USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 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 72 CYS SG : rot 180:sc= -0.591 USER MOD Set 1.2: A 75 CYS SG : rot -50:sc= -3.38 USER MOD Set 1.3: A 88 HIS : no HD1:sc= 0.219 K(o=-8.8,f=-11!) USER MOD Set 1.4: A 89 GLN : amide:sc= -1.69 K(o=-8.8,f=-8.2!) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -3.38! K(o=-8.8!,f=-7) USER MOD Set 2.1: A 71 THR OG1 : rot 78:sc= 1.11 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.565 USER MOD Set 3.1: A 45 CYS SG : rot -27:sc= -0.613 USER MOD Set 3.2: A 48 CYS SG : rot -50:sc= -6.96! USER MOD Set 3.3: A 61 HIS : no HE2:sc= -0.726 K(o=-9.1,f=-14!) USER MOD Set 3.4: A 65 CYS SG : rot 90:sc= -0.763 USER MOD Set 4.1: A 19 CYS SG : rot 95:sc= 0.0933 USER MOD Set 4.2: A 22 CYS SG : rot -41:sc= 0.604 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -0.123 K(o=-0.11,f=-4.4!) USER MOD Set 4.4: A 39 CYS SG : rot -28:sc= -0.684 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -0:sc= 0.991 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 57:sc= 1.17 USER MOD Single : A 32 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.099) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 79:sc= 0.118 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= -3.69! (180deg=-3.95!) USER MOD Single : A 59 GLN : amide:sc=-0.00104 X(o=-0.001,f=-0.089) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 168:sc= -1.39 (180deg=-1.88!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.79) USER MOD Single : A 95 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.031) USER MOD Single : A 96 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -56.115 9.875 -11.206 1.00 0.00 N ATOM 9 CA SER A 2 -55.010 9.351 -10.411 1.00 0.00 C ATOM 10 C SER A 2 -55.471 8.182 -9.545 1.00 0.00 C ATOM 11 O SER A 2 -56.655 7.847 -9.515 1.00 0.00 O ATOM 12 CB SER A 2 -54.421 10.453 -9.528 1.00 0.00 C ATOM 13 OG SER A 2 -53.413 11.173 -10.216 1.00 0.00 O ATOM 0 HA SER A 2 -54.240 8.993 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 2 -55.212 11.136 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 -54.004 10.013 -8.622 1.00 0.00 H new ATOM 0 HG SER A 2 -53.054 11.872 -9.631 1.00 0.00 H new ATOM 19 N SER A 3 -54.527 7.566 -8.842 1.00 0.00 N ATOM 20 CA SER A 3 -54.834 6.432 -7.978 1.00 0.00 C ATOM 21 C SER A 3 -53.686 6.160 -7.010 1.00 0.00 C ATOM 22 O SER A 3 -52.615 6.755 -7.117 1.00 0.00 O ATOM 23 CB SER A 3 -55.113 5.184 -8.819 1.00 0.00 C ATOM 24 OG SER A 3 -53.915 4.655 -9.360 1.00 0.00 O ATOM 0 H SER A 3 -53.543 7.833 -8.853 1.00 0.00 H new ATOM 0 HA SER A 3 -55.724 6.678 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -55.602 4.429 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 3 -55.802 5.432 -9.626 1.00 0.00 H new ATOM 0 HG SER A 3 -54.120 3.858 -9.891 1.00 0.00 H new ATOM 30 N GLY A 4 -53.920 5.256 -6.064 1.00 0.00 N ATOM 31 CA GLY A 4 -52.899 4.921 -5.089 1.00 0.00 C ATOM 32 C GLY A 4 -52.969 3.471 -4.650 1.00 0.00 C ATOM 33 O GLY A 4 -54.056 2.914 -4.499 1.00 0.00 O ATOM 0 H GLY A 4 -54.799 4.750 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -51.916 5.122 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -53.007 5.567 -4.218 1.00 0.00 H new ATOM 37 N SER A 5 -51.807 2.859 -4.447 1.00 0.00 N ATOM 38 CA SER A 5 -51.742 1.464 -4.028 1.00 0.00 C ATOM 39 C SER A 5 -50.371 1.135 -3.446 1.00 0.00 C ATOM 40 O SER A 5 -49.461 1.964 -3.465 1.00 0.00 O ATOM 41 CB SER A 5 -52.041 0.540 -5.210 1.00 0.00 C ATOM 42 OG SER A 5 -53.399 0.638 -5.603 1.00 0.00 O ATOM 0 H SER A 5 -50.898 3.307 -4.566 1.00 0.00 H new ATOM 0 HA SER A 5 -52.493 1.308 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 -51.396 0.799 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 -51.811 -0.490 -4.938 1.00 0.00 H new ATOM 0 HG SER A 5 -53.862 1.277 -5.022 1.00 0.00 H new ATOM 48 N SER A 6 -50.230 -0.081 -2.928 1.00 0.00 N ATOM 49 CA SER A 6 -48.972 -0.519 -2.336 1.00 0.00 C ATOM 50 C SER A 6 -48.722 -1.997 -2.623 1.00 0.00 C ATOM 51 O SER A 6 -49.573 -2.684 -3.186 1.00 0.00 O ATOM 52 CB SER A 6 -48.982 -0.277 -0.826 1.00 0.00 C ATOM 53 OG SER A 6 -50.124 -0.862 -0.223 1.00 0.00 O ATOM 0 H SER A 6 -50.972 -0.780 -2.906 1.00 0.00 H new ATOM 0 HA SER A 6 -48.167 0.063 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 -48.078 -0.694 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 -48.970 0.794 -0.626 1.00 0.00 H new ATOM 0 HG SER A 6 -50.106 -0.695 0.742 1.00 0.00 H new ATOM 59 N GLY A 7 -47.546 -2.479 -2.232 1.00 0.00 N ATOM 60 CA GLY A 7 -47.204 -3.871 -2.455 1.00 0.00 C ATOM 61 C GLY A 7 -45.854 -4.238 -1.870 1.00 0.00 C ATOM 62 O GLY A 7 -45.364 -3.572 -0.959 1.00 0.00 O ATOM 0 H GLY A 7 -46.824 -1.930 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -47.972 -4.506 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -47.200 -4.074 -3.526 1.00 0.00 H new ATOM 66 N ALA A 8 -45.253 -5.301 -2.394 1.00 0.00 N ATOM 67 CA ALA A 8 -43.952 -5.754 -1.919 1.00 0.00 C ATOM 68 C ALA A 8 -43.242 -6.593 -2.976 1.00 0.00 C ATOM 69 O ALA A 8 -43.881 -7.163 -3.861 1.00 0.00 O ATOM 70 CB ALA A 8 -44.108 -6.548 -0.630 1.00 0.00 C ATOM 0 H ALA A 8 -45.647 -5.864 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 8 -43.340 -4.874 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -43.128 -6.880 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -44.565 -5.918 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -44.742 -7.416 -0.812 1.00 0.00 H new ATOM 76 N SER A 9 -41.919 -6.664 -2.878 1.00 0.00 N ATOM 77 CA SER A 9 -41.122 -7.431 -3.830 1.00 0.00 C ATOM 78 C SER A 9 -40.144 -8.349 -3.103 1.00 0.00 C ATOM 79 O SER A 9 -39.498 -7.964 -2.128 1.00 0.00 O ATOM 80 CB SER A 9 -40.359 -6.489 -4.763 1.00 0.00 C ATOM 81 OG SER A 9 -41.152 -6.124 -5.879 1.00 0.00 O ATOM 0 H SER A 9 -41.376 -6.200 -2.150 1.00 0.00 H new ATOM 0 HA SER A 9 -41.799 -8.047 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 -40.060 -5.594 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 9 -39.445 -6.973 -5.106 1.00 0.00 H new ATOM 0 HG SER A 9 -40.642 -5.520 -6.459 1.00 0.00 H new ATOM 87 N PRO A 10 -40.030 -9.594 -3.589 1.00 0.00 N ATOM 88 CA PRO A 10 -39.133 -10.594 -3.003 1.00 0.00 C ATOM 89 C PRO A 10 -37.663 -10.263 -3.239 1.00 0.00 C ATOM 90 O PRO A 10 -37.275 -9.862 -4.336 1.00 0.00 O ATOM 91 CB PRO A 10 -39.514 -11.884 -3.732 1.00 0.00 C ATOM 92 CG PRO A 10 -40.085 -11.430 -5.031 1.00 0.00 C ATOM 93 CD PRO A 10 -40.769 -10.121 -4.748 1.00 0.00 C ATOM 0 HA PRO A 10 -39.241 -10.653 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -38.645 -12.525 -3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -40.240 -12.462 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -39.302 -11.307 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -40.791 -12.162 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -40.713 -9.445 -5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -41.826 -10.261 -4.521 1.00 0.00 H new ATOM 101 N VAL A 11 -36.849 -10.434 -2.202 1.00 0.00 N ATOM 102 CA VAL A 11 -35.421 -10.155 -2.298 1.00 0.00 C ATOM 103 C VAL A 11 -34.635 -11.418 -2.628 1.00 0.00 C ATOM 104 O VAL A 11 -34.142 -12.106 -1.734 1.00 0.00 O ATOM 105 CB VAL A 11 -34.878 -9.553 -0.988 1.00 0.00 C ATOM 106 CG1 VAL A 11 -33.378 -9.322 -1.088 1.00 0.00 C ATOM 107 CG2 VAL A 11 -35.604 -8.258 -0.655 1.00 0.00 C ATOM 0 H VAL A 11 -37.154 -10.764 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 11 -35.293 -9.431 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 11 -35.059 -10.262 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -33.012 -8.896 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -32.875 -10.271 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -33.170 -8.633 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -35.207 -7.847 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -35.456 -7.540 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -36.669 -8.458 -0.538 1.00 0.00 H new ATOM 117 N GLU A 12 -34.521 -11.718 -3.918 1.00 0.00 N ATOM 118 CA GLU A 12 -33.795 -12.900 -4.366 1.00 0.00 C ATOM 119 C GLU A 12 -32.560 -12.507 -5.172 1.00 0.00 C ATOM 120 O GLU A 12 -32.485 -11.405 -5.714 1.00 0.00 O ATOM 121 CB GLU A 12 -34.704 -13.796 -5.209 1.00 0.00 C ATOM 122 CG GLU A 12 -34.018 -15.053 -5.719 1.00 0.00 C ATOM 123 CD GLU A 12 -34.880 -15.835 -6.690 1.00 0.00 C ATOM 124 OE1 GLU A 12 -35.460 -15.212 -7.604 1.00 0.00 O ATOM 125 OE2 GLU A 12 -34.975 -17.071 -6.536 1.00 0.00 O ATOM 0 H GLU A 12 -34.922 -11.159 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 12 -33.471 -13.452 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -35.571 -14.082 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -35.075 -13.225 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -33.083 -14.779 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -33.760 -15.690 -4.873 1.00 0.00 H new ATOM 199 N TYR A 17 -23.876 -6.211 -10.057 1.00 0.00 N ATOM 200 CA TYR A 17 -22.693 -5.575 -10.624 1.00 0.00 C ATOM 201 C TYR A 17 -21.471 -5.811 -9.740 1.00 0.00 C ATOM 202 O TYR A 17 -21.279 -5.127 -8.735 1.00 0.00 O ATOM 203 CB TYR A 17 -22.928 -4.074 -10.798 1.00 0.00 C ATOM 204 CG TYR A 17 -24.222 -3.742 -11.506 1.00 0.00 C ATOM 205 CD1 TYR A 17 -24.751 -4.596 -12.465 1.00 0.00 C ATOM 206 CD2 TYR A 17 -24.916 -2.573 -11.215 1.00 0.00 C ATOM 207 CE1 TYR A 17 -25.933 -4.297 -13.115 1.00 0.00 C ATOM 208 CE2 TYR A 17 -26.099 -2.266 -11.859 1.00 0.00 C ATOM 209 CZ TYR A 17 -26.603 -3.130 -12.809 1.00 0.00 C ATOM 210 OH TYR A 17 -27.781 -2.829 -13.453 1.00 0.00 O ATOM 0 HA TYR A 17 -22.505 -6.022 -11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -22.928 -3.599 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -22.097 -3.647 -11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -24.229 -5.510 -12.707 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -24.524 -1.893 -10.473 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -26.330 -4.973 -13.858 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.626 -1.354 -11.620 1.00 0.00 H new ATOM 0 HH TYR A 17 -28.126 -1.974 -13.122 1.00 0.00 H new ATOM 220 N GLN A 18 -20.650 -6.783 -10.124 1.00 0.00 N ATOM 221 CA GLN A 18 -19.448 -7.110 -9.367 1.00 0.00 C ATOM 222 C GLN A 18 -18.229 -6.402 -9.950 1.00 0.00 C ATOM 223 O GLN A 18 -18.166 -6.140 -11.151 1.00 0.00 O ATOM 224 CB GLN A 18 -19.219 -8.622 -9.360 1.00 0.00 C ATOM 225 CG GLN A 18 -19.838 -9.325 -8.162 1.00 0.00 C ATOM 226 CD GLN A 18 -20.223 -10.760 -8.463 1.00 0.00 C ATOM 227 OE1 GLN A 18 -21.397 -11.071 -8.666 1.00 0.00 O ATOM 228 NE2 GLN A 18 -19.233 -11.645 -8.493 1.00 0.00 N ATOM 0 H GLN A 18 -20.795 -7.357 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.590 -6.767 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.632 -9.048 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.147 -8.819 -9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.132 -9.309 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.722 -8.775 -7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.274 -11.344 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.432 -12.626 -8.690 1.00 0.00 H new ATOM 237 N CYS A 19 -17.262 -6.095 -9.091 1.00 0.00 N ATOM 238 CA CYS A 19 -16.045 -5.417 -9.520 1.00 0.00 C ATOM 239 C CYS A 19 -15.125 -6.375 -10.272 1.00 0.00 C ATOM 240 O CYS A 19 -14.927 -7.517 -9.857 1.00 0.00 O ATOM 241 CB CYS A 19 -15.311 -4.831 -8.312 1.00 0.00 C ATOM 242 SG CYS A 19 -13.721 -4.041 -8.721 1.00 0.00 S ATOM 0 H CYS A 19 -17.298 -6.305 -8.094 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.327 -4.608 -10.194 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.956 -4.097 -7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.134 -5.626 -7.587 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.899 -2.763 -8.876 1.00 0.00 H new ATOM 247 N ARG A 20 -14.567 -5.901 -11.381 1.00 0.00 N ATOM 248 CA ARG A 20 -13.669 -6.714 -12.192 1.00 0.00 C ATOM 249 C ARG A 20 -12.247 -6.671 -11.640 1.00 0.00 C ATOM 250 O ARG A 20 -11.281 -6.920 -12.362 1.00 0.00 O ATOM 251 CB ARG A 20 -13.678 -6.230 -13.643 1.00 0.00 C ATOM 252 CG ARG A 20 -15.013 -6.426 -14.343 1.00 0.00 C ATOM 253 CD ARG A 20 -15.963 -5.271 -14.066 1.00 0.00 C ATOM 254 NE ARG A 20 -17.244 -5.440 -14.746 1.00 0.00 N ATOM 255 CZ ARG A 20 -17.450 -5.114 -16.017 1.00 0.00 C ATOM 256 NH1 ARG A 20 -16.464 -4.604 -16.743 1.00 0.00 N ATOM 257 NH2 ARG A 20 -18.644 -5.298 -16.565 1.00 0.00 N ATOM 0 H ARG A 20 -14.721 -4.958 -11.738 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.023 -7.744 -12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.418 -5.172 -13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.905 -6.760 -14.199 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.852 -6.516 -15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.466 -7.359 -14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.131 -5.189 -12.992 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.502 -4.337 -14.388 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.023 -5.830 -14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.544 -4.461 -16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.625 -4.355 -17.719 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.405 -5.690 -16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.801 -5.047 -17.541 1.00 0.00 H new ATOM 271 N LEU A 21 -12.127 -6.353 -10.355 1.00 0.00 N ATOM 272 CA LEU A 21 -10.823 -6.277 -9.705 1.00 0.00 C ATOM 273 C LEU A 21 -10.783 -7.158 -8.461 1.00 0.00 C ATOM 274 O LEU A 21 -9.811 -7.876 -8.226 1.00 0.00 O ATOM 275 CB LEU A 21 -10.503 -4.829 -9.329 1.00 0.00 C ATOM 276 CG LEU A 21 -10.729 -3.786 -10.424 1.00 0.00 C ATOM 277 CD1 LEU A 21 -10.611 -2.380 -9.855 1.00 0.00 C ATOM 278 CD2 LEU A 21 -9.741 -3.986 -11.564 1.00 0.00 C ATOM 0 H LEU A 21 -12.916 -6.144 -9.743 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.072 -6.638 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.109 -4.557 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.460 -4.778 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.738 -3.914 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.775 -1.651 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.358 -2.240 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.615 -2.240 -9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.917 -3.235 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.724 -3.886 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.874 -4.980 -11.990 1.00 0.00 H new ATOM 290 N CYS A 22 -11.847 -7.100 -7.666 1.00 0.00 N ATOM 291 CA CYS A 22 -11.935 -7.893 -6.446 1.00 0.00 C ATOM 292 C CYS A 22 -13.218 -8.720 -6.427 1.00 0.00 C ATOM 293 O CYS A 22 -13.414 -9.559 -5.549 1.00 0.00 O ATOM 294 CB CYS A 22 -11.882 -6.984 -5.217 1.00 0.00 C ATOM 295 SG CYS A 22 -13.185 -5.712 -5.176 1.00 0.00 S ATOM 0 H CYS A 22 -12.661 -6.511 -7.846 1.00 0.00 H new ATOM 0 HA CYS A 22 -11.084 -8.574 -6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.961 -7.599 -4.320 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.909 -6.494 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.337 -5.208 -6.365 1.00 0.00 H new ATOM 300 N ASN A 23 -14.088 -8.475 -7.401 1.00 0.00 N ATOM 301 CA ASN A 23 -15.352 -9.196 -7.496 1.00 0.00 C ATOM 302 C ASN A 23 -16.245 -8.887 -6.298 1.00 0.00 C ATOM 303 O ASN A 23 -16.859 -9.784 -5.721 1.00 0.00 O ATOM 304 CB ASN A 23 -15.099 -10.702 -7.583 1.00 0.00 C ATOM 305 CG ASN A 23 -14.131 -11.062 -8.693 1.00 0.00 C ATOM 306 OD1 ASN A 23 -12.923 -11.151 -8.475 1.00 0.00 O ATOM 307 ND2 ASN A 23 -14.660 -11.271 -9.894 1.00 0.00 N ATOM 0 H ASN A 23 -13.941 -7.783 -8.136 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.862 -8.868 -8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.704 -11.057 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -16.045 -11.218 -7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.059 -11.516 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.667 -11.186 -10.029 1.00 0.00 H new ATOM 314 N ALA A 24 -16.312 -7.612 -5.929 1.00 0.00 N ATOM 315 CA ALA A 24 -17.132 -7.185 -4.802 1.00 0.00 C ATOM 316 C ALA A 24 -18.477 -6.645 -5.275 1.00 0.00 C ATOM 317 O ALA A 24 -18.547 -5.599 -5.921 1.00 0.00 O ATOM 318 CB ALA A 24 -16.397 -6.133 -3.984 1.00 0.00 C ATOM 0 H ALA A 24 -15.808 -6.857 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.321 -8.054 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.021 -5.823 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.464 -6.552 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.179 -5.270 -4.613 1.00 0.00 H new ATOM 324 N LYS A 25 -19.546 -7.365 -4.951 1.00 0.00 N ATOM 325 CA LYS A 25 -20.891 -6.960 -5.342 1.00 0.00 C ATOM 326 C LYS A 25 -21.134 -5.491 -5.009 1.00 0.00 C ATOM 327 O LYS A 25 -20.941 -5.062 -3.871 1.00 0.00 O ATOM 328 CB LYS A 25 -21.933 -7.832 -4.639 1.00 0.00 C ATOM 329 CG LYS A 25 -21.960 -9.267 -5.136 1.00 0.00 C ATOM 330 CD LYS A 25 -22.973 -10.103 -4.372 1.00 0.00 C ATOM 331 CE LYS A 25 -24.398 -9.747 -4.763 1.00 0.00 C ATOM 332 NZ LYS A 25 -25.399 -10.546 -4.003 1.00 0.00 N ATOM 0 H LYS A 25 -19.506 -8.234 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.985 -7.091 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.732 -7.831 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.919 -7.389 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.203 -9.280 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.969 -9.708 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.795 -11.160 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.839 -9.949 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.569 -8.686 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.534 -9.916 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -26.358 -10.273 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.253 -11.558 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -25.286 -10.366 -2.985 1.00 0.00 H new ATOM 346 N LEU A 26 -21.559 -4.725 -6.008 1.00 0.00 N ATOM 347 CA LEU A 26 -21.830 -3.304 -5.821 1.00 0.00 C ATOM 348 C LEU A 26 -23.295 -3.072 -5.461 1.00 0.00 C ATOM 349 O LEU A 26 -24.066 -4.021 -5.314 1.00 0.00 O ATOM 350 CB LEU A 26 -21.475 -2.526 -7.089 1.00 0.00 C ATOM 351 CG LEU A 26 -20.005 -2.137 -7.248 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.479 -1.503 -5.970 1.00 0.00 C ATOM 353 CD2 LEU A 26 -19.170 -3.352 -7.626 1.00 0.00 C ATOM 0 H LEU A 26 -21.723 -5.064 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.212 -2.946 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.767 -3.124 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.075 -1.617 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.928 -1.404 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.431 -1.233 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.059 -0.608 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.570 -2.213 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.126 -3.057 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.253 -4.108 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.531 -3.763 -8.569 1.00 0.00 H new ATOM 365 N SER A 27 -23.671 -1.805 -5.324 1.00 0.00 N ATOM 366 CA SER A 27 -25.043 -1.448 -4.980 1.00 0.00 C ATOM 367 C SER A 27 -25.770 -0.863 -6.186 1.00 0.00 C ATOM 368 O SER A 27 -26.993 -0.726 -6.181 1.00 0.00 O ATOM 369 CB SER A 27 -25.057 -0.445 -3.825 1.00 0.00 C ATOM 370 OG SER A 27 -26.267 -0.526 -3.093 1.00 0.00 O ATOM 0 H SER A 27 -23.046 -1.008 -5.446 1.00 0.00 H new ATOM 0 HA SER A 27 -25.562 -2.355 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.214 -0.638 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.931 0.565 -4.215 1.00 0.00 H new ATOM 0 HG SER A 27 -26.250 0.124 -2.360 1.00 0.00 H new ATOM 376 N SER A 28 -25.008 -0.520 -7.220 1.00 0.00 N ATOM 377 CA SER A 28 -25.579 0.054 -8.433 1.00 0.00 C ATOM 378 C SER A 28 -24.507 0.234 -9.504 1.00 0.00 C ATOM 379 O SER A 28 -23.314 0.288 -9.203 1.00 0.00 O ATOM 380 CB SER A 28 -26.238 1.400 -8.124 1.00 0.00 C ATOM 381 OG SER A 28 -27.562 1.222 -7.651 1.00 0.00 O ATOM 0 H SER A 28 -23.994 -0.630 -7.242 1.00 0.00 H new ATOM 0 HA SER A 28 -26.335 -0.634 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.650 1.934 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.249 2.018 -9.022 1.00 0.00 H new ATOM 0 HG SER A 28 -27.552 0.642 -6.861 1.00 0.00 H new ATOM 387 N LEU A 29 -24.942 0.327 -10.756 1.00 0.00 N ATOM 388 CA LEU A 29 -24.022 0.501 -11.875 1.00 0.00 C ATOM 389 C LEU A 29 -23.023 1.618 -11.589 1.00 0.00 C ATOM 390 O LEU A 29 -21.871 1.562 -12.023 1.00 0.00 O ATOM 391 CB LEU A 29 -24.798 0.811 -13.156 1.00 0.00 C ATOM 392 CG LEU A 29 -24.159 0.331 -14.460 1.00 0.00 C ATOM 393 CD1 LEU A 29 -24.284 -1.179 -14.591 1.00 0.00 C ATOM 394 CD2 LEU A 29 -24.797 1.026 -15.654 1.00 0.00 C ATOM 0 H LEU A 29 -25.926 0.285 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 29 -23.471 -0.430 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -25.789 0.364 -13.074 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -24.939 1.890 -13.219 1.00 0.00 H new ATOM 0 HG LEU A 29 -23.100 0.587 -14.439 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -23.824 -1.503 -15.525 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -23.780 -1.660 -13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -25.338 -1.458 -14.590 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -24.330 0.672 -16.573 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -25.863 0.801 -15.679 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -24.655 2.103 -15.566 1.00 0.00 H new ATOM 406 N LEU A 30 -23.470 2.631 -10.855 1.00 0.00 N ATOM 407 CA LEU A 30 -22.615 3.761 -10.509 1.00 0.00 C ATOM 408 C LEU A 30 -21.492 3.327 -9.572 1.00 0.00 C ATOM 409 O LEU A 30 -20.316 3.567 -9.845 1.00 0.00 O ATOM 410 CB LEU A 30 -23.441 4.870 -9.855 1.00 0.00 C ATOM 411 CG LEU A 30 -22.830 6.271 -9.887 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.938 6.869 -11.281 1.00 0.00 C ATOM 413 CD2 LEU A 30 -23.506 7.172 -8.864 1.00 0.00 C ATOM 0 H LEU A 30 -24.420 2.693 -10.488 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.170 4.143 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -24.413 4.908 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.619 4.597 -8.815 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.774 6.191 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.498 7.866 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.406 6.235 -11.991 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.987 6.935 -11.568 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.058 8.165 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.570 7.245 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.375 6.752 -7.867 1.00 0.00 H new ATOM 425 N GLU A 31 -21.864 2.687 -8.468 1.00 0.00 N ATOM 426 CA GLU A 31 -20.887 2.218 -7.492 1.00 0.00 C ATOM 427 C GLU A 31 -19.768 1.437 -8.175 1.00 0.00 C ATOM 428 O GLU A 31 -18.640 1.394 -7.685 1.00 0.00 O ATOM 429 CB GLU A 31 -21.566 1.342 -6.438 1.00 0.00 C ATOM 430 CG GLU A 31 -20.929 1.440 -5.062 1.00 0.00 C ATOM 431 CD GLU A 31 -21.903 1.127 -3.944 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.889 1.878 -3.790 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.681 0.133 -3.222 1.00 0.00 O ATOM 0 H GLU A 31 -22.834 2.482 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.452 3.090 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.616 1.625 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.539 0.304 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.085 0.752 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.531 2.445 -4.921 1.00 0.00 H new ATOM 440 N GLN A 32 -20.090 0.820 -9.307 1.00 0.00 N ATOM 441 CA GLN A 32 -19.113 0.039 -10.055 1.00 0.00 C ATOM 442 C GLN A 32 -18.065 0.945 -10.693 1.00 0.00 C ATOM 443 