USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 TYR OH : rot -129:sc= 1.22 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= 0.145 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.00384 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.601 USER MOD Set 3.1: A 16 SER OG : rot -12:sc= -0.0278 USER MOD Set 3.2: A 54 SER OG : rot -140:sc= 0.215 USER MOD Single : A 6 SER OG : rot 160:sc= -0.637 USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00129) USER MOD Single : A 12 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.047) USER MOD Single : A 14 MET CE :methyl -174:sc= -1.76 (180deg=-1.82) USER MOD Single : A 20 CYS SG : rot 150:sc= -0.366 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.449 K(o=-0.45,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.3!) USER MOD Single : A 36 ASN : amide:sc= -0.312 K(o=-0.31,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.203 (180deg=-0.925) USER MOD Single : A 60 SER OG : rot -52:sc= 0.0699 USER MOD Single : A 64 SER OG : rot 180:sc= -0.967 USER MOD Single : A 69 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.22) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.0205 (180deg=-0.627) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 78 CYS SG : rot -29:sc= -0.288 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.008 -11.825 -2.718 1.00 10.42 N ATOM 67 CA SER A 6 -0.888 -12.577 -1.831 1.00 13.32 C ATOM 68 C SER A 6 -0.629 -12.213 -0.372 1.00 1.55 C ATOM 69 O SER A 6 0.345 -12.669 0.229 1.00 70.20 O ATOM 70 CB SER A 6 -0.690 -14.080 -2.037 1.00 31.11 C ATOM 71 OG SER A 6 -1.600 -14.827 -1.249 1.00 12.30 O ATOM 0 HA SER A 6 -1.918 -12.317 -2.074 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.828 -14.327 -3.090 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.332 -14.354 -1.776 1.00 31.11 H new ATOM 0 HG SER A 6 -1.685 -15.732 -1.616 1.00 12.30 H new ATOM 77 N GLU A 7 -1.507 -11.389 0.191 1.00 25.12 N ATOM 78 CA GLU A 7 -1.373 -10.964 1.580 1.00 23.40 C ATOM 79 C GLU A 7 -1.204 -12.167 2.503 1.00 11.43 C ATOM 80 O GLU A 7 -0.428 -12.125 3.457 1.00 4.20 O ATOM 81 CB GLU A 7 -2.593 -10.146 2.006 1.00 61.41 C ATOM 82 CG GLU A 7 -3.913 -10.874 1.806 1.00 52.15 C ATOM 83 CD GLU A 7 -5.106 -9.938 1.844 1.00 32.24 C ATOM 84 OE1 GLU A 7 -5.290 -9.174 0.874 1.00 13.40 O ATOM 85 OE2 GLU A 7 -5.855 -9.971 2.843 1.00 63.30 O ATOM 0 H GLU A 7 -2.318 -11.003 -0.292 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.482 -10.341 1.659 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.491 -9.878 3.058 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.612 -9.215 1.440 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.895 -11.395 0.849 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -4.026 -11.633 2.580 1.00 52.15 H new ATOM 92 N GLU A 8 -1.938 -13.236 2.213 1.00 62.33 N ATOM 93 CA GLU A 8 -1.871 -14.450 3.018 1.00 22.01 C ATOM 94 C GLU A 8 -0.437 -14.968 3.103 1.00 45.53 C ATOM 95 O GLU A 8 0.073 -15.234 4.191 1.00 0.33 O ATOM 96 CB GLU A 8 -2.782 -15.531 2.429 1.00 5.22 C ATOM 97 CG GLU A 8 -2.830 -16.803 3.259 1.00 4.01 C ATOM 98 CD GLU A 8 -3.337 -17.994 2.470 1.00 65.32 C ATOM 99 OE1 GLU A 8 -2.766 -18.282 1.397 1.00 20.33 O ATOM 100 OE2 GLU A 8 -4.305 -18.639 2.925 1.00 10.50 O ATOM 0 H GLU A 8 -2.586 -13.286 1.427 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.212 -14.207 4.024 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.791 -15.131 2.333 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.439 -15.776 1.424 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -1.832 -17.022 3.640 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.474 -16.644 4.124 1.00 4.01 H new ATOM 107 N ILE A 9 0.204 -15.109 1.948 1.00 60.43 N ATOM 108 CA ILE A 9 1.577 -15.594 1.891 1.00 52.14 C ATOM 109 C ILE A 9 2.555 -14.535 2.390 1.00 13.42 C ATOM 110 O ILE A 9 3.589 -14.855 2.976 1.00 51.22 O ATOM 111 CB ILE A 9 1.970 -16.007 0.462 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.850 -16.830 -0.181 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.271 -16.795 0.476 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.210 -17.379 -1.543 1.00 72.45 C ATOM 0 H ILE A 9 -0.206 -14.894 1.039 1.00 60.43 H new ATOM 0 HA ILE A 9 1.630 -16.468 2.540 1.00 52.14 H new ATOM 0 HB ILE A 9 2.121 -15.105 -0.132 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.594 -17.658 0.480 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.040 -16.208 -0.273 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.535 -17.080 -0.543 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.065 -16.179 0.898 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.147 -17.692 1.083 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.371 -17.951 -1.938 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.438 -16.555 -2.219 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.082 -18.028 -1.455 1.00 72.45 H new ATOM 126 N LYS A 10 2.221 -13.271 2.154 1.00 24.45 N ATOM 127 CA LYS A 10 3.067 -12.163 2.580 1.00 53.51 C ATOM 128 C LYS A 10 3.398 -12.271 4.064 1.00 24.33 C ATOM 129 O LYS A 10 4.524 -11.997 4.481 1.00 33.51 O ATOM 130 CB LYS A 10 2.374 -10.828 2.296 1.00 74.03 C ATOM 131 CG LYS A 10 3.340 -9.674 2.088 1.00 54.41 C ATOM 132 CD LYS A 10 3.832 -9.112 3.413 1.00 65.13 C ATOM 133 CE LYS A 10 4.482 -7.748 3.232 1.00 45.24 C ATOM 134 NZ LYS A 10 3.470 -6.665 3.091 1.00 3.11 N ATOM 0 H LYS A 10 1.369 -12.988 1.669 1.00 24.45 H new ATOM 0 HA LYS A 10 3.998 -12.210 2.015 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.750 -10.933 1.408 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.709 -10.589 3.126 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.191 -10.013 1.497 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.849 -8.886 1.517 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.996 -9.029 4.107 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.549 -9.802 3.859 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.124 -7.536 4.087 1.00 45.24 H new ATOM 0 HE3 LYS A 10 5.121 -7.765 2.349 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.856 -5.905 2.496 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.610 -7.049 2.649 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 3.236 -6.284 4.030 1.00 3.11 H new ATOM 148 N ALA A 11 2.411 -12.672 4.859 1.00 50.21 N ATOM 149 CA ALA A 11 2.599 -12.821 6.297 1.00 34.33 C ATOM 150 C ALA A 11 3.502 -14.008 6.613 1.00 4.45 C ATOM 151 O ALA A 11 4.237 -13.993 7.600 1.00 53.20 O ATOM 152 CB ALA A 11 1.254 -12.978 6.991 1.00 43.42 C ATOM 0 H ALA A 11 1.472 -12.900 4.531 1.00 50.21 H new ATOM 0 HA ALA A 11 3.085 -11.920 6.670 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.409 -13.088 8.064 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.642 -12.096 6.802 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.746 -13.862 6.605 1.00 43.42 H new ATOM 158 N GLN A 12 3.441 -15.033 5.770 1.00 24.33 N ATOM 159 CA GLN A 12 4.253 -16.228 5.961 1.00 2.14 C ATOM 160 C GLN A 12 5.703 -15.971 5.567 1.00 42.14 C ATOM 161 O GLN A 12 6.629 -16.354 6.281 1.00 75.20 O ATOM 162 CB GLN A 12 3.687 -17.391 5.144 1.00 54.01 C ATOM 163 CG GLN A 12 2.486 -18.063 5.789 1.00 32.44 C ATOM 164 CD GLN A 12 2.866 -19.293 6.591 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.708 -20.422 6.128 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.370 -19.078 7.800 1.00 62.23 N ATOM 0 H GLN A 12 2.838 -15.060 4.948 1.00 24.33 H new ATOM 0 HA GLN A 12 4.225 -16.490 7.019 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.401 -17.025 4.158 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.471 -18.134 4.994 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.982 -17.350 6.442 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.773 -18.345 5.014 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.483 -18.124 8.143 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.644 -19.867 8.386 1.00 62.23 H new ATOM 175 N VAL A 13 5.893 -15.319 4.424 1.00 55.30 N ATOM 176 CA VAL A 13 7.231 -15.009 3.934 1.00 61.15 C ATOM 177 C VAL A 13 7.941 -14.028 4.859 1.00 35.34 C ATOM 178 O VAL A 13 9.130 -14.175 5.141 1.00 43.12 O ATOM 179 CB VAL A 13 7.185 -14.417 2.513 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.683 -15.452 1.518 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.312 -13.171 2.484 1.00 71.30 C ATOM 0 H VAL A 13 5.137 -14.995 3.820 1.00 55.30 H new ATOM 0 HA VAL A 13 7.785 -15.947 3.911 1.00 61.15 H new ATOM 0 HB VAL A 13 8.197 -14.132 2.224 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.658 -15.015 0.520 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.351 -16.313 1.520 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.680 -15.771 1.800 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.290 -12.765 1.473 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.299 -13.429 2.793 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.720 -12.425 3.166 1.00 71.30 H new ATOM 191 N MET A 14 7.204 -13.027 5.330 1.00 13.51 N ATOM 192 CA MET A 14 7.764 -12.022 6.226 1.00 42.15 C ATOM 193 C MET A 14 8.006 -12.606 7.614 1.00 13.12 C ATOM 194 O MET A 14 8.997 -12.281 8.269 1.00 73.12 O ATOM 195 CB MET A 14 6.827 -10.817 6.323 1.00 42.43 C ATOM 196 CG MET A 14 5.521 -11.118 7.040 1.00 3.14 C ATOM 197 SD MET A 14 5.582 -10.713 8.796 1.00 42.00 S ATOM 198 CE MET A 14 4.023 -11.394 9.355 1.00 52.44 C ATOM 0 H MET A 14 6.218 -12.890 5.106 1.00 13.51 H new ATOM 0 HA MET A 14 8.720 -11.698 5.816 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.340 -10.009 6.845 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.606 -10.458 5.318 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.715 -10.555 6.569 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.282 -12.175 6.923 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.865 -11.130 