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 -117:sc= 1.04 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.348) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.111 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.615 USER MOD Set 3.1: A 6 SER OG : rot 47:sc= -0.368 USER MOD Set 3.2: A 78 CYS SG : rot -31:sc= -0.293 USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0431) USER MOD Single : A 12 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.3!) USER MOD Single : A 14 MET CE :methyl -173:sc= -1.56 (180deg=-1.65) USER MOD Single : A 16 SER OG : rot 180:sc= 0.186 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.44 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.9!) USER MOD Single : A 27 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 36 ASN : amide:sc= -1.59 K(o=-1.6,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00796 X(o=-0.008,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.185 (180deg=-0.88) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -45:sc= 0.674 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.427 -11.445 -2.686 1.00 10.42 N ATOM 67 CA SER A 6 -1.032 -12.448 -1.819 1.00 13.32 C ATOM 68 C SER A 6 -0.805 -12.104 -0.350 1.00 1.55 C ATOM 69 O SER A 6 0.222 -12.460 0.229 1.00 70.20 O ATOM 70 CB SER A 6 -0.458 -13.832 -2.125 1.00 31.11 C ATOM 71 OG SER A 6 0.927 -13.887 -1.829 1.00 12.30 O ATOM 0 HA SER A 6 -2.105 -12.458 -2.011 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.988 -14.586 -1.542 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.618 -14.071 -3.176 1.00 31.11 H new ATOM 0 HG SER A 6 1.089 -13.490 -0.948 1.00 12.30 H new ATOM 77 N GLU A 7 -1.769 -11.410 0.246 1.00 25.12 N ATOM 78 CA GLU A 7 -1.673 -11.018 1.647 1.00 23.40 C ATOM 79 C GLU A 7 -1.521 -12.242 2.546 1.00 11.43 C ATOM 80 O GLU A 7 -0.889 -12.176 3.599 1.00 4.20 O ATOM 81 CB GLU A 7 -2.909 -10.217 2.062 1.00 61.41 C ATOM 82 CG GLU A 7 -2.768 -8.721 1.838 1.00 52.15 C ATOM 83 CD GLU A 7 -3.143 -8.303 0.431 1.00 32.24 C ATOM 84 OE1 GLU A 7 -3.927 -9.030 -0.216 1.00 63.30 O ATOM 85 OE2 GLU A 7 -2.654 -7.248 -0.025 1.00 13.40 O ATOM 0 H GLU A 7 -2.625 -11.108 -0.219 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.788 -10.392 1.762 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.771 -10.580 1.503 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.113 -10.400 3.117 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.399 -8.190 2.551 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.739 -8.423 2.039 1.00 52.15 H new ATOM 92 N GLU A 8 -2.106 -13.357 2.121 1.00 62.33 N ATOM 93 CA GLU A 8 -2.037 -14.595 2.888 1.00 22.01 C ATOM 94 C GLU A 8 -0.598 -15.091 2.993 1.00 45.53 C ATOM 95 O GLU A 8 -0.100 -15.356 4.088 1.00 0.33 O ATOM 96 CB GLU A 8 -2.913 -15.671 2.243 1.00 5.22 C ATOM 97 CG GLU A 8 -2.992 -16.956 3.049 1.00 4.01 C ATOM 98 CD GLU A 8 -4.067 -16.909 4.117 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.164 -16.383 3.835 1.00 20.33 O ATOM 100 OE2 GLU A 8 -3.810 -17.399 5.238 1.00 10.50 O ATOM 0 H GLU A 8 -2.633 -13.429 1.250 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.407 -14.390 3.893 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.919 -15.275 2.107 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.523 -15.898 1.251 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.189 -17.791 2.377 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.027 -17.146 3.518 1.00 4.01 H new ATOM 107 N ILE A 9 0.065 -15.213 1.848 1.00 60.43 N ATOM 108 CA ILE A 9 1.446 -15.676 1.811 1.00 52.14 C ATOM 109 C ILE A 9 2.398 -14.607 2.336 1.00 13.42 C ATOM 110 O ILE A 9 3.429 -14.917 2.934 1.00 51.22 O ATOM 111 CB ILE A 9 1.870 -16.068 0.382 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.788 -16.926 -0.277 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.198 -16.810 0.410 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.172 -17.434 -1.649 1.00 72.45 C ATOM 0 H ILE A 9 -0.332 -14.998 0.934 1.00 60.43 H new ATOM 0 HA ILE A 9 1.502 -16.556 2.452 1.00 52.14 H new ATOM 0 HB ILE A 9 1.995 -15.159 -0.207 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.567 -17.777 0.368 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.128 -16.341 -0.358 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.485 -17.081 -0.606 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.964 -16.168 0.845 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.097 -17.713 1.011 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.358 -18.034 -2.056 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.364 -16.588 -2.309 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.071 -18.046 -1.572 1.00 72.45 H new ATOM 126 N LYS A 10 2.046 -13.346 2.110 1.00 24.45 N ATOM 127 CA LYS A 10 2.866 -12.228 2.563 1.00 53.51 C ATOM 128 C LYS A 10 3.208 -12.369 4.042 1.00 24.33 C ATOM 129 O LYS A 10 4.332 -12.092 4.459 1.00 33.51 O ATOM 130 CB LYS A 10 2.141 -10.904 2.320 1.00 74.03 C ATOM 131 CG LYS A 10 3.077 -9.724 2.123 1.00 54.41 C ATOM 132 CD LYS A 10 3.576 -9.182 3.451 1.00 65.13 C ATOM 133 CE LYS A 10 4.238 -7.822 3.285 1.00 45.24 C ATOM 134 NZ LYS A 10 5.457 -7.900 2.434 1.00 3.11 N ATOM 0 H LYS A 10 1.197 -13.072 1.615 1.00 24.45 H new ATOM 0 HA LYS A 10 3.794 -12.236 1.991 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.506 -11.004 1.440 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.484 -10.699 3.165 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.926 -10.030 1.511 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.559 -8.935 1.578 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.742 -9.099 4.148 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.287 -9.883 3.887 1.00 65.13 H new ATOM 0 HE2 LYS A 10 3.528 -7.124 2.840 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.504 -7.425 4.265 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.972 -6.998 2.482 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 6.070 -8.667 2.776 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.181 -8.090 1.449 1.00 3.11 H new ATOM 148 N ALA A 11 2.231 -12.803 4.832 1.00 50.21 N ATOM 149 CA ALA A 11 2.430 -12.984 6.264 1.00 34.33 C ATOM 150 C ALA A 11 3.357 -14.161 6.546 1.00 4.45 C ATOM 151 O ALA A 11 4.096 -14.157 7.530 1.00 53.20 O ATOM 152 CB ALA A 11 1.092 -13.185 6.962 1.00 43.42 C ATOM 0 H ALA A 11 1.294 -13.036 4.504 1.00 50.21 H new ATOM 0 HA ALA A 11 2.901 -12.083 6.656 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.256 -13.319 8.031 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.461 -12.311 6.798 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.599 -14.069 6.557 1.00 43.42 H new ATOM 158 N GLN A 12 3.312 -15.165 5.677 1.00 24.33 N ATOM 159 CA GLN A 12 4.149 -16.349 5.834 1.00 2.14 C ATOM 160 C GLN A 12 5.594 -16.048 5.453 1.00 42.14 C ATOM 161 O GLN A 12 6.525 -16.413 6.171 1.00 75.20 O ATOM 162 CB GLN A 12 3.611 -17.496 4.978 1.00 54.01 C ATOM 163 CG GLN A 12 2.435 -18.227 5.607 1.00 32.44 C ATOM 164 CD GLN A 12 2.855 -19.489 6.335 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.758 -20.592 5.795 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.323 -19.334 7.568 1.00 62.23 N ATOM 0 H GLN A 12 2.705 -15.183 4.857 1.00 24.33 H new ATOM 0 HA GLN A 12 4.124 -16.645 6.883 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.306 -17.102 4.008 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.415 -18.209 4.794 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.929 -17.560 6.305 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.714 -18.483 4.831 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.386 -18.401 7.976 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.620 -20.148 8.107 1.00 62.23 H new ATOM 175 N VAL A 13 5.776 -15.380 4.318 1.00 55.30 N ATOM 176 CA VAL A 13 7.109 -15.030 3.841 1.00 61.15 C ATOM 177 C VAL A 13 7.794 -14.057 4.792 1.00 35.34 C ATOM 178 O VAL A 13 8.977 -14.202 5.100 1.00 43.12 O ATOM 179 CB VAL A 13 7.055 -14.406 2.434 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.607 -15.436 1.409 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.133 -13.195 2.424 1.00 71.30 C ATOM 0 H VAL A 13 5.017 -15.070 3.711 1.00 55.30 H new ATOM 0 HA VAL A 13 7.684 -15.955 3.797 1.00 61.15 H new ATOM 0 HB VAL A 13 8.057 -14.074 2.164 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.575 -14.976 0.421 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.310 -16.269 1.399 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.614 -15.802 1.671 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.106 -12.766 1.422 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.128 -13.501 2.715 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.504 -12.450 3.128 1.00 71.30 H new ATOM 191 N MET A 14 7.042 -13.063 5.256 1.00 13.51 N ATOM 192 CA MET A 14 7.577 -12.064 6.174 1.00 42.15 C ATOM 193 C MET A 14 7.846 -12.676 7.546 1.00 13.12 C ATOM 194 O MET A 14 8.827 -12.335 8.205 1.00 73.12 O ATOM 195 CB MET A 14 6.606 -10.890 6.308 1.00 42.43 C ATOM 196 CG MET A 14 5.313 -11.250 7.024 1.00 3.14 C ATOM 197 SD MET A 14 5.375 -10.893 8.790 1.00 42.00 S ATOM 198 CE MET A 14 3.822 -11.601 9.333 1.00 52.44 C ATOM 0 H MET A 14 6.061 -12.928 5.011 1.00 13.51 H new ATOM 0 HA MET A 14 8.520 -11.700 5.766 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.098 -10.082 6.849 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.368 -10.510 5.314 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.487 -10.698 6.574 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.105 -12.310 6.879 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.655 -11.352 10.381 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.008 -11.198 8.730 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.856 -12.684 9.219 1.00 52.44 H new ATOM 208 