760 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.055 -10.022 2.740 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.530 -7.864 3.911 1.00 73.30 C ATOM 0 H LEU A 37 15.219 -8.049 0.658 1.00 42.04 H new ATOM 0 HA LEU A 37 16.424 -7.279 3.112 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.566 -10.062 2.277 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.626 -9.400 3.899 1.00 32.32 H new ATOM 0 HG LEU A 37 13.772 -8.234 1.826 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.007 -9.732 2.669 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.321 -10.638 1.881 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.213 -10.591 3.656 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.475 -7.604 3.823 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.699 -8.378 4.857 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.131 -6.955 3.879 1.00 73.30 H new ATOM 561 N ALA A 38 18.290 -8.874 1.081 1.00 11.43 N ATOM 562 CA ALA A 38 19.616 -9.439 0.862 1.00 64.01 C ATOM 563 C ALA A 38 20.692 -8.363 0.949 1.00 74.52 C ATOM 564 O ALA A 38 21.720 -8.549 1.600 1.00 11.43 O ATOM 565 CB ALA A 38 19.675 -10.139 -0.488 1.00 72.25 C ATOM 0 H ALA A 38 17.788 -8.632 0.227 1.00 11.43 H new ATOM 0 HA ALA A 38 19.806 -10.171 1.647 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.671 -10.556 -0.638 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.938 -10.941 -0.514 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.459 -9.422 -1.280 1.00 72.25 H new ATOM 571 N LYS A 39 20.450 -7.236 0.288 1.00 24.43 N ATOM 572 CA LYS A 39 21.398 -6.128 0.290 1.00 74.40 C ATOM 573 C LYS A 39 21.198 -5.243 1.516 1.00 20.11 C ATOM 574 O LYS A 39 22.146 -4.954 2.246 1.00 33.41 O ATOM 575 CB LYS A 39 21.243 -5.294 -0.984 1.00 32.01 C ATOM 576 CG LYS A 39 22.528 -4.614 -1.425 1.00 13.31 C ATOM 577 CD LYS A 39 22.506 -4.290 -2.909 1.00 0.14 C ATOM 578 CE LYS A 39 23.035 -5.449 -3.739 1.00 0.24 C ATOM 579 NZ LYS A 39 21.959 -6.418 -4.089 1.00 32.20 N ATOM 0 H LYS A 39 19.604 -7.066 -0.257 1.00 24.43 H new ATOM 0 HA LYS A 39 22.405 -6.545 0.324 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.888 -5.938 -1.789 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.478 -4.535 -0.821 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.670 -3.697 -0.853 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.377 -5.261 -1.205 1.00 13.31 H new ATOM 0 HD2 LYS A 39 21.487 -4.056 -3.217 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.108 -3.401 -3.098 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.488 -5.064 -4.653 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.821 -5.963 -3.185 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 22.205 -6.905 -4.975 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 21.860 -7.117 -3.326 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 21.060 -5.909 -4.212 1.00 32.20 H new ATOM 593 N ASP A 40 19.958 -4.819 1.738 1.00 63.34 N ATOM 594 CA ASP A 40 19.634 -3.970 2.879 1.00 12.34 C ATOM 595 C ASP A 40 20.182 -4.564 4.172 1.00 41.35 C ATOM 596 O ASP A 40 21.039 -3.970 4.826 1.00 11.14 O ATOM 597 CB ASP A 40 18.119 -3.785 2.989 1.00 60.32 C ATOM 598 CG ASP A 40 17.743 -2.515 3.727 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.631 -1.459 3.071 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.562 -2.578 4.961 1.00 22.23 O ATOM 0 H ASP A 40 19.162 -5.049 1.144 1.00 63.34 H new ATOM 0 HA ASP A 40 20.101 -2.998 2.722 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.685 -3.763 1.989 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.688 -4.643 3.505 1.00 60.32 H new ATOM 605 N PHE A 41 19.680 -5.739 4.537 1.00 51.23 N ATOM 606 CA PHE A 41 20.117 -6.412 5.754 1.00 55.34 C ATOM 607 C PHE A 41 21.459 -7.107 5.540 1.00 13.42 C ATOM 608 O PHE A 41 22.023 -7.689 6.464 1.00 4.32 O ATOM 609 CB PHE A 41 19.069 -7.432 6.204 1.00 32.53 C ATOM 610 CG PHE A 41 17.781 -6.806 6.656 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.785 -5.761 7.566 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.565 -7.263 6.172 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.601 -5.185 7.986 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.378 -6.690 6.588 1.00 63.51 C ATOM 615 CZ PHE A 41 15.396 -5.649 7.495 1.00 32.44 C ATOM 0 H PHE A 41 18.970 -6.245 4.007 1.00 51.23 H new ATOM 0 HA PHE A 41 20.237 -5.658 6.532 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.862 -8.116 5.381 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.480 -8.028 7.019 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.724 -5.392 7.951 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.545 -8.076 5.462 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.618 -4.373 8.698 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.437 -7.056 6.204 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.470 -5.198 7.820 1.00 32.44 H new ATOM 625 N ASN A 42 21.962 -7.041 4.311 1.00 62.01 N ATOM 626 CA ASN A 42 23.237 -7.665 3.972 1.00 43.41 C ATOM 627 C ASN A 42 23.258 -9.128 4.404 1.00 32.20 C ATOM 628 O ASN A 42 24.227 -9.595 5.006 1.00 14.03 O ATOM 629 CB ASN A 42 24.390 -6.909 4.636 1.00 74.50 C ATOM 630 CG ASN A 42 25.658 -6.947 3.806 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.526 -7.794 4.016 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.773 -6.023 2.858 1.00 71.31 N ATOM 0 H ASN A 42 21.507 -6.562 3.534 1.00 62.01 H new ATOM 0 HA ASN A 42 23.358 -7.622 2.890 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.096 -5.872 4.798 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.588 -7.341 5.617 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.606 -5.997 2.270 1.00 71.31 H new ATOM 0 HD22 ASN A 42 25.028 -5.340 2.719 1.00 71.31 H new ATOM 639 N LEU A 43 22.184 -9.847 4.094 1.00 0.14 N ATOM 640 CA LEU A 43 22.080 -11.257 4.449 1.00 4.12 C ATOM 641 C LEU A 43 23.228 -12.058 3.843 1.00 55.50 C ATOM 642 O LEU A 43 23.805 -11.664 2.830 1.00 12.51 O ATOM 643 CB LEU