USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 Single : A 5 THR OG1 : rot 26:sc= 0.494 USER MOD Single : A 7 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 34 HIS : no HD1:sc= -0.348 X(o=-0.35,f=0.045) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.636 USER MOD Single : A 41 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 150:sc= -1.39 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -26:sc= 0.704 USER MOD Single : A 62 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.28) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.654 -6.926 -5.569 1.00 12.50 N ATOM 60 CA THR A 5 8.239 -6.588 -5.483 1.00 74.40 C ATOM 61 C THR A 5 7.815 -6.381 -4.032 1.00 33.20 C ATOM 62 O THR A 5 6.993 -5.517 -3.732 1.00 12.50 O ATOM 63 CB THR A 5 7.390 -7.689 -6.121 1.00 51.00 C ATOM 64 OG1 THR A 5 8.033 -8.214 -7.269 1.00 11.20 O ATOM 65 CG2 THR A 5 6.015 -7.217 -6.541 1.00 75.20 C ATOM 0 HA THR A 5 8.081 -5.656 -6.026 1.00 74.40 H new ATOM 0 HB THR A 5 7.275 -8.450 -5.349 1.00 51.00 H new ATOM 0 HG1 THR A 5 9.001 -8.087 -7.188 1.00 11.20 H new ATOM 0 HG21 THR A 5 5.466 -8.047 -6.986 1.00 75.20 H new ATOM 0 HG22 THR A 5 5.474 -6.850 -5.669 1.00 75.20 H new ATOM 0 HG23 THR A 5 6.113 -6.414 -7.271 1.00 75.20 H new ATOM 73 N LEU A 6 8.384 -7.181 -3.135 1.00 21.40 N ATOM 74 CA LEU A 6 8.066 -7.086 -1.715 1.00 43.40 C ATOM 75 C LEU A 6 8.710 -5.850 -1.095 1.00 62.30 C ATOM 76 O LEU A 6 8.131 -5.210 -0.217 1.00 2.14 O ATOM 77 CB LEU A 6 8.534 -8.344 -0.981 1.00 21.40 C ATOM 78 CG LEU A 6 7.472 -9.434 -0.823 1.00 31.10 C ATOM 79 CD1 LEU A 6 6.346 -8.954 0.078 1.00 11.10 C ATOM 80 CD2 LEU A 6 6.930 -9.849 -2.183 1.00 52.20 C ATOM 0 H LEU A 6 9.067 -7.902 -3.367 1.00 21.40 H new ATOM 0 HA LEU A 6 6.984 -6.998 -1.615 1.00 43.40 H new ATOM 0 HB2 LEU A 6 9.386 -8.763 -1.516 1.00 21.40 H new ATOM 0 HB3 LEU A 6 8.889 -8.058 0.009 1.00 21.40 H new ATOM 0 HG LEU A 6 7.936 -10.304 -0.358 1.00 31.10 H new ATOM 0 HD11 LEU A 6 5.600 -9.742 0.179 1.00 11.10 H new ATOM 0 HD12 LEU A 6 6.747 -8.706 1.061 1.00 11.10 H new ATOM 0 HD13 LEU A 6 5.883 -8.069 -0.359 1.00 11.10 H new ATOM 0 HD21 LEU A 6 6.176 -10.625 -2.053 1.00 52.20 H new ATOM 0 HD22 LEU A 6 6.481 -8.986 -2.675 1.00 52.20 H new ATOM 0 HD23 LEU A 6 7.744 -10.234 -2.797 1.00 52.20 H new ATOM 92 N GLN A 7 9.911 -5.519 -1.558 1.00 4.40 N ATOM 93 CA GLN A 7 10.634 -4.359 -1.047 1.00 41.10 C ATOM 94 C GLN A 7 9.992 -3.062 -1.529 1.00 74.40 C ATOM 95 O GLN A 7 10.034 -2.044 -0.839 1.00 70.50 O ATOM 96 CB GLN A 7 12.098 -4.411 -1.486 1.00 74.10 C ATOM 97 CG GLN A 7 13.041 -3.676 -0.547 1.00 44.40 C ATOM 98 CD GLN A 7 13.281 -4.431 0.746 1.00 41.30 C ATOM 99 OE1 GLN A 7 13.812 -5.541 0.741 1.00 3.33 O ATOM 100 NE2 GLN A 7 12.888 -3.830 1.863 1.00 2.41 N ATOM 0 H GLN A 7 10.404 -6.037 -2.285 1.00 4.40 H new ATOM 0 HA GLN A 7 10.587 -4.383 0.042 1.00 41.10 H new ATOM 0 HB2 GLN A 7 12.410 -5.453 -1.559 1.00 74.10 H new ATOM 0 HB3 GLN A 7 12.185 -3.982 -2.484 1.00 74.10 H new ATOM 0 HG2 GLN A 7 13.994 -3.512 -1.050 1.00 44.40 H new ATOM 0 HG3 GLN A 7 12.628 -2.694 -0.319 1.00 44.40 H new ATOM 0 HE21 GLN A 7 12.452 -2.909 1.820 1.00 2.41 H new ATOM 0 HE22 GLN A 7 13.022 -4.289 2.764 1.00 2.41 H new ATOM 109 N LYS A 8 9.397 -3.107 -2.717 1.00 12.10 N ATOM 110 CA LYS A 8 8.747 -1.935 -3.292 1.00 2.12 C ATOM 111 C LYS A 8 7.461 -1.602 -2.541 1.00 65.50 C ATOM 112 O LYS A 8 7.185 -0.440 -2.246 1.00 33.30 O ATOM 113 CB LYS A 8 8.439 -2.171 -4.771 1.00 64.10 C ATOM 114 CG LYS A 8 9.640 -1.972 -5.682 1.00 10.00 C ATOM 115 CD LYS A 8 9.574 -0.641 -6.416 1.00 44.40 C ATOM 116 CE LYS A 8 9.827 -0.811 -7.906 1.00 31.10 C ATOM 117 NZ LYS A 8 10.692 0.271 -8.450 1.00 45.30 N ATOM 0 H LYS A 8 9.352 -3.943 -3.300 1.00 12.10 H new ATOM 0 HA LYS A 8 9.430 -1.091 -3.200 1.00 2.12 H new ATOM 0 HB2 LYS A 8 8.062 -3.186 -4.898 1.00 64.10 H new ATOM 0 HB3 LYS A 8 7.643 -1.494 -5.080 1.00 64.10 H new ATOM 0 HG2 LYS A 8 10.556 -2.018 -5.092 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.686 -2.785 -6.406 1.00 10.00 H new ATOM 0 HD2 LYS A 8 8.595 -0.188 -6.262 1.00 44.40 H new ATOM 0 HD3 LYS A 8 10.311 0.043 -5.997 1.00 44.40 H new ATOM 0 HE2 LYS A 8 10.298 -1.777 -8.086 1.00 31.10 H new ATOM 0 HE3 LYS A 8 8.875 -0.816 -8.437 1.00 31.10 H new ATOM 0 HZ1 LYS A 8 10.840 0.118 -9.468 1.00 45.30 H new ATOM 0 HZ2 LYS A 8 10.231 1.191 -8.301 1.00 45.30 H new ATOM 0 HZ3 LYS A 8 11.610 0.260 -7.961 1.00 45.30 H new ATOM 131 N ALA A 9 6.677 -2.632 -2.236 1.00 32.00 N ATOM 132 CA ALA A 9 5.420 -2.449 -1.521 1.00 51.50 C ATOM 133 C ALA A 9 5.647 -1.803 -0.159 1.00 3.13 C ATOM 134 O ALA A 9 4.863 -0.961 0.278 1.00 32.20 O ATOM 135 CB ALA A 9 4.708 -3.785 -1.361 1.00 33.20 C ATOM 0 H ALA A 9 6.891 -3.601 -2.473 1.00 32.00 H new ATOM 0 HA ALA A 9 4.792 -1.779 -2.108 1.00 51.50 H new ATOM 0 HB1 ALA A 9 3.770 -3.636 -0.825 1.00 33.20 H new ATOM 0 HB2 ALA A 9 4.501 -4.207 -2.344 1.00 33.20 H new ATOM 0 HB3 ALA A 9 5.342 -4.470 -0.798 1.00 33.20 H new ATOM 141 N ILE A 10 6.726 -2.202 0.509 1.00 24.20 N ATOM 142 CA ILE A 10 7.054 -1.660 1.822 1.00 73.40 C ATOM 143 C ILE A 10 7.495 -0.203 1.722 1.00 44.10 C ATOM 144 O ILE A 10 7.298 0.580 2.652 1.00 52.40 O ATOM 145 CB ILE A 10 8.168 -2.478 2.505 1.00 41.30 C ATOM 146 CG1 ILE A 10 7.816 -3.967 2.500 1.00 51.40 C ATOM 147 CG2 ILE A 10 8.390 -1.987 3.929 1.00 45.10 C ATOM 148 CD1 ILE A 10 9.024 -4.874 2.575 1.00 21.30 C ATOM 0 H ILE A 10 7.386 -2.898 0.162 1.00 24.20 H new ATOM 0 HA ILE A 10 6.148 -1.721 2.425 1.00 73.40 H new ATOM 0 HB ILE A 10 9.093 -2.340 1.945 1.00 41.30 H new ATOM 0 HG12 ILE A 10 7.159 -4.180 3.344 1.00 51.40 H new ATOM 0 HG13 ILE A 10 7.255 -4.196 1.594 1.00 51.40 H new ATOM 0 HG21 ILE A 10 9.179 -2.575 4.398 1.00 45.10 H new ATOM 0 HG22 ILE A 10 8.682 -0.937 3.910 1.00 45.10 H new ATOM 0 HG23 ILE A 10 7.468 -2.098 4.500 1.00 45.10 H new ATOM 0 HD11 ILE A 10 8.699 -5.914 2.567 1.00 21.30 H new ATOM 0 HD12 ILE A 10 9.671 -4.690 1.718 1.00 21.30 H new ATOM 0 HD13 ILE A 10 9.574 -4.673 3.494 1.00 21.30 H new ATOM 160 N ASP A 11 8.094 0.154 0.591 1.00 71.40 N ATOM 161 CA ASP A 11 8.565 1.517 0.373 1.00 71.30 C ATOM 162 C ASP A 11 7.399 2.459 0.088 1.00 0.21 C ATOM 163 O ASP A 11 7.457 3.646 0.407 1.00 12.20 O ATOM 164 CB ASP A 11 9.563 1.553 -0.789 1.00 65.20 C ATOM 165 CG ASP A 11 11.002 1.510 -0.315 1.00 63.20 C ATOM 166 OD1 ASP A 11 11.537 0.394 -0.140 1.00 32.40 O ATOM 167 OD2 ASP A 11 11.596 2.591 -0.119 1.00 21.50 O ATOM 0 H ASP A 11 8.265 -0.481 -0.189 1.00 71.40 H new ATOM 0 HA ASP A 11 9.063 1.853 1.283 1.00 71.30 H new ATOM 0 HB2 ASP A 11 9.376 0.708 -1.452 1.00 65.20 H new ATOM 0 HB3 ASP A 11 9.403 2.458 -1.374 1.00 65.20 H new ATOM 172 N LEU A 12 6.344 1.923 -0.515 1.00 74.50 N ATOM 173 CA LEU A 12 5.166 2.718 -0.844 1.00 15.30 C ATOM 174 C LEU A 12 4.342 3.015 0.406 1.00 55.40 C ATOM 175 O LEU A 12 3.702 4.063 0.504 1.00 51.40 O ATOM 176 CB LEU A 12 4.304 1.988 -1.876 1.00 73.40 C ATOM 177 CG LEU A 12 4.641 2.298 -3.335 1.00 0.14 C ATOM 178 CD1 LEU A 12 4.395 3.768 -3.638 1.00 71.40 C ATOM 179 CD2 LEU A 12 6.084 1.923 -3.640 1.00 14.20 C ATOM 0 H LEU A 12 6.280 0.942 -0.786 1.00 74.50 H new ATOM 0 HA LEU A 12 5.504 3.664 -1.267 1.00 15.30 H new ATOM 0 HB2 LEU A 12 4.403 0.914 -1.716 1.00 73.40 H new ATOM 0 HB3 LEU A 12 3.259 2.241 -1.699 1.00 73.40 H new ATOM 0 HG LEU A 12 3.989 1.702 -3.974 1.00 0.14 H new ATOM 0 HD11 LEU A 12 4.640 3.971 -4.681 1.00 71.40 H new ATOM 0 HD12 LEU A 12 3.346 4.006 -3.459 1.00 71.40 H new ATOM 0 HD13 LEU A 12 5.022 4.383 -2.992 1.00 71.40 H new ATOM 0 HD21 LEU A 12 6.306 2.150 -4.683 1.00 14.20 H new ATOM 0 HD22 LEU A 12 6.752 2.492 -2.994 1.00 14.20 H new ATOM 0 HD23 LEU A 12 6.228 0.857 -3.462 1.00 14.20 H new ATOM 191 N VAL A 13 4.362 2.089 1.358 1.00 1.25 N ATOM 192 CA VAL A 13 3.616 2.253 2.600 1.00 45.50 C ATOM 193 C VAL A 13 4.348 3.185 3.561 1.00 75.50 C ATOM 194 O VAL A 13 3.722 3.887 4.356 1.00 14.10 O ATOM 195 CB VAL A 13 3.378 0.899 3.296 1.00 43.50 C ATOM 196 CG1 VAL A 13 2.472 1.070 4.506 1.00 25.10 C ATOM 197 CG2 VAL A 13 2.788 -0.108 2.320 1.00 54.30 C ATOM 0 H VAL A 13 4.887 1.217 1.293 1.00 1.25 H new ATOM 0 HA VAL A 13 2.653 2.691 2.336 1.00 45.50 H new ATOM 0 HB VAL A 13 4.339 0.517 3.641 1.00 43.50 H new ATOM 0 HG11 VAL A 13 2.316 0.103 4.983 1.00 25.10 H new ATOM 0 HG12 VAL A 13 2.938 1.754 5.215 1.00 25.10 H new ATOM 0 HG13 VAL A 13 1.512 1.476 4.187 1.00 25.10 H new