O GLN A 32 -16.883 0.876 -10.359 1.00 0.00 O ATOM 444 CB GLN A 32 -19.810 -0.792 -11.134 1.00 0.00 C ATOM 445 CG GLN A 32 -18.999 -1.991 -11.598 1.00 0.00 C ATOM 446 CD GLN A 32 -19.763 -2.873 -12.566 1.00 0.00 C ATOM 447 OE1 GLN A 32 -20.902 -2.576 -12.928 1.00 0.00 O ATOM 448 NE2 GLN A 32 -19.138 -3.964 -12.992 1.00 0.00 N ATOM 0 H GLN A 32 -21.020 0.846 -9.726 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.611 -0.632 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.769 -1.139 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -20.022 -0.154 -11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.083 -1.643 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.702 -2.581 -10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.194 -4.171 -12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.602 -4.595 -13.646 1.00 0.00 H new ATOM 457 N GLY A 33 -18.507 1.795 -11.615 1.00 0.00 N ATOM 458 CA GLY A 33 -17.594 2.703 -12.286 1.00 0.00 C ATOM 459 C GLY A 33 -16.788 3.539 -11.312 1.00 0.00 C ATOM 460 O GLY A 33 -15.757 4.105 -11.674 1.00 0.00 O ATOM 0 H GLY A 33 -19.481 1.871 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.915 2.130 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.160 3.362 -12.944 1.00 0.00 H new ATOM 464 N SER A 34 -17.259 3.618 -10.071 1.00 0.00 N ATOM 465 CA SER A 34 -16.577 4.396 -9.043 1.00 0.00 C ATOM 466 C SER A 34 -15.616 3.519 -8.246 1.00 0.00 C ATOM 467 O SER A 34 -14.419 3.799 -8.171 1.00 0.00 O ATOM 468 CB SER A 34 -17.597 5.040 -8.102 1.00 0.00 C ATOM 469 OG SER A 34 -17.096 6.250 -7.559 1.00 0.00 O ATOM 0 H SER A 34 -18.110 3.153 -9.753 1.00 0.00 H new ATOM 0 HA SER A 34 -16.002 5.180 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.523 5.236 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.840 4.348 -7.295 1.00 0.00 H new ATOM 0 HG SER A 34 -17.767 6.643 -6.962 1.00 0.00 H new ATOM 475 N HIS A 35 -16.149 2.455 -7.653 1.00 0.00 N ATOM 476 CA HIS A 35 -15.339 1.535 -6.861 1.00 0.00 C ATOM 477 C HIS A 35 -14.111 1.081 -7.645 1.00 0.00 C ATOM 478 O HIS A 35 -13.093 0.714 -7.060 1.00 0.00 O ATOM 479 CB HIS A 35 -16.170 0.322 -6.443 1.00 0.00 C ATOM 480 CG HIS A 35 -15.370 -0.747 -5.765 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.012 -0.689 -4.434 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.858 -1.906 -6.240 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.314 -1.766 -4.121 1.00 0.00 C ATOM 484 NE2 HIS A 35 -14.207 -2.521 -5.200 1.00 0.00 N ATOM 0 H HIS A 35 -17.137 2.209 -7.706 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.003 2.061 -5.967 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.965 0.650 -5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.651 -0.100 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.945 -2.278 -7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.901 -1.991 -3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.720 -3.416 -5.252 1.00 0.00 H new ATOM 492 N GLU A 36 -14.217 1.108 -8.970 1.00 0.00 N ATOM 493 CA GLU A 36 -13.115 0.697 -9.832 1.00 0.00 C ATOM 494 C GLU A 36 -12.009 1.748 -9.839 1.00 0.00 C ATOM 495 O GLU A 36 -10.844 1.437 -10.089 1.00 0.00 O ATOM 496 CB GLU A 36 -13.616 0.457 -11.258 1.00 0.00 C ATOM 497 CG GLU A 36 -14.306 -0.883 -11.443 1.00 0.00 C ATOM 498 CD GLU A 36 -15.263 -1.208 -10.312 1.00 0.00 C ATOM 499 OE1 GLU A 36 -14.821 -1.218 -9.145 1.00 0.00 O ATOM 500 OE2 GLU A 36 -16.454 -1.453 -10.596 1.00 0.00 O ATOM 0 H GLU A 36 -15.054 1.410 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.706 -0.233 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.309 1.253 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.773 0.520 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.852 -0.879 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.553 -1.668 -11.514 1.00 0.00 H new ATOM 507 N ARG A 37 -12.382 2.993 -9.563 1.00 0.00 N ATOM 508 CA ARG A 37 -11.423 4.091 -9.540 1.00 0.00 C ATOM 509 C ARG A 37 -10.514 3.992 -8.318 1.00 0.00 C ATOM 510 O ARG A 37 -9.292 4.100 -8.430 1.00 0.00 O ATOM 511 CB ARG A 37 -12.154 5.435 -9.538 1.00 0.00 C ATOM 512 CG ARG A 37 -12.371 6.008 -8.148 1.00 0.00 C ATOM 513 CD ARG A 37 -12.900 7.433 -8.209 1.00 0.00 C ATOM 514 NE ARG A 37 -11.821 8.418 -8.210 1.00 0.00 N ATOM 515 CZ ARG A 37 -12.021 9.727 -8.105 1.00 0.00 C ATOM 516 NH1 ARG A 37 -13.252 10.205 -7.991 1.00 0.00 N ATOM 517 NH2 ARG A 37 -10.988 10.560 -8.114 1.00 0.00 N ATOM 0 H ARG A 37 -13.342 3.267 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.807 4.022 -10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.584 6.150 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.121 5.314 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.074 5.381 -7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.432 5.991 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.505 7.557 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.555 7.613 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.862 8.082 -8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.048 9.567 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.403 11.211 -7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.039 10.195 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.143 11.565 -8.033 1.00 0.00 H new ATOM 531 N LEU A 38 -11.118 3.788 -7.153 1.00 0.00 N ATOM 532 CA LEU A 38 -10.364 3.676 -5.909 1.00 0.00 C ATOM 533 C LEU A 38 -9.754 2.285 -5.766 1.00 0.00 C ATOM 534 O LEU A 38 -8.628 2.135 -5.291 1.00 0.00 O ATOM 535 CB LEU A 38 -11.268 3.974 -4.712 1.00 0.00 C ATOM 536 CG LEU A 38 -12.745 3.615 -4.881 1.00 0.00 C ATOM 537 CD1 LEU A 38 -13.310 3.058 -3.583 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.541 4.830 -5.333 1.00 0.00 C ATOM 0 H LEU A 38 -12.128 3.697 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.556 4.407 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.881 3.436 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.197 5.038 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.827 2.846 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.362 2.808 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.758 2.161 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.216 3.805 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.590 4.556 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.452 5.621 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.152 5.185 -6.287 1.00 0.00 H new ATOM 550 N CYS A 39 -10.504 1.270 -6.182 1.00 0.00 N ATOM 551 CA CYS A 39 -10.038 -0.109 -6.102 1.00 0.00 C ATOM 552 C CYS A 39 -8.807 -0.319 -6.979 1.00 0.00 C ATOM 553 O CYS A 39 -8.158 -1.363 -6.916 1.00 0.00 O ATOM 554 CB CYS A 39 -11.150 -1.070 -6.527 1.00 0.00 C ATOM 555 SG CYS A 39 -10.694 -2.831 -6.414 1.00 0.00 S ATOM 0 H CYS A 39 -11.438 1.377 -6.578 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.765 -0.315 -5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.027 -0.892 -5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.437 -0.845 -7.554 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.408 -2.957 -6.561 1.00 0.00 H new ATOM 560 N ARG A 40 -8.492 0.682 -7.796 1.00 0.00 N ATOM 561 CA ARG A 40 -7.339 0.607 -8.686 1.00 0.00 C ATOM 562 C ARG A 40 -6.125 1.288 -8.062 1.00 0.00 C ATOM 563 O ARG A 40 -4.991 0.847 -8.246 1.00 0.00 O ATOM 564 CB ARG A 40 -7.665 1.256 -10.032 1.00 0.00 C ATOM 565 CG ARG A 40 -8.239 0.286 -11.053 1.00 0.00 C ATOM 566 CD ARG A 40 -8.185 0.862 -12.460 1.00 0.00 C ATOM 567 NE ARG A 40 -8.274 -0.179 -13.480 1.00 0.00 N ATOM 568 CZ ARG A 40 -7.299 -1.043 -13.736 1.00 0.00 C ATOM 569 NH1 ARG A 40 -6.166 -0.992 -13.049 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.455 -1.962 -14.681 1.00 0.00 N ATOM 0 H ARG A 40 -9.019 1.553 -7.860 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.102 -0.445 -8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.377 2.066 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.758 1.704 -10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.682 -0.650 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.272 0.052 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.002 1.571 -12.593 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.256 1.418 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.133 -0.246 -14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.042 -0.288 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.419 -1.657 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.325 -2.005 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.705 -2.625 -14.876 1.00 0.00 H new ATOM 584 N ASN A 41 -6.372 2.365 -7.323 1.00 0.00 N ATOM 585 CA ASN A 41 -5.299 3.108 -6.673 1.00 0.00 C ATOM 586 C ASN A 41 -5.646 3.403 -5.217 1.00 0.00 C ATOM 587 O ASN A 41 -5.498 4.531 -4.749 1.00 0.00 O ATOM 588 CB ASN A 41 -5.030 4.416 -7.419 1.00 0.00 C ATOM 589 CG ASN A 41 -5.006 4.228 -8.924 1.00 0.00 C ATOM 590 OD1 ASN A 41 -3.940 4.145 -9.533 1.00 0.00 O ATOM 591 ND2 ASN A 41 -6.186 4.162 -9.531 1.00 0.00 N ATOM 0 H ASN A 41 -7.305 2.742 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.400 2.493 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.798 5.144 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.076 4.828 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.233 4.038 -10.542 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.045 4.236 -8.986 1.00 0.00 H new ATOM 598 N ALA A 42 -6.109 2.380 -4.506 1.00 0.00 N ATOM 599 CA ALA A 42 -6.475 2.528 -3.102 1.00 0.00 C ATOM 600 C ALA A 42 -5.238 2.701 -2.228 1.00 0.00 C ATOM 601 O ALA A 42 -5.102 3.699 -1.520 1.00 0.00 O ATOM 602 CB ALA A 42 -7.287 1.327 -2.639 1.00 0.00 C ATOM 0 H ALA A 42 -6.240 1.440 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.086 3.425 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.553 1.451 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.195 1.249 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.695 0.420 -2.759 1.00 0.00 H new ATOM 608 N ALA A 43 -4.339 1.724 -2.281 1.00 0.00 N ATOM 609 CA ALA A 43 -3.112 1.770 -1.495 1.00 0.00 C ATOM 610 C ALA A 43 -1.892 1.480 -2.363 1.00 0.00 C ATOM 611 O ALA A 43 -1.604 0.327 -2.681 1.00 0.00 O ATOM 612 CB ALA A 43 -3.188 0.782 -0.341 1.00 0.00 C ATOM 0 H ALA A 43 -4.437 0.890 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.006 2.777 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.265 0.827 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.032 1.036 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.322 -0.226 -0.733 1.00 0.00 H new ATOM 618 N VAL A 44 -1.179 2.535 -2.744 1.00 0.00 N ATOM 619 CA VAL A 44 0.011 2.394 -3.575 1.00 0.00 C ATOM 620 C VAL A 44 1.277 2.674 -2.774 1.00 0.00 C ATOM 621 O VAL A 44 1.562 3.820 -2.422 1.00 0.00 O ATOM 622 CB VAL A 44 -0.037 3.341 -4.788 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.239 3.223 -5.608 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.259 3.049 -5.645 1.00 0.00 C ATOM 0 H VAL A 44 -1.405 3.497 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 44 0.030 1.363 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.114 4.365 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.187 3.899 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.096 3.486 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.350 2.199 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.276 3.728 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.216 2.020 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.162 3.190 -5.051 1.00 0.00 H new ATOM 634 N CYS A 45 2.036 1.621 -2.489 1.00 0.00 N ATOM 635 CA CYS A 45 3.273 1.752 -1.729 1.00 0.00 C ATOM 636 C CYS A 45 4.268 2.647 -2.461 1.00 0.00 C ATOM 637 O CYS A 45 4.755 2.321 -3.544 1.00 0.00 O ATOM 638 CB CYS A 45 3.893 0.376 -1.483 1.00 0.00 C ATOM 639 SG CYS A 45 5.151 0.352 -0.165 1.00 0.00 S ATOM 0 H CYS A 45 1.815 0.667 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 45 3.034 2.212 -0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.101 -0.327 -1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.346 0.022 -2.409 1.00 0.00 H new ATOM 0 HG CYS A 45 5.697 1.528 -0.065 1.00 0.00 H new ATOM 644 N PRO A 46 4.579 3.804 -1.857 1.00 0.00 N ATOM 645 CA PRO A 46 5.520 4.770 -2.433 1.00 0.00 C ATOM 646 C PRO A 46 6.957 4.261 -2.415 1.00 0.00 C ATOM 647 O PRO A 46 7.889 4.993 -2.749 1.00 0.00 O ATOM 648 CB PRO A 46 5.374 5.992 -1.524 1.00 0.00 C ATOM 649 CG PRO A 46 4.897 5.443 -0.224 1.00 0.00 C ATOM 650 CD PRO A 46 4.037 4.258 -0.566 1.00 0.00 C ATOM 0 HA PRO A 46 5.304 4.974 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.323 6.515 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.663 6.709 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.736 5.148 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.329 6.190 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.105 3.480 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.986 4.534 -0.646 1.00 0.00 H new ATOM 658 N TYR A 47 7.129 3.003 -2.024 1.00 0.00 N ATOM 659 CA TYR A 47 8.454 2.397 -1.961 1.00 0.00 C ATOM 660 C TYR A 47 8.684 1.465 -3.146 1.00 0.00 C ATOM 661 O TYR A 47 9.617 1.653 -3.928 1.00 0.00 O ATOM 662 CB TYR A 47 8.623 1.626 -0.651 1.00 0.00 C ATOM 663 CG TYR A 47 8.459 2.484 0.583 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.961 3.780 0.623 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.805 2.001 1.709 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.815 4.568 1.748 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.652 2.782 2.837 1.00 0.00 C ATOM 668 CZ TYR A 47 8.159 4.065 2.852 1.00 0.00 C ATOM 669 OH TYR A 47 8.011 4.846 3.976 1.00 0.00 O ATOM 0 H TYR A 47 6.368 2.383 -1.746 1.00 0.00 H new ATOM 0 HA TYR A 47 9.194 3.197 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.894 0.816 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.611 1.166 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.474 4.177 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.409 0.996 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.212 5.572 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.138 2.391 3.703 1.00 0.00 H new ATOM 0 HH TYR A 47 7.525 4.343 4.662 1.00 0.00 H new ATOM 679 N CYS A 48 7.825 0.458 -3.274 1.00 0.00 N ATOM 680 CA CYS A 48 7.932 -0.505 -4.363 1.00 0.00 C ATOM 681 C CYS A 48 6.839 -0.274 -5.403 1.00 0.00 C ATOM 682 O CYS A 48 6.773 -0.971 -6.415 1.00 0.00 O ATOM 683 CB CYS A 48 7.842 -1.932 -3.820 1.00 0.00 C ATOM 684 SG CYS A 48 6.318 -2.276 -2.882 1.00 0.00 S ATOM 0 H CYS A 48 7.047 0.288 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 48 8.901 -0.367 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.909 -2.631 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.702 -2.120 -3.177 1.00 0.00 H new ATOM 0 HG CYS A 48 6.132 -1.341 -1.998 1.00 0.00 H new ATOM 689 N SER A 49 5.982 0.709 -5.144 1.00 0.00 N ATOM 690 CA SER A 49 4.889 1.030 -6.055 1.00 0.00 C ATOM 691 C SER A 49 3.917 -0.140 -6.169 1.00 0.00 C ATOM 692 O SER A 49 3.582 -0.579 -7.271 1.00 0.00 O ATOM 693 CB SER A 49 5.438 1.389 -7.437 1.00 0.00 C ATOM 694 OG SER A 49 5.922 2.721 -7.463 1.00 0.00 O ATOM 0 H SER A 49 6.023 1.297 -4.311 1.00 0.00 H new ATOM 0 HA SER A 49 4.352 1.888 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.241 0.702 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.655 1.269 -8.185 1.00 0.00 H new ATOM 0 HG SER A 49 6.269 2.926 -8.356 1.00 0.00 H new ATOM 700 N LEU A 50 3.465 -0.640 -5.024 1.00 0.00 N ATOM 701 CA LEU A 50 2.530 -1.759 -4.994 1.00 0.00 C ATOM 702 C LEU A 50 1.094 -1.274 -5.167 1.00 0.00 C ATOM 703 O LEU A 50 0.851 -0.086 -5.377 1.00 0.00 O ATOM 704 CB LEU A 50 2.666 -2.528 -3.679 1.00 0.00 C ATOM 705 CG LEU A 50 3.602 -3.737 -3.702 1.00 0.00 C ATOM 706 CD1 LEU A 50 4.025 -4.111 -2.290 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.932 -4.917 -4.390 1.00 0.00 C ATOM 0 H LEU A 50 3.731 -0.288 