A 43 20.741 -11.825 3.973 1.00 2.23 C ATOM 644 CG LEU A 43 19.526 -11.497 4.841 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.256 -12.049 4.213 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.711 -12.048 6.247 1.00 61.35 C ATOM 0 H LEU A 43 21.374 -9.476 3.598 1.00 0.14 H new ATOM 0 HA LEU A 43 22.138 -11.338 5.534 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.551 -11.458 2.964 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.832 -12.909 3.906 1.00 2.23 H new ATOM 0 HG LEU A 43 19.432 -10.413 4.906 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.402 -11.806 4.845 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.115 -11.606 3.227 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.339 -13.132 4.116 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.837 -11.805 6.851 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.831 -13.130 6.201 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.598 -11.604 6.698 1.00 61.35 H new ATOM 658 N ASP A 44 23.551 -13.183 4.469 1.00 13.11 N ATOM 659 CA ASP A 44 24.629 -14.043 3.991 1.00 72.53 C ATOM 660 C ASP A 44 24.091 -15.117 3.052 1.00 75.24 C ATOM 661 O ASP A 44 22.911 -15.462 3.099 1.00 40.44 O ATOM 662 CB ASP A 44 25.353 -14.694 5.170 1.00 51.15 C ATOM 663 CG ASP A 44 26.775 -14.191 5.327 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.028 -13.012 4.998 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.635 -14.976 5.777 1.00 63.34 O ATOM 0 H ASP A 44 23.082 -13.522 5.309 1.00 13.11 H new ATOM 0 HA ASP A 44 25.336 -13.424 3.439 1.00 72.53 H new ATOM 0 HB2 ASP A 44 24.798 -14.497 6.087 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.367 -15.775 5.032 1.00 51.15 H new ATOM 670 N SER A 45 24.965 -15.642 2.199 1.00 65.32 N ATOM 671 CA SER A 45 24.577 -16.675 1.245 1.00 60.12 C ATOM 672 C SER A 45 23.928 -17.856 1.958 1.00 31.24 C ATOM 673 O SER A 45 23.117 -18.579 1.377 1.00 40.22 O ATOM 674 CB SER A 45 25.795 -17.150 0.451 1.00 63.42 C ATOM 675 OG SER A 45 25.404 -17.774 -0.759 1.00 12.42 O ATOM 0 H SER A 45 25.947 -15.369 2.149 1.00 65.32 H new ATOM 0 HA SER A 45 23.850 -16.244 0.557 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.444 -16.302 0.233 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.375 -17.849 1.053 1.00 63.42 H new ATOM 0 HG SER A 45 26.201 -18.067 -1.248 1.00 12.42 H new ATOM 681 N LEU A 46 24.289 -18.048 3.222 1.00 71.33 N ATOM 682 CA LEU A 46 23.743 -19.142 4.017 1.00 25.25 C ATOM 683 C LEU A 46 22.292 -18.867 4.398 1.00 62.14 C ATOM 684 O LEU A 46 21.422 -19.722 4.229 1.00 62.33 O ATOM 685 CB LEU A 46 24.582 -19.351 5.279 1.00 13.24 C ATOM 686 CG LEU A 46 26.050 -19.715 5.056 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.884 -19.340 6.270 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.192 -21.198 4.746 1.00 75.23 C ATOM 0 H LEU A 46 24.958 -17.460 3.719 1.00 71.33 H new ATOM 0 HA LEU A 46 23.776 -20.048 3.412 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.541 -18.438 5.874 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.119 -20.139 5.873 1.00 13.24 H new ATOM 0 HG LEU A 46 26.418 -19.149 4.200 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.926 -19.607 6.092 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.809 -18.267 6.445 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.516 -19.877 7.144 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.244 -21.438 4.590 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.806 -21.783 5.581 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.628 -21.437 3.844 1.00 75.23 H new ATOM 700 N ASP A 47 22.037 -17.668 4.910 1.00 2.12 N ATOM 701 CA ASP A 47 20.690 -17.278 5.311 1.00 55.22 C ATOM 702 C ASP A 47 19.723 -17.380 4.136 1.00 62.23 C ATOM 703 O ASP A 47 18.645 -17.965 4.254 1.00 64.30 O ATOM 704 CB ASP A 47 20.693 -15.852 5.865 1.00 35.55 C ATOM 705 CG ASP A 47 20.205 -15.786 7.298 1.00 1.24 C ATOM 706 OD1 ASP A 47 18.981 -15.897 7.514 1.00 73.34 O ATOM 707 OD2 ASP A 47 21.049 -15.624 8.205 1.00 22.24 O ATOM 0 H ASP A 47 22.745 -16.949 5.057 1.00 2.12 H new ATOM 0 HA ASP A 47 20.357 -17.961 6.092 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.703 -15.446 5.809 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.061 -15.221 5.240 1.00 35.55 H new ATOM 712 N PHE A 48 20.112 -16.805 3.003 1.00 64.30 N ATOM 713 CA PHE A 48 19.279 -16.829 1.807 1.00 64.44 C ATOM 714 C PHE A 48 18.842 -18.253 1.477 1.00 11.41 C ATOM 715 O PHE A 48 17.664 -18.512 1.229 1.00 74.22 O ATOM 716 CB PHE A 48 20.034 -16.227 0.621 1.00 22.22 C ATOM 717 CG PHE A 48 19.134 -15.743 -0.480 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.468 -14.533 -0.367 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.953 -16.498 -1.627 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.640 -14.085 -1.379 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.126 -16.055 -2.642 1.00 10.41 C ATOM 722 CZ PHE A 48 17.468 -14.847 -2.517 1.00 43.02 C ATOM 0 H PHE A 48 21.000 -16.316 2.888 1.00 64.30 H new ATOM 0 HA PHE A 48 18.389 -16.231 2.003 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.643 -15.395 0.973 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.717 -16.975 0.218 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.597 -13.933 0.522 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.464 -17.444 -1.729 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.128 -13.139 -1.279 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.994 -16.653 -3.532 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.820 -14.499 -3.308 1.00 43.02 H new ATOM 732 N VAL A 49 19.800 -19.174 1.477 1.00 31.14 N ATOM 733 CA VAL A 49 19.516 -20.573 1.177 1.00 4.02 C ATOM 734 C VAL A 49 18.412 -21.114 2.079 1.00 75.11 C ATOM 735 O VAL A 49 17.427 -21.679 1.602 1.00 13.45 O ATOM 736 CB VAL A 49 20.772 -21.448 1.340 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.435 -22.914 1.112 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.868 -20.990 