N GLU A 15 6.967 -13.580 7.968 1.00 31.13 N ATOM 209 CA GLU A 15 7.111 -14.238 9.262 1.00 3.51 C ATOM 210 C GLU A 15 8.319 -15.170 9.268 1.00 40.41 C ATOM 211 O GLU A 15 9.007 -15.305 10.280 1.00 50.11 O ATOM 212 CB GLU A 15 5.845 -15.026 9.602 1.00 51.42 C ATOM 213 CG GLU A 15 5.952 -15.826 10.888 1.00 64.33 C ATOM 214 CD GLU A 15 4.600 -16.260 11.421 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.574 -15.756 10.917 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.568 -17.103 12.340 1.00 12.44 O ATOM 0 H GLU A 15 6.149 -13.873 7.434 1.00 31.13 H new ATOM 0 HA GLU A 15 7.265 -13.467 10.017 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.007 -14.333 9.684 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.618 -15.705 8.780 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.569 -16.707 10.713 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.460 -15.226 11.643 1.00 64.33 H new ATOM 223 N SER A 16 8.571 -15.809 8.130 1.00 34.34 N ATOM 224 CA SER A 16 9.695 -16.731 8.005 1.00 4.21 C ATOM 225 C SER A 16 11.014 -15.971 7.908 1.00 25.30 C ATOM 226 O SER A 16 12.016 -16.367 8.503 1.00 71.45 O ATOM 227 CB SER A 16 9.515 -17.622 6.773 1.00 21.44 C ATOM 228 OG SER A 16 8.663 -18.718 7.057 1.00 73.30 O ATOM 0 H SER A 16 8.013 -15.706 7.282 1.00 34.34 H new ATOM 0 HA SER A 16 9.721 -17.356 8.898 1.00 4.21 H new ATOM 0 HB2 SER A 16 9.098 -17.036 5.954 1.00 21.44 H new ATOM 0 HB3 SER A 16 10.486 -17.989 6.440 1.00 21.44 H new ATOM 0 HG SER A 16 8.563 -19.271 6.254 1.00 73.30 H new ATOM 234 N VAL A 17 11.005 -14.877 7.154 1.00 40.23 N ATOM 235 CA VAL A 17 12.201 -14.060 6.979 1.00 71.33 C ATOM 236 C VAL A 17 12.646 -13.447 8.302 1.00 73.43 C ATOM 237 O VAL A 17 13.800 -13.589 8.707 1.00 75.50 O ATOM 238 CB VAL A 17 11.964 -12.931 5.958 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.149 -11.977 5.933 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.706 -13.510 4.576 1.00 64.43 C ATOM 0 H VAL A 17 10.184 -14.536 6.655 1.00 40.23 H new ATOM 0 HA VAL A 17 12.984 -14.720 6.606 1.00 71.33 H new ATOM 0 HB VAL A 17 11.081 -12.368 6.262 1.00 54.13 H new ATOM 0 HG11 VAL A 17 12.964 -11.186 5.206 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.283 -11.537 6.921 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.050 -12.523 5.653 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.541 -12.699 3.867 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.568 -14.097 4.261 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.824 -14.149 4.608 1.00 64.43 H new ATOM 250 N ILE A 18 11.722 -12.768 8.973 1.00 20.20 N ATOM 251 CA ILE A 18 12.019 -12.135 10.253 1.00 4.21 C ATOM 252 C ILE A 18 12.738 -13.099 11.190 1.00 21.34 C ATOM 253 O ILE A 18 13.800 -12.785 11.725 1.00 62.42 O ATOM 254 CB ILE A 18 10.738 -11.627 10.941 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.083 -10.528 10.103 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.054 -11.119 12.340 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.595 -10.392 10.340 1.00 14.31 C ATOM 0 H ILE A 18 10.762 -12.642 8.652 1.00 20.20 H new ATOM 0 HA ILE A 18 12.669 -11.286 10.041 1.00 4.21 H new ATOM 0 HB ILE A 18 10.036 -12.457 11.027 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.566 -9.577 10.325 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.257 -10.735 9.047 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.139 -10.763 12.813 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.479 -11.928 12.934 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.771 -10.301 12.277 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.198 -9.594 9.713 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.100 -11.330 10.090 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.414 -10.154 11.388 1.00 14.31 H new ATOM 269 N GLY A 19 12.153 -14.277 11.380 1.00 20.44 N ATOM 270 CA GLY A 19 12.753 -15.271 12.251 1.00 33.42 C ATOM 271 C GLY A 19 13.961 -15.939 11.623 1.00 43.03 C ATOM 272 O GLY A 19 14.822 -16.468 12.327 1.00 24.14 O ATOM 0 H GLY A 19 11.274 -14.561 10.947 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.049 -14.798 13.187 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.010 -16.029 12.498 1.00 33.42 H new ATOM 276 N CYS A 20 14.024 -15.916 10.297 1.00 11.52 N ATOM 277 CA CYS A 20 15.135 -16.526 9.574 1.00 1.22 C ATOM 278 C CYS A 20 16.451 -15.834 9.914 1.00 65.11 C ATOM 279 O CYS A 20 17.434 -16.486 10.269 1.00 25.20 O ATOM 280 CB CYS A 20 14.886 -16.461 8.066 1.00 12.21 C ATOM 281 SG CYS A 20 14.350 -18.028 7.339 1.00 23.42 S ATOM 0 H CYS A 20 13.320 -15.482 9.700 1.00 11.52 H new ATOM 0 HA CYS A 20 15.205 -17.570 9.879 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.130 -15.702 7.866 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.801 -16.137 7.571 1.00 12.21 H new ATOM 0 HG CYS A 20 13.061 -18.143 7.458 1.00 23.42 H new ATOM 287 N LEU A 21 16.462 -14.511 9.803 1.00 53.41 N ATOM 288 CA LEU A 21 17.659 -13.729 10.097 1.00 51.22 C ATOM 289 C LEU A 21 17.524 -13.010 11.436 1.00 15.30 C ATOM 290 O LEU A 21 18.389 -12.223 11.820 1.00 53.22 O ATOM 291 CB LEU A 21 17.915 -12.712 8.983 1.00 25.12 C ATOM 292 CG LEU A 21 16.695 -12.297 8.160 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.884 -10.897 7.596 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.440 -13.295 7.041 1.00 52.43 C ATOM 0 H LEU A 21 15.657 -13.957 9.512 1.00 53.41 H new ATOM 0 HA LEU A 21 18.505 -14.414 10.156 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.349 -11.817 9.428 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.662 -13.126 8.305 1.00 25.12 H new ATOM 0 HG LEU A 21 15.824 -12.289 8.816 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.006 -10.618 7.013 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.016 -10.190 8.415 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.766 -10.879 6.955 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.568 -12.983 6.467 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.310 -13.337 6.386 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.259 -14.282 7.468 1.00 52.43 H new ATOM 306 N LYS A 22 16.433 -13.287 12.143 1.00 1.40 N ATOM 307 CA LYS A 22 16.185 -12.670 13.440 1.00 75.54 C ATOM 308 C LYS A 22 16.350 -11.156 13.363 1.00 52.33 C ATOM 309 O LYS A 22 17.440 -10.627 13.590 1.00 32.45 O ATOM 310 CB LYS A 22 17.138 -13.245 14.491 1.00 53.14 C ATOM 311 CG LYS A 22 16.929 -14.726 14.757 1.00 11.31 C ATOM 312 CD LYS A 22 17.994 -15.281 15.690 1.00 24.50 C ATOM 313 CE LYS A 22 19.369 -15.254 15.043 1.00 14.00 C ATOM 314 NZ LYS A 22 20.247 -16.340 15.562 1.00 54.14 N ATOM 0 H LYS A 22 15.707 -13.935 11.839 1.00 1.40 H new ATOM 0 HA LYS A 22 15.158 -12.891 13.729 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.165 -13.085 14.164 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.011 -12.696 15.424 1.00 53.14 H new ATOM 0 HG2 LYS A 22 15.943 -14.882 15.195 1.00 11.31 H new ATOM 0 HG3 LYS A 22 16.949 -15.272 13.814 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.012 -14.698 16.611 1.00 24.50 H new ATOM 0 HD3 LYS A 22 17.740 -16.305 15.966 1.00 24.50 H new ATOM 0 HE2 LYS A 22 19.264 -15.356 13.963 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.838 -14.288 15.228 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 21.176 -16.288 15.097 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 20.368 -16.228 16.589 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 19.811 -17.263 15.363 1.00 54.14 H new ATOM 328 N LEU A 23 15.263 -10.462 13.045 1.00 63.12 N ATOM 329 CA LEU A 23 15.287 -9.008 12.940 1.00 10.22 C ATOM 330 C LEU A 23 14.901 -8.360 14.265 1.00 71.20 C ATOM 331 O LEU A 23 14.120 -8.917 15.036 1.00 42.11 O ATOM 332 CB LEU A 23 14.336 -8.541 11.835 1.00 24.31 C ATOM 333 CG LEU A 23 14.846 -8.695 10.402 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.167 -7.964 10.224 1.00 62.24 C ATOM 335 CD2 LEU A 23 14.997 -10.166 10.045 1.00 71.34 C ATOM 0 H LEU A 23 14.354 -10.883 12.855 1.00 63.12 H new ATOM 0 HA LEU A 23 16.303 -8.703 12.690 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.402 -9.095 11.929 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.101 -7.490 12.005 1.00 24.31 H new ATOM 0 HG LEU A 23 14.114 -8.251 9.727 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.514 -8.085 9.198 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.028 -6.904 10.438 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.907 -8.378 10.909 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.361 -10.257 9.022 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.708 -10.634 10.726 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.031 -10.663 10.132 1.00 71.34 H new ATOM 347 N ASN A 24 15.452 -7.178 14.523 1.00 45.20 N ATOM 348 CA ASN A 24 15.164 -6.453 15.756 1.00 65.04 C ATOM 349 C ASN A 24 14.057 -5.428 15.537 1.00 22.23 C ATOM 350 O ASN A 24 13.524 -5.298 14.435 1.00 61.52 O ATOM 351 CB ASN A 24 16.426 -5.757 16.269 1.00 25.14 C ATOM 352 CG ASN A 24 16.492 -5.720 17.784 1.00 24.34 C ATOM 353 OD1 ASN A 24 15.960 -6.601 18.460 1.00 75.32 O ATOM 354 ND2 ASN A 24 17.145 -4.698 18.323 1.00 12.31 N ATOM 0 H ASN A 24 16.100 -6.702 13.895 1.00 45.20 H new ATOM 0 HA ASN A 24 14.826 -7.173 16.502 1.00 65.04 H new ATOM 0 HB2 ASN A 24 17.305 -6.273 15.882 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.459 -4.739 15.882 1.00 25.14 H new ATOM 0 HD21 ASN A 24 17.222 -4.619 19.337 1.00 12.31 H new ATOM 0 HD22 ASN A 24 17.570 -3.991 17.723 1.00 12.31 H new ATOM 361 N ASP A 25 13.714 -4.700 16.595 1.00 44.23 N ATOM 362 CA ASP A 25 12.671 -3.684 16.518 1.00 34.40 C ATOM 363 C ASP A 25 12.963 -2.688 15.400 1.00 23.34 C ATOM 364 O ASP A 25 12.097 -2.393 14.578 1.00 45.40 O ATOM 365 CB ASP A 25 12.548 -2.948 17.854 1.00 1.51 C ATOM 366 CG ASP A 25 13.897 -2.654 18.480 