10.401 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.211 -10.988 8.751 1.00 52.44 H new ATOM 0 HE3 MET A 14 4.043 -12.479 9.254 1.00 52.44 H new ATOM 208 N GLU A 15 7.095 -13.466 8.057 1.00 31.13 N ATOM 209 CA GLU A 15 7.211 -14.093 9.368 1.00 3.51 C ATOM 210 C GLU A 15 8.393 -15.057 9.408 1.00 40.41 C ATOM 211 O GLU A 15 9.071 -15.184 10.428 1.00 50.11 O ATOM 212 CB GLU A 15 5.921 -14.838 9.719 1.00 51.42 C ATOM 213 CG GLU A 15 5.993 -15.595 11.035 1.00 64.33 C ATOM 214 CD GLU A 15 4.644 -15.706 11.717 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.968 -14.667 11.871 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.264 -16.833 12.099 1.00 12.44 O ATOM 0 H GLU A 15 6.269 -13.744 7.528 1.00 31.13 H new ATOM 0 HA GLU A 15 7.380 -13.306 10.103 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.100 -14.123 9.766 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.688 -15.540 8.918 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.388 -16.595 10.854 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.693 -15.092 11.702 1.00 64.33 H new ATOM 223 N SER A 16 8.636 -15.734 8.290 1.00 34.34 N ATOM 224 CA SER A 16 9.733 -16.690 8.196 1.00 4.21 C ATOM 225 C SER A 16 11.073 -15.969 8.089 1.00 25.30 C ATOM 226 O SER A 16 12.026 -16.295 8.797 1.00 71.45 O ATOM 227 CB SER A 16 9.537 -17.608 6.990 1.00 21.44 C ATOM 228 OG SER A 16 10.531 -18.617 6.949 1.00 73.30 O ATOM 0 H SER A 16 8.087 -15.638 7.436 1.00 34.34 H new ATOM 0 HA SER A 16 9.735 -17.293 9.104 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.550 -18.068 7.036 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.573 -17.021 6.073 1.00 21.44 H new ATOM 0 HG SER A 16 11.246 -18.398 7.582 1.00 73.30 H new ATOM 234 N VAL A 17 11.140 -14.987 7.196 1.00 40.23 N ATOM 235 CA VAL A 17 12.362 -14.218 6.995 1.00 71.33 C ATOM 236 C VAL A 17 12.818 -13.560 8.293 1.00 73.43 C ATOM 237 O VAL A 17 13.969 -13.710 8.705 1.00 75.50 O ATOM 238 CB VAL A 17 12.171 -13.130 5.922 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.388 -12.220 5.860 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.899 -13.763 4.565 1.00 64.43 C ATOM 0 H VAL A 17 10.362 -14.705 6.600 1.00 40.23 H new ATOM 0 HA VAL A 17 13.125 -14.920 6.659 1.00 71.33 H new ATOM 0 HB VAL A 17 11.308 -12.523 6.195 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.234 -11.458 5.096 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.533 -11.740 6.828 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.271 -12.809 5.612 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.766 -12.980 3.818 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.741 -14.395 4.283 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.994 -14.368 4.621 1.00 64.43 H new ATOM 250 N ILE A 18 11.909 -12.834 8.933 1.00 20.20 N ATOM 251 CA ILE A 18 12.218 -12.155 10.186 1.00 4.21 C ATOM 252 C ILE A 18 12.920 -13.093 11.161 1.00 21.34 C ATOM 253 O ILE A 18 13.952 -12.749 11.736 1.00 62.42 O ATOM 254 CB ILE A 18 10.945 -11.599 10.853 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.366 -10.452 10.021 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.251 -11.131 12.268 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.900 -10.195 10.287 1.00 14.31 C ATOM 0 H ILE A 18 10.952 -12.700 8.605 1.00 20.20 H new ATOM 0 HA ILE A 18 12.882 -11.326 9.941 1.00 4.21 H new ATOM 0 HB ILE A 18 10.203 -12.395 10.906 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.930 -9.542 10.228 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.501 -10.677 8.963 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.342 -10.741 12.727 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.623 -11.970 12.856 1.00 35.43 H new ATOM 0 HG23 ILE A 18 12.007 -10.347 12.236 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.556 -9.370 9.664 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.325 -11.091 10.052 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.760 -9.939 11.337 1.00 14.31 H new ATOM 269 N GLY A 19 12.354 -14.283 11.342 1.00 20.44 N ATOM 270 CA GLY A 19 12.942 -15.254 12.246 1.00 33.42 C ATOM 271 C GLY A 19 14.168 -15.926 11.660 1.00 43.03 C ATOM 272 O GLY A 19 15.016 -16.433 12.394 1.00 24.14 O ATOM 0 H GLY A 19 11.499 -14.591 10.879 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.214 -14.759 13.178 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.199 -16.012 12.492 1.00 33.42 H new ATOM 276 N CYS A 20 14.261 -15.930 10.335 1.00 11.52 N ATOM 277 CA CYS A 20 15.392 -16.546 9.650 1.00 1.22 C ATOM 278 C CYS A 20 16.686 -15.801 9.959 1.00 65.11 C ATOM 279 O CYS A 20 17.695 -16.410 10.318 1.00 25.20 O ATOM 280 CB CYS A 20 15.150 -16.569 8.141 1.00 12.21 C ATOM 281 SG CYS A 20 16.023 -17.894 7.273 1.00 23.42 S ATOM 0 H CYS A 20 13.567 -15.514 9.714 1.00 11.52 H new ATOM 0 HA CYS A 20 15.489 -17.570 10.010 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.081 -16.672 7.957 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.455 -15.611 7.720 1.00 12.21 H new ATOM 0 HG CYS A 20 15.337 -18.254 6.229 1.00 23.42 H new ATOM 287 N LEU A 21 16.652 -14.481 9.815 1.00 53.41 N ATOM 288 CA LEU A 21 17.822 -13.651 10.076 1.00 51.22 C ATOM 289 C LEU A 21 17.685 -12.919 11.407 1.00 15.30 C ATOM 290 O LEU A 21 18.553 -12.133 11.790 1.00 53.22 O ATOM 291 CB LEU A 21 18.022 -12.642 8.944 1.00 25.12 C ATOM 292 CG LEU A 21 16.777 -12.304 8.122 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.903 -10.917 7.510 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.555 -13.348 7.038 1.00 52.43 C ATOM 0 H LEU A 21 15.825 -13.962 9.518 1.00 53.41 H new ATOM 0 HA LEU A 21 18.693 -14.304 10.129 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.413 -11.719 9.371 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.785 -13.029 8.269 1.00 25.12 H new ATOM 0 HG LEU A 21 15.913 -12.309 8.787 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.009 -10.693 6.929 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.014 -10.178 8.303 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.776 -10.885 6.859 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.665 -13.092 6.463 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.420 -13.374 6.375 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.420 -14.327 7.498 1.00 52.43 H new ATOM 306 N LYS A 22 16.589 -13.182 12.110 1.00 1.40 N ATOM 307 CA LYS A 22 16.337 -12.552 13.400 1.00 75.54 C ATOM 308 C LYS A 22 16.470 -11.035 13.300 1.00 52.33 C ATOM 309 O LYS A 22 17.559 -10.485 13.466 1.00 32.45 O ATOM 310 CB LYS A 22 17.308 -13.090 14.453 1.00 53.14 C ATOM 311 CG LYS A 22 17.397 -14.606 14.479 1.00 11.31 C ATOM 312 CD LYS A 22 16.099 -15.233 14.959 1.00 24.50 C ATOM 313 CE LYS A 22 16.094 -15.421 16.468 1.00 14.00 C ATOM 314 NZ LYS A 22 14.723 -15.669 16.992 1.00 54.14 N ATOM 0 H LYS A 22 15.860 -13.828 11.807 1.00 1.40 H new ATOM 0 HA LYS A 22 15.317 -12.792 13.699 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.300 -12.679 14.264 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.998 -12.736 15.436 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.633 -14.975 13.481 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.214 -14.912 15.133 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.260 -14.602 14.667 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.957 -16.197 14.471 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.740 -16.258 16.732 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.510 -14.534 16.946 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 14.763 -15.792 18.024 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 14.112 -14.859 16.763 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 14.335 -16.530 16.556 1.00 54.14 H new ATOM 328 N LEU A 23 15.356 -10.365 13.030 1.00 63.12 N ATOM 329 CA LEU A 23 15.347 -8.911 12.909 1.00 10.22 C ATOM 330 C LEU A 23 14.949 -8.257 14.228 1.00 71.20 C ATOM 331 O LEU A 23 14.282 -8.871 15.060 1.00 42.11 O ATOM 332 CB LEU A 23 14.386 -8.477 11.801 1.00 24.31 C ATOM 333 CG LEU A 23 14.910 -8.605 10.370 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.194 -7.808 10.199 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.135 -10.067 10.013 1.00 71.34 C ATOM 0 H LEU A 23 14.446 -10.805 12.891 1.00 63.12 H new ATOM 0 HA LEU A 23 16.356 -8.587 12.654 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.474 -9.067 11.887 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.110 -7.437 11.974 1.00 24.31 H new ATOM 0 HG LEU A 23 14.161 -8.198 9.691 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.552 -7.911 9.175 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.001 -6.757 10.412 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.950 -8.185 10.888 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.508 -10.139 8.991 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.865 -10.500 10.697 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.194 -10.611 10.095 1.00 71.34 H new ATOM 347 N ASN A 24 15.361 -7.007 14.411 1.00 45.20 N ATOM 348 CA ASN A 24 15.045 -6.268 15.629 1.00 65.04 C ATOM 349 C ASN A 24 13.850 -5.346 15.411 1.00 22.23 C ATOM 350 O ASN A 24 13.168 -5.428 14.390 1.00 61.52 O ATOM 351 CB ASN A 24 16.257 -5.453 16.084 1.00 25.14 C ATOM 352 CG ASN A 24 17.549 -6.242 15.999 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.682 -7.305 16.606 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.511 -5.723 15.244 1.00 12.31 N ATOM 0 H ASN A 24 15.914 -6.484 13.732 1.00 45.20 H new ATOM 0 HA ASN A 24 14.788 -6.988 16.406 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.341 -4.557 15.469 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.104 -5.122 17.111 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.403 -6.208 15.150 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.357 -4.839 14.758 1.00 12.31 H new ATOM 361 N ASP A 25 