0.390 1.00 40.22 C ATOM 0 H VAL A 49 20.780 -18.977 1.681 1.00 31.14 H new ATOM 0 HA VAL A 49 19.187 -20.614 0.139 1.00 4.02 H new ATOM 0 HB VAL A 49 21.139 -21.339 2.360 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.335 -23.517 1.231 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.686 -23.232 1.837 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.042 -23.044 0.104 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.748 -21.620 0.519 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.514 -21.067 -0.638 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.128 -19.954 0.607 1.00 40.22 H new ATOM 748 N ASP A 50 18.582 -20.938 3.384 1.00 22.50 N ATOM 749 CA ASP A 50 17.600 -21.406 4.354 1.00 13.12 C ATOM 750 C ASP A 50 16.254 -20.718 4.142 1.00 71.13 C ATOM 751 O ASP A 50 15.201 -21.292 4.419 1.00 54.43 O ATOM 752 CB ASP A 50 18.096 -21.154 5.779 1.00 0.42 C ATOM 753 CG ASP A 50 18.993 -22.267 6.284 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.458 -23.077 5.456 1.00 60.22 O ATOM 755 OD2 ASP A 50 19.231 -22.327 7.509 1.00 24.13 O ATOM 0 H ASP A 50 19.392 -20.474 3.795 1.00 22.50 H new ATOM 0 HA ASP A 50 17.467 -22.478 4.209 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.640 -20.210 5.810 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.240 -21.050 6.446 1.00 0.42 H new ATOM 760 N LEU A 51 16.299 -19.484 3.651 1.00 21.14 N ATOM 761 CA LEU A 51 15.083 -18.717 3.402 1.00 73.32 C ATOM 762 C LEU A 51 14.282 -19.321 2.254 1.00 12.04 C ATOM 763 O LEU A 51 13.120 -19.691 2.423 1.00 41.05 O ATOM 764 CB LEU A 51 15.432 -17.261 3.085 1.00 42.44 C ATOM 765 CG LEU A 51 15.369 -16.284 4.259 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.323 -15.120 4.038 1.00 12.25 C ATOM 767 CD2 LEU A 51 13.946 -15.779 4.456 1.00 62.45 C ATOM 0 H LEU A 51 17.163 -18.994 3.418 1.00 21.14 H new ATOM 0 HA LEU A 51 14.471 -18.751 4.303 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.439 -17.232 2.668 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.755 -16.907 2.307 1.00 42.44 H new ATOM 0 HG LEU A 51 15.676 -16.811 5.162 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.264 -14.435 4.884 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.342 -15.497 3.947 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.048 -14.593 3.125 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.919 -15.085 5.296 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.613 -15.269 3.552 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.286 -16.622 4.661 1.00 62.45 H new ATOM 779 N ILE A 52 14.912 -19.421 1.088 1.00 42.41 N ATOM 780 CA ILE A 52 14.258 -19.984 -0.086 1.00 64.52 C ATOM 781 C ILE A 52 13.803 -21.416 0.171 1.00 62.04 C ATOM 782 O ILE A 52 12.733 -21.828 -0.277 1.00 73.21 O ATOM 783 CB ILE A 52 15.191 -19.968 -1.312 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.507 -20.680 -0.989 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.453 -18.537 -1.759 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.522 -20.611 -2.107 1.00 45.42 C ATOM 0 H ILE A 52 15.874 -19.120 0.932 1.00 42.41 H new ATOM 0 HA ILE A 52 13.388 -19.360 -0.291 1.00 64.52 H new ATOM 0 HB ILE A 52 14.703 -20.500 -2.128 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.938 -20.239 -0.090 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.299 -21.726 -0.762 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.114 -18.542 -2.626 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.509 -18.060 -2.024 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.924 -17.983 -0.947 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.429 -21.136 -1.808 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.110 -21.078 -3.002 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.760 -19.569 -2.319 1.00 45.42 H new ATOM 798 N MET A 53 14.620 -22.169 0.899 1.00 51.11 N ATOM 799 CA MET A 53 14.299 -23.555 1.220 1.00 32.40 C ATOM 800 C MET A 53 13.118 -23.630 2.184 1.00 13.42 C ATOM 801 O MET A 53 12.242 -24.484 2.041 1.00 74.24 O ATOM 802 CB MET A 53 15.514 -24.255 1.830 1.00 44.13 C ATOM 803 CG MET A 53 16.597 -24.586 0.816 1.00 25.10 C ATOM 804 SD MET A 53 17.264 -26.247 1.028 1.00 72.30 S ATOM 805 CE MET A 53 15.802 -27.239 0.732 1.00 3.12 C ATOM 0 H MET A 53 15.509 -21.843 1.278 1.00 51.11 H new ATOM 0 HA MET A 53 14.024 -24.061 0.295 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.938 -23.619 2.607 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.188 -25.175 2.314 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.189 -24.488 -0.190 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.405 -23.860 0.904 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.097 -28.219 0.356 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.249 -27.359 1.664 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.169 -26.743 -0.004 1.00 3.12 H new ATOM 815 N SER A 54 13.102 -22.733 3.164 1.00 2.33 N ATOM 816 CA SER A 54 12.031 -22.701 4.153 1.00 62.54 C ATOM 817 C SER A 54 10.684 -22.435 3.487 1.00 44.30 C ATOM 818 O SER A 54 9.726 -23.187 3.674 1.00 20.01 O ATOM 819 CB SER A 54 12.313 -21.628 5.207 1.00 71.54 C ATOM 820 OG SER A 54 11.135 -21.291 5.919 1.00 73.12 O ATOM 0 H SER A 54 13.818 -22.019 3.295 1.00 2.33 H new ATOM 0 HA SER A 54 11.990 -23.676 4.639 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.072 -21.987 5.902 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.718 -20.738 4.725 1.00 71.54 H new ATOM 0 HG SER A 54 11.157 -20.341 6.157 1.00 73.12 H new ATOM 826 N LEU A 55 10.618 -21.361 2.708 1.00 14.25 N ATOM 827 CA LEU A 55 9.389 -20.993 2.013 1.00 10.24 C ATOM 828 C LEU A 55 9.016 -22.046 0.975 1.00 75.25 C ATOM 829 O LEU A 55 7.840 -22.359 0.790 1.00 71.11 O ATOM 830 CB LEU A 55 9.550 -19.629 1.340 1.00 41.14 C ATOM 831 CG LEU A 55 9.134 -18.417 2.173 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.603 -17.129 1.512 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.625 -18.397 2.371 1.00 42.13 C