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 50 2.771 -2.424 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.016 -1.837 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.675 -2.866 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 50 4.494 -3.471 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.691 -4.973 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.545 -3.270 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.143 -4.358 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.613 -5.768 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.023 -5.184 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.680 -4.645 -5.415 1.00 0.00 H new ATOM 719 N ARG A 51 0.147 -2.201 -5.074 1.00 0.00 N ATOM 720 CA ARG A 51 -1.265 -1.868 -5.219 1.00 0.00 C ATOM 721 C ARG A 51 -2.136 -2.834 -4.421 1.00 0.00 C ATOM 722 O ARG A 51 -2.333 -3.982 -4.819 1.00 0.00 O ATOM 723 CB ARG A 51 -1.670 -1.898 -6.694 1.00 0.00 C ATOM 724 CG ARG A 51 -1.127 -0.728 -7.498 1.00 0.00 C ATOM 725 CD ARG A 51 -2.052 -0.368 -8.651 1.00 0.00 C ATOM 726 NE ARG A 51 -1.392 0.484 -9.636 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.893 0.032 -10.781 1.00 0.00 C ATOM 728 NH1 ARG A 51 -0.979 -1.256 -11.084 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.307 0.870 -11.627 1.00 0.00 N ATOM 0 H ARG A 51 0.332 -3.189 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.417 -0.862 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.319 -2.829 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.758 -1.902 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.003 0.137 -6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.140 -0.979 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.399 -1.280 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.934 0.142 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.310 1.480 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.429 -1.903 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.595 -1.600 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.240 1.862 -11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.076 0.522 -12.506 1.00 0.00 H new ATOM 743 N PHE A 52 -2.656 -2.361 -3.293 1.00 0.00 N ATOM 744 CA PHE A 52 -3.505 -3.183 -2.439 1.00 0.00 C ATOM 745 C PHE A 52 -4.964 -2.747 -2.541 1.00 0.00 C ATOM 746 O PHE A 52 -5.275 -1.718 -3.141 1.00 0.00 O ATOM 747 CB PHE A 52 -3.036 -3.098 -0.985 1.00 0.00 C ATOM 748 CG PHE A 52 -1.627 -3.578 -0.780 1.00 0.00 C ATOM 749 CD1 PHE A 52 -0.556 -2.715 -0.951 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.375 -4.891 -0.417 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.741 -3.155 -0.764 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.080 -5.336 -0.229 1.00 0.00 C ATOM 753 CZ PHE A 52 0.979 -4.466 -0.401 1.00 0.00 C ATOM 0 H PHE A 52 -2.504 -1.413 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.428 -4.216 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.112 -2.065 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.707 -3.688 -0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.737 -1.688 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.200 -5.575 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.568 -2.474 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.104 -6.363 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.992 -4.811 -0.252 1.00 0.00 H new ATOM 763 N PHE A 53 -5.854 -3.538 -1.951 1.00 0.00 N ATOM 764 CA PHE A 53 -7.280 -3.236 -1.977 1.00 0.00 C ATOM 765 C PHE A 53 -7.618 -2.122 -0.990 1.00 0.00 C ATOM 766 O PHE A 53 -8.386 -1.213 -1.303 1.00 0.00 O ATOM 767 CB PHE A 53 -8.094 -4.489 -1.647 1.00 0.00 C ATOM 768 CG PHE A 53 -9.434 -4.190 -1.036 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.339 -3.368 -1.688 1.00 0.00 C ATOM 770 CD2 PHE A 53 -9.787 -4.731 0.190 1.00 0.00 C ATOM 771 CE1 PHE A 53 -11.573 -3.091 -1.129 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.019 -4.458 0.753 1.00 0.00 C ATOM 773 CZ PHE A 53 -11.912 -3.636 0.094 1.00 0.00 C ATOM 0 H PHE A 53 -5.613 -4.393 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.536 -2.898 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.240 -5.068 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.522 -5.114 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.078 -2.939 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.092 -5.373 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.270 -2.450 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.284 -4.887 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.874 -3.420 0.534 1.00 0.00 H new ATOM 783 N SER A 54 -7.039 -2.202 0.204 1.00 0.00 N ATOM 784 CA SER A 54 -7.281 -1.204 1.239 1.00 0.00 C ATOM 785 C SER A 54 -6.007 -0.423 1.550 1.00 0.00 C ATOM 786 O SER A 54 -4.891 -0.909 1.368 1.00 0.00 O ATOM 787 CB SER A 54 -7.804 -1.874 2.511 1.00 0.00 C ATOM 788 OG SER A 54 -9.218 -1.975 2.489 1.00 0.00 O ATOM 0 H SER A 54 -6.399 -2.948 0.478 1.00 0.00 H new ATOM 0 HA SER A 54 -8.033 -0.507 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.367 -2.868 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.491 -1.300 3.383 1.00 0.00 H new ATOM 0 HG SER A 54 -9.483 -2.733 1.927 1.00 0.00 H new ATOM 794 N PRO A 55 -6.177 0.818 2.029 1.00 0.00 N ATOM 795 CA PRO A 55 -5.053 1.693 2.375 1.00 0.00 C ATOM 796 C PRO A 55 -4.304 1.212 3.613 1.00 0.00 C ATOM 797 O PRO A 55 -3.301 1.804 4.011 1.00 0.00 O ATOM 798 CB PRO A 55 -5.725 3.042 2.647 1.00 0.00 C ATOM 799 CG PRO A 55 -7.118 2.697 3.048 1.00 0.00 C ATOM 800 CD PRO A 55 -7.479 1.462 2.270 1.00 0.00 C ATOM 0 HA PRO A 55 -4.303 1.726 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.210 3.589 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.714 3.676 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.181 2.515 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.803 3.514 2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.150 0.814 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.984 1.709 1.336 1.00 0.00 H new ATOM 808 N GLU A 56 -4.798 0.136 4.217 1.00 0.00 N ATOM 809 CA GLU A 56 -4.174 -0.423 5.411 1.00 0.00 C ATOM 810 C GLU A 56 -3.162 -1.504 5.040 1.00 0.00 C ATOM 811 O GLU A 56 -2.152 -1.685 5.722 1.00 0.00 O ATOM 812 CB GLU A 56 -5.238 -1.003 6.345 1.00 0.00 C ATOM 813 CG GLU A 56 -5.812 0.012 7.318 1.00 0.00 C ATOM 814 CD GLU A 56 -6.613 -0.635 8.432 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.012 -0.988 9.468 1.00 0.00 O ATOM 816 OE2 GLU A 56 -7.842 -0.788 8.266 1.00 0.00 O ATOM 0 H GLU A 56 -5.627 -0.366 3.900 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.648 0.381 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.048 -1.418 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.804 -1.829 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.999 0.594 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.450 0.710 6.775 1.00 0.00 H new ATOM 823 N LEU A 57 -3.441 -2.220 3.957 1.00 0.00 N ATOM 824 CA LEU A 57 -2.556 -3.284 3.494 1.00 0.00 C ATOM 825 C LEU A 57 -1.179 -2.732 3.142 1.00 0.00 C ATOM 826 O LEU A 57 -0.167 -3.418 3.289 1.00 0.00 O ATOM 827 CB LEU A 57 -3.163 -3.986 2.278 1.00 0.00 C ATOM 828 CG LEU A 57 -4.061 -5.187 2.576 1.00 0.00 C ATOM 829 CD1 LEU A 57 -4.914 -5.529 1.364 1.00 0.00 C ATOM 830 CD2 LEU A 57 -3.225 -6.387 2.997 1.00 0.00 C ATOM 0 H LEU A 57 -4.273 -2.084 3.383 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.442 -4.006 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.743 -3.256 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.350 -4.317 1.631 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.725 -4.924 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.547 -6.386 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.540 -4.675 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.267 -5.772 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.881 -7.232 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.537 -6.651 