13.603 -4.469 16.378 1.00 44.23 N ATOM 362 CA ASP A 25 12.491 -3.529 16.292 1.00 34.40 C ATOM 363 C ASP A 25 12.718 -2.520 15.171 1.00 23.34 C ATOM 364 O ASP A 25 11.824 -2.261 14.366 1.00 45.40 O ATOM 365 CB ASP A 25 12.310 -2.799 17.624 1.00 1.51 C ATOM 366 CG ASP A 25 12.527 -3.708 18.817 1.00 64.32 C ATOM 367 OD1 ASP A 25 13.696 -4.033 19.110 1.00 20.14 O ATOM 368 OD2 ASP A 25 11.527 -4.095 19.458 1.00 24.33 O ATOM 0 H ASP A 25 14.158 -4.389 17.230 1.00 44.23 H new ATOM 0 HA ASP A 25 11.586 -4.094 16.070 1.00 34.40 H new ATOM 0 HB2 ASP A 25 13.009 -1.964 17.675 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.306 -2.377 17.670 1.00 1.51 H new ATOM 373 N GLU A 26 13.920 -1.952 15.126 1.00 23.44 N ATOM 374 CA GLU A 26 14.263 -0.970 14.104 1.00 51.55 C ATOM 375 C GLU A 26 14.203 -1.590 12.712 1.00 41.22 C ATOM 376 O GLU A 26 13.660 -0.998 11.780 1.00 64.53 O ATOM 377 CB GLU A 26 15.659 -0.399 14.362 1.00 23.33 C ATOM 378 CG GLU A 26 15.676 0.729 15.380 1.00 11.13 C ATOM 379 CD GLU A 26 15.930 0.239 16.792 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.066 -0.197 17.074 1.00 53.41 O ATOM 381 OE2 GLU A 26 14.992 0.291 17.614 1.00 10.11 O ATOM 0 H GLU A 26 14.672 -2.155 15.785 1.00 23.44 H new ATOM 0 HA GLU A 26 13.534 -0.162 14.154 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.312 -1.200 14.709 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.073 -0.035 13.422 1.00 23.33 H new ATOM 0 HG2 GLU A 26 16.447 1.449 15.105 1.00 11.13 H new ATOM 0 HG3 GLU A 26 14.722 1.256 15.349 1.00 11.13 H new ATOM 388 N GLN A 27 14.768 -2.786 12.579 1.00 43.14 N ATOM 389 CA GLN A 27 14.782 -3.486 11.300 1.00 70.43 C ATOM 390 C GLN A 27 13.363 -3.687 10.774 1.00 74.33 C ATOM 391 O GLN A 27 13.112 -3.574 9.574 1.00 70.11 O ATOM 392 CB GLN A 27 15.482 -4.839 11.443 1.00 60.33 C ATOM 393 CG GLN A 27 16.983 -4.773 11.218 1.00 35.01 C ATOM 394 CD GLN A 27 17.617 -3.556 11.864 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.450 -3.315 13.059 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.350 -2.780 11.073 1.00 31.11 N ATOM 0 H GLN A 27 15.222 -3.290 13.341 1.00 43.14 H new ATOM 0 HA GLN A 27 15.332 -2.874 10.585 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.289 -5.235 12.440 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.047 -5.541 10.732 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.447 -5.675 11.618 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.186 -4.758 10.147 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.462 -3.017 10.087 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.801 -1.947 11.451 1.00 31.11 H new ATOM 405 N LYS A 28 12.439 -3.985 11.681 1.00 33.40 N ATOM 406 CA LYS A 28 11.045 -4.201 11.311 1.00 0.31 C ATOM 407 C LYS A 28 10.371 -2.885 10.938 1.00 73.13 C ATOM 408 O LYS A 28 9.379 -2.871 10.210 1.00 33.23 O ATOM 409 CB LYS A 28 10.287 -4.868 12.462 1.00 10.45 C ATOM 410 CG LYS A 28 10.635 -6.334 12.651 1.00 2.22 C ATOM 411 CD LYS A 28 10.299 -6.810 14.053 1.00 53.25 C ATOM 412 CE LYS A 28 8.796 -6.929 14.256 1.00 14.30 C ATOM 413 NZ LYS A 28 8.271 -8.232 13.766 1.00 1.02 N ATOM 0 H LYS A 28 12.630 -4.083 12.678 1.00 33.40 H new ATOM 0 HA LYS A 28 11.024 -4.858 10.442 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.500 -4.331 13.386 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.216 -4.778 12.281 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.092 -6.935 11.922 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.697 -6.484 12.460 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.769 -7.777 14.233 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.712 -6.114 14.783 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.563 -6.819 15.315 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.294 -6.115 13.733 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.244 -8.273 13.923 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 8.470 -8.327 12.750 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.731 -9.008 14.283 1.00 1.02 H new ATOM 427 N GLN A 29 10.917 -1.783 11.442 1.00 54.00 N ATOM 428 CA GLN A 29 10.367 -0.462 11.161 1.00 31.22 C ATOM 429 C GLN A 29 10.969 0.117 9.885 1.00 50.15 C ATOM 430 O GLN A 29 10.346 0.938 9.210 1.00 72.44 O ATOM 431 CB GLN A 29 10.628 0.483 12.335 1.00 30.00 C ATOM 432 CG GLN A 29 9.949 0.051 13.625 1.00 61.43 C ATOM 433 CD GLN A 29 8.565 0.651 13.785 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.192 1.578 13.067 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.797 0.122 14.731 1.00 52.22 N ATOM 0 H GLN A 29 11.739 -1.779 12.046 1.00 54.00 H new ATOM 0 HA GLN A 29 9.291 -0.567 11.020 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.703 0.551 12.505 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.284 1.483 12.070 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.874 -1.036 13.645 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.568 0.344 14.473 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.148 -0.646 15.303 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.856 0.484 14.886 1.00 52.22 H new ATOM 444 N ILE A 30 12.183 -0.315 9.559 1.00 2.02 N ATOM 445 CA ILE A 30 12.867 0.161 8.363 1.00 13.22 C ATOM 446 C ILE A 30 12.799 -0.872 7.244 1.00 11.13 C ATOM 447 O ILE A 30 13.630 -0.873 6.333 1.00 22.43 O ATOM 448 CB ILE A 30 14.344 0.491 8.653 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.090 -0.765 9.108 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.445 1.584 9.706 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.929 -1.397 8.020 1.00 63.02 C ATOM 0 H ILE A 30 12.713 -0.993 10.106 1.00 2.02 H new ATOM 0 HA ILE A 30 12.355 1.070 8.047 1.00 13.22 H new ATOM 0 HB ILE A 30 14.807 0.853 7.735 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.734 -0.510 9.950 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.367 -1.496 9.469 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.494 1.806 9.900 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.944 2.483 9.347 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.969 1.247 10.627 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.429 -2.282 8.414 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.288 -1.683 7.186 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.676 -0.682 7.675 1.00 63.02 H new ATOM 463 N LEU A 31 11.805 -1.750 7.315 1.00 64.14 N ATOM 464 CA LEU A 31 11.627 -2.788 6.305 1.00 21.12 C ATOM 465 C LEU A 31 10.584 -2.370 5.273 1.00 14.43 C ATOM 466 O LEU A 31 9.687 -1.581 5.566 1.00 1.54 O ATOM 467 CB LEU A 31 11.208 -4.102 6.967 1.00 41.11 C ATOM 468 CG LEU A 31 11.896 -5.365 6.445 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.083 -6.373 7.569 1.00 40.33 C ATOM 470 CD2 LEU A 31 11.094 -5.977 5.306 1.00 12.21 C ATOM 0 H LEU A 31 11.110 -1.764 8.061 1.00 64.14 H new ATOM 0 HA LEU A 31 12.579 -2.932 5.794 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.399 -4.024 8.037 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.132 -4.221 6.843 1.00 41.11 H new ATOM 0 HG LEU A 31 12.879 -5.089 6.063 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.574 -7.265 7.180 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.699 -5.933 8.353 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.111 -6.644 7.980 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.598 -6.874 4.947 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.098 -6.238 5.662 1.00 12.21 H new ATOM 0 HD23 LEU A 31 11.011 -5.257 4.492 1.00 12.21 H new ATOM 482 N SER A 32 10.709 -2.907 4.064 1.00 11.55 N ATOM 483 CA SER A 32 9.779 -2.589 2.987 1.00 52.24 C ATOM 484 C SER A 32 9.767 -3.694 1.935 1.00 35.45 C ATOM 485 O SER A 32 10.740 -4.431 1.781 1.00 30.51 O ATOM 486 CB SER A 32 10.155 -1.256 2.337 1.00 52.12 C ATOM 487 OG SER A 32 9.812 -1.245 0.962 1.00 54.11 O ATOM 0 H SER A 32 11.445 -3.564 3.806 1.00 11.55 H new ATOM 0 HA SER A 32 8.780 -2.508 3.416 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.644 -0.441 2.849 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.225 -1.082 2.450 1.00 52.12 H new ATOM 0 HG SER A 32 10.061 -0.382 0.570 1.00 54.11 H new ATOM 493 N GLY A 33 8.655 -3.804 1.214 1.00 1.31 N ATOM 494 CA GLY A 33 8.536 -4.822 0.185 1.00 55.30 C ATOM 495 C GLY A 33 9.533 -4.630 -0.939 1.00 2.44 C ATOM 496 O GLY A 33 9.987 -5.598 -1.550 1.00 22.34 O ATOM 0 H GLY A 33 7.835 -3.207 1.324 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.683 -5.805 0.632 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.525 -4.805 -0.223 1.00 55.30 H new ATOM 500 N THR A 34 9.875 -3.376 -1.217 1.00 51.35 N ATOM 501 CA THR A 34 10.823 -3.059 -2.279 1.00 3.10 C ATOM 502 C THR A 34 12.223 -2.839 -1.717 1.00 64.01 C ATOM 503 O THR A 34 12.959 -1.964 -2.178 1.00 73.14 O ATOM 504 CB THR A 34 10.392 -1.804 -3.060 1.00 42.35 C ATOM 505 OG1 THR A 34 10.539 -0.641 -2.239 1.00 2.24 O ATOM 506 CG2 THR A 34 8.949 -1.926 -3.525 1.00 32.33 C ATOM 0 H THR A 34 9.510 -2.563 -0.721 1.00 51.35 H new ATOM 0 HA THR A 34 10.836 -3.912 -2.957 1.00 3.10 H new ATOM 0 HB THR A 34 11.032 -1.710 -3.937 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.264 0.153 -2.744 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.667 -1.028 -4.074 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.848 -2.795 -4.175 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.296 -2.042 -2.660 1.00 32.33 H new ATOM 514 N THR A 35 12.589 -3.637 -0.719 1.00 44.01 N ATOM 515 CA THR A 35 13.902 -3.529 -0.094 1.00 42.43 C ATOM 516 C THR A 35 14.638 -4.863 -0.128 1.00 0.31 C ATOM 517 O THR A 35 14.303 -5.786 0.613 1.00 42.14 O ATOM 518 CB THR A 35 13.791 -3.053 1.366 1.00 23.32 C ATOM 519 OG1 THR A 35 13.174 -1.761 1.414 1.00 14.23 O ATOM 520 CG2 THR A 35 15.163 -2.988 2.019 1.00 52.31 C ATOM 0 H THR A 35 11.994 -4.366 -0.326 1.00 44.01 H new ATOM 0 HA THR A 35 14.465 -2.792 -0.666 1.00 42.43 H new