ATOM 0 H LEU A 55 11.401 -20.729 2.542 1.00 14.25 H new ATOM 0 HA LEU A 55 8.587 -20.935 2.748 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.595 -19.508 1.055 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.967 -19.629 0.419 1.00 41.14 H new ATOM 0 HG LEU A 55 9.608 -18.494 3.152 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.298 -16.277 2.119 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.689 -17.141 1.423 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.158 -17.046 0.520 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.348 -17.527 2.966 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.131 -18.345 1.401 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.314 -19.305 2.888 1.00 42.13 H new ATOM 845 N GLU A 56 10.025 -22.589 0.301 1.00 54.04 N ATOM 846 CA GLU A 56 9.802 -23.607 -0.719 1.00 2.32 C ATOM 847 C GLU A 56 9.056 -24.805 -0.137 1.00 62.44 C ATOM 848 O GLU A 56 8.037 -25.235 -0.677 1.00 54.25 O ATOM 849 CB GLU A 56 11.135 -24.065 -1.315 1.00 1.43 C ATOM 850 CG GLU A 56 10.987 -25.116 -2.402 1.00 42.31 C ATOM 851 CD GLU A 56 12.280 -25.860 -2.674 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.329 -25.441 -2.141 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.243 -26.862 -3.419 1.00 62.11 O ATOM 0 H GLU A 56 11.004 -22.341 0.443 1.00 54.04 H new ATOM 0 HA GLU A 56 9.191 -23.167 -1.507 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.656 -23.200 -1.726 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.761 -24.465 -0.518 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.216 -25.829 -2.110 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.647 -24.638 -3.321 1.00 42.31 H new ATOM 860 N GLU A 57 9.571 -25.337 0.966 1.00 54.50 N ATOM 861 CA GLU A 57 8.954 -26.485 1.620 1.00 24.33 C ATOM 862 C GLU A 57 7.649 -26.086 2.304 1.00 63.24 C ATOM 863 O GLU A 57 6.725 -26.891 2.420 1.00 51.32 O ATOM 864 CB GLU A 57 9.914 -27.094 2.645 1.00 70.42 C ATOM 865 CG GLU A 57 10.142 -26.214 3.862 1.00 45.51 C ATOM 866 CD GLU A 57 10.964 -26.904 4.934 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.791 -28.127 5.118 1.00 54.44 O ATOM 868 OE2 GLU A 57 11.779 -26.222 5.589 1.00 54.52 O ATOM 0 H GLU A 57 10.414 -24.992 1.426 1.00 54.50 H new ATOM 0 HA GLU A 57 8.731 -27.229 0.855 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.521 -28.057 2.972 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.872 -27.288 2.163 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.648 -25.299 3.554 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.179 -25.921 4.280 1.00 45.51 H new ATOM 875 N ARG A 58 7.584 -24.838 2.755 1.00 53.32 N ATOM 876 CA ARG A 58 6.394 -24.331 3.430 1.00 13.33 C ATOM 877 C ARG A 58 5.173 -24.420 2.518 1.00 74.53 C ATOM 878 O ARG A 58 4.181 -25.067 2.855 1.00 31.54 O ATOM 879 CB ARG A 58 6.610 -22.882 3.871 1.00 54.15 C ATOM 880 CG ARG A 58 5.415 -22.281 4.592 1.00 74.42 C ATOM 881 CD ARG A 58 5.629 -22.252 6.097 1.00 52.45 C ATOM 882 NE ARG A 58 4.399 -22.537 6.830 1.00 53.44 N ATOM 883 CZ ARG A 58 4.369 -22.854 8.120 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.496 -22.926 8.814 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.210 -23.100 8.718 1.00 23.43 N ATOM 0 H ARG A 58 8.340 -24.159 2.666 1.00 53.32 H new ATOM 0 HA ARG A 58 6.215 -24.948 4.310 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.480 -22.836 4.526 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.838 -22.275 2.995 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.241 -21.268 4.229 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.521 -22.860 4.362 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.391 -22.983 6.369 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.007 -21.273 6.391 1.00 52.45 H new ATOM 0 HE ARG A 58 3.514 -22.490 6.324 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.389 -22.738 8.358 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.471 -23.170 9.804 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.341 -23.046 8.187 1.00 23.43 H new ATOM 0 HH22 ARG A 58 3.189 -23.343 9.708 1.00 23.43 H new ATOM 899 N PHE A 59 5.253 -23.767 1.364 1.00 13.35 N ATOM 900 CA PHE A 59 4.155 -23.771 0.405 1.00 45.43 C ATOM 901 C PHE A 59 4.351 -24.864 -0.642 1.00 63.14 C ATOM 902 O PHE A 59 3.647 -24.907 -1.650 1.00 53.21 O ATOM 903 CB PHE A 59 4.042 -22.408 -0.279 1.00 45.14 C ATOM 904 CG PHE A 59 3.551 -21.319 0.632 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.439 -20.603 1.418 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.202 -21.012 0.702 1.00 71.35 C ATOM 907 CE1 PHE A 59 3.990 -19.600 2.257 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.747 -20.010 1.539 1.00 62.10 C ATOM 909 CZ PHE A 59 2.643 -19.304 2.318 1.00 34.21 C ATOM 0 H PHE A 59 6.067 -23.228 1.070 1.00 13.35 H new ATOM 0 HA PHE A 59 3.232 -23.974 0.948 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.018 -22.127 -0.675 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.365 -22.492 -1.129 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.494 -20.831 1.375 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.497 -21.562 0.096 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.693 -19.048 2.864 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.693 -19.780 1.584 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.290 -18.522 2.974 1.00 34.21 H new ATOM 919 N SER A 60 5.316 -25.745 -0.396 1.00 31.03 N ATOM 920 CA SER A 60 5.609 -26.835 -1.318 1.00 23.01 C ATOM 921 C SER A 60 5.810 -26.307 -2.736 1.00 74.45 C ATOM 922 O SER A 60 5.534 -27.002 -3.714 1.00 64.52 O ATOM 923 CB SER A 60 4.478 -27.865 -1.300 1.00 35.11 C ATOM 924 OG SER A 60 3.902 -27.967 -0.010 1.00 74.33 O ATOM 0 H SER A 60 5.908 -25.725 0.434 1.00 31.03 H new ATOM 0 HA SER A 60 6.532 -27.315 -0.993 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.712 -27.582 -2.022 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.862 -28.837 -1.608 1.00 35.11 H new ATOM 