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.658 -6.139 3.894 1.00 0.00 H new ATOM 842 N LYS A 58 -1.146 -1.487 2.679 1.00 0.00 N ATOM 843 CA LYS A 58 0.107 -0.840 2.309 1.00 0.00 C ATOM 844 C LYS A 58 0.894 -0.429 3.549 1.00 0.00 C ATOM 845 O LYS A 58 2.124 -0.447 3.549 1.00 0.00 O ATOM 846 CB LYS A 58 -0.167 0.386 1.435 1.00 0.00 C ATOM 847 CG LYS A 58 -0.694 1.580 2.211 1.00 0.00 C ATOM 848 CD LYS A 58 0.438 2.440 2.749 1.00 0.00 C ATOM 849 CE LYS A 58 0.698 3.642 1.855 1.00 0.00 C ATOM 850 NZ LYS A 58 1.375 3.253 0.586 1.00 0.00 N ATOM 0 H LYS A 58 -1.974 -0.905 2.551 1.00 0.00 H new ATOM 0 HA LYS A 58 0.703 -1.556 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.753 0.672 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.888 0.118 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.333 2.181 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.313 1.233 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.192 2.780 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.345 1.841 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.246 4.136 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.315 4.365 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.474 4.089 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.317 2.867 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.808 2.532 0.097 1.00 0.00 H new ATOM 864 N GLN A 59 0.175 -0.059 4.605 1.00 0.00 N ATOM 865 CA GLN A 59 0.807 0.356 5.851 1.00 0.00 C ATOM 866 C GLN A 59 1.563 -0.804 6.491 1.00 0.00 C ATOM 867 O GLN A 59 2.739 -0.678 6.830 1.00 0.00 O ATOM 868 CB GLN A 59 -0.242 0.895 6.825 1.00 0.00 C ATOM 869 CG GLN A 59 -1.002 2.100 6.295 1.00 0.00 C ATOM 870 CD GLN A 59 -1.562 2.971 7.402 1.00 0.00 C ATOM 871 OE1 GLN A 59 -0.828 3.429 8.279 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.869 3.204 7.369 1.00 0.00 N ATOM 0 H GLN A 59 -0.845 -0.038 4.622 1.00 0.00 H new ATOM 0 HA GLN A 59 1.520 1.148 5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.952 0.101 7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.248 1.167 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.338 2.697 5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.818 1.758 5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.440 2.805 6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.302 3.782 8.089 1.00 0.00 H new ATOM 881 N GLU A 60 0.879 -1.932 6.652 1.00 0.00 N ATOM 882 CA GLU A 60 1.488 -3.114 7.253 1.00 0.00 C ATOM 883 C GLU A 60 2.706 -3.565 6.452 1.00 0.00 C ATOM 884 O GLU A 60 3.727 -3.953 7.020 1.00 0.00 O ATOM 885 CB GLU A 60 0.469 -4.252 7.337 1.00 0.00 C ATOM 886 CG GLU A 60 -0.236 -4.537 6.021 1.00 0.00 C ATOM 887 CD GLU A 60 0.506 -5.548 5.169 1.00 0.00 C ATOM 888 OE1 GLU A 60 1.662 -5.876 5.508 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.070 -6.011 4.162 1.00 0.00 O ATOM 0 H GLU A 60 -0.095 -2.053 6.375 1.00 0.00 H new ATOM 0 HA GLU A 60 1.814 -2.852 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.975 -5.157 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.277 -4.006 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.241 -4.907 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.345 -3.607 5.463 1.00 0.00 H new ATOM 896 N HIS A 61 2.590 -3.512 5.129 1.00 0.00 N ATOM 897 CA HIS A 61 3.681 -3.915 4.249 1.00 0.00 C ATOM 898 C HIS A 61 4.833 -2.916 4.319 1.00 0.00 C ATOM 899 O HIS A 61 5.978 -3.293 4.568 1.00 0.00 O ATOM 900 CB HIS A 61 3.184 -4.037 2.808 1.00 0.00 C ATOM 901 CG HIS A 61 4.279 -3.964 1.789 1.00 0.00 C ATOM 902 ND1 HIS A 61 5.057 -5.048 1.441 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.723 -2.928 1.040 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.933 -4.682 0.523 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.752 -3.400 0.261 1.00 0.00 N ATOM 0 H HIS A 61 1.752 -3.194 4.643 1.00 0.00 H new ATOM 0 HA HIS A 61 4.044 -4.887 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.655 -4.983 2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.463 -3.243 2.612 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.970 -5.986 1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.340 -1.918 1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.672 -5.322 0.064 1.00 0.00 H new ATOM 913 N GLU A 62 4.520 -1.643 4.098 1.00 0.00 N ATOM 914 CA GLU A 62 5.530 -0.592 4.135 1.00 0.00 C ATOM 915 C GLU A 62 6.543 -0.849 5.247 1.00 0.00 C ATOM 916 O GLU A 62 7.751 -0.743 5.037 1.00 0.00 O ATOM 917 CB GLU A 62 4.870 0.773 4.337 1.00 0.00 C ATOM 918 CG GLU A 62 4.582 1.509 3.039 1.00 0.00 C ATOM 919 CD GLU A 62 3.747 2.757 3.249 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.149 2.894 4.337 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.691 3.596 2.326 1.00 0.00 O ATOM 0 H GLU A 62 3.576 -1.315 3.892 1.00 0.00 H new ATOM 0 HA GLU A 62 6.056 -0.596 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.936 0.638 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.517 1.391 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.524 1.782 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.062 0.840 2.354 1.00 0.00 H new ATOM 928 N SER A 63 6.041 -1.188 6.430 1.00 0.00 N ATOM 929 CA SER A 63 6.900 -1.457 7.576 1.00 0.00 C ATOM 930 C SER A 63 7.903 -2.562 7.257 1.00 0.00 C ATOM 931 O SER A 63 9.075 -2.478 7.624 1.00 0.00 O ATOM 932 CB SER A 63 6.058 -1.852 8.791 1.00 0.00 C ATOM 933 OG SER A 63 6.711 -1.504 9.999 1.00 0.00 O ATOM 0 H SER A 63 5.043 -1.283 6.619 1.00 0.00 H new ATOM 0 HA SER A 63 7.451 -0.545 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.089 -1.356 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.868 -2.925 8.773 1.00 0.00 H new ATOM 0 HG SER A 63 6.152 -1.765 10.760 1.00 0.00 H new ATOM 939 N LYS A 64 7.433 -3.598 6.571 1.00 0.00 N ATOM 940 CA LYS A 64 8.286 -4.721 6.200 1.00 0.00 C ATOM 941 C LYS A 64 8.595 -4.698 4.706 1.00 0.00 C ATOM 942 O LYS A 64 8.887 -5.734 4.107 1.00 0.00 O ATOM 943 CB LYS A 64 7.613 -6.044 6.572 1.00 0.00 C ATOM 944 CG LYS A 64 6.263 -6.248 5.907 1.00 0.00 C ATOM 945 CD LYS A 64 5.335 -7.082 6.773 1.00 0.00 C ATOM 946 CE LYS A 64 5.699 -8.558 6.721 1.00 0.00 C ATOM 947 NZ LYS A 64 4.612 -9.418 7.264 1.00 0.00 N ATOM 0 H LYS A 64 6.465 -3.683 6.260 1.00 0.00 H new ATOM 0 HA LYS A 64 9.223 -4.631 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.272 -6.867 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.486 -6.086 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.804 -5.279 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.401 -6.738 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.384 -6.730 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.306 -6.948 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.907 -8.844 5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.613 -8.727 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.900 -10.416 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.430 -9.163 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.746 -9.277 6.706 1.00 0.00 H new ATOM 961 N CYS A 65 8.532 -3.512 4.111 1.00 0.00 N ATOM 962 CA CYS A 65 8.806 -3.354 2.688 1.00 0.00 C ATOM 963 C CYS A 65 10.307 -3.395 2.416 1.00 0.00 C ATOM 964 O CYS A 65 11.069 -2.600 2.964 1.00 0.00 O ATOM 965 CB CYS A 65 8.220 -2.036 2.178 1.00 0.00 C ATOM 966 SG CYS A 65 8.528 -1.721 0.410 1.00 0.00 S ATOM 0 H CYS A 65 8.293 -2.645 4.593 1.00 0.00 H new ATOM 0 HA CYS A 65 8.335 -4.182 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.144 -2.037 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.638 -1.215 2.761 1.00 0.00 H new ATOM 0 HG CYS A 65 7.554 -2.215 -0.295 1.00 0.00 H new ATOM 971 N GLU A 66 10.723 -4.328 1.565 1.00 0.00 N ATOM 972 CA GLU A 66 12.133 -4.473 1.221 1.00 0.00 C ATOM 973 C GLU A 66 12.624 -3.270 0.422 1.00 0.00 C ATOM 974 O GLU A 66 13.826 -3.015 0.338 1.00 0.00 O ATOM 975 CB GLU A 66 12.355 -5.757 0.418 1.00 0.00 C ATOM 976 CG GLU A 66 11.318 -5.983 -0.669 1.00 0.00 C ATOM 977 CD GLU