1.00 64.32 C ATOM 367 OD1 ASP A 25 14.485 -1.602 18.155 1.00 20.14 O ATOM 368 OD2 ASP A 25 14.366 -3.477 19.294 1.00 24.33 O ATOM 0 H ASP A 25 14.143 -4.795 17.515 1.00 44.23 H new ATOM 0 HA ASP A 25 11.727 -4.183 16.298 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.010 -2.012 17.702 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.954 -3.549 18.543 1.00 1.51 H new ATOM 373 N GLU A 26 14.188 -2.173 15.378 1.00 23.44 N ATOM 374 CA GLU A 26 14.593 -1.209 14.361 1.00 51.55 C ATOM 375 C GLU A 26 14.382 -1.776 12.959 1.00 41.22 C ATOM 376 O GLU A 26 13.712 -1.165 12.128 1.00 64.53 O ATOM 377 CB GLU A 26 16.060 -0.819 14.551 1.00 23.33 C ATOM 378 CG GLU A 26 16.432 0.493 13.883 1.00 11.13 C ATOM 379 CD GLU A 26 17.716 1.084 14.432 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.117 0.697 15.550 1.00 53.41 O ATOM 381 OE2 GLU A 26 18.321 1.932 13.743 1.00 10.11 O ATOM 0 H GLU A 26 14.917 -2.407 16.052 1.00 23.44 H new ATOM 0 HA GLU A 26 13.972 -0.320 14.472 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.273 -0.747 15.618 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.693 -1.612 14.152 1.00 23.33 H new ATOM 0 HG2 GLU A 26 16.540 0.332 12.810 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.620 1.208 14.018 1.00 11.13 H new ATOM 388 N GLN A 27 14.959 -2.946 12.708 1.00 43.14 N ATOM 389 CA GLN A 27 14.836 -3.594 11.408 1.00 70.43 C ATOM 390 C GLN A 27 13.371 -3.755 11.016 1.00 74.33 C ATOM 391 O GLN A 27 12.980 -3.445 9.891 1.00 70.11 O ATOM 392 CB GLN A 27 15.524 -4.960 11.428 1.00 60.33 C ATOM 393 CG GLN A 27 16.956 -4.913 11.935 1.00 35.01 C ATOM 394 CD GLN A 27 17.729 -3.727 11.391 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.611 -2.611 11.897 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.525 -3.963 10.355 1.00 31.11 N ATOM 0 H GLN A 27 15.516 -3.465 13.387 1.00 43.14 H new ATOM 0 HA GLN A 27 15.324 -2.960 10.667 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.947 -5.639 12.056 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.518 -5.375 10.420 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.951 -4.870 13.024 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.467 -5.834 11.655 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.592 -4.904 9.967 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.069 -3.203 9.947 1.00 31.11 H new ATOM 405 N LYS A 28 12.564 -4.241 11.952 1.00 33.40 N ATOM 406 CA LYS A 28 11.141 -4.443 11.708 1.00 0.31 C ATOM 407 C LYS A 28 10.424 -3.107 11.533 1.00 73.13 C ATOM 408 O LYS A 28 9.354 -3.041 10.928 1.00 33.23 O ATOM 409 CB LYS A 28 10.509 -5.226 12.860 1.00 10.45 C ATOM 410 CG LYS A 28 11.078 -6.624 13.029 1.00 2.22 C ATOM 411 CD LYS A 28 10.562 -7.287 14.295 1.00 53.25 C ATOM 412 CE LYS A 28 9.100 -7.685 14.161 1.00 14.30 C ATOM 413 NZ LYS A 28 8.582 -8.323 15.403 1.00 1.02 N ATOM 0 H LYS A 28 12.872 -4.503 12.889 1.00 33.40 H new ATOM 0 HA LYS A 28 11.035 -5.017 10.787 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.651 -4.670 13.787 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.434 -5.298 12.693 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.813 -7.233 12.165 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.166 -6.573 13.061 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.162 -8.170 14.515 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.679 -6.605 15.137 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.503 -6.803 13.930 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.987 -8.374 13.324 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.583 -8.579 15.271 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.135 -9.179 15.610 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.666 -7.656 16.197 1.00 1.02 H new ATOM 427 N GLN A 29 11.021 -2.047 12.066 1.00 54.00 N ATOM 428 CA GLN A 29 10.439 -0.713 11.968 1.00 31.22 C ATOM 429 C GLN A 29 10.886 -0.017 10.687 1.00 50.15 C ATOM 430 O GLN A 29 10.256 0.941 10.237 1.00 72.44 O ATOM 431 CB GLN A 29 10.832 0.129 13.184 1.00 30.00 C ATOM 432 CG GLN A 29 9.998 -0.163 14.421 1.00 61.43 C ATOM 433 CD GLN A 29 10.420 0.666 15.618 1.00 52.42 C ATOM 434 OE1 GLN A 29 11.611 0.855 15.868 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.444 1.166 16.366 1.00 52.22 N ATOM 0 H GLN A 29 11.907 -2.085 12.570 1.00 54.00 H new ATOM 0 HA GLN A 29 9.354 -0.818 11.943 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.883 -0.048 13.414 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.735 1.185 12.931 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.948 0.031 14.201 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.081 -1.221 14.669 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.470 0.984 16.122 1.00 52.22 H new ATOM 0 HE22 GLN A 29 9.668 1.732 17.185 1.00 52.22 H new ATOM 444 N ILE A 30 11.976 -0.503 10.105 1.00 2.02 N ATOM 445 CA ILE A 30 12.506 0.072 8.875 1.00 13.22 C ATOM 446 C ILE A 30 12.399 -0.913 7.716 1.00 11.13 C ATOM 447 O ILE A 30 13.112 -0.795 6.718 1.00 22.43 O ATOM 448 CB ILE A 30 13.978 0.495 9.040 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.848 -0.721 9.366 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.107 1.552 10.127 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.576 -1.283 8.165 1.00 63.02 C ATOM 0 H ILE A 30 12.510 -1.294 10.465 1.00 2.02 H new ATOM 0 HA ILE A 30 11.905 0.954 8.655 1.00 13.22 H new ATOM 0 HB ILE A 30 14.324 0.924 8.100 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.578 -0.442 10.125 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.221 -1.501 9.798 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.153 1.841 10.232 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.515 2.426 9.857 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.746 1.147 11.073 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.173 -2.142 8.471 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.851 -1.594 7.413 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.230 -0.518 7.745 1.00 63.02 H new ATOM 463 N LEU A 31 11.503 -1.884 7.853 1.00 64.14 N ATOM 464 CA LEU A 31 11.300 -2.891 6.817 1.00 21.12 C ATOM 465 C LEU A 31 10.206 -2.459 5.846 1.00 14.43 C ATOM 466 O LEU A 31 9.327 -1.672 6.195 1.00 1.54 O ATOM 467 CB LEU A 31 10.935 -4.235 7.447 1.00 41.11 C ATOM 468 CG LEU A 31 11.553 -5.473 6.795 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.813 -6.551 7.835 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.648 -6.000 5.690 1.00 12.21 C ATOM 0 H LEU A 31 10.905 -1.996 8.672 1.00 64.14 H new ATOM 0 HA LEU A 31 12.232 -2.999 6.263 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.232 -4.215 8.495 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.850 -4.341 7.425 1.00 41.11 H new ATOM 0 HG LEU A 31 12.507 -5.189 6.351 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.253 -7.424 7.352 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.500 -6.170 8.590 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.873 -6.834 8.309 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.103 -6.881 5.237 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.679 -6.268 6.110 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.514 -5.229 4.931 1.00 12.21 H new ATOM 482 N SER A 32 10.266 -2.980 4.624 1.00 11.55 N ATOM 483 CA SER A 32 9.281 -2.647 3.602 1.00 52.24 C ATOM 484 C SER A 32 9.231 -3.727 2.524 1.00 35.45 C ATOM 485 O SER A 32 10.174 -4.500 2.360 1.00 30.51 O ATOM 486 CB SER A 32 9.609 -1.294 2.969 1.00 52.12 C ATOM 487 OG SER A 32 9.199 -1.252 1.614 1.00 54.11 O ATOM 0 H SER A 32 10.986 -3.634 4.318 1.00 11.55 H new ATOM 0 HA SER A 32 8.303 -2.589 4.080 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.114 -0.499 3.527 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.681 -1.109 3.034 1.00 52.12 H new ATOM 0 HG SER A 32 9.419 -0.376 1.233 1.00 54.11 H new ATOM 493 N GLY A 33 8.123 -3.772 1.791 1.00 1.31 N ATOM 494 CA GLY A 33 7.969 -4.758 0.738 1.00 55.30 C ATOM 495 C GLY A 33 8.934 -4.537 -0.409 1.00 2.44 C ATOM 496 O GLY A 33 9.351 -5.488 -1.072 1.00 22.34 O ATOM 0 H GLY A 33 7.329 -3.143 1.908 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.124 -5.754 1.152 1.00 55.30 H new ATOM 0 HA3 GLY A 33 6.947 -4.725 0.360 1.00 55.30 H new ATOM 500 N THR A 34 9.290 -3.279 -0.647 1.00 51.35 N ATOM 501 CA THR A 34 10.210 -2.934 -1.724 1.00 3.10 C ATOM 502 C THR A 34 11.619 -2.703 -1.191 1.00 64.01 C ATOM 503 O THR A 34 12.326 -1.803 -1.646 1.00 73.14 O ATOM 504 CB THR A 34 9.746 -1.674 -2.478 1.00 42.35 C ATOM 505 OG1 THR A 34 9.855 -0.527 -1.630 1.00 2.24 O ATOM 506 CG2 THR A 34 8.307 -1.826 -2.951 1.00 32.33 C ATOM 0 H THR A 34 8.955 -2.481 -0.108 1.00 51.35 H new ATOM 0 HA THR A 34 10.219 -3.778 -2.414 1.00 3.10 H new ATOM 0 HB THR A 34 10.387 -1.543 -3.350 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.559 0.270 -2.118 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.001 -0.924 -3.481 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.233 -2.683 -3.620 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.656 -1.980 -2.091 1.00 32.33 H new ATOM 514 N THR A 35 12.023 -3.521 -0.223 1.00 44.01 N ATOM 515 CA THR A 35 13.348 -3.405 0.372 1.00 42.43 C ATOM 516 C THR A 35 14.105 -4.726 0.291 1.00 0.31 C ATOM 517 O THR A 35 13.791 -5.677 1.005 1.00 42.14 O ATOM 518 CB THR A 35 13.265 -2.964 1.846 1.00 23.32 C ATOM 519 OG1 THR A 35 12.628 -1.685 1.939 1.00 14.23 O ATOM 520 CG2 THR A 35 14.650 -2.894 2.469 1.00 52.31 C ATOM 0 H THR A 35 11.451 -4.271 0.165 1.00 44.01 H new ATOM 0 HA THR A 35 13.885 -2.646 -0.197 1.00 42.43 H new ATOM 0 HB THR A 35 12.677 -3.702 2.391 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.853 -1.269 2.798 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.565 -2.581 3.510 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.120 -3.877 2.423 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.259 -2.175 1.922 1.00 52.31 H new ATOM 528 N ASN A 36 15.104 -4.777 -0.584 1.00 22.34 N ATOM 529 CA ASN A 36 15.906 -5.982 -0.759 1.00 3.42 C ATOM 530 C ASN A 36 16.473 -6.456 0.577 1.00 24.22 C ATOM 531 O ASN A 36 17.432 -5.883 1.095 1.00 54.35 O ATOM 532 CB ASN A 36 17.046 -5.722 -1.746 1.00 23.01 C ATOM 533 CG ASN A 36 17.741 -7.000 -2.176 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.466 -8.077 -1.648 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.647 -6.885 -3.139 1.00 21.54 N ATOM 0 H ASN A 36 15.377 -3.998 -1.183 1.00 22.34 H new ATOM 0 HA ASN A 36 15.260 -6.764 -1.158 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.652 -5.212 -2.625 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.774 -5.052 -1.288 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.147 -7.710 -3.470 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.843 -5.972 -3.548 1.00 21.54 H new ATOM 542 N LEU A 37 15.874 -7.506 1.127 1.00 42.04 N ATOM 543 CA LEU A 37 16.319 -8.058 2.401 1.00 41.12 C ATOM 544 C LEU A 37 17.698 -8.696 2.267 1.00 34.43 C ATOM 545 O LEU A 37 18.345 -9.014 3.264 1.00 41.43 O ATOM 546 CB LEU A 37 15.313 -9.093 2.909 1.00 32.32 C ATOM 547 CG LEU A 37 13.839 -8.701 2.811 1.00 23.33 C ATOM 548 CD1 LEU A 37 12.948 -9.868 3.208 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.550 -7.487 3.681 1.00 73.30 C ATOM 0 H LEU A 37 15.079 -7.992 0.711 1.00 42.04 H new ATOM 0 HA LEU A 37 16.386 -7.241 3.119 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.460 -10.018 2.351 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.542 -9.311 3.952 1.00 32.32 H new ATOM 0 HG LEU A 37 13.621 -8.440 1.775 1.00 23.33 H new ATOM 0 HD11 LEU A 37 11.902 -9.570 3.132 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.134 -10.711 2.542 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.168 -10.161 4.235 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.496 -7.223 3.598 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.785 -7.719 4.720 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.161 -6.648 3.349 1.00 73.30 H new ATOM 561 N ALA A 38 18.143 -8.877 1.028 1.00 11.43 N ATOM 562 CA ALA A 38 19.446 -9.472 0.763 1.00 64.01 C ATOM 563 C ALA A 38 20.549 -8.420 0.809 1.00 74.52 C ATOM 564 O ALA A 38 21.596 -8.629 1.422 1.00 11.43 O ATOM 565 CB ALA A 38 19.441 -10.176 -0.585 1.00 72.25 C ATOM 0 H ALA A 38 17.619 -8.620 0.191 1.00 11.43 H new ATOM 0 HA ALA A 38 19.648 -10.207 1.543 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.421 -10.616 -0.769 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.685 -10.962 -0.582 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.213 -9.456 -1.371 1.00 72.25 H new ATOM 571 N LYS A 39 20.308 -7.288 0.155 1.00 24.43 N ATOM 572 CA LYS A 39 21.281 -6.202 0.121 1.00 74.40 C ATOM 573 C LYS A 39 21.141 -5.309 1.350 1.00 20.11 C ATOM 574 O LYS A 39 22.117 -5.049 2.054 1.00 33.41 O ATOM 575 CB LYS A 39 21.101 -5.370 -1.151 1.00 32.01 C ATOM 576 CG LYS A 39 22.397 -4.774 -1.675 1.00 13.31 C ATOM 577 CD LYS A 39 23.094 -5.718 -2.639 1.00 0.14 C ATOM 578 CE LYS A 39 23.858 -4.955 -3.712 1.00 0.24 C ATOM 579 NZ LYS A 39 25.157 -4.436 -3.204 1.00 32.20 N ATOM 0 H LYS A 39 19.447 -7.099 -0.359 1.00 24.43 H new ATOM 0 HA LYS A 39 22.279 -6.640 0.123 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.659 -5.997 -1.926 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.395 -4.564 -0.951 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.188 -3.829 -2.177 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.060 -4.551 -0.839 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.782 -6.360 -2.088 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.357 -6.369 -3.109 1.00 0.14 H new ATOM 0 HE2 LYS A 39 24.037 -5.609 -4.565 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.250 -4.124 -4.070 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 25.647 -3.923 -3.964 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 24.985 -3.792 -2.406 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 25.748 -5.231 -2.886 1.00 32.20 H new ATOM 593 N ASP A 40 19.923 -4.842 1.601 1.00 63.34 N ATOM 594 CA ASP A 40 19.655 -3.980 2.746 1.00 12.34 C ATOM 595 C ASP A 40 20.225 -4.584 4.026 1.00 41.35 C ATOM 596 O ASP A 40 21.117 -4.010 4.653 1.00 11.14 O ATOM 597 CB ASP A 40 18.151 -3.751 2.900 1.00 60.32 C ATOM 598 CG ASP A 40 17.834 -2.512 3.713 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.941 -1.397 3.161 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.480 -2.656 4.903 1.00 22.23 O ATOM 0 H ASP A 40 19.105 -5.046 1.027 1.00 63.34 H new ATOM 0 HA ASP A 40 20.143 -3.021 2.569 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.697 -3.660 1.913 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.701 -4.621 3.379 1.00 60.32 H new ATOM 605 N PHE A 41 19.703 -5.744 4.409 1.00 51.23 N ATOM 606 CA PHE A 41 20.157 -6.426 5.616 1.00 55.34 C ATOM 607 C PHE A 41 21.475 -7.155 5.365 1.00 13.42 C ATOM 608 O PHE A 41 22.052 -7.746 6.277 1.00 4.32 O ATOM 609 CB PHE A 41 19.096 -7.417 6.097 1.00 32.53 C ATOM 610 CG PHE A 41 17.827 -6.759 6.560 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.856 -5.786 7.546 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.606 -7.115 6.009 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.691 -5.181 7.974 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.438 -6.512 6.434 1.00 63.51 C ATOM 615 CZ PHE A 41 15.480 -5.543 7.417 1.00 32.44 C ATOM 0 H PHE A 41 18.965 -6.232 3.901 1.00 51.23 H new ATOM 0 HA PHE A 41 20.319 -5.675 6.389 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.863 -8.109 5.287 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.508 -8.010 6.914 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.800 -5.498 7.984 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.567 -7.872 5.239 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.727 -4.425 8.744 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.492 -6.798 5.998 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.568 -5.069 7.749 1.00 32.44 H new ATOM 625 N ASN A 42 21.944 -7.106 4.123 1.00 62.01 N ATOM 626 CA ASN A 42 23.192 -7.763 3.752 1.00 43.41 C ATOM 627 C ASN A 42 23.192 -9.221 4.197 1.00 32.20 C ATOM 628 O ASN A 42 24.161 -9.700 4.789 1.00 14.03 O ATOM 629 CB ASN A 42 24.382 -7.028 4.370 1.00 74.50 C ATOM 630 CG ASN A 42 25.636 -7.142 3.525 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.593 -7.818 3.903 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.636 -6.481 2.373 1.00 71.31 N ATOM 0 H ASN A 42 21.479 -6.619 3.357 1.00 62.01 H new ATOM 0 HA ASN A 42 23.281 -7.734 2.666 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.128 -5.976 4.498 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.579 -7.432 5.363 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.452 -6.522 1.762 1.00 71.31 H new ATOM 0 HD22 ASN A 42 24.820 -5.933 2.100 1.00 71.31 H new ATOM 639 N LEU A 43 22.103 -9.923 3.908 1.00 0.14 N ATOM 640 CA LEU A 43 21.977 -11.329 4.277 1.00 4.12 C ATOM 641 C LEU A 43 23.094 -12.158 3.652 1.00 55.50 C ATOM 642 O LEU A 43 23.518 -11.898 2.526 1.00 12.51 O ATOM 643 CB LEU A 43 20.616 -11.872 3.839 1.00 2.23 C ATOM 644 CG LEU A 43 19.429 -11.508 4.730 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.134 -12.044 4.142 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.637 -12.043 6.140 1.00 61.35 C ATOM 0 H LEU A 43 21.293 -9.542 3.419 1.00 0.14 H new ATOM 0 HA LEU A 43 22.058 -11.403 5.361 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.411 -11.512 2.831 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.682 -12.959 3.782 1.00 2.23 H new ATOM 0 HG LEU A 43 19.358 -10.421 4.780 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.301 -11.774 4.791 1.00 22.23 H new ATOM 0 HD12 LEU A 43 17.978 -11.613 3.153 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.193 -13.129 4.060 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.782 -11.775 6.761 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.735 -13.128 6.107 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.543 -11.610 6.563 1.00 61.35 H new ATOM 658 N ASP A 44 23.564 -13.159 4.389 1.00 13.11 N ATOM 659 CA ASP A 44 24.630 -14.029 3.906 1.00 72.53 C ATOM 660 C ASP A 44 24.069 -15.127 3.006 1.00 75.24 C ATOM 661 O ASP A 44 22.899 -15.491 3.112 1.00 40.44 O ATOM 662 CB ASP A 44 25.382 -14.651 5.083 1.00 51.15 C ATOM 663 CG ASP A 44 26.824 -14.973 4.744 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.643 -14.033 4.682 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.134 -16.166 4.540 1.00 30.42 O ATOM 0 H ASP A 44 23.223 -13.388 5.323 1.00 13.11 H new ATOM 0 HA ASP A 44 25.323 -13.424 3.322 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.355 -13.966 5.930 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.873 -15.563 5.395 1.00 51.15 H new ATOM 670 N SER A 45 24.913 -15.648 2.122 1.00 65.32 N ATOM 671 CA SER A 45 24.501 -16.701 1.201 1.00 60.12 C ATOM 672 C SER A 45 23.918 -17.889 1.960 1.00 31.24 C ATOM 673 O SER A 45 23.107 -18.645 1.425 1.00 40.22 O ATOM 674 CB SER A 45 25.687 -17.157 0.350 1.00 63.42 C ATOM 675 OG SER A 45 26.882 -17.182 1.111 1.00 12.42 O ATOM 0 H SER A 45 25.886 -15.358 2.024 1.00 65.32 H new ATOM 0 HA SER A 45 23.729 -16.296 0.547 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.488 -18.150 -0.053 1.00 63.42 H new ATOM 0 HB3 SER A 45 25.808 -16.486 -0.500 1.00 63.42 H new ATOM 0 HG SER A 45 27.625 -17.478 0.544 1.00 12.42 H new ATOM 681 N LEU A 46 24.339 -18.049 3.210 1.00 71.33 N ATOM 682 CA LEU A 46 23.859 -19.145 4.045 1.00 25.25 C ATOM 683 C LEU A 46 22.418 -18.906 4.482 1.00 62.14 C ATOM 684 O LEU A 46 21.603 -19.829 4.499 1.00 62.33 O ATOM 685 CB LEU A 46 