ATOM 0 HB THR A 35 13.178 -3.769 1.913 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.385 -1.329 2.268 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.060 -2.649 3.050 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.619 -3.978 2.006 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.795 -2.290 1.469 1.00 52.31 H new ATOM 528 N ASN A 36 15.644 -4.957 -0.991 1.00 22.34 N ATOM 529 CA ASN A 36 16.429 -6.180 -1.120 1.00 3.42 C ATOM 530 C ASN A 36 16.977 -6.619 0.235 1.00 24.22 C ATOM 531 O ASN A 36 17.925 -6.030 0.753 1.00 54.35 O ATOM 532 CB ASN A 36 17.581 -5.969 -2.105 1.00 23.01 C ATOM 533 CG ASN A 36 18.147 -7.279 -2.619 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.816 -8.352 -2.115 1.00 42.21 O ATOM 535 ND2 ASN A 36 19.007 -7.196 -3.629 1.00 21.54 N ATOM 0 H ASN A 36 15.935 -4.202 -1.611 1.00 22.34 H new ATOM 0 HA ASN A 36 15.775 -6.965 -1.499 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.231 -5.372 -2.947 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.373 -5.400 -1.618 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.421 -8.043 -4.017 1.00 21.54 H new ATOM 0 HD22 ASN A 36 19.253 -6.285 -4.016 1.00 21.54 H new ATOM 542 N LEU A 37 16.374 -7.660 0.801 1.00 42.04 N ATOM 543 CA LEU A 37 16.802 -8.180 2.094 1.00 41.12 C ATOM 544 C LEU A 37 18.199 -8.787 2.003 1.00 34.43 C ATOM 545 O LEU A 37 18.837 -9.055 3.020 1.00 41.43 O ATOM 546 CB LEU A 37 15.810 -9.230 2.597 1.00 32.32 C ATOM 547 CG LEU A 37 14.329 -8.878 2.449 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.457 -10.045 2.887 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.993 -7.630 3.252 1.00 73.30 C ATOM 0 H LEU A 37 15.588 -8.159 0.384 1.00 42.04 H new ATOM 0 HA LEU A 37 16.832 -7.349 2.799 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.997 -10.162 2.064 1.00 32.32 H new ATOM 0 HB3 LEU A 37 16.015 -9.419 3.651 1.00 32.32 H new ATOM 0 HG LEU A 37 14.128 -8.674 1.397 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.407 -9.776 2.775 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.677 -10.916 2.269 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.662 -10.280 3.931 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.935 -7.395 3.134 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.211 -7.806 4.306 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.592 -6.794 2.892 1.00 73.30 H new ATOM 561 N ALA A 38 18.666 -8.999 0.777 1.00 11.43 N ATOM 562 CA ALA A 38 19.989 -9.570 0.553 1.00 64.01 C ATOM 563 C ALA A 38 21.076 -8.512 0.706 1.00 74.52 C ATOM 564 O ALA A 38 22.067 -8.722 1.408 1.00 11.43 O ATOM 565 CB ALA A 38 20.061 -10.207 -0.827 1.00 72.25 C ATOM 0 H ALA A 38 18.149 -8.784 -0.076 1.00 11.43 H new ATOM 0 HA ALA A 38 20.159 -10.339 1.306 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.054 -10.629 -0.981 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.315 -10.998 -0.902 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.866 -9.451 -1.587 1.00 72.25 H new ATOM 571 N LYS A 39 20.887 -7.375 0.047 1.00 24.43 N ATOM 572 CA LYS A 39 21.851 -6.283 0.109 1.00 74.40 C ATOM 573 C LYS A 39 21.601 -5.406 1.332 1.00 20.11 C ATOM 574 O LYS A 39 22.519 -5.121 2.102 1.00 33.41 O ATOM 575 CB LYS A 39 21.778 -5.436 -1.163 1.00 32.01 C ATOM 576 CG LYS A 39 23.115 -4.851 -1.582 1.00 13.31 C ATOM 577 CD LYS A 39 22.955 -3.846 -2.711 1.00 0.14 C ATOM 578 CE LYS A 39 22.943 -4.531 -4.070 1.00 0.24 C ATOM 579 NZ LYS A 39 23.096 -3.555 -5.184 1.00 32.20 N ATOM 0 H LYS A 39 20.073 -7.185 -0.538 1.00 24.43 H new ATOM 0 HA LYS A 39 22.848 -6.716 0.192 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.389 -6.049 -1.976 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.068 -4.624 -1.008 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.585 -4.366 -0.726 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.781 -5.653 -1.900 1.00 13.31 H new ATOM 0 HD2 LYS A 39 22.028 -3.289 -2.575 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.770 -3.123 -2.674 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.750 -5.263 -4.115 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.008 -5.079 -4.193 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 23.083 -4.061 -6.093 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.313 -2.872 -5.157 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.000 -3.050 -5.082 1.00 32.20 H new ATOM 593 N ASP A 40 20.354 -4.982 1.505 1.00 63.34 N ATOM 594 CA ASP A 40 19.983 -4.140 2.636 1.00 12.34 C ATOM 595 C ASP A 40 20.484 -4.738 3.947 1.00 41.35 C ATOM 596 O ASP A 40 21.334 -4.156 4.621 1.00 11.14 O ATOM 597 CB ASP A 40 18.464 -3.963 2.690 1.00 60.32 C ATOM 598 CG ASP A 40 18.055 -2.694 3.414 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.031 -1.625 2.770 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.759 -2.772 4.624 1.00 43.03 O ATOM 0 H ASP A 40 19.583 -5.208 0.876 1.00 63.34 H new ATOM 0 HA ASP A 40 20.451 -3.165 2.500 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.067 -3.943 1.675 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.018 -4.823 3.190 1.00 60.32 H new ATOM 605 N PHE A 41 19.951 -5.902 4.302 1.00 51.23 N ATOM 606 CA PHE A 41 20.344 -6.578 5.534 1.00 55.34 C ATOM 607 C PHE A 41 21.677 -7.299 5.358 1.00 13.42 C ATOM 608 O PHE A 41 22.202 -7.892 6.299 1.00 4.32 O ATOM 609 CB PHE A 41 19.264 -7.575 5.959 1.00 32.53 C ATOM 610 CG PHE A 41 17.961 -6.926 6.331 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.931 -5.854 7.209 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.766 -7.387 5.802 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.734 -5.257 7.553 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.566 -6.792 6.142 1.00 63.51 C ATOM 615 CZ PHE A 41 15.550 -5.725 7.017 1.00 32.44 C ATOM 0 H PHE A 41 19.246 -6.397 3.755 1.00 51.23 H new ATOM 0 HA PHE A 41 20.460 -5.824 6.312 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.091 -8.279 5.145 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.628 -8.153 6.808 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.854 -5.481 7.629 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.773 -8.221 5.116 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.724 -4.424 8.241 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.642 -7.162 5.723 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.614 -5.257 7.282 1.00 32.44 H new ATOM 625 N ASN A 42 22.218 -7.242 4.145 1.00 62.01 N ATOM 626 CA ASN A 42 23.489 -7.891 3.844 1.00 43.41 C ATOM 627 C ASN A 42 23.453 -9.366 4.232 1.00 32.20 C ATOM 628 O ASN A 42 24.435 -9.910 4.739 1.00 14.03 O ATOM 629 CB ASN A 42 24.631 -7.187 4.578 1.00 74.50 C ATOM 630 CG ASN A 42 25.925 -7.205 3.788 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.908 -7.822 4.199 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.931 -6.526 2.647 1.00 71.31 N ATOM 0 H ASN A 42 21.796 -6.753 3.355 1.00 62.01 H new ATOM 0 HA ASN A 42 23.658 -7.821 2.770 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.347 -6.154 4.781 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.791 -7.669 5.543 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.773 -6.502 2.073 1.00 71.31 H new ATOM 0 HD22 ASN A 42 25.093 -6.029 2.345 1.00 71.31 H new ATOM 639 N LEU A 43 22.314 -10.007 3.992 1.00 0.14 N ATOM 640 CA LEU A 43 22.150 -11.420 4.316 1.00 4.12 C ATOM 641 C LEU A 43 23.282 -12.251 3.722 1.00 55.50 C ATOM 642 O LEU A 43 23.797 -11.938 2.648 1.00 12.51 O ATOM 643 CB LEU A 43 20.803 -11.929 3.800 1.00 2.23 C ATOM 644 CG LEU A 43 19.575 -11.520 4.614 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.299 -11.959 3.910 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.643 -12.111 6.014 1.00 61.35 C ATOM 0 H LEU A 43 21.491 -9.571 3.575 1.00 0.14 H new ATOM 0 HA LEU A 43 22.179 -11.524 5.401 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.671 -11.575 2.778 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.840 -13.018 3.758 1.00 2.23 H new ATOM 0 HG LEU A 43 19.564 -10.433 4.700 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.435 -11.660 4.503 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.245 -11.489 2.928 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.302 -13.043 3.794 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.761 -11.810 6.579 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.678 -13.198 5.949 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.539 -11.749 6.519 1.00 61.35 H new ATOM 658 N ASP A 44 23.664 -13.311 4.425 1.00 13.11 N ATOM 659 CA ASP A 44 24.733 -14.190 3.965 1.00 72.53 C ATOM 660 C ASP A 44 24.195 -15.243 3.001 1.00 75.24 C ATOM 661 O ASP A 44 23.011 -15.580 3.033 1.00 40.44 O ATOM 662 CB ASP A 44 25.410 -14.870 5.156 1.00 51.15 C ATOM 663 CG ASP A 44 26.818 -15.331 4.834 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.528 -14.608 4.104 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.212 -16.417 5.312 1.00 30.42 O ATOM 0 H ASP A 44 23.249 -13.583 5.316 1.00 13.11 H new ATOM 0 HA ASP A 44 25.468 -13.582 3.437 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.441 -14.177 5.997 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.813 -15.726 5.470 1.00 51.15 H new ATOM 670 N SER A 45 25.071 -15.757 2.144 1.00 65.32 N ATOM 671 CA SER A 45 24.683 -16.767 1.168 1.00 60.12 C ATOM 672 C SER A 45 24.010 -17.955 1.852 1.00 31.24 C ATOM 673 O SER A 45 23.201 -18.657 1.246 1.00 40.22 O ATOM 674 CB SER A 45 25.906 -17.244 0.382 1.00 63.42 C ATOM 675 OG SER A 45 25.533 -17.732 -0.896 1.00 12.42 O ATOM 0 H SER A 45 26.055 -15.490 2.106 1.00 65.32 H new ATOM 0 HA SER A 45 23.970 -16.315 0.479 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.613 -16.422 0.269 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.417 -18.029 0.940 1.00 63.42 H new ATOM 0 HG SER A 45 26.332 -18.029 -1.379 1.00 12.42 H new ATOM 681 N LEU A 46 24.352 -18.171 3.118 1.00 71.33 N ATOM 682 CA LEU A 46 23.783 -19.271 3.886 1.00 25.25 C ATOM 683 C LEU A 46 22.331 -18.983 4.257 1.00 62.14 C ATOM 684 O LEU A 46 21.452 -19.821 4.059 1.00 62.33 O ATOM 685 CB LEU A 46 24.606 -19.516 5.152 1.00 13.24 C ATOM 686 CG LEU A 46 26.102 -19.755 4.944 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.834 -19.746 6.276 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.335 -21.069 4.213 1.00 75.23 C ATOM 0 H LEU A 46 25.021 -17.598 3.633 1.00 71.33 H new ATOM 0 HA LEU A 46 23.809 -20.166 3.265 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.484 -18.658 5.812 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.189 -20.379 5.671 1.00 13.24 H new ATOM 0 HG LEU A 46 26.498 -18.946 4.330 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.897 -19.918 6.108 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.695 -18.780 6.761 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.436 -20.534 6.915 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.405 -21.223 4.073 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.924 -21.890 4.800 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.843 -21.037 3.241 1.00 75.23 H new ATOM 700 N ASP A 47 22.089 -17.793 4.795 1.00 2.12 N ATOM 701 CA ASP A 47 20.744 -17.392 5.191 1.00 55.22 C ATOM 702 C ASP A 47 19.781 -17.481 4.011 1.00 62.23 C ATOM 703 O ASP A 47 18.691 -18.043 4.127 1.00 64.30 O ATOM 704 CB ASP A 47 20.757 -15.968 5.748 1.00 35.55 C ATOM 705 CG ASP A 47 20.275 -15.904 7.184 1.00 1.24 C ATOM 706 OD1 ASP A 47 20.818 -16.647 8.027 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.353 -15.109 7.464 1.00 73.34 O ATOM 0 H ASP A 47 22.807 -17.089 4.967 1.00 2.12 H new ATOM 0 HA ASP A 47 20.402 -18.075 5.969 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.769 -15.567 5.689 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.126 -15.332 5.127 1.00 35.55 H new ATOM 712 N PHE A 48 20.190 -16.923 2.877 1.00 64.30 N ATOM 713 CA PHE A 48 19.363 -16.938 1.676 1.00 64.44 C ATOM 714 C PHE A 48 18.926 -18.359 1.334 1.00 11.41 C ATOM 715 O PHE A 48 17.773 -18.597 0.971 1.00 74.22 O ATOM 716 CB PHE A 48 20.125 -16.329 0.498 1.00 22.22 C ATOM 717 CG PHE A 48 19.231 -15.821 -0.597 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.627 -14.578 -0.496 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.994 -16.586 -1.727 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.804 -14.107 -1.502 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.173 -16.120 -2.737 1.00 10.41 C ATOM 722 CZ PHE A 48 17.576 -14.880 -2.623 1.00 43.02 C ATOM 0 H PHE A 48 21.089 -16.455 2.764 1.00 64.30 H new ATOM 0 HA PHE A 48 18.473 -16.340 1.871 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.743 -15.508 0.861 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.800 -17.079 0.086 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.801 -13.970 0.379 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.456 -17.558 -1.820 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.340 -13.136 -1.411 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.999 -16.725 -3.614 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.932 -14.515 -3.409 1.00 43.02 H new ATOM 732 N VAL A 49 19.856 -19.302 1.451 1.00 31.14 N ATOM 733 CA VAL A 49 19.568 -20.700 1.155 1.00 4.02 C ATOM 734 C VAL A 49 18.421 -21.219 2.014 1.00 75.11 C ATOM 735 O VAL A 49 17.435 -21.746 1.499 1.00 13.45 O ATOM 736 CB VAL A 49 20.806 -21.587 1.381 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.465 -23.051 1.144 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.949 -21.145 0.480 1.00 40.22 C ATOM 0 H VAL A 49 20.815 -19.123 1.749 1.00 31.14 H new ATOM 0 HA VAL A 49 19.282 -20.749 0.104 1.00 4.02 H new ATOM 0 HB VAL A 49 21.126 -21.477 2.417 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.352 -23.662 1.308 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.680 -23.358 1.835 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.119 -23.183 0.119 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.816 -21.783 0.653 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.642 -21.225 -0.563 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.209 -20.110 0.703 1.00 40.22 H new ATOM 748 N ASP A 50 18.556 -21.066 3.327 1.00 22.50 N ATOM 749 CA ASP A 50 17.529 -21.518 4.259 1.00 13.12 C ATOM 750 C ASP A 50 16.218 -20.774 4.026 1.00 71.13 C ATOM 751 O ASP A 50 15.137 -21.300 4.294 1.00 54.43 O ATOM 752 CB ASP A 50 17.996 -21.315 5.702 1.00 0.42 C ATOM 753 CG ASP A 50 18.985 -22.376 6.145 1.00 65.22 C ATOM 754 OD1 ASP A 50 20.186 -22.235 5.833 1.00 60.22 O ATOM 755 OD2 ASP A 50 18.558 -23.345 6.805 1.00 24.13 O ATOM 0 H ASP A 50 19.366 -20.633 3.770 1.00 22.50 H new ATOM 0 HA ASP A 50 17.358 -22.581 4.086 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.456 -20.331 5.797 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.132 -21.328 6.366 1.00 0.42 H new ATOM 760 N LEU A 51 16.321 -19.547 3.528 1.00 21.14 N ATOM 761 CA LEU A 51 15.143 -18.729 3.260 1.00 73.32 C ATOM 762 C LEU A 51 14.301 -19.336 2.142 1.00 12.04 C ATOM 763 O LEU A 51 13.126 -19.648 2.336 1.00 41.05 O ATOM 764 CB LEU A 51 15.560 -17.306 2.884 1.00 42.44 C ATOM 765 CG LEU A 51 15.612 -16.297 4.032 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.146 -14.960 3.542 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.233 -16.126 4.653 1.00 62.45 C ATOM 0 H LEU A 51 17.208 -19.097 3.302 1.00 21.14 H new ATOM 0 HA LEU A 51 14.540 -18.697 4.168 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.545 -17.348 2.419 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.867 -16.933 2.130 1.00 42.44 H new ATOM 0 HG LEU A 51 16.289 -16.678 4.796 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.176 -14.254 4.372 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.151 -15.094 3.143 1.00 12.25 H new ATOM 0 HD13 LEU A 51 15.494 -14.572 2.760 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.288 -15.405 5.468 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.535 -15.766 3.897 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.887 -17.085 5.039 1.00 62.45 H new ATOM 779 N ILE A 52 14.911 -19.503 0.973 1.00 42.41 N ATOM 780 CA ILE A 52 14.219 -20.077 -0.175 1.00 64.52 C ATOM 781 C ILE A 52 13.762 -21.502 0.116 1.00 62.04 C ATOM 782 O ILE A 52 12.677 -21.913 -0.295 1.00 73.21 O ATOM 783 CB ILE A 52 15.114 -20.081 -1.427 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.426 -20.814 -1.140 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.387 -18.657 -1.889 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.409 -20.767 -2.291 1.00 45.42 C ATOM 0 H ILE A 52 15.883 -19.249 0.796 1.00 42.41 H new ATOM 0 HA ILE A 52 13.347 -19.451 -0.365 1.00 64.52 H new ATOM 0 HB ILE A 52 14.592 -20.607 -2.226 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.892 -20.376 -0.257 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.207 -21.855 -0.902 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.021 -18.677 -2.775 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.444 -18.165 -2.129 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.891 -18.107 -1.094 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.316 -21.306 -2.017 1.00 45.42 H new ATOM 0 HD12 ILE A 52 16.962 -21.231 -3.170 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.658 -19.730 -2.515 1.00 45.42 H new ATOM 798 N MET A 53 14.597 -22.252 0.827 1.00 51.11 N ATOM 799 CA MET A 53 14.278 -23.632 1.174 1.00 32.40 C ATOM 800 C MET A 53 13.120 -23.689 2.166 1.00 13.42 C ATOM 801 O MET A 53 12.230 -24.530 2.048 1.00 74.24 O ATOM 802 CB MET A 53 15.504 -24.330 1.764 1.00 44.13 C ATOM 803 CG MET A 53 16.569 -24.664 0.732 1.00 25.10 C ATOM 804 SD MET A 53 17.235 -26.327 0.933 1.00 72.30 S ATOM 805 CE MET A 53 15.758 -27.313 0.692 1.00 3.12 C ATOM 0 H MET A 53 15.500 -21.928 1.174 1.00 51.11 H new ATOM 0 HA MET A 53 13.979 -24.149 0.262 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.941 -23.691 2.531 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.187 -25.249 2.257 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.145 -24.565 -0.267 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.381 -23.940 0.806 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.034 -28.290 0.296 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.245 -27.439 1.645 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.096 -26.810 -0.013 1.00 3.12 H new ATOM 815 N SER A 54 13.139 -22.788 3.143 1.00 2.33 N ATOM 816 CA SER A 54 12.093 -22.738 4.158 1.00 62.54 C ATOM 817 C SER A 54 10.733 -22.463 3.523 1.00 44.30 C ATOM 818 O SER A 54 9.774 -23.206 3.735 1.00 20.01 O ATOM 819 CB SER A 54 12.411 -21.661 5.197 1.00 71.54 C ATOM 820 OG SER A 54 11.338 -21.499 6.108 1.00 73.12 O ATOM 0 H SER A 54 13.867 -22.083 3.253 1.00 2.33 H new ATOM 0 HA SER A 54 12.054 -23.709 4.652 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.316 -21.932 5.741 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.612 -20.715 4.695 1.00 71.54 H new ATOM 0 HG SER A 54 11.218 -20.547 6.306 1.00 73.12 H new ATOM 826 N LEU A 55 10.658 -21.390 2.743 1.00 14.25 N ATOM 827 CA LEU A 55 9.416 -21.015 2.076 1.00 10.24 C ATOM 828 C LEU A 55 9.011 -22.067 1.048 1.00 75.25 C ATOM 829 O LEU A 55 7.827 -22.353 0.873 1.00 71.11 O ATOM 830 CB LEU A 55 9.571 -19.654 1.396 1.00 41.14 C ATOM 831 CG LEU A 55 9.176 -18.437 2.233 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.602 -17.152 1.541 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.676 -18.433 2.494 1.00 42.13 C ATOM 0 H LEU A 55 11.442 -20.765 2.557 1.00 14.25 H new ATOM 0 HA LEU A 55 8.632 -20.950 2.830 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.611 -19.539 1.092 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.971 -19.654 0.486 1.00 41.14 H new ATOM 0 HG LEU A 55 9.691 -18.497 