ATOM 0 HG21 VAL A 13 2.627 -1.058 2.830 1.00 54.30 H new ATOM 0 HG22 VAL A 13 1.837 0.266 1.942 1.00 54.30 H new ATOM 0 HG23 VAL A 13 3.477 -0.255 1.488 1.00 54.30 H new ATOM 207 N THR A 14 5.674 3.184 3.485 1.00 51.40 N ATOM 208 CA THR A 14 6.491 4.028 4.349 1.00 30.20 C ATOM 209 C THR A 14 6.374 5.495 3.949 1.00 52.40 C ATOM 210 O THR A 14 6.362 6.383 4.801 1.00 45.10 O ATOM 211 CB THR A 14 7.954 3.587 4.291 1.00 42.30 C ATOM 212 OG1 THR A 14 8.061 2.183 4.445 1.00 2.44 O ATOM 213 CG2 THR A 14 8.816 4.232 5.356 1.00 54.30 C ATOM 0 H THR A 14 6.207 2.608 2.833 1.00 51.40 H new ATOM 0 HA THR A 14 6.125 3.920 5.370 1.00 30.20 H new ATOM 0 HB THR A 14 8.313 3.906 3.312 1.00 42.30 H new ATOM 0 HG1 THR A 14 8.102 1.759 3.562 1.00 2.44 H new ATOM 0 HG21 THR A 14 9.842 3.876 5.259 1.00 54.30 H new ATOM 0 HG22 THR A 14 8.795 5.315 5.235 1.00 54.30 H new ATOM 0 HG23 THR A 14 8.433 3.970 6.342 1.00 54.30 H new ATOM 221 N LYS A 15 6.290 5.743 2.645 1.00 71.20 N ATOM 222 CA LYS A 15 6.176 7.104 2.132 1.00 44.10 C ATOM 223 C LYS A 15 4.786 7.675 2.400 1.00 73.40 C ATOM 224 O LYS A 15 4.625 8.880 2.589 1.00 4.02 O ATOM 225 CB LYS A 15 6.475 7.131 0.630 1.00 23.20 C ATOM 226 CG LYS A 15 7.684 7.977 0.266 1.00 64.30 C ATOM 227 CD LYS A 15 8.850 7.119 -0.197 1.00 31.10 C ATOM 228 CE LYS A 15 10.176 7.653 0.318 1.00 40.00 C ATOM 229 NZ LYS A 15 11.254 7.543 -0.704 1.00 21.50 N ATOM 0 H LYS A 15 6.299 5.020 1.925 1.00 71.20 H new ATOM 0 HA LYS A 15 6.906 7.724 2.652 1.00 44.10 H new ATOM 0 HB2 LYS A 15 6.638 6.111 0.282 1.00 23.20 H new ATOM 0 HB3 LYS A 15 5.602 7.513 0.101 1.00 23.20 H new ATOM 0 HG2 LYS A 15 7.413 8.679 -0.522 1.00 64.30 H new ATOM 0 HG3 LYS A 15 7.988 8.569 1.130 1.00 64.30 H new ATOM 0 HD2 LYS A 15 8.710 6.095 0.150 1.00 31.10 H new ATOM 0 HD3 LYS A 15 8.869 7.086 -1.286 1.00 31.10 H new ATOM 0 HE2 LYS A 15 10.058 8.696 0.610 1.00 40.00 H new ATOM 0 HE3 LYS A 15 10.466 7.102 1.213 1.00 40.00 H new ATOM 0 HZ1 LYS A 15 12.142 7.918 -0.314 1.00 21.50 H new ATOM 0 HZ2 LYS A 15 11.385 6.545 -0.965 1.00 21.50 H new ATOM 0 HZ3 LYS A 15 10.989 8.090 -1.548 1.00 21.50 H new ATOM 243 N ALA A 16 3.785 6.801 2.414 1.00 65.10 N ATOM 244 CA ALA A 16 2.410 7.220 2.657 1.00 3.52 C ATOM 245 C ALA A 16 2.194 7.581 4.123 1.00 64.40 C ATOM 246 O ALA A 16 1.605 8.614 4.438 1.00 35.20 O ATOM 247 CB ALA A 16 1.443 6.123 2.235 1.00 23.30 C ATOM 0 H ALA A 16 3.900 5.799 2.260 1.00 65.10 H new ATOM 0 HA ALA A 16 2.218 8.111 2.059 1.00 3.52 H new ATOM 0 HB1 ALA A 16 0.420 6.448 2.422 1.00 23.30 H new ATOM 0 HB2 ALA A 16 1.570 5.915 1.172 1.00 23.30 H new ATOM 0 HB3 ALA A 16 1.646 5.218 2.808 1.00 23.30 H new ATOM 253 N THR A 17 2.673 6.721 5.016 1.00 33.20 N ATOM 254 CA THR A 17 2.531 6.950 6.450 1.00 4.31 C ATOM 255 C THR A 17 3.200 8.256 6.863 1.00 33.10 C ATOM 256 O THR A 17 2.629 9.049 7.612 1.00 33.20 O ATOM 257 CB THR A 17 3.134 5.784 7.235 1.00 11.20 C ATOM 258 OG1 THR A 17 3.053 6.024 8.629 1.00 42.40 O ATOM 259 CG2 THR A 17 4.587 5.523 6.898 1.00 0.22 C ATOM 0 H THR A 17 3.162 5.860 4.773 1.00 33.20 H new ATOM 0 HA THR A 17 1.467 7.022 6.677 1.00 4.31 H new ATOM 0 HB THR A 17 2.549 4.910 6.949 1.00 11.20 H new ATOM 0 HG1 THR A 17 3.442 5.267 9.114 1.00 42.40 H new ATOM 0 HG21 THR A 17 4.953 4.684 7.490 1.00 0.22 H new ATOM 0 HG22 THR A 17 4.678 5.286 5.838 1.00 0.22 H new ATOM 0 HG23 THR A 17 5.178 6.411 7.124 1.00 0.22 H new ATOM 267 N GLU A 18 4.416 8.476 6.371 1.00 71.50 N ATOM 268 CA GLU A 18 5.163 9.686 6.691 1.00 33.20 C ATOM 269 C GLU A 18 4.483 10.919 6.102 1.00 2.43 C ATOM 270 O GLU A 18 4.545 12.007 6.674 1.00 43.00 O ATOM 271 CB GLU A 18 6.595 9.580 6.163 1.00 45.00 C ATOM 272 CG GLU A 18 6.680 9.479 4.649 1.00 65.10 C ATOM 273 CD GLU A 18 8.103 9.307 4.156 1.00 15.40 C ATOM 274 OE1 GLU A 18 8.636 8.183 4.264 1.00 55.30 O ATOM 275 OE2 GLU A 18 8.684 10.295 3.660 1.00 4.34 O ATOM 0 H GLU A 18 4.904 7.831 5.749 1.00 71.50 H new ATOM 0 HA GLU A 18 5.188 9.791 7.776 1.00 33.20 H new ATOM 0 HB2 GLU A 18 7.160 10.452 6.493 1.00 45.00 H new ATOM 0 HB3 GLU A 18 7.072 8.705 6.604 1.00 45.00 H new ATOM 0 HG2 GLU A 18 6.078 8.636 4.310 1.00 65.10 H new ATOM 0 HG3 GLU A 18 6.251 10.377 4.204 1.00 65.10 H new ATOM 282 N GLU A 19 3.836 10.740 4.955 1.00 12.20 N ATOM 283 CA GLU A 19 3.145 11.839 4.289 1.00 3.25 C ATOM 284 C GLU A 19 1.892 12.244 5.060 1.00 64.40 C ATOM 285 O GLU A 19 1.581 13.428 5.181 1.00 15.00 O ATOM 286 CB GLU A 19 2.776 11.443 2.856 1.00 22.20 C ATOM 287 CG GLU A 19 3.614 12.141 1.799 1.00 74.10 C ATOM 288 CD GLU A 19 4.917 11.419 1.515 1.00 44.40 C ATOM 289 OE1 GLU A 19 4.907 10.477 0.696 1.00 71.10 O ATOM 290 OE2 GLU A 19 5.947 11.795 2.113 1.00 22.10 O ATOM 0 H GLU A 19 3.776 9.846 4.468 1.00 12.20 H new ATOM 0 HA GLU A 19 3.820 12.695 4.259 1.00 3.25 H new ATOM 0 HB2 GLU A 19 2.890 10.365 2.745 1.00 22.20 H new ATOM 0 HB3 GLU A 19 1.724 11.672 2.684 1.00 22.20 H new ATOM 0 HG2 GLU A 19 3.038 12.218 0.877 1.00 74.10 H new ATOM 0 HG3 GLU A 19 3.831 13.158 2.126 1.00 74.10 H new ATOM 297 N ASP A 20 1.176 11.251 5.579 1.00 2.22 N ATOM 298 CA ASP A 20 -0.046 11.504 6.339 1.00 63.10 C ATOM 299 C ASP A 20 0.211 12.486 7.478 1.00 52.30 C ATOM 300 O ASP A 20 -0.622 13.343 7.774 1.00 14.30 O ATOM 301 CB ASP A 20 -0.605 10.191 6.893 1.00 11.40 C ATOM 302 CG ASP A 20 -2.097 10.055 6.661 1.00 3.33 C ATOM 303 OD1 ASP A 20 -2.561 10.409 5.557 1.00 43.40 O ATOM 304 OD2 ASP A 20 -2.801 9.594 7.584 1.00 30.50 O ATOM 0 H ASP A 20 1.420 10.265 5.488 1.00 2.22 H new ATOM 0 HA ASP A 20 -0.779 11.948 5.665 1.00 63.10 H new ATOM 0 HB2 ASP A 20 -0.089 9.353 6.424 1.00 11.40 H new ATOM 0 HB3 ASP A 20 -0.399 10.134 7.962 1.00 11.40 H new ATOM 309 N LYS A 21 1.371 12.354 8.114 1.00 71.40 N ATOM 310 CA LYS A 21 1.740 13.229 9.221 1.00 73.40 C ATOM 311 C LYS A 21 2.145 14.613 8.715 1.00 32.10 C ATOM 312 O LYS A 21 2.078 15.596 9.453 1.00 61.50 O ATOM 313 CB LYS A 21 2.885 12.613 10.025 1.00 64.30 C ATOM 314 CG LYS A 21 2.423 11.606 11.066 1.00 70.10 C ATOM 315 CD LYS A 21 3.220 10.313 10.987 1.00 31.10 C ATOM 316 CE LYS A 21 2.459 9.151 11.605 1.00 44.10 C ATOM 317 NZ LYS A 21 2.902 8.874 12.999 1.00 51.20 N ATOM 0 H LYS A 21 2.071 11.650 7.882 1.00 71.40 H new ATOM 0 HA LYS A 21 0.869 13.340 9.867 1.00 73.40 H new ATOM 0 HB2 LYS A 21 3.577 12.123 9.340 1.00 64.30 H new ATOM 0 HB3 LYS A 21 3.439 13.409 10.522 1.00 64.30 H new ATOM 0 HG2 LYS A 21 2.527 12.038 12.062 1.00 70.10 H new ATOM 0 HG3 LYS A 21 1.364 11.391 10.920 1.00 70.10 H new ATOM 0 HD2 LYS A 21 3.447 10.087 9.945 1.00 31.10 H new ATOM 0 HD3 LYS A 21 4.173 10.440 11.501 1.00 31.10 H new ATOM 0 HE2 LYS A 21 1.392 9.373 11.601 1.00 44.10 H new ATOM 0 HE3 LYS A 21 2.601 8.259 10.995 1.00 44.10 H new ATOM 0 HZ1 LYS A 21 2.359 8.075 13.384 1.00 51.20 H new ATOM 0 HZ2 LYS A 21 3.915 8.637 13.001 1.00 51.20 H new ATOM 0 HZ3 LYS A 21 2.743 9.716 13.588 1.00 51.20 H new ATOM 331 N ALA A 22 2.567 14.682 7.456 1.00 3.23 N ATOM 332 CA ALA A 22 2.985 15.947 6.861 1.00 52.10 C ATOM 333 C ALA A 22 1.849 16.592 6.071 1.00 21.00 C ATOM 334 O ALA A 22 2.088 17.365 5.143 1.00 33.10 O ATOM 335 CB ALA A 22 4.195 15.731 5.964 1.00 42.10 C ATOM 0 H ALA A 22 2.628 13.879 6.830 1.00 3.23 H new ATOM 0 HA ALA A 22 3.257 16.625 7.670 1.00 52.10 H new ATOM 0 HB1 ALA A 22 4.497 16.682 5.526 1.00 42.10 H new ATOM 0 HB2 ALA A 22 5.017 15.325 6.554 1.00 42.10 H new ATOM 0 HB3 ALA A 22 3.938 15.031 5.169 1.00 42.10 H new ATOM 341 N LYS A 23 0.613 16.273 6.445 1.00 54.50 N ATOM 342 CA LYS A 23 -0.557 16.827 5.771 1.00 2.11 C ATOM 343 C LYS A 23 -0.526 16.519 4.275 1.00 13.20 C ATOM 344 O LYS A 23 -0.730 17.404 3.444 1.00 31.20 O ATOM 345 CB LYS A 23 -0.629 18.339 5.992 1.00 31.20 C ATOM 346 CG LYS A 23 -1.106 18.729 7.383 1.00 75.50 C ATOM 347 CD LYS A 23 -2.557 19.186 7.368 1.00 53.20 C ATOM 348 CE LYS A 23 -3.374 18.481 8.440 1.00 2.42 C ATOM 349 NZ LYS A 23 -4.632 19.216 8.751 1.00 14.20 N ATOM 0 H LYS A 23 0.396 15.634 7.210 1.00 54.50 H new ATOM 0 HA LYS A 23 -1.445 16.361 6.198 1.00 2.11 H new ATOM 0 HB2 LYS A 23 0.357 18.770 5.821 1.00 31.20 H new ATOM 0 HB3 LYS A 23 -1.300 18.775 5.252 1.00 31.20 H new ATOM 0 HG2 LYS A 23 -0.998 17.879 8.057 1.00 75.50 H new ATOM 0 HG3 LYS A 23 -0.476 19.528 7.774 1.00 75.50 H new ATOM 0 HD2 LYS A 23 -2.602 20.264 7.525 1.00 53.20 H new ATOM 0 HD3 LYS A 23 -2.992 18.988 6.388 1.00 53.20 H new ATOM 0 HE2 LYS A 23 -3.616 17.472 8.107 1.00 2.42 H new ATOM 