0 HG SER A 60 3.181 -28.630 -0.025 1.00 74.33 H new ATOM 930 N LEU A 61 6.293 -25.075 -2.838 1.00 21.40 N ATOM 931 CA LEU A 61 6.532 -24.452 -4.136 1.00 71.22 C ATOM 932 C LEU A 61 7.792 -25.014 -4.787 1.00 54.53 C ATOM 933 O LEU A 61 8.688 -25.507 -4.102 1.00 0.43 O ATOM 934 CB LEU A 61 6.658 -22.936 -3.980 1.00 74.25 C ATOM 935 CG LEU A 61 6.953 -22.151 -5.260 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.838 -22.348 -6.275 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.139 -20.673 -4.949 1.00 62.50 C ATOM 0 H LEU A 61 6.527 -24.487 -2.038 1.00 21.40 H new ATOM 0 HA LEU A 61 5.682 -24.676 -4.781 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.731 -22.557 -3.551 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.450 -22.730 -3.260 1.00 74.25 H new ATOM 0 HG LEU A 61 7.880 -22.530 -5.691 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.065 -21.783 -7.179 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.753 -23.406 -6.521 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.896 -21.996 -5.854 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.348 -20.131 -5.871 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.230 -20.280 -4.495 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.973 -20.549 -4.258 1.00 62.50 H new ATOM 949 N GLU A 62 7.853 -24.934 -6.112 1.00 64.11 N ATOM 950 CA GLU A 62 9.005 -25.434 -6.854 1.00 40.54 C ATOM 951 C GLU A 62 9.891 -24.283 -7.323 1.00 32.21 C ATOM 952 O GLU A 62 9.653 -23.693 -8.377 1.00 65.30 O ATOM 953 CB GLU A 62 8.546 -26.261 -8.057 1.00 3.23 C ATOM 954 CG GLU A 62 7.549 -27.352 -7.700 1.00 44.02 C ATOM 955 CD GLU A 62 8.073 -28.292 -6.631 1.00 2.22 C ATOM 956 OE1 GLU A 62 9.281 -28.606 -6.658 1.00 33.24 O ATOM 957 OE2 GLU A 62 7.274 -28.713 -5.768 1.00 32.41 O ATOM 0 H GLU A 62 7.120 -24.528 -6.693 1.00 64.11 H new ATOM 0 HA GLU A 62 9.587 -26.070 -6.186 1.00 40.54 H new ATOM 0 HB2 GLU A 62 8.096 -25.596 -8.794 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.417 -26.716 -8.528 1.00 3.23 H new ATOM 0 HG2 GLU A 62 6.623 -26.894 -7.354 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.306 -27.925 -8.595 1.00 44.02 H new ATOM 964 N ILE A 63 10.914 -23.972 -6.533 1.00 12.34 N ATOM 965 CA ILE A 63 11.835 -22.893 -6.867 1.00 13.42 C ATOM 966 C ILE A 63 13.124 -23.440 -7.473 1.00 50.35 C ATOM 967 O ILE A 63 13.622 -24.486 -7.058 1.00 1.03 O ATOM 968 CB ILE A 63 12.182 -22.045 -5.629 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.905 -21.527 -4.965 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.091 -20.889 -6.017 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.142 -20.896 -3.611 1.00 31.30 C ATOM 0 H ILE A 63 11.125 -24.452 -5.658 1.00 12.34 H new ATOM 0 HA ILE A 63 11.331 -22.262 -7.599 1.00 13.42 H new ATOM 0 HB ILE A 63 12.712 -22.673 -4.913 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.435 -20.794 -5.621 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.202 -22.353 -4.854 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.327 -20.299 -5.132 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.012 -21.280 -6.449 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.586 -20.259 -6.749 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.193 -20.551 -3.199 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.583 -21.632 -2.939 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.820 -20.049 -3.718 1.00 31.30 H new ATOM 983 N SER A 64 13.659 -22.722 -8.455 1.00 62.12 N ATOM 984 CA SER A 64 14.889 -23.135 -9.120 1.00 24.42 C ATOM 985 C SER A 64 16.028 -22.170 -8.805 1.00 43.13 C ATOM 986 O SER A 64 15.886 -21.276 -7.971 1.00 51.43 O ATOM 987 CB SER A 64 14.676 -23.214 -10.633 1.00 11.30 C ATOM 988 OG SER A 64 13.458 -23.870 -10.942 1.00 62.42 O ATOM 0 H SER A 64 13.260 -21.852 -8.808 1.00 62.12 H new ATOM 0 HA SER A 64 15.159 -24.123 -8.747 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.669 -22.209 -11.056 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.507 -23.748 -11.093 1.00 11.30 H new ATOM 0 HG SER A 64 12.727 -23.217 -10.948 1.00 62.42 H new ATOM 994 N ASP A 65 17.157 -22.357 -9.481 1.00 62.34 N ATOM 995 CA ASP A 65 18.321 -21.502 -9.274 1.00 23.42 C ATOM 996 C ASP A 65 18.154 -20.173 -10.004 1.00 74.13 C ATOM 997 O ASP A 65 18.487 -19.115 -9.469 1.00 54.05 O ATOM 998 CB ASP A 65 19.590 -22.207 -9.758 1.00 52.11 C ATOM 999 CG ASP A 65 20.850 -21.448 -9.389 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.735 -20.387 -8.741 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.949 -21.916 -9.748 1.00 71.50 O ATOM 0 H ASP A 65 17.291 -23.092 -10.176 1.00 62.34 H new ATOM 0 HA ASP A 65 18.410 -21.302 -8.206 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.633 -23.208 -9.328 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.545 -22.327 -10.840 1.00 52.11 H new ATOM 1006 N GLU A 66 17.638 -20.235 -11.227 1.00 21.54 N ATOM 1007 CA GLU A 66 17.430 -19.035 -12.030 1.00 3.53 C ATOM 1008 C GLU A 66 16.223 -18.247 -11.528 1.00 44.45 C ATOM 1009 O GLU A 66 16.183 -17.021 -11.629 1.00 51.24 O ATOM 1010 CB GLU A 66 17.233 -19.407 -13.501 1.00 13.04 C ATOM 1011 CG GLU A 66 18.492 -19.255 -14.339 1.00 65.22 C ATOM 1012 CD GLU A 66 18.207 -19.278 -15.829 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.270 -19.993 -16.242 1.00 23.41 O ATOM 1014 OE2 GLU A 66 18.920 -18.581 -16.580 1.00 75.31 O ATOM 0 H GLU A 66 17.356 -21.102 -11.684 1.00 21.54 H new ATOM 0 HA GLU A 66 18.317 -18.408 -11.936 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.887 -20.439 -13.563 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.447 -18.781 -13.924 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.985 -18.317 -14.081 1.00 65.22 H new ATOM 0 HG3 GLU A 66 19.187 -20.058 -14.093 1.00 65.22 H new ATOM 1021 N ASP A 67 15.242 -18.961 -10.986 1.00 50.34 N ATOM 1022 CA ASP A 67 14.035 -18.330 -10.467 1.00 4.40 C ATOM 1023 C ASP A 67 14.369 -17.363 -9.337 1.00 63.04 C ATOM 1024 O ASP A 67 13.866 -16.240 -9.298 