24.757 -19.307 5.272 1.00 13.24 C ATOM 686 CG LEU A 46 26.202 -19.726 4.996 1.00 31.11 C ATOM 687 CD1 LEU A 46 27.058 -19.540 6.239 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.255 -21.170 4.521 1.00 75.23 C ATOM 0 H LEU A 46 25.012 -17.434 3.668 1.00 71.33 H new ATOM 0 HA LEU A 46 23.892 -20.061 3.455 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.771 -18.362 5.814 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.305 -20.047 5.933 1.00 13.24 H new ATOM 0 HG LEU A 46 26.601 -19.089 4.207 1.00 31.11 H new ATOM 0 HD11 LEU A 46 28.083 -19.843 6.024 1.00 42.14 H new ATOM 0 HD12 LEU A 46 27.045 -18.491 6.536 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.661 -20.152 7.049 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.290 -21.452 4.329 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.838 -21.821 5.289 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.675 -21.273 3.604 1.00 75.23 H new ATOM 700 N ASP A 47 22.109 -17.662 4.833 1.00 2.12 N ATOM 701 CA ASP A 47 20.766 -17.301 5.268 1.00 55.22 C ATOM 702 C ASP A 47 19.775 -17.403 4.112 1.00 62.23 C ATOM 703 O ASP A 47 18.702 -17.991 4.251 1.00 64.30 O ATOM 704 CB ASP A 47 20.755 -15.883 5.841 1.00 35.55 C ATOM 705 CG ASP A 47 20.198 -15.832 7.250 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.102 -16.386 7.475 1.00 22.24 O ATOM 707 OD2 ASP A 47 20.860 -15.239 8.128 1.00 73.34 O ATOM 0 H ASP A 47 22.772 -16.887 4.824 1.00 2.12 H new ATOM 0 HA ASP A 47 20.463 -18.001 6.047 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.770 -15.486 5.840 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.160 -15.238 5.195 1.00 35.55 H new ATOM 712 N PHE A 48 20.141 -16.826 2.973 1.00 64.30 N ATOM 713 CA PHE A 48 19.284 -16.850 1.794 1.00 64.44 C ATOM 714 C PHE A 48 18.843 -18.274 1.471 1.00 11.41 C ATOM 715 O PHE A 48 17.659 -18.536 1.259 1.00 74.22 O ATOM 716 CB PHE A 48 20.016 -16.246 0.592 1.00 22.22 C ATOM 717 CG PHE A 48 19.094 -15.775 -0.496 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.468 -14.542 -0.406 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.853 -16.565 -1.608 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.619 -14.105 -1.406 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.007 -16.133 -2.611 1.00 10.41 C ATOM 722 CZ PHE A 48 17.388 -14.903 -2.510 1.00 43.02 C ATOM 0 H PHE A 48 21.026 -16.336 2.841 1.00 64.30 H new ATOM 0 HA PHE A 48 18.397 -16.253 2.008 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.624 -15.407 0.931 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.699 -16.989 0.182 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.645 -13.915 0.455 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.332 -17.529 -1.692 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.137 -13.142 -1.324 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.830 -16.757 -3.474 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.725 -14.565 -3.292 1.00 43.02 H new ATOM 732 N VAL A 49 19.804 -19.191 1.435 1.00 31.14 N ATOM 733 CA VAL A 49 19.516 -20.589 1.139 1.00 4.02 C ATOM 734 C VAL A 49 18.423 -21.131 2.054 1.00 75.11 C ATOM 735 O VAL A 49 17.440 -21.708 1.591 1.00 13.45 O ATOM 736 CB VAL A 49 20.774 -21.465 1.285 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.435 -22.930 1.060 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.856 -21.006 0.320 1.00 40.22 C ATOM 0 H VAL A 49 20.789 -18.991 1.607 1.00 31.14 H new ATOM 0 HA VAL A 49 19.173 -20.629 0.105 1.00 4.02 H new ATOM 0 HB VAL A 49 21.154 -21.358 2.301 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.337 -23.533 1.167 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.696 -23.249 1.794 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.029 -23.060 0.057 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.738 -21.636 0.436 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.488 -21.083 -0.703 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.119 -19.970 0.534 1.00 40.22 H new ATOM 748 N ASP A 50 18.603 -20.941 3.356 1.00 22.50 N ATOM 749 CA ASP A 50 17.632 -21.409 4.339 1.00 13.12 C ATOM 750 C ASP A 50 16.281 -20.732 4.132 1.00 71.13 C ATOM 751 O ASP A 50 15.233 -21.315 4.413 1.00 54.43 O ATOM 752 CB ASP A 50 18.140 -21.142 5.756 1.00 0.42 C ATOM 753 CG ASP A 50 19.017 -22.263 6.278 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.906 -22.718 5.529 1.00 24.13 O ATOM 755 OD2 ASP A 50 18.814 -22.686 7.435 1.00 60.22 O ATOM 0 H ASP A 50 19.412 -20.466 3.756 1.00 22.50 H new ATOM 0 HA ASP A 50 17.504 -22.483 4.205 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.703 -20.209 5.767 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.289 -21.009 6.425 1.00 0.42 H new ATOM 760 N LEU A 51 16.312 -19.497 3.642 1.00 21.14 N ATOM 761 CA LEU A 51 15.090 -18.740 3.399 1.00 73.32 C ATOM 762 C LEU A 51 14.292 -19.346 2.248 1.00 12.04 C ATOM 763 O LEU A 51 13.134 -19.729 2.417 1.00 41.05 O ATOM 764 CB LEU A 51 15.425 -17.280 3.088 1.00 42.44 C ATOM 765 CG LEU A 51 15.343 -16.307 4.266 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.294 -15.139 4.060 1.00 12.25 C ATOM 767 CD2 LEU A 51 13.917 -15.810 4.449 1.00 62.45 C ATOM 0 H LEU A 51 17.170 -18.999 3.405 1.00 21.14 H new ATOM 0 HA LEU A 51 14.480 -18.783 4.301 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.434 -17.239 2.678 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.749 -16.931 2.307 1.00 42.44 H new ATOM 0 HG LEU A 51 15.641 -16.836 5.171 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.222 -14.457 4.908 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.315 -15.511 3.979 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.027 -14.610 3.145 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.878 -15.119 5.291 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.591 -15.298 3.544 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.259 -16.657 4.643 1.00 62.45 H new ATOM 779 N ILE A 52 14.921 -19.431 1.081 1.00 42.41 N ATOM 780 CA ILE A 52 14.270 -19.995 -0.096 1.00 64.52 C ATOM 781 C ILE A 52 13.800 -21.421 0.165 1.00 62.04 C ATOM 782 O ILE A 52 12.728 -21.823 -0.284 1.00 73.21 O ATOM 783 CB ILE A 52 15.212 -19.992 -1.315 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.525 -20.702 -0.974 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.479 -18.567 -1.775 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.549 -20.643 -2.085 1.00 45.42 C ATOM 0 H ILE A 52 15.879 -19.117 0.925 1.00 42.41 H new ATOM 0 HA ILE A 52 13.407 -19.365 -0.311 1.00 64.52 H new ATOM 0 HB ILE A 52 14.729 -20.532 -2.130 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.949 -20.253 -0.076 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.314 -21.746 -0.740 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.146 -18.582 -2.637 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.538 -18.092 -2.053 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.944 -18.005 -0.966 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.454 -21.166 -1.774 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.144 -21.118 -2.979 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.789 -19.602 -2.304 1.00 45.42 H new ATOM 798 N MET A 53 14.609 -22.181 0.897 1.00 51.11 N ATOM 799 CA MET A 53 14.273 -23.562 1.221 1.00 32.40 C ATOM 800 C MET A 53 13.088 -23.623 2.179 1.00 13.42 C ATOM 801 O MET A 53 12.199 -24.461 2.028 1.00 74.24 O ATOM 802 CB MET A 53 15.480 -24.271 1.840 1.00 44.13 C ATOM 803 CG MET A 53 16.566 -24.612 0.832 1.00 25.10 C ATOM 804 SD MET A 53 17.206 -26.285 1.041 1.00 72.30 S ATOM 805 CE MET A 53 15.728 -27.252 0.750 1.00 3.12 C ATOM 0 H MET A 53 15.501 -21.864 1.276 1.00 51.11 H new ATOM 0 HA MET A 53 13.997 -24.069 0.296 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.904 -23.637 2.618 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.144 -25.188 2.324 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.167 -24.503 -0.177 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.385 -23.899 0.930 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.005 -28.230 0.356 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.186 -27.379 1.687 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.092 -26.737 0.030 1.00 3.12 H new ATOM 815 N SER A 54 13.080 -22.729 3.163 1.00 2.33 N ATOM 816 CA SER A 54 12.006 -22.685 4.148 1.00 62.54 C ATOM 817 C SER A 54 10.661 -22.431 3.472 1.00 44.30 C ATOM 818 O SER A 54 9.704 -23.182 3.665 1.00 20.01 O ATOM 819 CB SER A 54 12.282 -21.597 5.186 1.00 71.54 C ATOM 820 OG SER A 54 11.133 -21.343 5.976 1.00 73.12 O ATOM 0 H SER A 54 13.806 -22.025 3.299 1.00 2.33 H new ATOM 0 HA SER A 54 11.965 -23.652 4.649 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.108 -21.903 5.828 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.592 -20.681 4.684 1.00 71.54 H new ATOM 0 HG SER A 54 11.336 -20.645 6.633 1.00 73.12 H new ATOM 826 N LEU A 55 10.596 -21.366 2.681 1.00 14.25 N ATOM 827 CA LEU A 55 9.369 -21.010 1.977 1.00 10.24 C ATOM 828 C LEU A 55 9.010 -22.070 0.940 1.00 75.25 C ATOM 829 O LEU A 55 7.837 -22.386 0.745 1.00 71.11 O ATOM 830 CB LEU A 55 9.525 -19.648 1.298 1.00 41.14 C ATOM 831 CG LEU A 55 9.111 -18.433 2.128 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.544 -17.146 1.444 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.607 -18.434 2.364 1.00 42.13 C ATOM 0 H LEU A 55 11.378 -20.734 2.511 1.00 14.25 H new ATOM 0 HA LEU A 55 8.562 -20.955 2.708 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.569 -19.526 1.008 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.938 -19.653 0.380 1.00 41.14 H new ATOM 0 HG LEU A 55 9.610 -18.492 3.095 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.241 -16.292 2.050 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.628 -17.142 1.329 