0 HE3 LYS A 23 -2.777 18.383 9.347 1.00 2.42 H new ATOM 0 HZ1 LYS A 23 -5.161 18.704 9.486 1.00 14.20 H new ATOM 0 HZ2 LYS A 23 -4.401 20.171 9.093 1.00 14.20 H new ATOM 0 HZ3 LYS A 23 -5.214 19.287 7.892 1.00 14.20 H new ATOM 363 N ASN A 24 -0.272 15.258 3.940 1.00 3.40 N ATOM 364 CA ASN A 24 -0.216 14.833 2.546 1.00 55.40 C ATOM 365 C ASN A 24 -1.221 13.717 2.277 1.00 3.31 C ATOM 366 O ASN A 24 -0.895 12.712 1.645 1.00 2.43 O ATOM 367 CB ASN A 24 1.196 14.364 2.189 1.00 71.10 C ATOM 368 CG ASN A 24 2.163 15.520 2.020 1.00 72.00 C ATOM 369 OD1 ASN A 24 2.802 15.955 2.979 1.00 41.20 O ATOM 370 ND2 ASN A 24 2.276 16.024 0.796 1.00 51.10 N ATOM 0 H ASN A 24 -0.102 14.513 4.615 1.00 3.40 H new ATOM 0 HA ASN A 24 -0.474 15.688 1.921 1.00 55.40 H new ATOM 0 HB2 ASN A 24 1.563 13.698 2.970 1.00 71.10 H new ATOM 0 HB3 ASN A 24 1.161 13.785 1.266 1.00 71.10 H new ATOM 0 HD21 ASN A 24 2.912 16.802 0.622 1.00 51.10 H new ATOM 0 HD22 ASN A 24 1.727 15.632 0.031 1.00 51.10 H new ATOM 377 N TYR A 25 -2.445 13.902 2.763 1.00 41.10 N ATOM 378 CA TYR A 25 -3.502 12.912 2.578 1.00 60.10 C ATOM 379 C TYR A 25 -3.677 12.566 1.102 1.00 40.10 C ATOM 380 O TYR A 25 -3.991 11.427 0.755 1.00 55.10 O ATOM 381 CB TYR A 25 -4.821 13.433 3.150 1.00 64.50 C ATOM 382 CG TYR A 25 -4.874 13.421 4.661 1.00 35.30 C ATOM 383 CD1 TYR A 25 -4.236 14.404 5.406 1.00 63.20 C ATOM 384 CD2 TYR A 25 -5.562 12.424 5.343 1.00 1.12 C ATOM 385 CE1 TYR A 25 -4.282 14.396 6.788 1.00 53.50 C ATOM 386 CE2 TYR A 25 -5.612 12.410 6.724 1.00 40.30 C ATOM 387 CZ TYR A 25 -4.971 13.397 7.441 1.00 63.10 C ATOM 388 OH TYR A 25 -5.019 13.385 8.816 1.00 32.20 O ATOM 0 H TYR A 25 -2.730 14.729 3.288 1.00 41.10 H new ATOM 0 HA TYR A 25 -3.212 12.006 3.111 1.00 60.10 H new ATOM 0 HB2 TYR A 25 -4.983 14.452 2.797 1.00 64.50 H new ATOM 0 HB3 TYR A 25 -5.640 12.828 2.762 1.00 64.50 H new ATOM 0 HD1 TYR A 25 -3.695 15.188 4.897 1.00 63.20 H new ATOM 0 HD2 TYR A 25 -6.065 11.648 4.785 1.00 1.12 H new ATOM 0 HE1 TYR A 25 -3.781 15.168 7.352 1.00 53.50 H new ATOM 0 HE2 TYR A 25 -6.151 11.629 7.239 1.00 40.30 H new ATOM 0 HH TYR A 25 -5.545 12.615 9.118 1.00 32.20 H new ATOM 398 N GLU A 26 -3.472 13.555 0.238 1.00 11.10 N ATOM 399 CA GLU A 26 -3.607 13.354 -1.199 1.00 44.30 C ATOM 400 C GLU A 26 -2.518 12.422 -1.721 1.00 32.30 C ATOM 401 O GLU A 26 -2.790 11.509 -2.502 1.00 3.42 O ATOM 402 CB GLU A 26 -3.540 14.695 -1.932 1.00 55.00 C ATOM 403 CG GLU A 26 -4.832 15.493 -1.859 1.00 55.30 C ATOM 404 CD GLU A 26 -4.777 16.767 -2.680 1.00 23.10 C ATOM 405 OE1 GLU A 26 -4.453 16.684 -3.884 1.00 44.30 O ATOM 406 OE2 GLU A 26 -5.059 17.848 -2.120 1.00 24.40 O ATOM 0 H GLU A 26 -3.212 14.503 0.509 1.00 11.10 H new ATOM 0 HA GLU A 26 -4.577 12.894 -1.387 1.00 44.30 H new ATOM 0 HB2 GLU A 26 -2.730 15.290 -1.510 1.00 55.00 H new ATOM 0 HB3 GLU A 26 -3.292 14.516 -2.978 1.00 55.00 H new ATOM 0 HG2 GLU A 26 -5.658 14.874 -2.210 1.00 55.30 H new ATOM 0 HG3 GLU A 26 -5.042 15.744 -0.819 1.00 55.30 H new ATOM 413 N GLU A 27 -1.286 12.656 -1.284 1.00 74.20 N ATOM 414 CA GLU A 27 -0.155 11.838 -1.706 1.00 72.50 C ATOM 415 C GLU A 27 -0.236 10.444 -1.094 1.00 43.30 C ATOM 416 O GLU A 27 0.069 9.448 -1.752 1.00 75.40 O ATOM 417 CB GLU A 27 1.162 12.507 -1.308 1.00 22.20 C ATOM 418 CG GLU A 27 2.299 12.236 -2.280 1.00 71.40 C ATOM 419 CD GLU A 27 3.043 13.498 -2.673 1.00 53.50 C ATOM 420 OE1 GLU A 27 3.728 14.078 -1.805 1.00 73.10 O ATOM 421 OE2 GLU A 27 2.940 13.905 -3.850 1.00 64.10 O ATOM 0 H GLU A 27 -1.045 13.406 -0.637 1.00 74.20 H new ATOM 0 HA GLU A 27 -0.192 11.742 -2.791 1.00 72.50 H new ATOM 0 HB2 GLU A 27 1.006 13.583 -1.235 1.00 22.20 H new ATOM 0 HB3 GLU A 27 1.452 12.159 -0.316 1.00 22.20 H new ATOM 0 HG2 GLU A 27 2.998 11.532 -1.829 1.00 71.40 H new ATOM 0 HG3 GLU A 27 1.901 11.760 -3.176 1.00 71.40 H new ATOM 428 N ALA A 28 -0.648 10.379 0.167 1.00 64.10 N ATOM 429 CA ALA A 28 -0.769 9.106 0.868 1.00 12.20 C ATOM 430 C ALA A 28 -1.743 8.176 0.153 1.00 1.52 C ATOM 431 O ALA A 28 -1.583 6.956 0.177 1.00 71.30 O ATOM 432 CB ALA A 28 -1.213 9.335 2.306 1.00 42.30 C ATOM 0 H ALA A 28 -0.904 11.193 0.725 1.00 64.10 H new ATOM 0 HA ALA A 28 0.211 8.628 0.874 1.00 12.20 H new ATOM 0 HB1 ALA A 28 -1.299 8.376 2.817 1.00 42.30 H new ATOM 0 HB2 ALA A 28 -0.478 9.955 2.819 1.00 42.30 H new ATOM 0 HB3 ALA A 28 -2.180 9.838 2.313 1.00 42.30 H new ATOM 438 N LEU A 29 -2.753 8.762 -0.481 1.00 11.30 N ATOM 439 CA LEU A 29 -3.755 7.985 -1.203 1.00 33.40 C ATOM 440 C LEU A 29 -3.128 7.257 -2.388 1.00 14.10 C ATOM 441 O LEU A 29 -3.376 6.070 -2.601 1.00 43.00 O ATOM 442 CB LEU A 29 -4.884 8.896 -1.689 1.00 43.20 C ATOM 443 CG LEU A 29 -6.195 8.181 -2.020 1.00 12.50 C ATOM 444 CD1 LEU A 29 -7.089 8.110 -0.792 1.00 70.40 C ATOM 445 CD2 LEU A 29 -6.912 8.886 -3.162 1.00 63.00 C ATOM 0 H LEU A 29 -2.900 9.771 -0.510 1.00 11.30 H new ATOM 0 HA LEU A 29 -4.166 7.242 -0.519 1.00 33.40 H new ATOM 0 HB2 LEU A 29 -5.080 9.646 -0.923 1.00 43.20 H new ATOM 0 HB3 LEU A 29 -4.544 9.429 -2.577 1.00 43.20 H new ATOM 0 HG LEU A 29 -5.963 7.164 -2.335 1.00 12.50 H new ATOM 0 HD11 LEU A 29 -8.017 7.598 -1.047 1.00 70.40 H new ATOM 0 HD12 LEU A 29 -6.578 7.562 -0.001 1.00 70.40 H new ATOM 0 HD13 LEU A 29 -7.314 9.119 -0.447 1.00 70.40 H new ATOM 0 HD21 LEU A 29 -7.843 8.364 -3.385 1.00 63.00 H new ATOM 0 HD22 LEU A 29 -7.132 9.914 -2.874 1.00 63.00 H new ATOM 0 HD23 LEU A 29 -6.275 8.886 -4.047 1.00 63.00 H new ATOM 457 N ARG A 30 -2.317 7.977 -3.157 1.00 33.10 N ATOM 458 CA ARG A 30 -1.655 7.399 -4.320 1.00 3.23 C ATOM 459 C ARG A 30 -0.529 6.461 -3.897 1.00 63.40 C ATOM 460 O ARG A 30 -0.246 5.471 -4.573 1.00 22.20 O ATOM 461 CB ARG A 30 -1.103 8.505 -5.221 1.00 33.20 C ATOM 462 CG ARG A 30 -2.075 8.952 -6.302 1.00 62.00 C ATOM 463 CD ARG A 30 -3.159 9.856 -5.737 1.00 2.12 C ATOM 464 NE ARG A 30 -2.895 11.267 -6.013 1.00 34.20 N ATOM 465 CZ ARG A 30 -3.719 12.256 -5.670 1.00 12.10 C ATOM 466 NH1 ARG A 30 -4.857 11.993 -5.040 1.00 3.03 N ATOM 467 NH2 ARG A 30 -3.401 13.510 -5.958 1.00 72.30 N ATOM 0 H ARG A 30 -2.103 8.961 -2.995 1.00 33.10 H new ATOM 0 HA ARG A 30 -2.393 6.821 -4.876 1.00 3.23 H new ATOM 0 HB2 ARG A 30 -0.837 9.364 -4.606 1.00 33.20 H new ATOM 0 HB3 ARG A 30 -0.185 8.154 -5.692 1.00 33.20 H new ATOM 0 HG2 ARG A 30 -1.532 9.480 -7.086 1.00 62.00 H new ATOM 0 HG3 ARG A 30 -2.533 8.078 -6.765 1.00 62.00 H new ATOM 0 HD2 ARG A 30 -4.122 9.577 -6.164 1.00 2.12 H new ATOM 0 HD3 ARG A 30 -3.232 9.705 -4.660 1.00 2.12 H new ATOM 0 HE ARG A 30 -2.030 11.508 -6.496 1.00 34.20 H new ATOM 0 HH11 ARG A 30 -5.105 11.029 -4.816 1.00 3.03 H new ATOM 0 HH12 ARG A 30 -5.484 12.755 -4.780 1.00 3.03 H new ATOM 0 HH21 ARG A 30 -2.527 13.716 -6.441 1.00 72.30 H new ATOM 0 HH22 ARG A 30 -4.030 14.269 -5.696 1.00 72.30 H new ATOM 481 N LEU A 31 0.109 6.779 -2.776 1.00 12.10 N ATOM 482 CA LEU A 31 1.206 5.965 -2.264 1.00 21.40 C ATOM 483 C LEU A 31 0.691 4.632 -1.729 1.00 13.40 C ATOM 484 O LEU A 31 1.263 3.578 -2.006 1.00 74.10 O ATOM 485 CB LEU A 31 1.955 6.719 -1.161 1.00 2.31 C ATOM 486 CG LEU A 31 3.221 7.444 -1.619 1.00 2.31 C ATOM 487 CD1 LEU A 31 4.303 6.445 -1.997 1.00 63.40 C ATOM 488 CD2 LEU A 31 2.913 8.367 -2.790 1.00 32.20 C ATOM 0 H LEU A 31 -0.114 7.594 -2.205 1.00 12.10 H new ATOM 0 HA LEU A 31 1.892 5.763 -3.086 1.00 21.40 H new ATOM 0 HB2 LEU A 31 1.278 7.448 -0.716 1.00 2.31 H new ATOM 0 HB3 LEU A 31 2.223 6.012 -0.376 1.00 2.31 H new ATOM 0 HG LEU A 31 3.588 8.050 -0.791 1.00 2.31 H new ATOM 0 HD11 LEU A 31 5.196 6.980 -2.320 1.00 63.40 H new ATOM 0 HD12 LEU A 31 4.544 5.826 -1.133 1.00 63.40 H new ATOM 0 HD13 LEU A 31 3.946 5.812 -2.809 1.00 63.40 H new ATOM 0 HD21 LEU A 31 3.825 8.875 -3.103 1.00 32.20 H new ATOM 0 HD22 LEU A 31 2.520 7.781 -3.621 1.00 32.20 H new ATOM 0 HD23 LEU A 31 2.172 9.107 -2.485 1.00 32.20 H new ATOM 500 N TYR A 32 -0.394 4.687 -0.961 1.00 3.25 N ATOM 501 CA TYR A 32 -0.986 3.484 -0.387 1.00 53.10 C ATOM 502 C TYR A 32 -1.590 2.601 -1.474 1.00 33.20 C ATOM 503 O TYR A 32 -1.446 1.379 -1.446 1.00 31.40 O ATOM 504 CB TYR A 32 -2.057 3.859 0.639 1.00 24.20 C ATOM 505 CG TYR A 32 -1.576 3.789 2.071 1.00 22.10 C ATOM 506 CD1 TYR A 32 -1.247 2.572 2.654 1.00 11.00 C ATOM 507 CD2 TYR A 32 -1.450 4.940 2.839 1.00 63.50 C ATOM 508 CE1 TYR A 32 -0.807 2.504 3.962 1.00 10.30 C ATOM 509 CE2 TYR A 32 -1.010 4.880 4.147 1.00 32.10 C ATOM 510 CZ TYR A 32 -0.690 3.659 4.704 1.00 2.42 C