1.00 63.01 O ATOM 1025 CB ASP A 67 13.051 -19.392 -9.972 1.00 31.35 C ATOM 1026 CG ASP A 67 12.612 -20.335 -11.075 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.843 -20.010 -12.258 1.00 23.01 O ATOM 1028 OD2 ASP A 67 12.038 -21.397 -10.754 1.00 3.12 O ATOM 0 H ASP A 67 15.260 -19.977 -10.895 1.00 50.34 H new ATOM 0 HA ASP A 67 13.573 -17.767 -11.278 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.514 -19.967 -9.170 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.175 -18.902 -9.548 1.00 31.35 H new ATOM 1033 N ALA A 68 15.220 -17.806 -8.417 1.00 50.52 N ATOM 1034 CA ALA A 68 15.623 -16.978 -7.287 1.00 14.12 C ATOM 1035 C ALA A 68 16.520 -15.831 -7.738 1.00 75.14 C ATOM 1036 O ALA A 68 16.621 -14.808 -7.062 1.00 20.01 O ATOM 1037 CB ALA A 68 16.334 -17.824 -6.241 1.00 45.43 C ATOM 0 H ALA A 68 15.644 -18.734 -8.432 1.00 50.52 H new ATOM 0 HA ALA A 68 14.724 -16.549 -6.844 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.630 -17.193 -5.403 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.662 -18.606 -5.888 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.220 -18.279 -6.683 1.00 45.43 H new ATOM 1043 N GLN A 69 17.168 -16.007 -8.885 1.00 33.43 N ATOM 1044 CA GLN A 69 18.056 -14.986 -9.425 1.00 50.50 C ATOM 1045 C GLN A 69 17.297 -13.690 -9.694 1.00 42.43 C ATOM 1046 O GLN A 69 17.895 -12.620 -9.809 1.00 20.02 O ATOM 1047 CB GLN A 69 18.715 -15.481 -10.714 1.00 42.55 C ATOM 1048 CG GLN A 69 20.226 -15.614 -10.613 1.00 42.41 C ATOM 1049 CD GLN A 69 20.860 -16.069 -11.913 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.750 -15.397 -12.939 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.528 -17.216 -11.877 1.00 70.11 N ATOM 0 H GLN A 69 17.094 -16.848 -9.458 1.00 33.43 H new ATOM 0 HA GLN A 69 18.830 -14.786 -8.684 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.291 -16.449 -10.981 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.473 -14.793 -11.524 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.653 -14.654 -10.321 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.472 -16.325 -9.825 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.594 -17.741 -11.005 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.975 -17.572 -12.722 1.00 70.11 H new ATOM 1060 N LYS A 70 15.977 -13.794 -9.794 1.00 74.45 N ATOM 1061 CA LYS A 70 15.134 -12.632 -10.049 1.00 1.53 C ATOM 1062 C LYS A 70 14.284 -12.299 -8.826 1.00 1.43 C ATOM 1063 O LYS A 70 13.379 -11.465 -8.896 1.00 51.12 O ATOM 1064 CB LYS A 70 14.231 -12.885 -11.258 1.00 34.22 C ATOM 1065 CG LYS A 70 13.239 -14.017 -11.050 1.00 63.44 C ATOM 1066 CD LYS A 70 11.996 -13.833 -11.902 1.00 33.11 C ATOM 1067 CE LYS A 70 12.206 -14.357 -13.315 1.00 71.42 C ATOM 1068 NZ LYS A 70 12.122 -15.842 -13.374 1.00 44.31 N ATOM 0 H LYS A 70 15.467 -14.672 -9.702 1.00 74.45 H new ATOM 0 HA LYS A 70 15.783 -11.783 -10.261 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.684 -11.971 -11.490 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.853 -13.112 -12.124 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.713 -14.967 -11.297 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.956 -14.066 -9.998 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.157 -14.354 -11.441 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.733 -12.776 -11.940 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.457 -13.924 -13.978 1.00 71.42 H new ATOM 0 HE3 LYS A 70 13.180 -14.034 -13.681 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 12.152 -16.152 -14.366 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.924 -16.256 -12.858 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.231 -16.157 -12.939 1.00 44.31 H new ATOM 1082 N LEU A 71 14.581 -12.952 -7.709 1.00 13.15 N ATOM 1083 CA LEU A 71 13.844 -12.723 -6.471 1.00 10.42 C ATOM 1084 C LEU A 71 14.784 -12.282 -5.351 1.00 61.30 C ATOM 1085 O LEU A 71 15.329 -13.112 -4.624 1.00 61.23 O ATOM 1086 CB LEU A 71 13.099 -13.992 -6.055 1.00 23.55 C ATOM 1087 CG LEU A 71 12.090 -14.539 -7.066 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.361 -15.744 -6.495 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.100 -13.455 -7.470 1.00 12.53 C ATOM 0 H LEU A 71 15.327 -13.644 -7.634 1.00 13.15 H new ATOM 0 HA LEU A 71 13.121 -11.927 -6.650 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.834 -14.770 -5.848 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.575 -13.792 -5.120 1.00 23.55 H new ATOM 0 HG LEU A 71 12.632 -14.858 -7.956 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.648 -16.119 -7.229 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.082 -16.526 -6.257 1.00 21.03 H new ATOM 0 HD13 LEU A 71 10.830 -15.452 -5.589 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.389 -13.861 -8.190 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.563 -13.105 -6.588 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.638 -12.621 -7.922 1.00 12.53 H new ATOM 1101 N GLU A 72 14.965 -10.972 -5.220 1.00 14.33 N ATOM 1102 CA GLU A 72 15.837 -10.423 -4.188 1.00 73.52 C ATOM 1103 C GLU A 72 15.047 -9.551 -3.215 1.00 43.43 C ATOM 1104 O GLU A 72 15.387 -9.451 -2.036 1.00 73.12 O ATOM 1105 CB GLU A 72 16.964 -9.605 -4.824 1.00 41.34 C ATOM 1106 CG GLU A 72 16.469 -8.474 -5.710 1.00 21.33 C ATOM 1107 CD GLU A 72 17.568 -7.494 -6.072 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.639 -7.946 -6.530 1.00 42.31 O ATOM 1109 OE2 GLU A 72 17.359 -6.276 -5.897 1.00 52.00 O ATOM 0 H GLU A 72 14.521 -10.272 -5.814 1.00 14.33 H new ATOM 0 HA GLU A 72 16.270 -11.255 -3.633 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.590 -9.190 -4.035 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.595 -10.269 -5.415 1.00 41.34 H new ATOM 0 HG2 GLU A 72 16.044 -8.892 -6.623 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.666 -7.942 -5.199 1.00 21.33 H new ATOM 1116 N THR A 73 13.992 -8.919 -3.720 1.00 72.44 N ATOM 1117 CA THR A 73 13.154 -8.055 -2.898 1.00 4.34 C ATOM 1118 C