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.074 -17.080 0.463 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.331 -17.562 2.957 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.088 -18.401 1.406 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.323 -19.340 2.899 1.00 42.13 H new ATOM 845 N GLU A 56 10.027 -22.615 0.281 1.00 54.04 N ATOM 846 CA GLU A 56 9.818 -23.640 -0.734 1.00 2.32 C ATOM 847 C GLU A 56 9.047 -24.825 -0.159 1.00 62.44 C ATOM 848 O GLU A 56 8.035 -25.249 -0.716 1.00 54.25 O ATOM 849 CB GLU A 56 11.159 -24.115 -1.297 1.00 1.43 C ATOM 850 CG GLU A 56 11.026 -25.185 -2.366 1.00 42.31 C ATOM 851 CD GLU A 56 12.306 -25.974 -2.565 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.267 -25.411 -3.130 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.348 -27.153 -2.155 1.00 62.11 O ATOM 0 H GLU A 56 11.004 -22.364 0.432 1.00 54.04 H new ATOM 0 HA GLU A 56 9.230 -23.201 -1.540 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.691 -23.260 -1.715 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.769 -24.503 -0.481 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.222 -25.868 -2.093 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.741 -24.718 -3.309 1.00 42.31 H new ATOM 860 N GLU A 57 9.535 -25.356 0.958 1.00 54.50 N ATOM 861 CA GLU A 57 8.893 -26.492 1.607 1.00 24.33 C ATOM 862 C GLU A 57 7.583 -26.073 2.267 1.00 63.24 C ATOM 863 O GLU A 57 6.637 -26.857 2.347 1.00 51.32 O ATOM 864 CB GLU A 57 9.828 -27.108 2.649 1.00 70.42 C ATOM 865 CG GLU A 57 10.055 -26.222 3.862 1.00 45.51 C ATOM 866 CD GLU A 57 10.903 -26.893 4.925 1.00 41.40 C ATOM 867 OE1 GLU A 57 11.184 -28.102 4.786 1.00 54.52 O ATOM 868 OE2 GLU A 57 11.287 -26.209 5.897 1.00 54.44 O ATOM 0 H GLU A 57 10.373 -25.017 1.432 1.00 54.50 H new ATOM 0 HA GLU A 57 8.672 -27.237 0.842 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.414 -28.061 2.978 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.789 -27.322 2.181 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.539 -25.298 3.546 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.092 -25.947 4.291 1.00 45.51 H new ATOM 875 N ARG A 58 7.536 -24.832 2.740 1.00 53.32 N ATOM 876 CA ARG A 58 6.344 -24.309 3.395 1.00 13.33 C ATOM 877 C ARG A 58 5.131 -24.404 2.474 1.00 74.53 C ATOM 878 O ARG A 58 4.117 -25.006 2.826 1.00 31.54 O ATOM 879 CB ARG A 58 6.564 -22.855 3.817 1.00 54.15 C ATOM 880 CG ARG A 58 5.367 -22.236 4.520 1.00 74.42 C ATOM 881 CD ARG A 58 5.461 -22.401 6.029 1.00 52.45 C ATOM 882 NE ARG A 58 6.673 -21.794 6.572 1.00 53.44 N ATOM 883 CZ ARG A 58 7.118 -22.017 7.804 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.455 -22.831 8.615 1.00 42.21 N ATOM 885 NH2 ARG A 58 8.229 -21.428 8.226 1.00 23.43 N ATOM 0 H ARG A 58 8.310 -24.170 2.682 1.00 53.32 H new ATOM 0 HA ARG A 58 6.153 -24.913 4.282 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.429 -22.805 4.478 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.803 -22.262 2.934 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.306 -21.176 4.272 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.450 -22.702 4.158 1.00 74.42 H new ATOM 0 HD2 ARG A 58 4.587 -21.948 6.498 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.443 -23.462 6.279 1.00 52.45 H new ATOM 0 HE ARG A 58 7.207 -21.165 5.973 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.601 -23.287 8.293 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.799 -23.000 9.560 1.00 42.21 H new ATOM 0 HH21 ARG A 58 8.743 -20.803 7.605 1.00 23.43 H new ATOM 0 HH22 ARG A 58 8.570 -21.600 9.172 1.00 23.43 H new ATOM 899 N PHE A 59 5.243 -23.804 1.293 1.00 13.35 N ATOM 900 CA PHE A 59 4.156 -23.820 0.322 1.00 45.43 C ATOM 901 C PHE A 59 4.380 -24.903 -0.729 1.00 63.14 C ATOM 902 O PHE A 59 3.694 -24.945 -1.750 1.00 53.21 O ATOM 903 CB PHE A 59 4.030 -22.454 -0.357 1.00 45.14 C ATOM 904 CG PHE A 59 3.570 -21.364 0.570 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.474 -20.700 1.381 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.232 -21.007 0.629 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.054 -19.696 2.235 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.807 -20.004 1.480 1.00 62.10 C ATOM 909 CZ PHE A 59 2.718 -19.349 2.285 1.00 34.21 C ATOM 0 H PHE A 59 6.076 -23.301 0.986 1.00 13.35 H new ATOM 0 HA PHE A 59 3.231 -24.041 0.854 1.00 45.43 H new ATOM 0 HB2 PHE A 59 4.996 -22.177 -0.780 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.329 -22.533 -1.188 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.519 -20.969 1.347 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.514 -21.518 0.004 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.770 -19.184 2.862 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.762 -19.733 1.515 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.387 -18.567 2.952 1.00 34.21 H new ATOM 919 N SER A 60 5.347 -25.778 -0.470 1.00 31.03 N ATOM 920 CA SER A 60 5.666 -26.860 -1.395 1.00 23.01 C ATOM 921 C SER A 60 5.884 -26.322 -2.806 1.00 74.45 C ATOM 922 O SER A 60 5.634 -27.015 -3.793 1.00 64.52 O ATOM 923 CB SER A 60 4.544 -27.901 -1.402 1.00 35.11 C ATOM 924 OG SER A 60 4.911 -29.041 -2.159 1.00 74.33 O ATOM 0 H SER A 60 5.923 -25.759 0.372 1.00 31.03 H new ATOM 0 HA SER A 60 6.589 -27.332 -1.058 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.313 -28.199 -0.379 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.638 -27.461 -1.818 1.00 35.11 H new ATOM 0 HG SER A 60 5.328 -28.756 -2.999 1.00 74.33 H new ATOM 930 N LEU A 61 6.352 -25.082 -2.893 1.00 21.40 N ATOM 931 CA LEU A 61 6.606 -24.449 -4.183 1.00 71.22 C ATOM 932 C LEU A 61 7.879 -24.998 -4.818 1.00 54.53 C ATOM 933 O LEU A 61 8.766 -25.494 -4.124 1.00 0.43 O ATOM 934 CB LEU A 61 6.719 -22.932 -4.016 1.00 74.25 C ATOM 935 CG LEU A 61 7.022 -22.137 -5.285 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.921 -22.336 -6.316 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.192 -20.661 -4.963 1.00 62.50 C ATOM 0 H LEU A 61 6.563 -24.495 -2.086 1.00 21.40 H new ATOM 0 HA LEU A 61 5.767 -24.674 -4.842 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.784 -22.563 -3.595 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.501 -22.724 -3.286 1.00 74.25 H new ATOM 0 HG LEU A 61 7.957 -22.506 -5.706 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.154 -21.762 -7.213 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.848 -23.393 -6.571 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.971 -21.995 -5.904 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.407 -20.111 -5.879 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.274 -20.278 -4.517 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.017 -20.534 -4.262 1.00 62.50 H new ATOM 949 N GLU A 62 7.962 -24.903 -6.142 1.00 64.11 N ATOM 950 CA GLU A 62 9.128 -25.390 -6.870 1.00 40.54 C ATOM 951 C GLU A 62 9.994 -24.227 -7.349 1.00 32.21 C ATOM 952 O GLU A 62 9.751 -23.655 -8.412 1.00 65.30 O ATOM 953 CB GLU A 62 8.692 -26.241 -8.064 1.00 3.23 C ATOM 954 CG GLU A 62 7.601 -25.600 -8.903 1.00 44.02 C ATOM 955 CD GLU A 62 7.725 -25.934 -10.378 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.496 -25.246 -11.079 1.00 33.24 O ATOM 957 OE2 GLU A 62 7.051 -26.884 -10.830 1.00 32.41 O ATOM 0 H GLU A 62 7.237 -24.494 -6.731 1.00 64.11 H new ATOM 0 HA GLU A 62 9.718 -26.005 -6.191 1.00 40.54 H new ATOM 0 HB2 GLU A 62 9.558 -26.435 -8.697 1.00 3.23 H new ATOM 0 HB3 GLU A 62 8.340 -27.207 -7.702 1.00 3.23 H new ATOM 0 HG2 GLU A 62 6.628 -25.931 -8.540 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.638 -24.518 -8.775 1.00 44.02 H new ATOM 964 N ILE A 63 11.004 -23.885 -6.557 1.00 12.34 N ATOM 965 CA ILE A 63 11.906 -22.793 -6.899 1.00 13.42 C ATOM 966 C ILE A 63 13.236 -23.321 -7.424 1.00 50.35 C ATOM 967 O ILE A 63 13.793 -24.277 -6.883 1.00 1.03 O ATOM 968 CB ILE A 63 12.172 -21.880 -5.688 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.854 -21.497 -5.012 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.934 -20.636 -6.119 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.035 -20.663 -3.763 1.00 31.30 C ATOM 0 H ILE A 63 11.218 -24.348 -5.674 1.00 12.34 H new ATOM 0 HA ILE A 63 11.414 -22.213 -7.680 1.00 13.42 H new ATOM 0 HB ILE A 63 12.783 -22.425 -4.968 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.238 -20.945 -5.722 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.309 -22.406 -4.756 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.114 -20.001 -5.252 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.887 -20.928 -6.559 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.347 -20.087 -6.855 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.059 -20.429 -3.337 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.624 -21.221 -3.035 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.552 -19.737 -4.015 1.00 31.30 H new ATOM 983 N SER A 64 13.742 -22.693 -8.481 1.00 62.12 N ATOM 984 CA SER A 64 15.006 -23.102 -9.081 1.00 24.42 C ATOM 985 C SER A 64 16.076 -22.034 -8.875 1.00 43.13 C ATOM 986 O SER A 64 15.765 -20.868 -8.627 1.00 51.43 O ATOM 987 CB SER A 64 14.822 -23.375 -10.575 1.00 11.30 C ATOM 988 OG SER A 64 13.600 -24.047 -10.823 1.00 62.42 O ATOM 0 H SER A 64 13.295 -21.899 -8.939 1.00 62.12 H new ATOM 0 HA SER A 64 15.333 -24.018 -8.590 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.842 -22.434 -11.125 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.653 -23.977 -10.943 1.00 11.30 H new ATOM 0 HG SER A 64 13.505 -24.209 -11.785 1.00 62.42 H new ATOM 994 N ASP A 65 17.336 -22.439 -8.981 1.00 62.34 N ATOM 995 CA ASP A 65 18.453 -21.517 -8.808 1.00 23.42 C ATOM 996 C ASP A 65 18.284 -20.287 -9.694 1.00 74.13 C ATOM 997 O ASP A 65 18.698 -19.187 -9.330 1.00 54.05 O ATOM 998 CB ASP A 65 19.775 -22.216 -9.132 1.00 