ATOM 511 OH TYR A 32 -0.252 3.596 6.007 1.00 73.30 O ATOM 0 H TYR A 32 -0.880 5.551 -0.722 1.00 3.25 H new ATOM 0 HA TYR A 32 -0.196 2.922 0.112 1.00 53.10 H new ATOM 0 HB2 TYR A 32 -2.408 4.870 0.432 1.00 24.20 H new ATOM 0 HB3 TYR A 32 -2.912 3.193 0.519 1.00 24.20 H new ATOM 0 HD1 TYR A 32 -1.337 1.664 2.076 1.00 11.00 H new ATOM 0 HD2 TYR A 32 -1.700 5.897 2.406 1.00 63.50 H new ATOM 0 HE1 TYR A 32 -0.556 1.550 4.401 1.00 10.30 H new ATOM 0 HE2 TYR A 32 -0.917 5.784 4.731 1.00 32.10 H new ATOM 0 HH TYR A 32 -0.225 4.499 6.387 1.00 73.30 H new ATOM 521 N GLN A 33 -2.266 3.228 -2.431 1.00 41.30 N ATOM 522 CA GLN A 33 -2.894 2.499 -3.527 1.00 74.00 C ATOM 523 C GLN A 33 -1.850 1.768 -4.365 1.00 42.30 C ATOM 524 O GLN A 33 -2.114 0.694 -4.905 1.00 70.40 O ATOM 525 CB GLN A 33 -3.695 3.456 -4.411 1.00 43.20 C ATOM 526 CG GLN A 33 -5.057 3.817 -3.840 1.00 71.20 C ATOM 527 CD GLN A 33 -6.181 3.011 -4.459 1.00 32.00 C ATOM 528 OE1 GLN A 33 -6.127 1.782 -4.505 1.00 3.14 O ATOM 529 NE2 GLN A 33 -7.208 3.701 -4.941 1.00 51.10 N ATOM 0 H GLN A 33 -2.393 4.239 -2.470 1.00 41.30 H new ATOM 0 HA GLN A 33 -3.570 1.760 -3.097 1.00 74.00 H new ATOM 0 HB2 GLN A 33 -3.119 4.369 -4.558 1.00 43.20 H new ATOM 0 HB3 GLN A 33 -3.831 3.003 -5.393 1.00 43.20 H new ATOM 0 HG2 GLN A 33 -5.049 3.655 -2.762 1.00 71.20 H new ATOM 0 HG3 GLN A 33 -5.245 4.879 -4.001 1.00 71.20 H new ATOM 0 HE21 GLN A 33 -7.211 4.719 -4.882 1.00 51.10 H new ATOM 0 HE22 GLN A 33 -7.994 3.213 -5.371 1.00 51.10 H new ATOM 538 N HIS A 34 -0.663 2.359 -4.470 1.00 54.30 N ATOM 539 CA HIS A 34 0.421 1.763 -5.243 1.00 42.00 C ATOM 540 C HIS A 34 0.993 0.541 -4.531 1.00 34.40 C ATOM 541 O HIS A 34 1.282 -0.477 -5.159 1.00 71.40 O ATOM 542 CB HIS A 34 1.527 2.792 -5.484 1.00 35.20 C ATOM 543 CG HIS A 34 1.407 3.504 -6.796 1.00 13.30 C ATOM 544 ND1 HIS A 34 2.308 3.340 -7.827 1.00 72.00 N ATOM 545 CD2 HIS A 34 0.483 4.388 -7.243 1.00 13.30 C ATOM 546 CE1 HIS A 34 1.944 4.093 -8.851 1.00 32.40 C ATOM 547 NE2 HIS A 34 0.840 4.738 -8.521 1.00 43.10 N ATOM 0 H HIS A 34 -0.428 3.249 -4.030 1.00 54.30 H new ATOM 0 HA HIS A 34 0.015 1.443 -6.203 1.00 42.00 H new ATOM 0 HB2 HIS A 34 1.510 3.526 -4.679 1.00 35.20 H new ATOM 0 HB3 HIS A 34 2.494 2.291 -5.439 1.00 35.20 H new ATOM 0 HD2 HIS A 34 -0.375 4.750 -6.696 1.00 13.30 H new ATOM 0 HE1 HIS A 34 2.461 4.168 -9.796 1.00 32.40 H new ATOM 0 HE2 HIS A 34 0.334 5.391 -9.119 1.00 43.10 H new ATOM 556 N ALA A 35 1.154 0.650 -3.217 1.00 1.42 N ATOM 557 CA ALA A 35 1.692 -0.447 -2.420 1.00 1.33 C ATOM 558 C ALA A 35 0.801 -1.681 -2.506 1.00 52.20 C ATOM 559 O ALA A 35 1.285 -2.812 -2.476 1.00 65.00 O ATOM 560 CB ALA A 35 1.858 -0.012 -0.971 1.00 4.21 C ATOM 0 H ALA A 35 0.920 1.486 -2.681 1.00 1.42 H new ATOM 0 HA ALA A 35 2.669 -0.711 -2.824 1.00 1.33 H new ATOM 0 HB1 ALA A 35 2.260 -0.839 -0.387 1.00 4.21 H new ATOM 0 HB2 ALA A 35 2.543 0.834 -0.921 1.00 4.21 H new ATOM 0 HB3 ALA A 35 0.889 0.281 -0.566 1.00 4.21 H new ATOM 566 N VAL A 36 -0.505 -1.455 -2.613 1.00 40.50 N ATOM 567 CA VAL A 36 -1.464 -2.549 -2.703 1.00 5.55 C ATOM 568 C VAL A 36 -1.346 -3.275 -4.040 1.00 22.40 C ATOM 569 O VAL A 36 -1.553 -4.486 -4.120 1.00 41.30 O ATOM 570 CB VAL A 36 -2.910 -2.047 -2.531 1.00 22.50 C ATOM 571 CG1 VAL A 36 -3.881 -3.217 -2.467 1.00 50.30 C ATOM 572 CG2 VAL A 36 -3.031 -1.178 -1.286 1.00 24.10 C ATOM 0 H VAL A 36 -0.922 -0.525 -2.639 1.00 40.50 H new ATOM 0 HA VAL A 36 -1.230 -3.241 -1.894 1.00 5.55 H new ATOM 0 HB VAL A 36 -3.167 -1.439 -3.398 1.00 22.50 H new ATOM 0 HG11 VAL A 36 -4.897 -2.841 -2.345 1.00 50.30 H new ATOM 0 HG12 VAL A 36 -3.816 -3.795 -3.389 1.00 50.30 H new ATOM 0 HG13 VAL A 36 -3.627 -3.855 -1.621 1.00 50.30 H new ATOM 0 HG21 VAL A 36 -4.060 -0.833 -1.182 1.00 24.10 H new ATOM 0 HG22 VAL A 36 -2.753 -1.760 -0.408 1.00 24.10 H new ATOM 0 HG23 VAL A 36 -2.367 -0.318 -1.377 1.00 24.10 H new ATOM 582 N GLU A 37 -1.014 -2.526 -5.087 1.00 55.20 N ATOM 583 CA GLU A 37 -0.871 -3.098 -6.421 1.00 51.40 C ATOM 584 C GLU A 37 0.366 -3.987 -6.502 1.00 73.30 C ATOM 585 O GLU A 37 0.374 -4.993 -7.212 1.00 43.10 O ATOM 586 CB GLU A 37 -0.782 -1.986 -7.467 1.00 2.11 C ATOM 587 CG GLU A 37 -2.133 -1.398 -7.845 1.00 42.00 C ATOM 588 CD GLU A 37 -2.691 -1.992 -9.123 1.00 52.40 C ATOM 589 OE1 GLU A 37 -2.989 -3.205 -9.133 1.00 23.30 O ATOM 590 OE2 GLU A 37 -2.828 -1.245 -10.110 1.00 72.40 O ATOM 0 H GLU A 37 -0.839 -1.522 -5.037 1.00 55.20 H new ATOM 0 HA GLU A 37 -1.750 -3.710 -6.623 1.00 51.40 H new ATOM 0 HB2 GLU A 37 -0.142 -1.190 -7.086 1.00 2.11 H new ATOM 0 HB3 GLU A 37 -0.302 -2.379 -8.363 1.00 2.11 H new ATOM 0 HG2 GLU A 37 -2.839 -1.567 -7.032 1.00 42.00 H new ATOM 0 HG3 GLU A 37 -2.035 -0.319 -7.963 1.00 42.00 H new ATOM 597 N TYR A 38 1.411 -3.609 -5.773 1.00 60.10 N ATOM 598 CA TYR A 38 2.654 -4.372 -5.764 1.00 62.20 C ATOM 599 C TYR A 38 2.491 -5.673 -4.983 1.00 44.00 C ATOM 600 O TYR A 38 3.137 -6.675 -5.287 1.00 53.50 O ATOM 601 CB TYR A 38 3.784 -3.537 -5.158 1.00 35.40 C ATOM 602 CG TYR A 38 4.551 -2.726 -6.177 1.00 4.40 C ATOM 603 CD1 TYR A 38 4.047 -1.523 -6.656 1.00 65.00 C ATOM 604 CD2 TYR A 38 5.778 -3.163 -6.659 1.00 33.20 C ATOM 605 CE1 TYR A 38 4.747 -0.779 -7.588 1.00 23.40 C ATOM 606 CE2 TYR A 38 6.484 -2.422 -7.589 1.00 62.30 C ATOM 607 CZ TYR A 38 5.963 -1.232 -8.050 1.00 45.00 C ATOM 608 OH TYR A 38 6.661 -0.493 -8.977 1.00 24.20 O ATOM 0 H TYR A 38 1.422 -2.779 -5.181 1.00 60.10 H new ATOM 0 HA TYR A 38 2.906 -4.619 -6.795 1.00 62.20 H new ATOM 0 HB2 TYR A 38 3.366 -2.863 -4.410 1.00 35.40 H new ATOM 0 HB3 TYR A 38 4.476 -4.200 -4.638 1.00 35.40 H new ATOM 0 HD1 TYR A 38 3.095 -1.164 -6.295 1.00 65.00 H new ATOM 0 HD2 TYR A 38 6.187 -4.096 -6.302 1.00 33.20 H new ATOM 0 HE1 TYR A 38 4.342 0.154 -7.952 1.00 23.40 H new ATOM 0 HE2 TYR A 38 7.438 -2.774 -7.952 1.00 62.30 H new ATOM 0 HH TYR A 38 6.459 0.458 -8.856 1.00 24.20 H new ATOM 618 N PHE A 39 1.625 -5.649 -3.976 1.00 34.00 N ATOM 619 CA PHE A 39 1.380 -6.825 -3.151 1.00 53.20 C ATOM 620 C PHE A 39 0.583 -7.875 -3.919 1.00 34.40 C ATOM 621 O PHE A 39 0.893 -9.065 -3.868 1.00 35.20 O ATOM 622 CB PHE A 39 0.630 -6.432 -1.877 1.00 44.20 C ATOM 623 CG PHE A 39 1.535 -6.002 -0.757 1.00 42.10 C ATOM 624 CD1 PHE A 39 2.470 -6.878 -0.229 1.00 30.10 C ATOM 625 CD2 PHE A 39 1.448 -4.723 -0.232 1.00 20.40 C ATOM 626 CE1 PHE A 39 3.303 -6.484 0.801 1.00 0.02 C ATOM 627 CE2 PHE A 39 2.279 -4.324 0.799 1.00 12.20 C ATOM 628 CZ PHE A 39 3.208 -5.207 1.315 1.00 44.20 C ATOM 0 H PHE A 39 1.081 -4.828 -3.712 1.00 34.00 H new ATOM 0 HA PHE A 39 2.345 -7.254 -2.881 1.00 53.20 H new ATOM 0 HB2 PHE A 39 -0.061 -5.621 -2.107 1.00 44.20 H new ATOM 0 HB3 PHE A 39 0.029 -7.278 -1.543 1.00 44.20 H new ATOM 0 HD1 PHE A 39 2.549 -7.879 -0.627 1.00 30.10 H new ATOM 0 HD2 PHE A 39 0.723 -4.030 -0.632 1.00 20.40 H new ATOM 0 HE1 PHE A 39 4.028 -7.176 1.204 1.00 0.02 H new ATOM 0 HE2 PHE A 39 2.202 -3.324 1.200 1.00 12.20 H new ATOM 0 HZ PHE A 39 3.859 -4.898 2.120 1.00 44.20 H new ATOM 638 N LEU A 40 -0.446 -7.426 -4.631 1.00 71.50 N ATOM 639 CA LEU A 40 -1.287 -8.328 -5.410 1.00 62.30 C ATOM 640 C LEU A 40 -0.491 -8.981 -6.536 1.00 51.40 C ATOM 641 O LEU A 40 -0.581 -10.180 -6.752 1.00 64.40 O ATOM 642 CB LEU A 40 -2.484 -7.568 -5.988 1.00 12.10 C ATOM 643 CG LEU A 40 -3.732 -7.559 -5.104 1.00 60.30 C ATOM 644 CD1 LEU A 40 -4.529 -6.281 -5.320 1.00 14.10 C ATOM 645 CD2 LEU A 40 -4.594 -8.781 -5.388 1.00 53.10 C ATOM 0 H LEU A 40 -0.717 -6.444 -4.685 1.00 71.50 H new ATOM 0 HA LEU A 40 -1.649 -9.113 -4.746 1.00 62.30 H new ATOM 0 HB2 LEU A 40 -2.184 -6.537 -6.177 1.00 12.10 H new ATOM 0 HB3 LEU A 40 -2.743 -8.007 -6.952 1.00 12.10 H new ATOM 0 HG LEU A 40 -3.417 -7.595 -4.061 1.00 60.30 H new ATOM 0 HD11 LEU A 40 -5.413 -6.292 -4.683 1.00 14.10 H new ATOM 0 HD12 LEU A 40 -3.911 -5.420 -5.068 1.00 14.10 H new ATOM 0 HD13 LEU A 40 -4.835 -6.215 -6.364 1.00 14.10 H new ATOM 0 HD21 LEU A 40 -5.478 -8.759 -4.750 1.00 53.10 H new ATOM 0 HD22 LEU A 40 -4.901 -8.775 -6.434 1.00 53.10 H new ATOM 0 HD23 LEU A 40 -4.021 -9.686 -5.183 1.00 53.10 H new ATOM 657 N HIS A 41 0.286 -8.174 -7.250 1.00 11.50 N ATOM 658 CA HIS A 41 1.097 -8.675 -8.354 1.00 51.40 C ATOM 659 C HIS A 41 2.141 -9.670 -7.857 1.00 30.50 C ATOM 660 O HIS A 41 2.522 -10.590 -8.574 1.00 3.23 O ATOM 661 CB HIS A 41 1.785 -7.515 -9.076 1.00 35.10 C ATOM 662 CG HIS A 41 2.315 -7.881 -10.420 1.00 60.50 C ATOM 663 