3.192 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.312 -16.297 2.152 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.684 -17.152 1.407 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.116 -17.084 0.568 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.413 -17.560 3.091 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.142 -18.398 1.545 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.398 -19.338 3.033 1.00 42.13 H new ATOM 845 N GLU A 56 10.002 -22.639 0.371 1.00 54.04 N ATOM 846 CA GLU A 56 9.748 -23.659 -0.638 1.00 2.32 C ATOM 847 C GLU A 56 8.996 -24.844 -0.037 1.00 62.44 C ATOM 848 O GLU A 56 7.965 -25.266 -0.561 1.00 54.25 O ATOM 849 CB GLU A 56 11.065 -24.138 -1.255 1.00 1.43 C ATOM 850 CG GLU A 56 10.887 -25.215 -2.311 1.00 42.31 C ATOM 851 CD GLU A 56 12.153 -26.014 -2.549 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.396 -26.980 -1.797 1.00 62.11 O ATOM 853 OE2 GLU A 56 12.901 -25.673 -3.489 1.00 14.34 O ATOM 0 H GLU A 56 10.988 -22.413 0.504 1.00 54.04 H new ATOM 0 HA GLU A 56 9.129 -23.215 -1.418 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.579 -23.286 -1.700 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.709 -24.520 -0.463 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.088 -25.890 -2.005 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.572 -24.753 -3.247 1.00 42.31 H new ATOM 860 N GLU A 57 9.519 -25.373 1.064 1.00 54.50 N ATOM 861 CA GLU A 57 8.898 -26.509 1.734 1.00 24.33 C ATOM 862 C GLU A 57 7.604 -26.090 2.427 1.00 63.24 C ATOM 863 O GLU A 57 6.667 -26.880 2.545 1.00 51.32 O ATOM 864 CB GLU A 57 9.861 -27.117 2.755 1.00 70.42 C ATOM 865 CG GLU A 57 10.172 -26.196 3.924 1.00 45.51 C ATOM 866 CD GLU A 57 11.049 -26.855 4.969 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.519 -27.657 5.767 1.00 54.44 O ATOM 868 OE2 GLU A 57 12.264 -26.571 4.991 1.00 54.52 O ATOM 0 H GLU A 57 10.371 -25.033 1.511 1.00 54.50 H new ATOM 0 HA GLU A 57 8.661 -27.258 0.979 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.434 -28.044 3.138 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.792 -27.379 2.252 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.667 -25.299 3.553 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.239 -25.876 4.388 1.00 45.51 H new ATOM 875 N ARG A 58 7.561 -24.843 2.883 1.00 53.32 N ATOM 876 CA ARG A 58 6.384 -24.320 3.566 1.00 13.33 C ATOM 877 C ARG A 58 5.156 -24.388 2.663 1.00 74.53 C ATOM 878 O ARG A 58 4.153 -25.012 3.007 1.00 31.54 O ATOM 879 CB ARG A 58 6.624 -22.874 4.008 1.00 54.15 C ATOM 880 CG ARG A 58 5.451 -22.262 4.754 1.00 74.42 C ATOM 881 CD ARG A 58 5.601 -22.427 6.259 1.00 52.45 C ATOM 882 NE ARG A 58 5.164 -23.744 6.711 1.00 53.44 N ATOM 883 CZ ARG A 58 5.024 -24.073 7.991 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.286 -23.184 8.939 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.623 -25.292 8.324 1.00 23.43 N ATOM 0 H ARG A 58 8.327 -24.176 2.792 1.00 53.32 H new ATOM 0 HA ARG A 58 6.202 -24.937 4.446 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.507 -22.840 4.646 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.842 -22.266 3.130 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.375 -21.203 4.509 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.524 -22.732 4.426 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.644 -22.276 6.538 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.020 -21.658 6.768 1.00 52.45 H new ATOM 0 HE ARG A 58 4.955 -24.451 6.006 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.596 -22.245 8.687 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.178 -23.439 9.921 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.421 -25.979 7.597 1.00 23.43 H new ATOM 0 HH22 ARG A 58 4.516 -25.543 9.307 1.00 23.43 H new ATOM 899 N PHE A 59 5.243 -23.742 1.505 1.00 13.35 N ATOM 900 CA PHE A 59 4.139 -23.728 0.552 1.00 45.43 C ATOM 901 C PHE A 59 4.310 -24.826 -0.494 1.00 63.14 C ATOM 902 O PHE A 59 3.589 -24.866 -1.491 1.00 53.21 O ATOM 903 CB PHE A 59 4.046 -22.364 -0.135 1.00 45.14 C ATOM 904 CG PHE A 59 3.579 -21.265 0.776 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.487 -20.542 1.532 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.233 -20.956 0.876 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.061 -19.529 2.371 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.800 -19.945 1.712 1.00 62.10 C ATOM 909 CZ PHE A 59 2.715 -19.231 2.462 1.00 34.21 C ATOM 0 H PHE A 59 6.067 -23.221 1.204 1.00 13.35 H new ATOM 0 HA PHE A 59 3.216 -23.913 1.101 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.025 -22.101 -0.537 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.363 -22.438 -0.981 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.540 -20.772 1.465 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.513 -21.512 0.294 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.779 -18.972 2.954 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.747 -19.713 1.779 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.379 -18.442 3.118 1.00 34.21 H new ATOM 919 N SER A 60 5.269 -25.716 -0.259 1.00 31.03 N ATOM 920 CA SER A 60 5.538 -26.812 -1.181 1.00 23.01 C ATOM 921 C SER A 60 5.721 -26.292 -2.604 1.00 74.45 C ATOM 922 O SER A 60 5.422 -26.989 -3.576 1.00 64.52 O ATOM 923 CB SER A 60 4.398 -27.833 -1.141 1.00 35.11 C ATOM 924 OG SER A 60 4.823 -29.091 -1.635 1.00 74.33 O ATOM 0 H SER A 60 5.873 -25.699 0.563 1.00 31.03 H new ATOM 0 HA SER A 60 6.462 -27.298 -0.869 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.040 -27.943 -0.117 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.559 -27.470 -1.735 1.00 35.11 H new ATOM 0 HG SER A 60 5.238 -28.974 -2.515 1.00 74.33 H new ATOM 930 N LEU A 61 6.213 -25.064 -2.720 1.00 21.40 N ATOM 931 CA LEU A 61 6.435 -24.448 -4.023 1.00 71.22 C ATOM 932 C LEU A 61 7.681 -25.023 -4.691 1.00 54.53 C ATOM 933 O LEU A 61 8.579 -25.528 -4.018 1.00 0.43 O ATOM 934 CB LEU A 61 6.576 -22.932 -3.876 1.00 74.25 C ATOM 935 CG LEU A 61 6.841 -22.154 -5.165 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.703 -22.355 -6.154 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.036 -20.675 -4.866 1.00 62.50 C ATOM 0 H LEU A 61 6.466 -24.475 -1.927 1.00 21.40 H new ATOM 0 HA LEU A 61 5.572 -24.667 -4.652 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.663 -22.545 -3.423 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.389 -22.729 -3.179 1.00 74.25 H new ATOM 0 HG LEU A 61 7.757 -22.536 -5.615 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.909 -21.794 -7.065 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.612 -23.414 -6.393 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.771 -22.001 -5.713 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.223 -20.138 -5.796 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.138 -20.278 -4.392 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.886 -20.548 -4.196 1.00 62.50 H new ATOM 949 N GLU A 62 7.728 -24.940 -6.016 1.00 64.11 N ATOM 950 CA GLU A 62 8.864 -25.450 -6.774 1.00 40.54 C ATOM 951 C GLU A 62 9.749 -24.308 -7.265 1.00 32.21 C ATOM 952 O GLU A 62 9.496 -23.722 -8.317 1.00 65.30 O ATOM 953 CB GLU A 62 8.380 -26.282 -7.963 1.00 3.23 C ATOM 954 CG GLU A 62 7.629 -27.540 -7.562 1.00 44.02 C ATOM 955 CD GLU A 62 7.212 -28.377 -8.755 1.00 2.22 C ATOM 956 OE1 GLU A 62 6.429 -27.876 -9.588 1.00 32.41 O ATOM 957 OE2 GLU A 62 7.670 -29.534 -8.856 1.00 33.24 O ATOM 0 H GLU A 62 6.992 -24.524 -6.587 1.00 64.11 H new ATOM 0 HA GLU A 62 9.454 -26.084 -6.112 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.732 -25.666 -8.587 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.239 -26.561 -8.574 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.258 -28.140 -6.904 1.00 44.02 H new ATOM 0 HG3 GLU A 62 6.743 -27.263 -6.990 1.00 44.02 H new ATOM 964 N ILE A 63 10.785 -23.998 -6.493 1.00 12.34 N ATOM 965 CA ILE A 63 11.708 -22.926 -6.848 1.00 13.42 C ATOM 966 C ILE A 63 12.999 -23.485 -7.436 1.00 50.35 C ATOM 967 O ILE A 63 13.534 -24.483 -6.951 1.00 1.03 O ATOM 968 CB ILE A 63 12.048 -22.049 -5.629 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.770 -21.634 -4.899 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.839 -20.824 -6.063 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.026 -20.843 -3.635 1.00 31.30 C ATOM 0 H ILE A 63 11.007 -24.473 -5.618 1.00 12.34 H new ATOM 0 HA ILE A 63 11.207 -22.313 -7.597 1.00 13.42 H new ATOM 0 HB ILE A 63 12.663 -22.630 -4.942 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.154 -21.038 -5.572 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.197 -22.527 -4.649 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.072 -20.214 -5.191 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.765 -21.140 -6.543 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.247 -20.239 -6.767 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.075 -20.583 -3.170 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.616 -21.444 -2.943 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.572 -19.932 -3.880 1.00 31.30 H new ATOM 983 N SER A 64 13.497 -22.834 -8.483 1.00 62.12 N ATOM 984 CA SER A 64 14.726 -23.267 -9.138 1.00 24.42 C ATOM 985 C SER A 64 15.843 -22.250 -8.924 1.00 43.13 C ATOM 986 O SER A 64 15.655 -21.238 -8.250 1.00 51.43 O ATOM 987 CB SER A 64 14.486 -23.471 -10.635 1.00 11.30 C ATOM 988 OG SER A 64 13.289 -22.836 -11.050 1.00 62.42 O ATOM 0 H SER A 64 13.068 -22.005 -8.895 1.00 62.12 H new ATOM 0 HA SER A 64 15.031 -24.214 -8.694 1.00 24.42 H new ATOM 0 HB2 SER A 64 15.328 -23.071 -11.200 1.00 11.30 H new ATOM 0 HB3 SER A 64 14.432 -24.537 -10.856 1.00 11.30 H new ATOM 0 HG SER A 64 13.159 -22.979 -12.011 1.00 62.42 H new ATOM 994 N ASP A 65 17.005 -22.528 -9.504 1.00 62.34 N ATOM 995 CA ASP A 65 18.154 -21.638 -9.378 1.00 23.42 C ATOM 996 C ASP A 65 17.915 -20.334 -10.133 1.00 74.13 C ATOM 997 O ASP A 65 18.136 -19.247 -9.599 1.00 54.05 O ATOM 998 CB ASP A 65 19.416 -22.322 -9.904 1.00 52.11 C ATOM 999 CG ASP A 65 20.679 -21.562 -9.547 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.644 -20.778 -8.576 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.701 -21.750 -10.240 1.00 61.43 O ATOM 0 H ASP A 65 17.177 -23.362 -10.066 1.00 62.34 H new ATOM 0 HA ASP A 65 18.290 -21.406 -8.322 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.475 -23.331 -9.496 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.348 -22.419 -10.988 1.00 52.11 H new ATOM 1006 N GLU A 66 17.467 -20.450 -11.379 1.00 21.54 N ATOM 1007 CA GLU A 66 17.202 -19.280 -12.207 1.00 3.53 C ATOM 1008 C GLU A 66 16.076 -18.438 -11.615 1.00 44.45 C ATOM 1009 O GLU A 66 16.134 -17.208 -11.628 1.00 51.24 O ATOM 1010 CB GLU A 66 16.837 -19.708 -13.631 1.00 13.04 C ATOM 1011 CG GLU A 66 18.001 -19.635 -14.605 1.00 65.22 C ATOM 1012 CD GLU A 66 18.879 -20.870 -14.561 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.326 -21.986 -14.458 1.00 23.41 O ATOM 1014 OE2 GLU A 66 20.116 -20.723 -14.628 1.00 75.31 O ATOM 0 H GLU A 66 17.280 -21.342 -11.837 1.00 21.54 H new ATOM 0 HA GLU A 66 18.108 -18.675 -12.237 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.457 -20.729 -13.608 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.028 -19.075 -13.996 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.616 -19.504 -15.616 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.605 -18.757 -14.378 1.00 65.22 H new ATOM 1021 N ASP A 67 15.053 -19.108 -11.096 1.00 50.34 N ATOM 1022 CA ASP A 67 13.914 -18.423 -10.498 1.00 4.40 C ATOM 1023 C ASP A 67 14.369 -17.477 -9.390 1.00 63.04 C ATOM 1024 O ASP A 67 13.993 -16.306 -9.367 1.00 63.01 O ATOM 1025 CB ASP A 67 12.916 -19.438 -9.938 1.00 31.35 C ATOM 1026 CG ASP A 67 12.191 -20.199 -11.031 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.423 -19.894 -12.219 1.00 23.01 O ATOM 1028 OD2 ASP A 67 11.393 -21.100 -10.698 1.00 3.12 O ATOM 0 H ASP A 67 14.990 -20.126 -11.078 1.00 50.34 H new ATOM 0 HA ASP A 67 13.426 -17.836 -11.276 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.442 -20.144 -9.295 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.187 -18.921 -9.314 1.00 31.35 H new ATOM 1033 N ALA A 68 15.181 -17.994 -8.474 1.00 50.52 N ATOM 1034 CA ALA A 68 15.689 -17.195 -7.365 1.00 14.12 C ATOM 1035 C ALA A 68 16.657 -16.125 -7.857 1.00 75.14 C ATOM 1036 O ALA A 68 16.867 -15.112 -7.189 1.00 20.01 O ATOM 1037 CB ALA A 68 16.367 -18.090 -6.338 1.00 45.43 C ATOM 0 H ALA A 68 15.501 -18.962 -8.478 1.00 50.52 H new ATOM 0 HA ALA A 68 14.844 -16.694 -6.894 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.742 -17.481 -5.515 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.648 -18.814 -5.955 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.198 -18.617 -6.807 1.00 45.43 H new ATOM 1043 N GLN A 69 17.240 -16.355 -9.029 1.00 33.43 N ATOM 1044 CA GLN A 69 18.187 -15.408 -9.608 1.00 50.50 C ATOM 1045 C GLN A 69 17.544 -14.038 -9.790 1.00 42.43 C ATOM 1046 O GLN A 69 18.236 -13.023 -9.875 1.00 20.02 O ATOM 1047 CB GLN A 69 18.700 -15.927 -10.953 1.00 42.55 C ATOM 1048 CG GLN A 69 20.215 -15.919 -11.071 1.00 42.41 C ATOM 1049 CD GLN A 69 20.892 -16.667 -9.940 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.647 -17.857 -9.732 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.750 -15.974 -9.202 1.00 70.11 N ATOM 0 H GLN A 69 17.074 -17.187 -9.596 1.00 33.43 H new ATOM 0 HA GLN A 69 19.027 -15.306 -8.921 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.338 -16.944 -11.102 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.279 -15.318 -11.753 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.504 -16.367 -12.022 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.569 -14.888 -11.083 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.923 -14.990 -9.410 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.237 -16.425 -8.427 1.00 70.11 H new ATOM 1060 N LYS A 70 16.217 -14.016 -9.850 1.00 74.45 N ATOM 1061 CA LYS A 70 15.479 -12.770 -10.021 1.00 1.53 C ATOM 1062 C LYS A 70 14.756 -12.384 -8.735 1.00 1.43 C ATOM 1063 O LYS A 70 14.366 -11.231 -8.551 1.00 51.12 O ATOM 1064 CB LYS A 70 14.472 -12.902 -11.165 1.00 34.22 C ATOM 1065 CG LYS A 70 13.383 -13.930 -10.901 1.00 63.44 C ATOM 1066 CD LYS A 70 12.100 -13.583 -11.637 1.00 33.11 C ATOM 1067 CE LYS A 70 11.220 -12.654 -10.816 1.00 71.42 C ATOM 1068 NZ LYS A 70 11.428 -11.226 -11.182 1.00 44.31 N ATOM 0 H LYS A 70 15.630 -14.848 -9.783 1.00 74.45 H new ATOM 0 HA LYS A 70 16.194 -11.984 -10.264 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.009 -11.932 -11.344 1.00 34.22 H new ATOM 0 HB3 LYS A 70 15.004 -13.174 -12.077 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.728 -14.916 -11.214 1.00 63.44 H new ATOM 0 HG3 LYS A 70 13.186 -13.986 -9.830 1.00 63.44 H new ATOM 0 HD2 LYS A 70 12.342 -13.110 -12.589 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.552 -14.497 -11.866 1.00 33.11 H new ATOM 0 HE2 LYS A 70 10.173 -12.919 -10.966 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.435 -12.792 -9.756 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 10.587 -10.674 -10.918 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.258 -10.856 -10.677 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.584 -11.150 -12.207 1.00 44.31 H new ATOM 1082 N LEU A 71 14.581 -13.357 -7.847 1.00 13.15 N ATOM 1083 CA LEU A 71 13.906 -13.119 -6.576 1.00 10.42 C ATOM 1084 C LEU A 71 14.885 -12.601 -5.526 1.00 61.30 C ATOM 1085 O LEU A 71 15.491 -13.379 -4.792 1.00 61.23 O ATOM 1086 CB LEU A 71 13.243 -14.405 -6.079 1.00 23.55 C ATOM 1087 CG LEU A 71 12.162 -14.996 -6.985 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.705 -16.348 -6.458 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.983 -14.041 -7.101 1.00 12.53 C ATOM 0 H LEU A 71 14.897 -14.317 -7.984 1.00 13.15 H new ATOM 0 HA LEU A 71 13.140 -12.360 -6.738 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.018 -15.157 -5.934 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.802 -14.209 -5.102 1.00 23.55 H new ATOM 0 HG LEU A 71 12.586 -15.140 -7.979 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.936 -16.754 -7.115 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.553 -17.032 -6.427 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.298 -16.229 -5.454 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.223 -14.478 -7.749 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.559 -13.865 -6.113 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.321 -13.095 -7.524 1.00 12.53 H new ATOM 1101 N GLU A 72 15.031 -11.281 -5.463 1.00 14.33 N ATOM 1102 CA GLU A 72 15.937 -10.660 -4.503 1.00 73.52 C ATOM 1103 C GLU A 72 15.167 -9.777 -3.524 1.00 43.43 C ATOM 1104 O GLU A 72 15.510 -9.694 -2.344 1.00 73.12 O ATOM 1105 CB GLU A 72 16.996 -9.829 -5.231 1.00 41.34 C ATOM 1106 CG GLU A 72 16.417 -8.863 -6.251 1.00 21.33 C ATOM 1107 CD GLU A 72 17.489 -8.134 -7.037 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.319 -8.811 -7.679 1.00 42.31 O ATOM 1109 OE2 GLU A 72 17.499 -6.885 -7.011 1.00 52.00 O ATOM 0 H GLU A 72 14.535 -10.622 -6.064 1.00 14.33 H new ATOM 0 HA GLU A 72 16.431 -11.453 -3.942 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.572 -9.266 -4.496 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.691 -10.502 -5.734 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.775 -9.411 -6.941 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.788 -8.135 -5.740 1.00 21.33 H new ATOM 1116 N THR A 73 14.126 -9.117 -4.022 1.00 72.44 N ATOM 1117 CA THR A 73 13.310 -8.241 -3.193 1.00 4.34 C ATOM 1118 C THR A 73 12.090 -8.975 -2.649 1.00 12.00 C ATOM 1119 O THR A 73 11.585 -9.909 -3.274 1.00 42.34 O ATOM 1120 CB THR A 73 12.839 -7.002 -3.980 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.168 -7.409 -5.177 1.00 4.12 O ATOM 1122 CG2 THR A 73 14.017 -6.105 -4.330 1.00 4.33 C ATOM 0 H THR A 73 13.829 -9.173 -4.996 1.00 72.44 H new ATOM 0 HA THR A 73 13.937 -7.920 -2.362 1.00 4.34 H new ATOM 0 HB THR A 73 12.149 -6.439 -3.352 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.870 -6.617 -5.671 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.661 -5.237 -4.885 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.507 -5.774 -3.414 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.728 -6.660 -4.942 1.00 4.33 H new ATOM 1130 N VAL A 74 11.620 -8.550 -1.481 1.00 44.25 N ATOM 1131 CA VAL A 74 10.457 -9.168 -0.854 1.00 71.10 C ATOM 1132 C VAL A 74 9.263 -9.176 -1.799 1.00 60.12 C ATOM 1133 O VAL A 74 8.631 -10.212 -2.011 1.00 22.51 O ATOM 1134 CB VAL A 74 10.067 -8.437 0.445 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.946 -9.178 1.157 1.00 52.13 C ATOM 1136 CG2 VAL A 74 11.277 -8.282 1.354 1.00 34.04 C ATOM 0 H VAL A 74 12.026 -7.780 -0.949 1.00 44.25 H new ATOM 0 HA VAL A 74 10.733 -10.195 -0.615 1.00 71.10 H new ATOM 0 HB VAL A 74 9.706 -7.441 0.187 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.683 -8.648 2.072 1.00 52.13 H new ATOM 0 HG12 VAL A 74 8.074 -9.231 0.505 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.276 -10.187 1.404 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.983 -7.764 2.266 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.671 -9.266 1.607 1.00 34.04 H new ATOM 0 HG23 VAL A 74 12.046 -7.705 0.841 1.00 34.04 H new ATOM 1146 N ASP A 75 8.955 -8.014 -2.366 1.00 22.54 N ATOM 1147 CA ASP A 75 7.836 -7.887 -3.292 1.00 40.14 C ATOM 1148 C ASP A 75 7.934 -8.922 -4.409 1.00 70.00 C ATOM 1149 O ASP A 75 6.955 -9.593 -4.735 1.00 42.53 O ATOM 1150 CB ASP A 75 7.794 -6.479 -3.886 1.00 63.23 C ATOM 1151 CG ASP A 75 6.564 -6.247 -4.741 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.449 -6.548 -4.268 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.718 -5.765 -5.883 1.00 1.32 O ATOM 0 H ASP A 75 9.465 -7.146 -2.200 1.00 22.54 H new ATOM 0 HA ASP A 75 6.915 -8.065 -2.736 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.815 -5.747 -3.079 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.688 -6.315 -4.488 1.00 63.23 H new ATOM 1158 N ASP A 76 9.121 -9.043 -4.993 1.00 53.01 N ATOM 1159 CA ASP A 76 9.348 -9.995 -6.073 1.00 32.13 C ATOM 1160 C ASP A 76 9.137 -11.427 -5.590 1.00 4.15 C ATOM 1161 O ASP A 76 8.433 -12.210 -6.227 1.00 73.03 O ATOM 1162 CB ASP A 76 10.762 -9.836 -6.634 1.00 73.52 C ATOM 1163 CG ASP A 76 10.865 -8.699 -7.631 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.007 -7.794 -7.589 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.803 -8.717 -8.456 1.00 43.24 O ATOM 0 H ASP A 76 9.941 -8.493 -4.736 1.00 53.01 H new ATOM 0 HA ASP A 76 8.627 -9.788 -6.863 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.458 -9.660 -5.813 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.065 -10.766 -7.115 1.00 73.52 H new ATOM 1170 N ILE A 77 9.752 -11.761 -4.460 1.00 33.41 N ATOM 1171 CA ILE A 77 9.632 -13.098 -3.892 1.00 42.01 C ATOM 1172 C ILE A 77 8.174 -13.448 -3.614 1.00 14.23 C ATOM 1173 O ILE A 77 7.665 -14.459 -4.099 1.00 4.43 O ATOM 1174 CB ILE A 77 10.437 -13.229 -2.586 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.914 -12.921 -2.838 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.273 -14.624 -2.001 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.651 -12.443 -1.607 1.00 0.20 C ATOM 0 H ILE A 77 10.338 -11.124 -3.920 1.00 33.41 H new ATOM 0 HA ILE A 77 10.036 -13.792 -4.629 1.00 42.01 H new ATOM 0 HB ILE A 77 10.053 -12.507 -1.866 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.404 -13.817 -3.219 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.991 -12.161 -3.615 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.848 -14.701 -1.078 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.220 -14.808 -1.789 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.634 -15.363 -2.716 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.692 -12.244 -1.861 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.187 -11.529 -1.237 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.606 -13.211 -0.835 1.00 0.20 H new ATOM 1189 N CYS A 78 7.507 -12.605 -2.835 1.00 61.25 N ATOM 1190 CA CYS A 78 6.106 -12.824 -2.493 1.00 2.14 C ATOM 1191 C CYS A 78 5.252 -12.945 -3.751 1.00 72.24 C ATOM 1192 O CYS A 78 4.367 -13.795 -3.833 1.00 42.05 O ATOM 1193 CB CYS A 78 5.588 -11.682 -1.618 1.00 33.40 C ATOM 1194 SG CYS A 78 4.029 -12.043 -0.778 1.00 42.35 S ATOM 0 H CYS A 78 7.914 -11.763 -2.428 1.00 61.25 H new ATOM 0 HA CYS A 78 6.035 -13.759 -1.936 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.343 -11.440 -0.870 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.457 -10.795 -2.237 1.00 33.40 H new ATOM 0 HG CYS A 78 3.340 -12.888 -1.486 1.00 42.35 H new ATOM 1200 N ARG A 79 5.524 -12.087 -4.729 1.00 42.12 N ATOM 1201 CA ARG A 79 4.779 -12.095 -5.982 1.00 32.51 C ATOM 1202 C ARG A 79 4.941 -13.431 -6.701 1.00 62.11 C ATOM 1203 O ARG A 79 3.980 -13.974 -7.247 1.00 54.33 O ATOM 1204 CB ARG A 79 5.249 -10.956 -6.888 1.00 34.14 C ATOM 1205 CG ARG A 79 4.401 -9.699 -6.776 1.00 33.33 C ATOM 1206 CD ARG A 79 5.144 -8.478 -7.292 1.00 43.34 C ATOM 1207 NE ARG A 79 4.395 -7.780 -8.333 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.365 -8.167 -9.603 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.041 -9.242 -9.987 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.660 -7.481 -10.492 1.00 72.00 N ATOM 0 H ARG A 79 6.255 -11.377 -4.678 1.00 42.12 H new ATOM 0 HA ARG A 79 3.724 -11.952 -5.749 1.00 32.51 H new ATOM 0 HB2 ARG A 79 6.282 -10.710 -6.642 1.00 34.14 H new ATOM 0 HB3 ARG A 79 5.240 -11.299 -7.923 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.478 -9.830 -7.341 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.118 -9.541 -5.735 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.337 -7.795 -6.465 1.00 43.34 H new ATOM 0 HD3 ARG A 79 6.113 -8.783 -7.686 1.00 43.34 H new ATOM 0 HE ARG A 79 3.865 -6.949 -8.070 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.585 -9.773 -9.306 1.00 41.13 H new ATOM 0 HH12 ARG A 79 5.017 -9.538 -10.963 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.139 -6.654 -10.201 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.639 -7.780 -11.467 1.00 72.00 H new ATOM 1224 N TYR A 80 6.161 -13.954 -6.699 1.00 65.34 N ATOM 1225 CA TYR A 80 6.450 -15.224 -7.354 1.00 50.23 C ATOM 1226 C TYR A 80 5.742 -16.376 -6.646 1.00 33.42 C ATOM 1227 O TYR A 80 5.223 -17.289 -7.289 1.00 3.40 O ATOM 1228 CB TYR A 80 7.959 -15.478 -7.379 1.00 55.12 C ATOM 1229 CG TYR A 80 8.331 -16.866 -7.849 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.395 -17.930 -6.957 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.622 -17.113 -9.185 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.735 -19.199 -7.383 1.00 73.04 C ATOM 1233 CE2 TYR A 80 8.962 -18.379 -9.620 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.018 -19.419 -8.715 1.00 53.44 C ATOM 1235 OH TYR A 80 9.358 -20.682 -9.143 1.00 12.11 O ATOM 0 H TYR A 80 6.967 -13.518 -6.251 1.00 65.34 H new ATOM 0 HA TYR A 80 6.080 -15.167 -8.378 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.432 -14.744 -8.031 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.362 -15.322 -6.378 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.175 -17.762 -5.913 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.582 -16.301 -9.896 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.779 -20.015 -6.677 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.183 -18.554 -10.663 1.00 4.04 H new ATOM 0 HH TYR A 80 10.186 -20.638 -9.666 1.00 12.11 H new ATOM 1245 N ILE A 81 5.722 -16.324 -5.318 1.00 75.45 N ATOM 1246 CA ILE A 81 5.076 -17.360 -4.523 1.00 44.21 C ATOM 1247 C ILE A 81 3.558 -17.266 -4.628 1.00 45.44 C ATOM 1248 O ILE A 81 2.862 -18.282 -4.647 1.00 63.42 O ATOM 1249 CB ILE A 81 5.483 -17.268 -3.041 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.000 -17.412 -2.896 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.765 -18.334 -2.227 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.502 -17.136 -1.496 1.00 20.45 C ATOM 0 H ILE A 81 6.146 -15.575 -4.771 1.00 75.45 H new ATOM 0 HA ILE A 81 5.407 -18.318 -4.924 1.00 44.21 H new ATOM 0 HB ILE A 81 5.191 -16.289 -2.660 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.290 -18.422 -3.185 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.490 -16.729 -3.590 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.063 -18.256 -1.182 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.688 -18.190 -2.309 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.029 -19.321 -2.607 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.585 -17.257 -1.467 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.243 -16.116 -1.211 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.040 -17.836 -0.799 1.00 20.45 H new ATOM 1264 N ALA A 82 3.049 -16.041 -4.698 1.00 24.44 N ATOM 1265 CA ALA A 82 1.613 -15.814 -4.804 1.00 74.32 C ATOM 1266 C ALA A 82 1.090 -16.245 -6.170 1.00 1.20 C ATOM 1267 O ALA A 82 0.061 -16.913 -6.269 1.00 72.43 O ATOM 1268 CB ALA A 82 1.289 -14.349 -4.552 1.00 50.42 C ATOM 0 H ALA A 82 3.610 -15.189 -4.683 1.00 24.44 H new ATOM 0 HA ALA A 82 1.118 -16.420 -4.045 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.213 -14.195 -4.635 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.620 -14.070 -3.552 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.802 -13.731 -5.289 1.00 50.42 H new ATOM 1274 N SER A 83 1.805 -15.859 -7.222 1.00 34.12 N ATOM 1275 CA SER A 83 1.409 -16.202 -8.583 1.00 43.14 C ATOM 1276 C SER A 83 1.223 -17.709 -8.730 1.00 54.13 C ATOM 1277 O SER A 83 0.453 -18.173 -9.572 1.00 22.31 O ATOM 1278 CB SER A 83 2.457 -15.706 -9.582 1.00 1.43 C ATOM 1279 OG SER A 83 2.394 -16.440 -10.792 1.00 10.43 O ATOM 0 H SER A 83 2.661 -15.309 -7.158 1.00 34.12 H new ATOM 0 HA SER A 83 0.458 -15.713 -8.793 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.297 -14.647 -9.786 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.452 -15.800 -9.147 1.00 1.43 H new ATOM 0 HG SER A 83 3.072 -16.103 -11.414 1.00 10.43 H new ATOM 1285 N LYS A 84 1.934 -18.470 -7.906 1.00 42.25 N ATOM 1286 CA LYS A 84 1.849 -19.926 -7.941 1.00 0.24 C ATOM 1287 C LYS A 84 0.627 -20.418 -7.171 1.00 65.15 C ATOM 1288 O LYS A 84 -0.183 -21.182 -7.695 1.00 0.04 O ATOM 1289 CB LYS A 84 3.119 -20.547 -7.356 1.00 70.24 C ATOM 1290 CG LYS A 84 4.386 -20.146 -8.091 1.00 52.41 C ATOM 1291 CD LYS A 84 4.721 -21.129 -9.200 1.00 32.14 C ATOM 1292 CE LYS A 84 6.185 -21.039 -9.602 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.589 -22.170 -10.483 1.00 51.04 N ATOM 0 H LYS A 84 2.577 -18.103 -7.204 1.00 42.25 H new ATOM 0 HA LYS A 84 1.749 -20.234 -8.982 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.208 -20.254 -6.310 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.025 -21.633 -7.376 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.263 -19.148 -8.513 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.216 -20.094 -7.386 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.495 -22.143 -8.869 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.092 -20.929 -10.067 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.363 -20.095 -10.118 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.808 -21.035 -8.707 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.593 -22.072 -10.735 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.444 -23.070 -9.982 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.012 -22.159 -11.348 1.00 51.04 H new