THR A 73 11.952 -8.815 -2.349 1.00 12.00 C ATOM 1119 O THR A 73 11.547 -9.839 -2.899 1.00 42.34 O ATOM 1120 CB THR A 73 12.656 -6.834 -3.694 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.125 -7.255 -4.956 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.784 -5.839 -3.920 1.00 4.33 C ATOM 0 H THR A 73 13.698 -8.989 -4.694 1.00 72.44 H new ATOM 0 HA THR A 73 13.772 -7.711 -2.069 1.00 4.34 H new ATOM 0 HB THR A 73 11.872 -6.346 -3.115 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.809 -6.473 -5.455 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.409 -4.985 -4.484 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.167 -5.498 -2.958 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.586 -6.319 -4.480 1.00 4.33 H new ATOM 1130 N VAL A 74 11.383 -8.306 -1.260 1.00 44.25 N ATOM 1131 CA VAL A 74 10.225 -8.935 -0.638 1.00 71.10 C ATOM 1132 C VAL A 74 9.060 -9.034 -1.617 1.00 60.12 C ATOM 1133 O VAL A 74 8.519 -10.115 -1.846 1.00 22.51 O ATOM 1134 CB VAL A 74 9.767 -8.158 0.611 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.659 -8.910 1.331 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.943 -7.906 1.542 1.00 34.04 C ATOM 0 H VAL A 74 11.706 -7.460 -0.791 1.00 44.25 H new ATOM 0 HA VAL A 74 10.532 -9.938 -0.341 1.00 71.10 H new ATOM 0 HB VAL A 74 9.371 -7.193 0.293 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.348 -8.346 2.210 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.809 -9.034 0.661 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.025 -9.890 1.639 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.601 -7.356 2.419 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.370 -8.859 1.855 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.701 -7.322 1.020 1.00 34.04 H new ATOM 1146 N ASP A 75 8.681 -7.898 -2.191 1.00 22.54 N ATOM 1147 CA ASP A 75 7.580 -7.855 -3.147 1.00 40.14 C ATOM 1148 C ASP A 75 7.790 -8.874 -4.263 1.00 70.00 C ATOM 1149 O ASP A 75 6.887 -9.646 -4.591 1.00 42.53 O ATOM 1150 CB ASP A 75 7.446 -6.452 -3.742 1.00 63.23 C ATOM 1151 CG ASP A 75 6.159 -6.275 -4.524 1.00 53.41 C ATOM 1152 OD1 ASP A 75 6.005 -6.940 -5.569 1.00 23.41 O ATOM 1153 OD2 ASP A 75 5.308 -5.470 -4.092 1.00 1.32 O ATOM 0 H ASP A 75 9.119 -6.995 -2.011 1.00 22.54 H new ATOM 0 HA ASP A 75 6.662 -8.106 -2.616 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.484 -5.715 -2.940 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.295 -6.255 -4.396 1.00 63.23 H new ATOM 1158 N ASP A 76 8.985 -8.873 -4.842 1.00 53.01 N ATOM 1159 CA ASP A 76 9.314 -9.798 -5.920 1.00 32.13 C ATOM 1160 C ASP A 76 9.111 -11.243 -5.478 1.00 4.15 C ATOM 1161 O ASP A 76 8.453 -12.026 -6.164 1.00 73.03 O ATOM 1162 CB ASP A 76 10.759 -9.589 -6.378 1.00 73.52 C ATOM 1163 CG ASP A 76 10.895 -8.445 -7.362 1.00 1.45 C ATOM 1164 OD1 ASP A 76 9.864 -7.826 -7.699 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.032 -8.168 -7.795 1.00 14.20 O ATOM 0 H ASP A 76 9.743 -8.241 -4.583 1.00 53.01 H new ATOM 0 HA ASP A 76 8.644 -9.596 -6.755 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.388 -9.394 -5.509 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.127 -10.506 -6.838 1.00 73.52 H new ATOM 1170 N ILE A 77 9.680 -11.591 -4.328 1.00 33.41 N ATOM 1171 CA ILE A 77 9.562 -12.941 -3.794 1.00 42.01 C ATOM 1172 C ILE A 77 8.101 -13.313 -3.558 1.00 14.23 C ATOM 1173 O ILE A 77 7.614 -14.317 -4.078 1.00 4.43 O ATOM 1174 CB ILE A 77 10.338 -13.095 -2.474 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.820 -12.782 -2.689 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.163 -14.500 -1.916 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.494 -12.180 -1.476 1.00 0.20 C ATOM 0 H ILE A 77 10.228 -10.955 -3.748 1.00 33.41 H new ATOM 0 HA ILE A 77 9.991 -13.613 -4.538 1.00 42.01 H new ATOM 0 HB ILE A 77 9.937 -12.386 -1.750 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.340 -13.699 -2.965 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.919 -12.094 -3.528 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.718 -14.592 -0.982 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.106 -14.688 -1.730 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.540 -15.227 -2.636 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.542 -11.984 -1.702 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.999 -11.245 -1.211 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.427 -12.876 -0.640 1.00 0.20 H new ATOM 1189 N CYS A 78 7.409 -12.496 -2.773 1.00 61.25 N ATOM 1190 CA CYS A 78 6.003 -12.738 -2.468 1.00 2.14 C ATOM 1191 C CYS A 78 5.185 -12.874 -3.749 1.00 72.24 C ATOM 1192 O CYS A 78 4.295 -13.718 -3.841 1.00 42.05 O ATOM 1193 CB CYS A 78 5.443 -11.602 -1.609 1.00 33.40 C ATOM 1194 SG CYS A 78 3.862 -11.985 -0.818 1.00 42.35 S ATOM 0 H CYS A 78 7.798 -11.660 -2.336 1.00 61.25 H new ATOM 0 HA CYS A 78 5.933 -13.673 -1.912 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.171 -11.351 -0.838 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.320 -10.716 -2.232 1.00 33.40 H new ATOM 0 HG CYS A 78 3.205 -12.836 -1.550 1.00 42.35 H new ATOM 1200 N ARG A 79 5.491 -12.034 -4.733 1.00 42.12 N ATOM 1201 CA ARG A 79 4.783 -12.060 -6.007 1.00 32.51 C ATOM 1202 C ARG A 79 4.981 -13.397 -6.713 1.00 62.11 C ATOM 1203 O ARG A 79 4.027 -13.996 -7.210 1.00 54.33 O ATOM 1204 CB ARG A 79 5.265 -10.919 -6.905 1.00 34.14 C ATOM 1205 CG ARG A 79 4.302 -10.582 -8.032 1.00 33.33 C ATOM 1206 CD ARG A 79 5.034 -10.023 -9.242 1.00 43.34 C ATOM 1207 NE ARG A 79 4.227 -10.110 -10.457 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.606 -9.608 -11.627 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.773 -8.989 -11.740 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.817 -9.727 -12.688 1.00 72.00 N ATOM 0 H ARG A 79 6.224 -11.328 -4.672 1.00 42.12 H new ATOM 0 HA ARG A 79 3.720 -11.931 -5.806 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.422 -10.030 -6.295 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.231 -11.188 -7.332 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.750 -11.477 -8.320 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.569 -9.855 -7.681 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.299 -8.982 -9.057 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.966 -10.569 -9.386 1.00 43.34 H new ATOM 0 HE ARG A 79 3.324 -10.582 -10.404 1.00 64.15 H new ATOM 0 HH11 ARG A 79 6.382 -8.897 -10.927 1.00 41.13 H new ATOM 0 HH12 ARG A 79 6.061 -8.605 -12.640 1.00 41.13 H new ATOM 0 HH21 ARG A 79 2.919 -10.204 -12.605 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.109 -9.341 -13.586 1.00 72.00 H new ATOM 1224 N TYR A 80 6.226 -13.859 -6.754 1.00 65.34 N ATOM 1225 CA TYR A 80 6.550 -15.124 -7.402 1.00 50.23 C ATOM 1226 C TYR A 80 5.845 -16.288 -6.711 1.00 33.42 C ATOM 1227 O TYR A 80 5.368 -17.216 -7.364 1.00 3.40 O ATOM 1228 CB TYR A 80 8.062 -15.353 -7.393 1.00 55.12 C ATOM 1229 CG TYR A 80 8.468 -16.735 -7.852 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.537 -17.794 -6.955 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.785 -16.982 -9.183 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.908 -19.059 -7.369 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.156 -18.244 -9.606 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.217 -19.279 -8.696 1.00 53.44 C ATOM 1235 OH TYR A 80 9.587 -20.536 -9.113 1.00 12.11 O ATOM 0 H TYR A 80 7.027 -13.376 -6.346 1.00 65.34 H new ATOM 0 HA TYR A 80 6.202 -15.073 -8.434 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.537 -14.612 -8.036 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.440 -15.189 -6.384 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.296 -17.625 -5.916 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.741 -16.174 -9.898 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.956 -19.871 -6.658 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.397 -18.419 -10.644 1.00 4.04 H new ATOM 0 HH TYR A 80 10.489 -20.502 -9.494 1.00 12.11 H new ATOM 1245 N ILE A 81 5.784 -16.230 -5.385 1.00 75.45 N ATOM 1246 CA ILE A 81 5.135 -17.276 -4.603 1.00 44.21 C ATOM 1247 C ILE A 81 3.619 -17.202 -4.738 1.00 45.44 C ATOM 1248 O ILE A 81 2.937 -18.227 -4.762 1.00 63.42 O ATOM 1249 CB ILE A 81 5.513 -17.181 -3.113 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.028 -17.310 -2.940 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.790 -18.256 -2.315 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.487 -17.154 -1.507 1.00 20.45 C ATOM 0 H ILE A 81 6.176 -15.470 -4.829 1.00 75.45 H new ATOM 0 HA ILE A 81 5.486 -18.230 -4.998 1.00 44.21 H new ATOM 0 HB ILE A 81 5.205 -16.206 -2.736 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.346 -18.284 -3.311 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.521 -16.558 -3.555 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.067 -18.177 -1.264 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.713 -18.123 -2.418 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.072 -19.240 -2.691 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.571 -17.257 -1.459 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.199 -16.170 -1.138 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.022 -17.923 -0.890 1.00 20.45 H new ATOM 1264 N ALA A 82 3.096 -15.983 -4.826 1.00 24.44 N ATOM 1265 CA ALA A 82 1.660 -15.776 -4.962 1.00 74.32 C ATOM 1266 C ALA A 82 1.172 -16.201 -6.343 1.00 1.20 C ATOM 1267 O ALA A 82 0.167 -16.902 -6.467 1.00 72.43 O ATOM 1268 CB ALA A 82 1.311 -14.317 -4.703 1.00 50.42 C ATOM 0 H ALA A 82 3.646 -15.124 -4.805 1.00 24.44 H new ATOM 0 HA ALA A 82 1.156 -16.397 -4.221 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.235 -14.176 -4.808 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.616 -14.044 -3.693 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.832 -13.685 -5.423 1.00 50.42 H new ATOM 1274 N SER A 83 1.889 -15.774 -7.377 1.00 34.12 N ATOM 1275 CA SER A 83 1.525 -16.107 -8.749 1.00 43.14 C ATOM 1276 C SER A 83 1.393 -17.617 -8.924 1.00 54.13 C ATOM 1277 O SER A 83 0.653 -18.091 -9.786 1.00 22.31 O ATOM 1278 CB SER A 83 2.570 -15.559 -9.723 1.00 1.43 C ATOM 1279 OG SER A 83 2.508 -16.232 -10.968 1.00 10.43 O ATOM 0 H SER A 83 2.725 -15.197 -7.291 1.00 34.12 H new ATOM 0 HA SER A 83 0.561 -15.648 -8.965 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.407 -14.492 -9.874 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.566 -15.671 -9.294 1.00 1.43 H new ATOM 0 HG SER A 83 3.184 -15.863 -11.573 1.00 10.43 H new ATOM 1285 N LYS A 84 2.116 -18.368 -8.100 1.00 42.25 N ATOM 1286 CA LYS A 84 2.081 -19.823 -8.161 1.00 0.24 C ATOM 1287 C LYS A 84 0.816 -20.365 -7.501 1.00 65.15 C ATOM 1288 O LYS A 84 0.144 -21.238 -8.050 1.00 0.04 O ATOM 1289 CB LYS A 84 3.317 -20.413 -7.478 1.00 70.24 C ATOM 1290 CG LYS A 84 4.624 -20.016 -8.140 1.00 52.41 C ATOM 1291 CD LYS A 84 4.979 -20.953 -9.282 1.00 32.14 C ATOM 1292 CE LYS A 84 6.440 -20.816 -9.682 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.887 -21.945 -10.545 1.00 51.04 N ATOM 0 H LYS A 84 2.734 -17.991 -7.381 1.00 42.25 H new ATOM 0 HA LYS A 84 2.078 -20.117 -9.210 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.335 -20.092 -6.437 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.236 -21.500 -7.475 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.547 -18.996 -8.516 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.424 -20.023 -7.400 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.777 -21.982 -8.986 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.344 -20.738 -10.141 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.585 -19.874 -10.212 1.00 24.30 H new ATOM 0 HE3 LYS A 84 7.060 -20.776 -8.786 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.888 -21.815 -10.796 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.773 -22.842 -10.030 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.313 -21.968 -11.412 1.00 51.04 H new