ND1 HIS A 41 1.930 -7.240 -11.580 1.00 13.10 N ATOM 664 CD2 HIS A 41 3.205 -8.831 -10.800 1.00 54.50 C ATOM 665 CE1 HIS A 41 2.560 -7.779 -12.610 1.00 52.20 C ATOM 666 NE2 HIS A 41 3.339 -8.746 -12.160 1.00 44.10 N ATOM 0 H HIS A 41 0.372 -7.171 -7.084 1.00 11.50 H new ATOM 0 HA HIS A 41 0.436 -9.189 -9.052 1.00 51.40 H new ATOM 0 HB2 HIS A 41 1.076 -6.694 -9.185 1.00 35.10 H new ATOM 0 HB3 HIS A 41 2.605 -7.148 -8.458 1.00 35.10 H new ATOM 0 HD2 HIS A 41 3.714 -9.527 -10.150 1.00 54.50 H new ATOM 0 HE1 HIS A 41 2.455 -7.480 -13.642 1.00 52.20 H new ATOM 0 HE2 HIS A 41 3.943 -9.335 -12.733 1.00 44.10 H new ATOM 675 N ALA A 42 2.602 -9.473 -6.626 1.00 34.30 N ATOM 676 CA ALA A 42 3.603 -10.350 -6.035 1.00 42.40 C ATOM 677 C ALA A 42 3.032 -11.740 -5.783 1.00 11.10 C ATOM 678 O ALA A 42 3.725 -12.740 -5.943 1.00 44.20 O ATOM 679 CB ALA A 42 4.131 -9.754 -4.740 1.00 3.40 C ATOM 0 H ALA A 42 2.297 -8.712 -6.019 1.00 34.30 H new ATOM 0 HA ALA A 42 4.428 -10.445 -6.741 1.00 42.40 H new ATOM 0 HB1 ALA A 42 4.878 -10.421 -4.310 1.00 3.40 H new ATOM 0 HB2 ALA A 42 4.585 -8.784 -4.944 1.00 3.40 H new ATOM 0 HB3 ALA A 42 3.309 -9.628 -4.035 1.00 3.40 H new ATOM 685 N ILE A 43 1.764 -11.790 -5.386 1.00 54.50 N ATOM 686 CA ILE A 43 1.102 -13.060 -5.110 1.00 2.23 C ATOM 687 C ILE A 43 0.792 -13.810 -6.401 1.00 62.10 C ATOM 688 O ILE A 43 1.011 -15.020 -6.495 1.00 75.10 O ATOM 689 CB ILE A 43 -0.208 -12.850 -4.324 1.00 63.20 C ATOM 690 CG1 ILE A 43 0.039 -11.970 -3.101 1.00 70.00 C ATOM 691 CG2 ILE A 43 -0.794 -14.190 -3.904 1.00 12.30 C ATOM 692 CD1 ILE A 43 -1.191 -11.210 -2.642 1.00 60.30 C ATOM 0 H ILE A 43 1.176 -10.968 -5.249 1.00 54.50 H new ATOM 0 HA ILE A 43 1.790 -13.652 -4.506 1.00 2.23 H new ATOM 0 HB ILE A 43 -0.924 -12.346 -4.973 1.00 63.20 H new ATOM 0 HG12 ILE A 43 0.398 -12.593 -2.282 1.00 70.00 H new ATOM 0 HG13 ILE A 43 0.832 -11.258 -3.330 1.00 70.00 H new ATOM 0 HG21 ILE A 43 -1.718 -14.025 -3.350 1.00 12.30 H new ATOM 0 HG22 ILE A 43 -1.004 -14.789 -4.790 1.00 12.30 H new ATOM 0 HG23 ILE A 43 -0.080 -14.717 -3.270 1.00 12.30 H new ATOM 0 HD11 ILE A 43 -0.941 -10.606 -1.770 1.00 60.30 H new ATOM 0 HD12 ILE A 43 -1.538 -10.560 -3.445 1.00 60.30 H new ATOM 0 HD13 ILE A 43 -1.979 -11.917 -2.381 1.00 60.30 H new ATOM 704 N LYS A 44 0.280 -13.090 -7.392 1.00 21.20 N ATOM 705 CA LYS A 44 -0.060 -13.690 -8.677 1.00 22.40 C ATOM 706 C LYS A 44 1.169 -14.320 -9.330 1.00 0.33 C ATOM 707 O LYS A 44 1.150 -15.480 -9.719 1.00 31.30 O ATOM 708 CB LYS A 44 -0.668 -12.640 -9.609 1.00 24.10 C ATOM 709 CG LYS A 44 -1.709 -13.200 -10.560 1.00 22.40 C ATOM 710 CD LYS A 44 -1.088 -13.620 -11.880 1.00 34.10 C ATOM 711 CE LYS A 44 -1.979 -14.600 -12.630 1.00 74.10 C ATOM 712 NZ LYS A 44 -1.185 -15.580 -13.410 1.00 63.00 N ATOM 0 H LYS A 44 0.091 -12.090 -7.331 1.00 21.20 H new ATOM 0 HA LYS A 44 -0.794 -14.476 -8.499 1.00 22.40 H new ATOM 0 HB2 LYS A 44 -1.124 -11.853 -9.008 1.00 24.10 H new ATOM 0 HB3 LYS A 44 0.130 -12.176 -10.189 1.00 24.10 H new ATOM 0 HG2 LYS A 44 -2.201 -14.057 -10.099 1.00 22.40 H new ATOM 0 HG3 LYS A 44 -2.479 -12.450 -10.741 1.00 22.40 H new ATOM 0 HD2 LYS A 44 -0.914 -12.739 -12.498 1.00 34.10 H new ATOM 0 HD3 LYS A 44 -0.116 -14.078 -11.696 1.00 34.10 H new ATOM 0 HE2 LYS A 44 -2.615 -15.130 -11.920 1.00 74.10 H new ATOM 0 HE3 LYS A 44 -2.639 -14.051 -13.301 1.00 74.10 H new ATOM 0 HZ1 LYS A 44 -1.827 -16.230 -13.907 1.00 63.00 H new ATOM 0 HZ2 LYS A 44 -0.597 -15.076 -14.104 1.00 63.00 H new ATOM 0 HZ3 LYS A 44 -0.573 -16.122 -12.767 1.00 63.00 H new ATOM 726 N TYR A 45 2.235 -13.530 -9.447 1.00 22.40 N ATOM 727 CA TYR A 45 3.471 -14.010 -10.050 1.00 4.54 C ATOM 728 C TYR A 45 4.275 -14.850 -9.066 1.00 14.00 C ATOM 729 O TYR A 45 4.485 -16.040 -9.281 1.00 73.50 O ATOM 730 CB TYR A 45 4.315 -12.830 -10.530 1.00 1.14 C ATOM 731 CG TYR A 45 3.851 -12.250 -11.850 1.00 63.20 C ATOM 732 CD1 TYR A 45 2.545 -11.810 -12.020 1.00 22.40 C ATOM 733 CD2 TYR A 45 4.720 -12.150 -12.930 1.00 1.15 C ATOM 734 CE1 TYR A 45 2.117 -11.280 -13.220 1.00 44.50 C ATOM 735 CE2 TYR A 45 4.302 -11.620 -14.140 1.00 44.40 C ATOM 736 CZ TYR A 45 2.999 -11.190 -14.280 1.00 60.10 C ATOM 737 OH TYR A 45 2.577 -10.670 -15.480 1.00 11.50 O ATOM 0 H TYR A 45 2.265 -12.560 -9.133 1.00 22.40 H new ATOM 0 HA TYR A 45 3.207 -14.638 -10.901 1.00 4.54 H new ATOM 0 HB2 TYR A 45 4.295 -12.047 -9.772 1.00 1.14 H new ATOM 0 HB3 TYR A 45 5.352 -13.152 -10.628 1.00 1.14 H new ATOM 0 HD1 TYR A 45 1.850 -11.884 -11.196 1.00 22.40 H new ATOM 0 HD2 TYR A 45 5.739 -12.491 -12.824 1.00 1.15 H new ATOM 0 HE1 TYR A 45 1.099 -10.938 -13.330 1.00 44.50 H new ATOM 0 HE2 TYR A 45 4.992 -11.544 -14.968 1.00 44.40 H new ATOM 0 HH TYR A 45 3.320 -10.677 -16.119 1.00 11.50 H new ATOM 747 N GLU A 46 4.720 -14.220 -7.985 1.00 21.40 N ATOM 748 CA GLU A 46 5.500 -14.910 -6.965 1.00 32.10 C ATOM 749 C GLU A 46 4.590 -15.520 -5.905 1.00 3.41 C ATOM 750 O GLU A 46 4.326 -14.910 -4.871 1.00 34.50 O ATOM 751 CB GLU A 46 6.490 -13.940 -6.309 1.00 44.30 C ATOM 752 CG GLU A 46 7.783 -13.780 -7.089 1.00 54.30 C ATOM 753 CD GLU A 46 8.854 -14.760 -6.659 1.00 32.00 C ATOM 754 OE1 GLU A 46 8.780 -15.940 -7.071 1.00 61.00 O ATOM 755 OE2 GLU A 46 9.768 -14.350 -5.911 1.00 33.10 O ATOM 0 H GLU A 46 4.554 -13.232 -7.792 1.00 21.40 H new ATOM 0 HA GLU A 46 6.055 -15.715 -7.448 1.00 32.10 H new ATOM 0 HB2 GLU A 46 6.015 -12.965 -6.203 1.00 44.30 H new ATOM 0 HB3 GLU A 46 6.722 -14.293 -5.304 1.00 44.30 H new ATOM 0 HG2 GLU A 46 7.580 -13.914 -8.151 1.00 54.30 H new ATOM 0 HG3 GLU A 46 8.155 -12.763 -6.962 1.00 54.30 H new ATOM 762 N ALA A 47 4.113 -16.730 -6.169 1.00 41.40 N ATOM 763 CA ALA A 47 3.232 -17.430 -5.236 1.00 52.40 C ATOM 764 C ALA A 47 4.030 -18.290 -4.268 1.00 14.40 C ATOM 765 O ALA A 47 4.730 -19.220 -4.679 1.00 34.20 O ATOM 766 CB ALA A 47 2.222 -18.270 -5.996 1.00 34.00 C ATOM 0 H ALA A 47 4.320 -17.249 -7.022 1.00 41.40 H new ATOM 0 HA ALA A 47 2.694 -16.684 -4.651 1.00 52.40 H new ATOM 0 HB1 ALA A 47 1.572 -18.786 -5.289 1.00 34.00 H new ATOM 0 HB2 ALA A 47 1.621 -17.625 -6.637 1.00 34.00 H new ATOM 0 HB3 ALA A 47 2.746 -19.003 -6.609 1.00 34.00 H new ATOM 772 N HIS A 48 3.919 -17.990 -2.980 1.00 1.12 N ATOM 773 CA HIS A 48 4.630 -18.740 -1.952 1.00 54.40 C ATOM 774 C HIS A 48 3.670 -19.630 -1.167 1.00 75.30 C ATOM 775 O HIS A 48 2.517 -19.810 -1.560 1.00 10.30 O ATOM 776 CB HIS A 48 5.356 -17.780 -1.002 1.00 73.30 C ATOM 777 CG HIS A 48 6.847 -17.860 -1.097 1.00 15.10 C ATOM 778 ND1 HIS A 48 7.617 -16.880 -1.695 1.00 32.30 N ATOM 779 CD2 HIS A 48 7.713 -18.810 -0.664 1.00 65.20 C ATOM 780 CE1 HIS A 48 8.891 -17.230 -1.625 1.00 1.24 C ATOM 781 NE2 HIS A 48 8.976 -18.390 -1.005 1.00 12.20 N ATOM 0 H HIS A 48 3.341 -17.230 -2.621 1.00 1.12 H new ATOM 0 HA HIS A 48 5.366 -19.378 -2.442 1.00 54.40 H new ATOM 0 HB2 HIS A 48 5.040 -16.759 -1.219 1.00 73.30 H new ATOM 0 HB3 HIS A 48 5.053 -17.997 0.022 1.00 73.30 H new ATOM 0 HD2 HIS A 48 7.458 -19.724 -0.148 1.00 65.20 H new ATOM 0 HE1 HIS A 48 9.723 -16.660 -2.012 1.00 1.24 H new ATOM 0 HE2 HIS A 48 9.841 -18.895 -0.810 1.00 12.20 H new ATOM 790 N SER A 49 4.151 -20.170 -0.055 1.00 3.43 N ATOM 791 CA SER A 49 3.335 -21.040 0.783 1.00 42.40 C ATOM 792 C SER A 49 2.142 -20.280 1.356 1.00 54.00 C ATOM 793 O SER A 49 2.014 -19.080 1.165 1.00 44.10 O ATOM 794 CB SER A 49 4.176 -21.630 1.919 1.00 43.10 C ATOM 795 OG SER A 49 3.819 -22.980 2.177 1.00 45.40 O ATOM 0 H SER A 49 5.100 -20.022 0.288 1.00 3.43 H new ATOM 0 HA SER A 49 2.960 -21.853 0.162 1.00 42.40 H new ATOM 0 HB2 SER A 49 5.233 -21.574 1.659 1.00 43.10 H new ATOM 0 HB3 SER A 49 4.039 -21.036 2.823 1.00 43.10 H new ATOM 0 HG SER A 49 4.373 -23.331 2.905 1.00 45.40 H new ATOM 801 N ASP A 50 1.273 -21.000 2.059 1.00 64.20 N ATOM 802 CA ASP A 50 0.089 -20.400 2.660 1.00 52.10 C ATOM 803 C ASP A 50 0.477 -19.290 3.638 1.00 62.30 C ATOM 804 O ASP A 50 -0.227 -18.290 3.772 1.00 52.30 O ATOM 805 CB ASP A 50 -0.744 -21.460 3.378 1.00 15.30 C ATOM 806 CG ASP A 50 -1.811 -22.060 2.483 1.00 1.24 C ATOM 807 OD1 ASP A 50 -1.460 -22.560 1.394 1.00 34.00 O ATOM 808 OD2 ASP A 50 -2.998 -22.030 2.870 1.00 54.40 O ATOM 0 H ASP A 50 1.368 -22.002 2.226 1.00 64.20 H new ATOM 0 HA ASP A 50 -0.509 -19.964 1.860 1.00 52.10 H new ATOM 0 HB2 ASP A 50 -0.087 -22.252 3.737 1.00 15.30 H new ATOM 0 HB3 ASP A 50 -1.216 -21.015 4.254 1.00 15.30 H new ATOM 813 N LYS A 51 1.601 -19.480 