52.11 C ATOM 999 CG ASP A 65 20.938 -21.649 -8.344 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.718 -21.203 -7.198 1.00 61.43 O ATOM 1001 OD2 ASP A 65 22.069 -21.651 -8.872 1.00 71.50 O ATOM 0 H ASP A 65 17.610 -23.400 -9.186 1.00 62.34 H new ATOM 0 HA ASP A 65 18.467 -21.194 -7.767 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.681 -23.281 -8.920 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.981 -22.120 -10.198 1.00 52.11 H new ATOM 1006 N GLU A 66 17.673 -20.482 -10.859 1.00 21.54 N ATOM 1007 CA GLU A 66 17.452 -19.387 -11.797 1.00 3.53 C ATOM 1008 C GLU A 66 16.319 -18.483 -11.320 1.00 44.45 C ATOM 1009 O GLU A 66 16.431 -17.257 -11.357 1.00 51.24 O ATOM 1010 CB GLU A 66 17.131 -19.936 -13.189 1.00 13.04 C ATOM 1011 CG GLU A 66 17.817 -19.182 -14.315 1.00 65.22 C ATOM 1012 CD GLU A 66 18.108 -20.062 -15.514 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.467 -21.127 -15.639 1.00 75.31 O ATOM 1014 OE2 GLU A 66 18.976 -19.685 -16.329 1.00 23.41 O ATOM 0 H GLU A 66 17.323 -21.386 -11.175 1.00 21.54 H new ATOM 0 HA GLU A 66 18.367 -18.796 -11.850 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.426 -20.985 -13.233 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.053 -19.901 -13.344 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.187 -18.348 -14.625 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.750 -18.756 -13.946 1.00 65.22 H new ATOM 1021 N ASP A 67 15.229 -19.097 -10.874 1.00 50.34 N ATOM 1022 CA ASP A 67 14.074 -18.349 -10.389 1.00 4.40 C ATOM 1023 C ASP A 67 14.478 -17.388 -9.274 1.00 63.04 C ATOM 1024 O ASP A 67 13.997 -16.258 -9.211 1.00 63.01 O ATOM 1025 CB ASP A 67 12.992 -19.306 -9.888 1.00 31.35 C ATOM 1026 CG ASP A 67 12.509 -20.252 -10.969 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.896 -20.060 -12.142 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.745 -21.184 -10.645 1.00 23.01 O ATOM 0 H ASP A 67 15.120 -20.111 -10.838 1.00 50.34 H new ATOM 0 HA ASP A 67 13.675 -17.767 -11.219 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.382 -19.885 -9.051 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.148 -18.729 -9.510 1.00 31.35 H new ATOM 1033 N ALA A 68 15.364 -17.848 -8.397 1.00 50.52 N ATOM 1034 CA ALA A 68 15.833 -17.030 -7.286 1.00 14.12 C ATOM 1035 C ALA A 68 16.726 -15.897 -7.777 1.00 75.14 C ATOM 1036 O ALA A 68 16.876 -14.877 -7.103 1.00 20.01 O ATOM 1037 CB ALA A 68 16.576 -17.890 -6.274 1.00 45.43 C ATOM 0 H ALA A 68 15.771 -18.782 -8.435 1.00 50.52 H new ATOM 0 HA ALA A 68 14.963 -16.587 -6.801 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.921 -17.266 -5.450 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.907 -18.661 -5.891 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.433 -18.360 -6.756 1.00 45.43 H new ATOM 1043 N GLN A 69 17.317 -16.081 -8.953 1.00 33.43 N ATOM 1044 CA GLN A 69 18.197 -15.074 -9.532 1.00 50.50 C ATOM 1045 C GLN A 69 17.443 -13.772 -9.783 1.00 42.43 C ATOM 1046 O GLN A 69 18.047 -12.710 -9.927 1.00 20.02 O ATOM 1047 CB GLN A 69 18.803 -15.587 -10.840 1.00 42.55 C ATOM 1048 CG GLN A 69 20.304 -15.376 -10.938 1.00 42.41 C ATOM 1049 CD GLN A 69 20.674 -13.939 -11.249 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.158 -13.210 -10.383 1.00 60.33 O ATOM 1051 NE2 GLN A 69 20.447 -13.525 -12.490 1.00 70.11 N ATOM 0 H GLN A 69 17.202 -16.919 -9.523 1.00 33.43 H new ATOM 0 HA GLN A 69 18.999 -14.877 -8.821 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.587 -16.651 -10.938 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.318 -15.084 -11.677 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.770 -15.672 -9.998 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.708 -16.027 -11.713 1.00 42.41 H new ATOM 0 HE21 GLN A 69 20.044 -14.164 -13.175 1.00 70.11 H new ATOM 0 HE22 GLN A 69 20.676 -12.568 -12.758 1.00 70.11 H new ATOM 1060 N LYS A 70 16.118 -13.862 -9.835 1.00 74.45 N ATOM 1061 CA LYS A 70 15.280 -12.693 -10.068 1.00 1.53 C ATOM 1062 C LYS A 70 14.489 -12.332 -8.814 1.00 1.43 C ATOM 1063 O LYS A 70 13.671 -11.410 -8.828 1.00 51.12 O ATOM 1064 CB LYS A 70 14.320 -12.950 -11.232 1.00 34.22 C ATOM 1065 CG LYS A 70 13.310 -14.051 -10.955 1.00 63.44 C ATOM 1066 CD LYS A 70 12.092 -13.928 -11.854 1.00 33.11 C ATOM 1067 CE LYS A 70 11.110 -12.895 -11.325 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.764 -13.038 -11.947 1.00 44.31 N ATOM 0 H LYS A 70 15.602 -14.734 -9.719 1.00 74.45 H new ATOM 0 HA LYS A 70 15.931 -11.856 -10.320 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.786 -12.028 -11.462 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.898 -13.213 -12.118 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.779 -15.023 -11.107 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.999 -14.007 -9.911 1.00 63.44 H new ATOM 0 HD2 LYS A 70 12.408 -13.650 -12.860 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.597 -14.896 -11.932 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.023 -12.998 -10.243 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.496 -11.894 -11.520 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.124 -12.315 -11.560 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.843 -12.915 -12.977 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.384 -13.984 -11.740 1.00 44.31 H new ATOM 1082 N LEU A 71 14.739 -13.061 -7.732 1.00 13.15 N ATOM 1083 CA LEU A 71 14.051 -12.816 -6.469 1.00 10.42 C ATOM 1084 C LEU A 71 15.022 -12.297 -5.413 1.00 61.30 C ATOM 1085 O LEU A 71 15.907 -13.022 -4.961 1.00 61.23 O ATOM 1086 CB LEU A 71 13.380 -14.099 -5.975 1.00 23.55 C ATOM 1087 CG LEU A 71 12.273 -14.662 -6.865 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.615 -15.864 -6.204 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.238 -13.589 -7.174 1.00 12.53 C ATOM 0 H LEU A 71 15.413 -13.826 -7.704 1.00 13.15 H new ATOM 0 HA LEU A 71 13.288 -12.056 -6.639 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.147 -14.864 -5.856 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.963 -13.909 -4.986 1.00 23.55 H new ATOM 0 HG LEU A 71 12.720 -14.989 -7.804 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.829 -16.251 -6.853 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.361 -16.640 -6.035 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.182 -15.563 -5.250 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.458 -14.008 -7.809 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.796 -13.231 -6.244 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.718 -12.758 -7.691 1.00 12.53 H new ATOM 1101 N GLU A 72 14.847 -11.038 -5.023 1.00 14.33 N ATOM 1102 CA GLU A 72 15.707 -10.423 -4.019 1.00 73.52 C ATOM 1103 C GLU A 72 14.887 -9.597 -3.032 1.00 43.43 C ATOM 1104 O GLU A 72 15.127 -9.633 -1.825 1.00 73.12 O ATOM 1105 CB GLU A 72 16.759 -9.537 -4.690 1.00 41.34 C ATOM 1106 CG GLU A 72 16.169 -8.471 -5.596 1.00 21.33 C ATOM 1107 CD GLU A 72 17.217 -7.793 -6.458 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.421 -7.992 -6.196 1.00 52.00 O ATOM 1109 OE2 GLU A 72 16.831 -7.064 -7.397 1.00 42.31 O ATOM 0 H GLU A 72 14.118 -10.425 -5.387 1.00 14.33 H new ATOM 0 HA GLU A 72 16.209 -11.220 -3.471 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.360 -9.055 -3.919 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.432 -10.165 -5.273 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.413 -8.923 -6.238 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.664 -7.721 -4.987 1.00 21.33 H new ATOM 1116 N THR A 73 13.916 -8.854 -3.554 1.00 72.44 N ATOM 1117 CA THR A 73 13.061 -8.018 -2.721 1.00 4.34 C ATOM 1118 C THR A 73 11.857 -8.801 -2.210 1.00 12.00 C ATOM 1119 O THR A 73 11.486 -9.828 -2.778 1.00 42.34 O ATOM 1120 CB THR A 73 12.565 -6.780 -3.490 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.160 -7.152 -4.812 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.653 -5.719 -3.568 1.00 4.33 C ATOM 0 H THR A 73 13.702 -8.814 -4.551 1.00 72.44 H new ATOM 0 HA THR A 73 13.665 -7.692 -1.874 1.00 4.34 H new ATOM 0 HB THR A 73 11.712 -6.365 -2.953 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.845 -6.359 -5.293 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.279 -4.854 -4.116 1.00 4.33 H new ATOM 0 HG22 THR A 73 13.938 -5.415 -2.561 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.523 -6.127 -4.083 1.00 4.33 H new ATOM 1130 N VAL A 74 11.249 -8.309 -1.136 1.00 44.25 N ATOM 1131 CA VAL A 74 10.085 -8.961 -0.549 1.00 71.10 C ATOM 1132 C VAL A 74 8.944 -9.059 -1.556 1.00 60.12 C ATOM 1133 O VAL A 74 8.415 -10.142 -1.807 1.00 22.51 O ATOM 1134 CB VAL A 74 9.589 -8.209 0.700 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.507 -9.008 1.410 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.749 -7.915 1.639 1.00 34.04 C ATOM 0 H VAL A 74 11.544 -7.460 -0.654 1.00 44.25 H new ATOM 0 HA VAL A 74 10.398 -9.964 -0.259 1.00 71.10 H new ATOM 0 HB VAL A 74 9.157 -7.259 0.384 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.169 -8.461 2.290 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.666 -9.163 0.734 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.909 -9.974 1.716 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.381 -7.383 2.516 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.212 -8.852 1.950 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.487 -7.299 1.124 1.00 34.04 H new ATOM 1146 N ASP A 75 8.571 -7.921 -2.131 1.00 22.54 N ATOM 1147 CA ASP A 75 7.494 -7.877 -3.112 1.00 40.14 C ATOM 1148 C ASP A 75 7.734 -8.890 -4.229 1.00 70.00 C ATOM 1149 O ASP A 75 6.844 -9.665 -4.577 1.00 42.53 O ATOM 1150 CB ASP A 75 7.368 -6.472 -3.702 1.00 63.23 C ATOM 1151 CG ASP A 75 6.137 -6.316 -4.572 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.042 -6.716 -4.125 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.269 -5.795 -5.699 1.00 1.32 O ATOM 0 H ASP A 75 8.999 -7.016 -1.934 1.00 22.54 H new ATOM 0 HA ASP A 75 6.564 -8.134 -2.604 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.331 -5.743 -2.892 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.257 -6.248 -4.292 1.00 63.23 H new ATOM 1158 N ASP A 76 8.940 -8.876 -4.783 1.00 53.01 N ATOM 1159 CA ASP A 76 9.297 -9.793 -5.860 1.00 32.13 C ATOM 1160 C ASP A 76 9.087 -11.242 -5.432 1.00 4.15 C ATOM 1161 O ASP A 76 8.446 -12.021 -6.137 1.00 73.03 O ATOM 1162 CB ASP A 76 10.753 -9.579 -6.279 1.00 73.52 C ATOM 1163 CG ASP A 76 10.905 -8.460 -7.292 1.00 1.45 C ATOM 1164 OD1 ASP A 76 9.878 -7.858 -7.669 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.051 -8.188 -7.707 1.00 14.20 O ATOM 0 H ASP A 76 9.688 -8.240 -4.505 1.00 53.01 H new ATOM 0 HA ASP A 76 8.647 -9.586 -6.710 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.352 -9.351 -5.397 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.146 -10.504 -6.701 1.00 73.52 H new ATOM 1170 N ILE A 77 9.631 -11.596 -4.272 1.00 33.41 N ATOM 1171 CA ILE A 77 9.502 -12.951 -3.750 1.00 42.01 C ATOM 1172 C ILE A 77 8.037 -13.326 -3.551 1.00 14.23 C ATOM 1173 O ILE A 77 7.564 -14.329 -4.088 1.00 4.43 O ATOM 1174 CB ILE A 77 10.247 -13.112 -2.412 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.732 -12.789 -2.589 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.068 -14.523 -1.873 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.395 -12.283 -1.326 1.00 0.20 C ATOM 0 H ILE A 77 10.165 -10.963 -3.676 1.00 33.41 H new ATOM 0 HA ILE A 77 9.949 -13.617 -4.488 1.00 42.01 H new ATOM 0 HB ILE A 77 9.825 -12.412 -1.691 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.252 -13.684 -2.929 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.842 -12.039 -3.373 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.600 -14.621 -0.927 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.008 -14.720 -1.715 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.468 -15.240 -2.590 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.446 -12.074 -1.525 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.900 -11.370 -0.996 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.317 -13.040 -0.546 1.00 0.20 H new ATOM 1189 N CYS A 78 7.324 -12.515 -2.778 1.00 61.25 N ATOM 1190 CA CYS A 78 5.912 -12.761 -2.509 1.00 2.14 C ATOM 1191 C CYS A 78 5.121 -12.871 -3.810 1.00 72.24 C ATOM 1192 O CYS A 78 4.204 -13.685 -3.923 1.00 42.05 O ATOM 1193 CB CYS A 78 5.334 -11.643 -1.640 1.00 33.40 C ATOM 1194 SG CYS A 78 3.795 -12.082 -0.799 1.00 42.35 S ATOM 0 H CYS A 78 7.700 -11.681 -2.326 1.00 61.25 H new ATOM 0 HA CYS A 78 5.830 -13.707 -1.974 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.075 -11.358 -0.893 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.157 -10.767 -2.264 1.00 33.40 H new ATOM 0 HG CYS A 78 3.125 -12.922 -1.531 1.00 42.35 H new ATOM 1200 N ARG A 79 5.482 -12.046 -4.787 1.00 42.12 N ATOM 1201 CA ARG A 79 4.806 -12.050 -6.078 1.00 32.51 C ATOM 1202 C ARG A 79 5.008 -13.381 -6.795 1.00 62.11 C ATOM 1203 O ARG A 79 4.062 -13.960 -7.328 1.00 54.33 O ATOM 1204 CB ARG A 79 5.322 -10.904 -6.951 1.00 34.14 C ATOM 1205 CG ARG A 79 4.417 -10.580 -8.129 1.00 33.33 C ATOM 1206 CD ARG A 79 5.209 -10.031 -9.305 1.00 43.34 C ATOM 1207 NE ARG A 79 4.461 -10.115 -10.556 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.326 -11.235 -11.258 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.886 -12.359 -10.833 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.629 -11.233 -12.387 1.00 72.00 N ATOM 0 H ARG A 79 6.239 -11.366 -4.709 1.00 42.12 H new ATOM 0 HA ARG A 79 3.739 -11.912 -5.901 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.436 -10.012 -6.335 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.313 -11.161 -7.325 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.883 -11.479 -8.437 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.666 -9.852 -7.823 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.474 -8.992 -9.110 1.00 43.34 H new ATOM 0 HD3 ARG A 79 6.143 -10.585 -9.403 1.00 43.34 H new ATOM 0 HE ARG A 79 4.018 -9.267 -10.911 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.422 -12.365 -9.965 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.781 -13.217 -11.374 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.196 -10.371 -12.717 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.526 -12.094 -12.925 1.00 72.00 H new ATOM 1224 N TYR A 80 6.247 -13.859 -6.805 1.00 65.34 N ATOM 1225 CA TYR A 80 6.575 -15.121 -7.458 1.00 50.23 C ATOM 1226 C TYR A 80 5.840 -16.283 -6.798 1.00 33.42 C ATOM 1227 O TYR A 80 5.364 -17.195 -7.474 1.00 3.40 O ATOM 1228 CB TYR A 80 8.083 -15.365 -7.414 1.00 55.12 C ATOM 1229 CG TYR A 80 8.489 -16.739 -7.899 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.513 -17.823 -7.030 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.847 -16.953 -9.224 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.883 -19.080 -7.467 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.218 -18.207 -9.670 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.234 -19.268 -8.788 1.00 53.44 C ATOM 1235 OH TYR A 80 9.604 -20.518 -9.228 1.00 12.11 O ATOM 0 H TYR A 80 7.041 -13.392 -6.368 1.00 65.34 H new ATOM 0 HA TYR A 80 6.255 -15.057 -8.498 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.582 -14.612 -8.023 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.434 -15.232 -6.391 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.238 -17.680 -5.995 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.835 -16.125 -9.917 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.897 -19.912 -6.778 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.494 -18.356 -10.703 1.00 4.04 H new ATOM 0 HH TYR A 80 10.537 -20.496 -9.528 1.00 12.11 H new ATOM 1245 N ILE A 81 5.751 -16.242 -5.473 1.00 75.45 N ATOM 1246 CA ILE A 81 5.074 -17.290 -4.721 1.00 44.21 C ATOM 1247 C ILE A 81 3.561 -17.186 -4.873 1.00 45.44 C ATOM 1248 O ILE A 81 2.860 -18.196 -4.925 1.00 63.42 O ATOM 1249 CB ILE A 81 5.433 -17.231 -3.224 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.945 -17.373 -3.034 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.693 -18.318 -2.458 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.397 -17.152 -1.608 1.00 20.45 C ATOM 0 H ILE A 81 6.139 -15.494 -4.898 1.00 75.45 H new ATOM 0 HA ILE A 81 5.414 -18.241 -5.131 1.00 44.21 H new ATOM 0 HB ILE A 81 5.125 -16.263 -2.830 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.251 -18.369 -3.354 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.453 -16.660 -3.683 1.00 21.53 H new ATOM 0 HG21 ILE A 81 4.957 -18.263 -1.402 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.618 -18.175 -2.571 1.00 70.44 H new ATOM 0 HG23 ILE A 81 4.973 -19.295 -2.852 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.479 -17.268 -1.547 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.122 -16.146 -1.291 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.917 -17.882 -0.957 1.00 20.45 H new ATOM 1264 N ALA A 82 3.062 -15.956 -4.947 1.00 24.44 N ATOM 1265 CA ALA A 82 1.632 -15.719 -5.097 1.00 74.32 C ATOM 1266 C ALA A 82 1.129 -16.229 -6.443 1.00 1.20 C ATOM 1267 O ALA A 82 0.095 -16.892 -6.520 1.00 72.43 O ATOM 1268 CB ALA A 82 1.324 -14.237 -4.944 1.00 50.42 C ATOM 0 H ALA A 82 3.628 -15.108 -4.905 1.00 24.44 H new ATOM 0 HA ALA A 82 1.113 -16.270 -4.312 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.252 -14.074 -5.058 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.639 -13.900 -3.956 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.860 -13.673 -5.708 1.00 50.42 H new ATOM 1274 N SER A 83 1.868 -15.915 -7.503 1.00 34.12 N ATOM 1275 CA SER A 83 1.495 -16.338 -8.847 1.00 43.14 C ATOM 1276 C SER A 83 1.294 -17.850 -8.905 1.00 54.13 C ATOM 1277 O SER A 83 0.541 -18.357 -9.736 1.00 22.31 O ATOM 1278 CB SER A 83 2.567 -15.917 -9.854 1.00 1.43 C ATOM 1279 OG SER A 83 2.500 -16.703 -11.030 1.00 10.43 O ATOM 0 H SER A 83 2.728 -15.369 -7.456 1.00 34.12 H new ATOM 0 HA SER A 83 0.554 -15.853 -9.105 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.438 -14.865 -10.108 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.554 -16.017 -9.402 1.00 1.43 H new ATOM 0 HG SER A 83 3.194 -16.413 -11.658 1.00 10.43 H new ATOM 1285 N LYS A 84 1.974 -18.566 -8.016 1.00 42.25 N ATOM 1286 CA LYS A 84 1.871 -20.019 -7.962 1.00 0.24 C ATOM 1287 C LYS A 84 0.689 -20.449 -7.101 1.00 65.15 C ATOM 1288 O LYS A 84 -0.146 -21.247 -7.529 1.00 0.04 O ATOM 1289 CB LYS A 84 3.165 -20.622 -7.410 1.00 70.24 C ATOM 1290 CG LYS A 84 4.404 -20.226 -8.193 1.00 52.41 C ATOM 1291 CD LYS A 84 4.748 -21.258 -9.252 1.00 32.14 C ATOM 1292 CE LYS A 84 6.186 -21.111 -9.728 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.677 -22.347 -10.398 1.00 51.04 N ATOM 0 H LYS A 84 2.603 -18.163 -7.322 1.00 42.25 H new ATOM 0 HA LYS A 84 1.711 -20.385 -8.976 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.287 -20.311 -6.372 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.078 -21.709 -7.409 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.242 -19.258 -8.667 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.245 -20.110 -7.510 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.598 -22.259 -8.848 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.071 -21.151 -10.099 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.256 -20.271 -10.419 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.828 -20.879 -8.878 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.717 -22.349 -10.404 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.332 -23.182 -9.883 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.326 -22.375 -11.376 1.00 51.04 H new