4.321 1.00 73.50 N ATOM 814 CA LYS A 51 2.082 -18.500 5.289 1.00 1.53 C ATOM 815 C LYS A 51 2.341 -17.160 4.618 1.00 62.40 C ATOM 816 O LYS A 51 1.849 -16.120 5.069 1.00 60.40 O ATOM 817 CB LYS A 51 3.360 -19.010 5.964 1.00 3.14 C ATOM 818 CG LYS A 51 3.158 -19.420 7.415 1.00 53.20 C ATOM 819 CD LYS A 51 4.289 -18.920 8.301 1.00 54.30 C ATOM 820 CE LYS A 51 4.724 -19.980 9.300 1.00 15.20 C ATOM 821 NZ LYS A 51 6.197 -19.960 9.518 1.00 41.00 N ATOM 0 H LYS A 51 2.196 -20.303 4.223 1.00 73.50 H new ATOM 0 HA LYS A 51 1.312 -18.359 6.047 1.00 1.53 H new ATOM 0 HB2 LYS A 51 3.742 -19.863 5.403 1.00 3.14 H new ATOM 0 HB3 LYS A 51 4.122 -18.232 5.917 1.00 3.14 H new ATOM 0 HG2 LYS A 51 2.209 -19.024 7.777 1.00 53.20 H new ATOM 0 HG3 LYS A 51 3.096 -20.506 7.481 1.00 53.20 H new ATOM 0 HD2 LYS A 51 5.138 -18.632 7.681 1.00 54.30 H new ATOM 0 HD3 LYS A 51 3.967 -18.026 8.835 1.00 54.30 H new ATOM 0 HE2 LYS A 51 4.213 -19.817 10.249 1.00 15.20 H new ATOM 0 HE3 LYS A 51 4.423 -20.964 8.941 1.00 15.20 H new ATOM 0 HZ1 LYS A 51 6.456 -20.696 10.205 1.00 41.00 H new ATOM 0 HZ2 LYS A 51 6.684 -20.140 8.617 1.00 41.00 H new ATOM 0 HZ3 LYS A 51 6.481 -19.029 9.884 1.00 41.00 H new ATOM 835 N ALA A 52 3.120 -17.180 3.541 1.00 14.40 N ATOM 836 CA ALA A 52 3.446 -15.960 2.810 1.00 71.40 C ATOM 837 C ALA A 52 2.254 -15.470 1.995 1.00 72.20 C ATOM 838 O ALA A 52 2.074 -14.270 1.800 1.00 42.40 O ATOM 839 CB ALA A 52 4.646 -16.190 1.904 1.00 23.50 C ATOM 0 H ALA A 52 3.537 -18.027 3.155 1.00 14.40 H new ATOM 0 HA ALA A 52 3.696 -15.189 3.538 1.00 71.40 H new ATOM 0 HB1 ALA A 52 4.877 -15.271 1.365 1.00 23.50 H new ATOM 0 HB2 ALA A 52 5.506 -16.483 2.506 1.00 23.50 H new ATOM 0 HB3 ALA A 52 4.417 -16.981 1.190 1.00 23.50 H new ATOM 845 N LYS A 53 1.442 -16.410 1.520 1.00 50.20 N ATOM 846 CA LYS A 53 0.268 -16.070 0.724 1.00 32.40 C ATOM 847 C LYS A 53 -0.800 -15.400 1.583 1.00 54.50 C ATOM 848 O LYS A 53 -1.374 -14.380 1.194 1.00 15.50 O ATOM 849 CB LYS A 53 -0.306 -17.330 0.068 1.00 74.50 C ATOM 850 CG LYS A 53 -1.182 -17.040 -1.139 1.00 2.40 C ATOM 851 CD LYS A 53 -1.076 -18.140 -2.181 1.00 60.10 C ATOM 852 CE LYS A 53 -2.157 -18.010 -3.242 1.00 30.50 C ATOM 853 NZ LYS A 53 -3.446 -18.610 -2.796 1.00 33.40 N ATOM 0 H LYS A 53 1.575 -17.410 1.672 1.00 50.20 H new ATOM 0 HA LYS A 53 0.575 -15.368 -0.051 1.00 32.40 H new ATOM 0 HB2 LYS A 53 0.516 -17.978 -0.237 1.00 74.50 H new ATOM 0 HB3 LYS A 53 -0.889 -17.881 0.806 1.00 74.50 H new ATOM 0 HG2 LYS A 53 -2.219 -16.938 -0.821 1.00 2.40 H new ATOM 0 HG3 LYS A 53 -0.889 -16.088 -1.582 1.00 2.40 H new ATOM 0 HD2 LYS A 53 -0.095 -18.101 -2.654 1.00 60.10 H new ATOM 0 HD3 LYS A 53 -1.157 -19.112 -1.695 1.00 60.10 H new ATOM 0 HE2 LYS A 53 -2.309 -16.957 -3.479 1.00 30.50 H new ATOM 0 HE3 LYS A 53 -1.827 -18.498 -4.159 1.00 30.50 H new ATOM 0 HZ1 LYS A 53 -4.158 -18.501 -3.547 1.00 33.40 H new ATOM 0 HZ2 LYS A 53 -3.307 -19.621 -2.594 1.00 33.40 H new ATOM 0 HZ3 LYS A 53 -3.774 -18.127 -1.935 1.00 33.40 H new ATOM 867 N GLU A 54 -1.063 -15.980 2.750 1.00 75.40 N ATOM 868 CA GLU A 54 -2.064 -15.440 3.663 1.00 1.31 C ATOM 869 C GLU A 54 -1.601 -14.110 4.259 1.00 53.30 C ATOM 870 O GLU A 54 -2.401 -13.200 4.463 1.00 4.41 O ATOM 871 CB GLU A 54 -2.356 -16.440 4.782 1.00 10.10 C ATOM 872 CG GLU A 54 -3.765 -16.330 5.341 1.00 11.00 C ATOM 873 CD GLU A 54 -3.791 -15.830 6.772 1.00 52.00 C ATOM 874 OE1 GLU A 54 -3.704 -14.600 6.971 1.00 61.50 O ATOM 875 OE2 GLU A 54 -3.898 -16.670 7.693 1.00 15.30 O ATOM 0 H GLU A 54 -0.597 -16.823 3.085 1.00 75.40 H new ATOM 0 HA GLU A 54 -2.978 -15.263 3.096 1.00 1.31 H new ATOM 0 HB2 GLU A 54 -2.201 -17.451 4.405 1.00 10.10 H new ATOM 0 HB3 GLU A 54 -1.640 -16.288 5.590 1.00 10.10 H new ATOM 0 HG2 GLU A 54 -4.348 -15.655 4.714 1.00 11.00 H new ATOM 0 HG3 GLU A 54 -4.247 -17.306 5.293 1.00 11.00 H new ATOM 882 N SER A 55 -0.305 -14.010 4.539 1.00 41.20 N ATOM 883 CA SER A 55 0.264 -12.800 5.115 1.00 1.03 C ATOM 884 C SER A 55 0.089 -11.610 4.171 1.00 74.00 C ATOM 885 O SER A 55 -0.340 -10.540 4.585 1.00 5.10 O ATOM 886 CB SER A 55 1.748 -13.010 5.424 1.00 30.30 C ATOM 887 OG SER A 55 2.438 -13.520 4.300 1.00 51.20 O ATOM 0 H SER A 55 0.371 -14.756 4.375 1.00 41.20 H new ATOM 0 HA SER A 55 -0.267 -12.583 6.042 1.00 1.03 H new ATOM 0 HB2 SER A 55 2.196 -12.065 5.730 1.00 30.30 H new ATOM 0 HB3 SER A 55 1.854 -13.699 6.262 1.00 30.30 H new ATOM 0 HG SER A 55 3.368 -13.212 4.320 1.00 51.20 H new ATOM 893 N ILE A 56 0.429 -11.820 2.902 1.00 12.10 N ATOM 894 CA ILE A 56 0.312 -10.760 1.902 1.00 51.30 C ATOM 895 C ILE A 56 -1.150 -10.470 1.578 1.00 13.00 C ATOM 896 O ILE A 56 -1.530 -9.323 1.368 1.00 11.30 O ATOM 897 CB ILE A 56 1.049 -11.140 0.601 1.00 22.30 C ATOM 898 CG1 ILE A 56 2.481 -11.580 0.908 1.00 42.50 C ATOM 899 CG2 ILE A 56 1.048 -9.972 -0.368 1.00 62.20 C ATOM 900 CD1 ILE A 56 3.045 -12.550 -0.108 1.00 63.10 C ATOM 0 H ILE A 56 0.785 -12.706 2.543 1.00 12.10 H new ATOM 0 HA ILE A 56 0.770 -9.867 2.327 1.00 51.30 H new ATOM 0 HB ILE A 56 0.524 -11.975 0.136 1.00 22.30 H new ATOM 0 HG12 ILE A 56 3.122 -10.699 0.953 1.00 42.50 H new ATOM 0 HG13 ILE A 56 2.507 -12.043 1.894 1.00 42.50 H new ATOM 0 HG21 ILE A 56 1.572 -10.256 -1.281 1.00 62.20 H new ATOM 0 HG22 ILE A 56 0.020 -9.700 -0.609 1.00 62.20 H new ATOM 0 HG23 ILE A 56 1.551 -9.120 0.089 1.00 62.20 H new ATOM 0 HD11 ILE A 56 4.063 -12.819 0.172 1.00 63.10 H new ATOM 0 HD12 ILE A 56 2.427 -13.447 -0.136 1.00 63.10 H new ATOM 0 HD13 ILE A 56 3.051 -12.083 -1.093 1.00 63.10 H new ATOM 912 N ARG A 57 -1.964 -11.520 1.538 1.00 25.50 N ATOM 913 CA ARG A 57 -3.384 -11.370 1.238 1.00 4.11 C ATOM 914 C ARG A 57 -4.078 -10.500 2.283 1.00 2.41 C ATOM 915 O ARG A 57 -4.928 -9.682 1.951 1.00 52.10 O ATOM 916 CB ARG A 57 -4.057 -12.750 1.173 1.00 71.10 C ATOM 917 CG ARG A 57 -5.333 -12.760 0.348 1.00 11.40 C ATOM 918 CD ARG A 57 -5.049 -13.080 -1.111 1.00 3.24 C ATOM 919 NE ARG A 57 -6.267 -13.090 -1.917 1.00 31.10 N ATOM 920 CZ ARG A 57 -6.871 -11.990 -2.362 1.00 1.52 C ATOM 921 NH1 ARG A 57 -6.372 -10.790 -2.081 1.00 71.20 N ATOM 922 NH2 ARG A 57 -7.975 -12.090 -3.089 1.00 2.44 N ATOM 0 H ARG A 57 -1.666 -12.481 1.709 1.00 25.50 H new ATOM 0 HA ARG A 57 -3.476 -10.878 0.270 1.00 4.11 H new ATOM 0 HB2 ARG A 57 -3.355 -13.469 0.751 1.00 71.10 H new ATOM 0 HB3 ARG A 57 -4.285 -13.083 2.186 1.00 71.10 H new ATOM 0 HG2 ARG A 57 -6.025 -13.497 0.755 1.00 11.40 H new ATOM 0 HG3 ARG A 57 -5.822 -11.789 0.420 1.00 11.40 H new ATOM 0 HD2 ARG A 57 -4.353 -12.344 -1.515 1.00 3.24 H new ATOM 0 HD3 ARG A 57 -4.561 -14.052 -1.180 1.00 3.24 H new ATOM 0 HE ARG A 57 -6.679 -13.993 -2.153 1.00 31.10 H new ATOM 0 HH11 ARG A 57 -5.523 -10.709 -1.522 1.00 71.20 H new ATOM 0 HH12 ARG A 57 -6.839 -9.950 -2.424 1.00 71.20 H new ATOM 0 HH21 ARG A 57 -8.361 -13.009 -3.307 1.00 2.44 H new ATOM 0 HH22 ARG A 57 -8.439 -11.248 -3.431 1.00 2.44 H new ATOM 936 N ALA A 58 -3.711 -10.700 3.545 1.00 3.04 N ATOM 937 CA ALA A 58 -4.298 -9.935 4.637 1.00 71.20 C ATOM 938 C ALA A 58 -3.699 -8.535 4.719 1.00 11.20 C ATOM 939 O ALA A 58 -4.346 -7.598 5.187 1.00 62.10 O ATOM 940 CB ALA A 58 -4.108 -10.660 5.956 1.00 21.10 C ATOM 0 H ALA A 58 -3.012 -11.384 3.835 1.00 3.04 H new ATOM 0 HA ALA A 58 -5.365 -9.837 4.436 1.00 71.20 H new ATOM 0 HB1 ALA A 58 -4.553 -10.074 6.761 1.00 21.10 H new ATOM 0 HB2 ALA A 58 -4.591 -11.636 5.908 1.00 21.10 H new ATOM 0 HB3 ALA A 58 -3.043 -10.792 6.149 1.00 21.10 H new ATOM 946 N LYS A 59 -2.457 -8.399 4.264 1.00 23.30 N ATOM 947 CA LYS A 59 -1.769 -7.112 4.292 1.00 5.12 C ATOM 948 C LYS A 59 -2.409 -6.125 3.318 1.00 4.44 C ATOM 949 O LYS A 59 -2.732 -4.996 3.688 1.00 35.30 O ATOM 950 CB LYS A 59 -0.288 -7.298 3.953 1.00 65.30 C ATOM 951 CG LYS A 59 0.650 -6.837 5.058 1.00 61.50 C ATOM 952 CD LYS A 59 1.193 -8.011 5.856 1.00 54.20 C ATOM 953 CE LYS A 59 1.635 -7.584 7.246 1.00 45.10 C ATOM 954 NZ LYS A 59 2.113 -8.737 8.057 1.00 13.20 N ATOM 0 H LYS A 59 -1.907 -9.163 3.872 1.00 23.30 H new ATOM 0 HA LYS A 59 -1.857 -6.703 5.298 1.00 5.12 H new ATOM 0 HB2 LYS A 59 -0.101 -8.351 3.744 1.00 65.30 H new ATOM 0 HB3 LYS A 59 -0.060 -6.747 3.041 1.00 65.30 H new ATOM 0 HG2 LYS A 59 1.478 -6.278 4.623 1.00 61.50 H new ATOM 0 HG3 LYS A 59 0.121 -6.156 5.725 1.00 61.50 H new ATOM 0 HD2 LYS A 59 0.427 -8.782 5.938 1.00 54.20 H new ATOM 0 HD3 LYS A 59 2.036 -8.454 5.325 1.00 54.20 H new ATOM 0 HE2 LYS A 59 2.431 -6.845 7.162 1.00 45.10 H new ATOM 0 HE3 LYS A 59 0.803 -7.100 7.758 1.00 45.10 H new ATOM 0 HZ1 LYS A 59 2.405 -8.403 8.998 1.00 13.20 H new ATOM 0 HZ2 LYS A 59 1.346 -9.431 8.159 1.00 13.20 H new ATOM 0 HZ3 LYS A 59 2.923 -9.184 7.582 1.00 13.20 H new ATOM 968 N CYS A 60 -2.587 -6.557 2.074 1.00 3.51 N ATOM 969 CA CYS A 60 -3.183 -5.708 1.048 1.00 41.20 C ATOM 970 C CYS A 60 -4.584 -5.257 1.453 1.00 52.50 C ATOM 971 O CYS A 60 -4.978 -4.119 1.197 1.00 1.15 O ATOM 972 CB CYS A 60 -3.241 -6.450 -0.289 1.00 42.50 C ATOM 973 SG CYS A 60 -4.319 -7.902 -0.283 1.00 65.20 S ATOM 0 H CYS A 60 -2.327 -7.489 1.752 1.00 3.51 H new ATOM 0 HA CYS A 60 -2.555 -4.823 0.939 1.00 41.20 H new ATOM 0 HB2 CYS A 60 -3.583 -5.760 -1.060 1.00 42.50 H new ATOM 0 HB3 CYS A 60 -2.233 -6.761 -0.564 1.00 42.50 H new ATOM 0 HG CYS A 60 -4.414 -8.367 0.927 1.00 65.20 H new ATOM 979 N VAL A 61 -5.332 -6.155 2.084 1.00 31.20 N ATOM 980 CA VAL A 61 -6.689 -5.849 2.521 1.00 24.30 C ATOM 981 C VAL A 61 -6.696 -4.720 3.548 1.00 72.10 C ATOM 982 O VAL A 61 -7.605 -3.890 3.566 1.00 43.10 O ATOM 983 CB VAL A 61 -7.377 -7.087 3.130 1.00 74.30 C ATOM 984 CG1 VAL A 61 -8.833 -6.787 3.453 1.00 4.02 C ATOM 985 CG2 VAL A 61 -7.268 -8.277 2.186 1.00 34.20 C ATOM 0 H VAL A 61 -5.021 -7.101 2.304 1.00 31.20 H new ATOM 0 HA VAL A 61 -7.242 -5.534 1.636 1.00 24.30 H new ATOM 0 HB VAL A 61 -6.868 -7.341 4.060 1.00 74.30 H new ATOM 0 HG11 VAL A 61 -9.301 -7.673 3.882 1.00 4.02 H new ATOM 0 HG12 VAL A 61 -8.885 -5.967 4.169 1.00 4.02 H new ATOM 0 HG13 VAL A 61 -9.358 -6.506 2.540 1.00 4.02 H new ATOM 0 HG21 VAL A 61 -7.759 -9.142 2.632 1.00 34.20 H new ATOM 0 HG22 VAL A 61 -7.750 -8.035 1.239 1.00 34.20 H new ATOM 0 HG23 VAL A 61 -6.217 -8.507 2.010 1.00 34.20 H new ATOM 995 N GLN A 62 -5.678 -4.696 4.403 1.00 43.10 N ATOM 996 CA GLN A 62 -5.571 -3.670 5.433 1.00 34.30 C ATOM 997 C GLN A 62 -5.170 -2.328 4.830 1.00 41.10 C ATOM 998 O GLN A 62 -5.626 -1.275 5.277 1.00 53.30 O ATOM 999 CB GLN A 62 -4.553 -4.089 6.495 1.00 70.30 C ATOM 1000 CG GLN A 62 -4.887 -3.590 7.891 1.00 1.32 C ATOM 1001 CD GLN A 62 -6.117 -4.263 8.470 1.00 4.04 C ATOM 1002 OE1 GLN A 62 -6.249 -5.486 8.426 1.00 1.44 O ATOM 1003 NE2 GLN A 62 -7.026 -3.464 9.018 1.00 24.10 N ATOM 0 H GLN A 62 -4.917 -5.375 4.402 1.00 43.10 H new ATOM 0 HA GLN A 62 -6.550 -3.558 5.900 1.00 34.30 H new ATOM 0 HB2 GLN A 62 -4.487 -5.177 6.514 1.00 70.30 H new ATOM 0 HB3 GLN A 62 -3.569 -3.715 6.211 1.00 70.30 H new ATOM 0 HG2 GLN A 62 -4.036 -3.766 8.549 1.00 1.32 H new ATOM 0 HG3 GLN A 62 -5.047 -2.512 7.859 1.00 1.32 H new ATOM 0 HE21 GLN A 62 -6.876 -2.455 9.033 1.00 24.10 H new ATOM 0 HE22 GLN A 62 -7.874 -3.859 9.424 1.00 24.10 H new ATOM 1012 N TYR A 63 -4.315 -2.371 3.814 1.00 44.10 N ATOM 1013 CA TYR A 63 -3.852 -1.157 3.151 1.00 2.12 C ATOM 1014 C TYR A 63 -4.968 -0.524 2.325 1.00 2.12 C ATOM 1015 O TYR A 63 -5.071 0.699 2.238 1.00 33.10 O ATOM 1016 CB TYR A 63 -2.652 -1.466 2.255 1.00 61.10 C ATOM 1017 CG TYR A 63 -1.437 -1.950 3.013 1.00 13.10 C ATOM 1018 CD1 TYR A 63 -0.964 -1.257 4.120 1.00 3.14 C ATOM 1019 CD2 TYR A 63 -0.763 -3.100 2.622 1.00 41.20 C ATOM 1020 CE1 TYR A 63 0.148 -1.695 4.814 1.00 20.10 C ATOM 1021 CE2 TYR A 63 0.348 -3.546 3.312 1.00 21.00 C ATOM 1022 CZ TYR A 63 0.799 -2.840 4.407 1.00 40.10 C ATOM 1023 OH TYR A 63 1.905 -3.281 5.097 1.00 62.20 O ATOM 0 H TYR A 63 -3.928 -3.234 3.431 1.00 44.10 H new ATOM 0 HA TYR A 63 -3.550 -0.448 3.921 1.00 2.12 H new ATOM 0 HB2 TYR A 63 -2.940 -2.223 1.526 1.00 61.10 H new ATOM 0 HB3 TYR A 63 -2.387 -0.569 1.696 1.00 61.10 H new ATOM 0 HD1 TYR A 63 -1.473 -0.361 4.444 1.00 3.14 H new ATOM 0 HD2 TYR A 63 -1.113 -3.655 1.764 1.00 41.20 H new ATOM 0 HE1 TYR A 63 0.505 -1.143 5.671 1.00 20.10 H new ATOM 0 HE2 TYR A 63 0.860 -4.443 2.995 1.00 21.00 H new ATOM 0 HH TYR A 63 2.244 -4.101 4.681 1.00 62.20 H new ATOM 1033 N LEU A 64 -5.800 -1.366 1.721 1.00 2.02 N ATOM 1034 CA LEU A 64 -6.906 -0.888 0.900 1.00 5.00 C ATOM 1035 C LEU A 64 -7.932 -0.138 1.745 1.00 23.40 C ATOM 1036 O LEU A 64 -8.453 0.898 1.332 1.00 23.40 O ATOM 1037 CB LEU A 64 -7.579 -2.062 0.182 1.00 51.40 C ATOM 1038 CG LEU A 64 -7.036 -2.361 -1.216 1.00 12.50 C ATOM 1039 CD1 LEU A 64 -7.277 -3.818 -1.581 1.00 20.10 C ATOM 1040 CD2 LEU A 64 -7.674 -1.438 -2.243 1.00 44.00 C ATOM 0 H LEU A 64 -5.729 -2.382 1.785 1.00 2.02 H new ATOM 0 HA LEU A 64 -6.502 -0.198 0.159 1.00 5.00 H new ATOM 0 HB2 LEU A 64 -7.469 -2.955 0.797 1.00 51.40 H new ATOM 0 HB3 LEU A 64 -8.647 -1.857 0.105 1.00 51.40 H new ATOM 0 HG LEU A 64 -5.961 -2.182 -1.215 1.00 12.50 H new ATOM 0 HD11 LEU A 64 -6.884 -4.013 -2.579 1.00 20.10 H new ATOM 0 HD12 LEU A 64 -6.773 -4.462 -0.860 1.00 20.10 H new ATOM 0 HD13 LEU A 64 -8.347 -4.025 -1.566 1.00 20.10 H new ATOM 0 HD21 LEU A 64 -7.276 -1.664 -3.232 1.00 44.00 H new ATOM 0 HD22 LEU A 64 -8.754 -1.586 -2.244 1.00 44.00 H new ATOM 0 HD23 LEU A 64 -7.449 -0.402 -1.990 1.00 44.00 H new ATOM 1052 N ASP A 65 -8.219 -0.670 2.929 1.00 42.30 N ATOM 1053 CA ASP A 65 -9.183 -0.051 3.831 1.00 44.20 C ATOM 1054 C ASP A 65 -8.671 1.291 4.344 1.00 3.41 C ATOM 1055 O ASP A 65 -9.452 2.204 4.613 1.00 4.12 O ATOM 1056 CB ASP A 65 -9.482 -0.980 5.009 1.00 14.30 C ATOM 1057 CG ASP A 65 -10.940 -0.941 5.421 1.00 54.50 C ATOM 1058 OD1 ASP A 65 -11.290 -0.085 6.255 1.00 55.20 O ATOM 1059 OD2 ASP A 65 -11.720 -1.768 4.909 1.00 21.30 O ATOM 0 H ASP A 65 -7.798 -1.528 3.286 1.00 42.30 H new ATOM 0 HA ASP A 65 -10.102 0.123 3.272 1.00 44.20 H new ATOM 0 HB2 ASP A 65 -9.210 -2.001 4.741 1.00 14.30 H new ATOM 0 HB3 ASP A 65 -8.860 -0.697 5.858 1.00 14.30 H new ATOM 1064 N ARG A 66 -7.353 1.404 4.480 1.00 32.40 N ATOM 1065 CA ARG A 66 -6.737 2.634 4.962 1.00 11.20 C ATOM 1066 C ARG A 66 -6.796 3.728 3.900 1.00 65.10 C ATOM 1067 O ARG A 66 -6.916 4.911 4.218 1.00 61.20 O ATOM 1068 CB ARG A 66 -5.284 2.375 5.368 1.00 4.25 C ATOM 1069 CG ARG A 66 -5.091 2.225 6.869 1.00 43.00 C ATOM 1070 CD ARG A 66 -4.841 3.568 7.539 1.00 75.30 C ATOM 1071 NE ARG A 66 -5.909 3.920 8.472 1.00 63.00 N ATOM 1072 CZ ARG A 66 -6.010 3.425 9.704 1.00 33.10 C ATOM 1073 NH1 ARG A 66 -5.113 2.555 10.153 1.00 43.20 N ATOM 1074 NH2 ARG A 66 -7.012 3.799 10.487 1.00 1.44 N ATOM 0 H ARG A 66 -6.692 0.658 4.263 1.00 32.40 H new ATOM 0 HA ARG A 66 -7.296 2.973 5.834 1.00 11.20 H new ATOM 0 HB2 ARG A 66 -4.932 1.470 4.872 1.00 4.25 H new ATOM 0 HB3 ARG A 66 -4.663 3.196 5.010 1.00 4.25 H new ATOM 0 HG2 ARG A 66 -5.975 1.759 7.305 1.00 43.00 H new ATOM 0 HG3 ARG A 66 -4.251 1.559 7.063 1.00 43.00 H new ATOM 0 HD2 ARG A 66 -3.890 3.537 8.071 1.00 75.30 H new ATOM 0 HD3 ARG A 66 -4.755 4.343 6.777 1.00 75.30 H new ATOM 0 HE ARG A 66 -6.619 4.584 8.161 1.00 63.00 H new ATOM 0 HH11 ARG A 66 -4.342 2.263 9.553 1.00 43.20 H new ATOM 0 HH12 ARG A 66 -5.195 2.179 11.098 1.00 43.20 H new ATOM 0 HH21 ARG A 66 -7.705 4.465 10.146 1.00 1.44 H new ATOM 0 HH22 ARG A 66 -7.090 3.420 11.431 1.00 1.44 H new ATOM 1088 N ALA A 67 -6.707 3.324 2.636 1.00 2.12 N ATOM 1089 CA ALA A 67 -6.748 4.270 1.528 1.00 72.20 C ATOM 1090 C ALA A 67 -8.130 4.903 1.392 1.00 2.43 C ATOM 1091 O ALA A 67 -8.261 6.041 0.942 1.00 61.00 O ATOM 1092 CB ALA A 67 -6.352 3.579 0.232 1.00 60.30 C ATOM 0 H ALA A 67 -6.606 2.349 2.355 1.00 2.12 H new ATOM 0 HA ALA A 67 -6.034 5.067 1.737 1.00 72.20 H new ATOM 0 HB1 ALA A 67 -6.387 4.296 -0.588 1.00 60.30 H new ATOM 0 HB2 ALA A 67 -5.341 3.183 0.325 1.00 60.30 H new ATOM 0 HB3 ALA A 67 -7.044 2.762 0.029 1.00 60.30 H new ATOM 1098 N GLU A 68 -9.158 4.156 1.779 1.00 3.24 N ATOM 1099 CA GLU A 68 -10.530 4.644 1.697 1.00 41.20 C ATOM 1100 C GLU A 68 -10.790 5.718 2.750 1.00 1.34 C ATOM 1101 O GLU A 68 -11.570 6.641 2.526 1.00 51.20 O ATOM 1102 CB GLU A 68 -11.510 3.486 1.873 1.00 72.30 C ATOM 1103 CG GLU A 68 -12.120 3.000 0.566 1.00 11.30 C ATOM 1104 CD GLU A 68 -13.540 3.486 0.367 1.00 3.44 C ATOM 1105 OE1 GLU A 68 -13.720 4.613 -0.143 1.00 11.10 O ATOM 1106 OE2 GLU A 68 -14.480 2.740 0.719 1.00 65.50 O ATOM 0 H GLU A 68 -9.068 3.211 2.152 1.00 3.24 H new ATOM 0 HA GLU A 68 -10.677 5.089 0.713 1.00 41.20 H new ATOM 0 HB2 GLU A 68 -10.995 2.655 2.355 1.00 72.30 H new ATOM 0 HB3 GLU A 68 -12.310 3.797 2.544 1.00 72.30 H new ATOM 0 HG2 GLU A 68 -11.504 3.340 -0.266 1.00 11.30 H new ATOM 0 HG3 GLU A 68 -12.107 1.910 0.547 1.00 11.30 H new ATOM 1113 N LYS A 69 -10.130 5.590 3.897 1.00 52.40 N ATOM 1114 CA LYS A 69 -10.300 6.550 4.984 1.00 43.30 C ATOM 1115 C LYS A 69 -9.590 7.862 4.666 1.00 11.20 C ATOM 1116 O LYS A 69 -10.010 8.931 5.106 1.00 15.10 O ATOM 1117 CB LYS A 69 -9.761 5.968 6.292 1.00 41.10 C ATOM 1118 CG LYS A 69 -10.550 6.388 7.518 1.00 31.20 C ATOM 1119 CD LYS A 69 -9.824 7.449 8.325 1.00 20.10 C ATOM 1120 CE LYS A 69 -9.216 6.867 9.591 1.00 14.20 C ATOM 1121 NZ LYS A 69 -8.465 7.890 10.370 1.00 10.00 N ATOM 0 H LYS A 69 -9.475 4.834 4.098 1.00 52.40 H new ATOM 0 HA LYS A 69 -11.365 6.753 5.096 1.00 43.30 H new ATOM 0 HB2 LYS A 69 -9.764 4.880 6.224 1.00 41.10 H new ATOM 0 HB3 LYS A 69 -8.723 6.276 6.416 1.00 41.10 H new ATOM 0 HG2 LYS A 69 -11.523 6.770 7.210 1.00 31.20 H new ATOM 0 HG3 LYS A 69 -10.734 5.517 8.147 1.00 31.20 H new ATOM 0 HD2 LYS A 69 -9.039 7.897 7.716 1.00 20.10 H new ATOM 0 HD3 LYS A 69 -10.519 8.247 8.587 1.00 20.10 H new ATOM 0 HE2 LYS A 69 -10.006 6.446 10.213 1.00 14.20 H new ATOM 0 HE3 LYS A 69 -8.547 6.048 9.328 1.00 14.20 H new ATOM 0 HZ1 LYS A 69 -8.067 7.452 11.225 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 -7.694 8.274 9.787 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 -9.109 8.660 10.643 1.00 10.00 H new ATOM 1135 N LEU A 70 -8.507 7.776 3.903 1.00 14.10 N ATOM 1136 CA LEU A 70 -7.738 8.958 3.529 1.00 74.40 C ATOM 1137 C LEU A 70 -8.486 9.788 2.491 1.00 53.20 C ATOM 1138 O LEU A 70 -8.437 11.019 2.513 1.00 74.10 O ATOM 1139 CB LEU A 70 -6.369 8.551 2.983 1.00 73.00 C ATOM 1140 CG LEU A 70 -5.478 7.792 3.968 1.00 0.44 C ATOM 1141 CD1 LEU A 70 -4.261 7.222 3.256 1.00 62.20 C ATOM 1142 CD2 LEU A 70 -5.052 8.702 5.110 1.00 0.13 C ATOM 0 H LEU A 70 -8.141 6.900 3.531 1.00 14.10 H new ATOM 0 HA LEU A 70 -7.598 9.567 4.422 1.00 74.40 H new ATOM 0 HB2 LEU A 70 -6.517 7.931 2.099 1.00 73.00 H new ATOM 0 HB3 LEU A 70 -5.843 9.449 2.658 1.00 73.00 H new ATOM 0 HG LEU A 70 -6.051 6.963 4.384 1.00 0.44 H new ATOM 0 HD11 LEU A 70 -3.639 6.685 3.972 1.00 62.20 H new ATOM 0 HD12 LEU A 70 -4.585 6.537 2.473 1.00 62.20 H new ATOM 0 HD13 LEU A 70 -3.685 8.034 2.812 1.00 62.20 H new ATOM 0 HD21 LEU A 70 -4.419 8.146 5.801 1.00 0.13 H new ATOM 0 HD22 LEU A 70 -4.496 9.551 4.711 1.00 0.13 H new ATOM 0 HD23 LEU A 70 -5.935 9.062 5.637 1.00 0.13 H new ATOM 1154 N LYS A 71 -9.175 9.109 1.580 1.00 12.30 N ATOM 1155 CA LYS A 71 -9.932 9.784 0.532 1.00 1.44 C ATOM 1156 C LYS A 71 -11.130 10.517 1.114 1.00 44.30 C ATOM 1157 O LYS A 71 -11.440 11.642 0.720 1.00 41.40 O ATOM 1158 CB LYS A 71 -10.390 8.776 -0.522 1.00 33.20 C ATOM 1159 CG LYS A 71 -10.450 9.352 -1.927 1.00 63.20 C ATOM 1160 CD LYS A 71 -10.890 8.304 -2.939 1.00 53.40 C ATOM 1161 CE LYS A 71 -10.380 8.630 -4.333 1.00 12.20 C ATOM 1162 NZ LYS A 71 -11.370 8.266 -5.385 1.00 45.40 N ATOM 0 H LYS A 71 -9.225 8.091 1.546 1.00 12.30 H new ATOM 0 HA LYS A 71 -9.280 10.518 0.059 1.00 1.44 H new ATOM 0 HB2 LYS A 71 -9.711 7.923 -0.516 1.00 33.20 H new ATOM 0 HB3 LYS A 71 -11.376 8.400 -0.250 1.00 33.20 H new ATOM 0 HG2 LYS A 71 -11.143 10.193 -1.948 1.00 63.20 H new ATOM 0 HG3 LYS A 71 -9.470 9.739 -2.205 1.00 63.20 H new ATOM 0 HD2 LYS A 71 -10.521 7.325 -2.635 1.00 53.40 H new ATOM 0 HD3 LYS A 71 -11.978 8.244 -2.953 1.00 53.40 H new ATOM 0 HE2 LYS A 71 -10.156 9.695 -4.398 1.00 12.20 H new ATOM 0 HE3 LYS A 71 -9.447 8.096 -4.512 1.00 12.20 H new ATOM 0 HZ1 LYS A 71 -10.985 8.504 -6.321 1.00 45.40 H new ATOM 0 HZ2 LYS A 71 -11.565 7.245 -5.340 1.00 45.40 H new ATOM 0 HZ3 LYS A 71 -12.252 8.794 -5.229 1.00 45.40 H new ATOM 1176 N ASP A 72 -11.810 9.870 2.054 1.00 52.20 N ATOM 1177 CA ASP A 72 -12.990 10.460 2.690 1.00 40.30 C ATOM 1178 C ASP A 72 -12.610 11.694 3.502 1.00 21.20 C ATOM 1179 O ASP A 72 -13.400 12.624 3.643 1.00 10.30 O ATOM 1180 CB ASP A 72 -13.680 9.432 3.590 1.00 2.02 C ATOM 1181 CG ASP A 72 -15.170 9.346 3.333 1.00 75.20 C ATOM 1182 OD1 ASP A 72 -15.560 8.954 2.212 1.00 74.40 O ATOM 1183 OD2 ASP A 72 -15.950 9.671 4.252 1.00 60.30 O ATOM 0 H ASP A 72 -11.568 8.939 2.394 1.00 52.20 H new ATOM 0 HA ASP A 72 -13.682 10.764 1.904 1.00 40.30 H new ATOM 0 HB2 ASP A 72 -13.229 8.453 3.430 1.00 2.02 H new ATOM 0 HB3 ASP A 72 -13.509 9.694 4.634 1.00 2.02 H new ATOM 1188 N TYR A 73 -11.390 11.695 4.035 1.00 53.50 N ATOM 1189 CA TYR A 73 -10.900 12.814 4.834 1.00 51.30 C ATOM 1190 C TYR A 73 -10.600 14.022 3.954 1.00 23.40 C ATOM 1191 O TYR A 73 -11.040 15.136 4.235 1.00 55.40 O ATOM 1192 CB TYR A 73 -9.656 12.407 5.613 1.00 11.40 C ATOM 1193 CG TYR A 73 -9.112 13.503 6.501 1.00 72.10 C ATOM 1194 CD1 TYR A 73 -8.341 14.533 5.974 1.00 45.30 C ATOM 1195 CD2 TYR A 73 -9.369 13.510 7.866 1.00 2.54 C ATOM 1196 CE1 TYR A 73 -7.842 15.536 6.782 1.00 24.30 C ATOM 1197 CE2 TYR A 73 -8.874 14.510 8.681 1.00 14.40 C ATOM 1198 CZ TYR A 73 -8.111 15.520 8.134 1.00 40.40 C ATOM 1199 OH TYR A 73 -7.616 16.518 8.942 1.00 25.20 O ATOM 0 H TYR A 73 -10.722 10.932 3.927 1.00 53.50 H new ATOM 0 HA TYR A 73 -11.682 13.092 5.541 1.00 51.30 H new ATOM 0 HB2 TYR A 73 -9.890 11.537 6.226 1.00 11.40 H new ATOM 0 HB3 TYR A 73 -8.881 12.102 4.910 1.00 11.40 H new ATOM 0 HD1 TYR A 73 -8.129 14.549 4.915 1.00 45.30 H new ATOM 0 HD2 TYR A 73 -9.966 12.720 8.298 1.00 2.54 H new ATOM 0 HE1 TYR A 73 -7.244 16.329 6.357 1.00 24.30 H new ATOM 0 HE2 TYR A 73 -9.084 14.501 9.740 1.00 14.40 H new ATOM 0 HH TYR A 73 -7.897 16.360 9.867 1.00 25.20 H new ATOM 1209 N LEU A 74 -9.842 13.796 2.888 1.00 51.40 N ATOM 1210 CA LEU A 74 -9.478 14.867 1.967 1.00 61.10 C ATOM 1211 C LEU A 74 -10.680 15.331 1.164 1.00 22.40 C ATOM 1212 O LEU A 74 -10.780 16.500 0.792 1.00 15.10 O ATOM 1213 CB LEU A 74 -8.372 14.398 1.020 1.00 45.30 C ATOM 1214 CG LEU A 74 -8.713 13.160 0.189 1.00 74.00 C ATOM 1215 CD1 LEU A 74 -9.411 13.558 -1.101 1.00 53.10 C ATOM 1216 CD2 LEU A 74 -7.457 12.356 -0.107 1.00 60.20 C ATOM 0 H LEU A 74 -9.467 12.881 2.639 1.00 51.40 H new ATOM 0 HA LEU A 74 -9.114 15.708 2.558 1.00 61.10 H new ATOM 0 HB2 LEU A 74 -8.124 15.215 0.342 1.00 45.30 H new ATOM 0 HB3 LEU A 74 -7.477 14.188 1.606 1.00 45.30 H new ATOM 0 HG LEU A 74 -9.394 12.534 0.766 1.00 74.00 H new ATOM 0 HD11 LEU A 74 -9.646 12.664 -1.679 1.00 53.10 H new ATOM 0 HD12 LEU A 74 -10.333 14.091 -0.867 1.00 53.10 H new ATOM 0 HD13 LEU A 74 -8.756 14.205 -1.684 1.00 53.10 H new ATOM 0 HD21 LEU A 74 -7.718 11.479 -0.699 1.00 60.20 H new ATOM 0 HD22 LEU A 74 -6.753 12.974 -0.664 1.00 60.20 H new ATOM 0 HD23 LEU A 74 -6.999 12.039 0.830 1.00 60.20 H new ATOM 1228 N ARG A 75 -11.600 14.408 0.901 1.00 63.10 N ATOM 1229 CA ARG A 75 -12.810 14.723 0.141 1.00 24.00 C ATOM 1230 C ARG A 75 -13.740 15.615 0.951 1.00 43.50 C ATOM 1231 O ARG A 75 -14.370 16.525 0.410 1.00 51.50 O ATOM 1232 CB ARG A 75 -13.530 13.438 -0.263 1.00 72.20 C ATOM 1233 CG ARG A 75 -13.020 12.836 -1.563 1.00 21.00 C ATOM 1234 CD ARG A 75 -14.130 12.106 -2.310 1.00 73.20 C ATOM 1235 NE ARG A 75 -14.070 12.354 -3.749 1.00 42.40 N ATOM 1236 CZ ARG A 75 -15.060 12.064 -4.589 1.00 32.30 C ATOM 1237 NH1 ARG A 75 -16.190 11.518 -4.140 1.00 35.00 N ATOM 1238 NH2 ARG A 75 -14.930 12.322 -5.883 1.00 13.10 N ATOM 0 H ARG A 75 -11.533 13.436 1.202 1.00 63.10 H new ATOM 0 HA ARG A 75 -12.517 15.262 -0.760 1.00 24.00 H new ATOM 0 HB2 ARG A 75 -13.420 12.704 0.535 1.00 72.20 H new ATOM 0 HB3 ARG A 75 -14.596 13.644 -0.362 1.00 72.20 H new ATOM 0 HG2 ARG A 75 -12.611 13.624 -2.195 1.00 21.00 H new ATOM 0 HG3 ARG A 75 -12.206 12.143 -1.350 1.00 21.00 H new ATOM 0 HD2 ARG A 75 -14.051 11.035 -2.122 1.00 73.20 H new ATOM 0 HD3 ARG A 75 -15.098 12.427 -1.926 1.00 73.20 H new ATOM 0 HE ARG A 75 -13.222 12.773 -4.131 1.00 42.40 H new ATOM 0 HH11 ARG A 75 -16.301 11.319 -3.146 1.00 35.00 H new ATOM 0 HH12 ARG A 75 -16.944 11.299 -4.791 1.00 35.00 H new ATOM 0 HH21 ARG A 75 -14.070 12.743 -6.235 1.00 13.10 H new ATOM 0 HH22 ARG A 75 -15.690 12.099 -6.526 1.00 13.10 H new ATOM 1252 N SER A 76 -13.830 15.346 2.249 1.00 22.50 N ATOM 1253 CA SER A 76 -14.700 16.123 3.133 1.00 63.40 C ATOM 1254 C SER A 76 -14.280 17.590 3.152 1.00 51.00 C ATOM 1255 O SER A 76 -15.120 18.486 3.099 1.00 24.30 O ATOM 1256 CB SER A 76 -14.660 15.550 4.551 1.00 31.20 C ATOM 1257 OG SER A 76 -15.930 15.614 5.163 1.00 41.50 O ATOM 0 H SER A 76 -13.314 14.599 2.714 1.00 22.50 H new ATOM 0 HA SER A 76 -15.719 16.059 2.752 1.00 63.40 H new ATOM 0 HB2 SER A 76 -14.321 14.515 4.518 1.00 31.20 H new ATOM 0 HB3 SER A 76 -13.937 16.104 5.150 1.00 31.20 H new ATOM 0 HG SER A 76 -15.877 15.240 6.067 1.00 41.50 H new