A 66 10.105 -6.744 -0.170 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.930 -6.840 1.063 1.00 0.00 O ATOM 979 OE2 GLU A 66 9.331 -7.244 -1.013 1.00 0.00 O ATOM 0 H GLU A 66 10.105 -4.994 1.102 1.00 0.00 H new ATOM 0 HA GLU A 66 12.703 -4.529 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.345 -5.724 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.346 -6.608 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.999 -5.020 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.774 -6.533 -1.492 1.00 0.00 H new ATOM 986 N TYR A 67 11.687 -2.533 -0.164 1.00 0.00 N ATOM 987 CA TYR A 67 12.023 -1.358 -0.959 1.00 0.00 C ATOM 988 C TYR A 67 12.103 -0.112 -0.083 1.00 0.00 C ATOM 989 O TYR A 67 12.728 0.882 -0.451 1.00 0.00 O ATOM 990 CB TYR A 67 10.988 -1.152 -2.066 1.00 0.00 C ATOM 991 CG TYR A 67 11.318 -1.883 -3.348 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.719 -3.213 -3.329 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.228 -1.243 -4.578 1.00 0.00 C ATOM 994 CE1 TYR A 67 12.022 -3.884 -4.498 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.527 -1.907 -5.752 1.00 0.00 C ATOM 996 CZ TYR A 67 11.924 -3.227 -5.706 1.00 0.00 C ATOM 997 OH TYR A 67 12.224 -3.893 -6.873 1.00 0.00 O ATOM 0 H TYR A 67 10.688 -2.729 -0.103 1.00 0.00 H new ATOM 0 HA TYR A 67 13.000 -1.525 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 67 10.014 -1.486 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.902 -0.086 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.795 -3.731 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.919 -0.209 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.334 -4.917 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.450 -1.395 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 67 12.103 -3.289 -7.635 1.00 0.00 H new ATOM 1007 N LYS A 68 11.465 -0.174 1.081 1.00 0.00 N ATOM 1008 CA LYS A 68 11.464 0.947 2.014 1.00 0.00 C ATOM 1009 C LYS A 68 12.888 1.375 2.353 1.00 0.00 C ATOM 1010 O LYS A 68 13.276 2.520 2.119 1.00 0.00 O ATOM 1011 CB LYS A 68 10.715 0.571 3.294 1.00 0.00 C ATOM 1012 CG LYS A 68 10.872 1.587 4.412 1.00 0.00 C ATOM 1013 CD LYS A 68 9.667 1.590 5.337 1.00 0.00 C ATOM 1014 CE LYS A 68 9.740 2.728 6.344 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.789 2.531 7.473 1.00 0.00 N ATOM 0 H LYS A 68 10.942 -0.989 1.401 1.00 0.00 H new ATOM 0 HA LYS A 68 10.956 1.784 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.656 0.457 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.072 -0.398 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.771 1.362 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.006 2.581 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.755 1.682 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.610 0.638 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.755 2.804 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.519 3.671 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.869 3.327 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.818 2.484 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.015 1.644 7.967 1.00 0.00 H new ATOM 1029 N LYS A 69 13.664 0.448 2.903 1.00 0.00 N ATOM 1030 CA LYS A 69 15.047 0.727 3.272 1.00 0.00 C ATOM 1031 C LYS A 69 15.827 1.275 2.081 1.00 0.00 C ATOM 1032 O LYS A 69 16.735 2.092 2.243 1.00 0.00 O ATOM 1033 CB LYS A 69 15.722 -0.541 3.799 1.00 0.00 C ATOM 1034 CG LYS A 69 16.156 -1.499 2.703 1.00 0.00 C ATOM 1035 CD LYS A 69 16.526 -2.860 3.267 1.00 0.00 C ATOM 1036 CE LYS A 69 16.419 -3.950 2.211 1.00 0.00 C ATOM 1037 NZ LYS A 69 16.851 -5.275 2.735 1.00 0.00 N ATOM 0 H LYS A 69 13.359 -0.504 3.103 1.00 0.00 H new ATOM 0 HA LYS A 69 15.042 1.481 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.593 -0.260 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.035 -1.057 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.351 -1.612 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.010 -1.081 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.543 -2.829 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.871 -3.098 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.389 -4.016 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.032 -3.683 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.763 -5.990 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.842 -5.219 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.250 -5.542 3.541 1.00 0.00 H new ATOM 1051 N LEU A 70 15.469 0.821 0.886 1.00 0.00 N ATOM 1052 CA LEU A 70 16.135 1.266 -0.333 1.00 0.00 C ATOM 1053 C LEU A 70 15.488 2.537 -0.874 1.00 0.00 C ATOM 1054 O LEU A 70 15.656 2.884 -2.044 1.00 0.00 O ATOM 1055 CB LEU A 70 16.088 0.166 -1.395 1.00 0.00 C ATOM 1056 CG LEU A 70 16.627 -1.201 -0.970 1.00 0.00 C ATOM 1057 CD1 LEU A 70 16.299 -2.253 -2.017 1.00 0.00 C ATOM 1058 CD2 LEU A 70 18.128 -1.131 -0.732 1.00 0.00 C ATOM 0 H LEU A 70 14.721 0.145 0.735 1.00 0.00 H new ATOM 0 HA LEU A 70 17.175 1.484 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.054 0.043 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.653 0.503 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 70 16.144 -1.487 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.690 -3.219 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.218 -2.321 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.753 -1.974 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.495 -2.112 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.628 -0.823 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.338 -0.407 0.056 1.00 0.00 H new ATOM 1070 N THR A 71 14.749 3.231 -0.014 1.00 0.00 N ATOM 1071 CA THR A 71 14.078 4.464 -0.404 1.00 0.00 C ATOM 1072 C THR A 71 14.623 5.657 0.374 1.00 0.00 C ATOM 1073 O THR A 71 14.461 5.743 1.592 1.00 0.00 O ATOM 1074 CB THR A 71 12.557 4.372 -0.179 1.00 0.00 C ATOM 1075 OG1 THR A 71 12.024 3.249 -0.890 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.863 5.645 -0.638 1.00 0.00 C ATOM 0 H THR A 71 14.600 2.959 0.958 1.00 0.00 H new ATOM 0 HA THR A 71 14.273 4.606 -1.467 1.00 0.00 H new ATOM 0 HB THR A 71 12.377 4.245 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.220 2.426 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.790 5.556 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.250 6.494 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.051 5.799 -1.701 1.00 0.00 H new ATOM 1084 N CYS A 72 15.269 6.575 -0.336 1.00 0.00 N ATOM 1085 CA CYS A 72 15.839 7.763 0.287 1.00 0.00 C ATOM 1086 C CYS A 72 14.744 8.757 0.666 1.00 0.00 C ATOM 1087 O CYS A 72 14.318 9.571 -0.154 1.00 0.00 O ATOM 1088 CB CYS A 72 16.842 8.429 -0.658 1.00 0.00 C ATOM 1089 SG CYS A 72 17.926 9.651 0.150 1.00 0.00 S ATOM 0 H CYS A 72 15.411 6.519 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 72 16.356 7.454 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.461 7.657 -1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.296 8.920 -1.463 1.00 0.00 H new ATOM 0 HG CYS A 72 18.739 10.158 -0.729 1.00 0.00 H new ATOM 1094 N LEU A 73 14.293 8.683 1.913 1.00 0.00 N ATOM 1095 CA LEU A 73 13.248 9.576 2.403 1.00 0.00 C ATOM 1096 C LEU A 73 13.672 11.035 2.271 1.00 0.00 C ATOM 1097 O LEU A 73 12.843 11.913 2.034 1.00 0.00 O ATOM 1098 CB LEU A 73 12.921 9.258 3.863 1.00 0.00 C ATOM 1099 CG LEU A 73 12.664 7.786 4.188 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.470 7.596 5.684 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.454 7.274 3.421 1.00 0.00 C ATOM 0 H LEU A 73 14.634 8.014 2.603 1.00 0.00 H new ATOM 0 HA LEU A 73 12.357 9.420 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.746 9.608 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.040 9.832 4.151 1.00 0.00 H new ATOM 0 HG LEU A 73 13.535 7.208 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.288 6.542 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.366 7.923 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.616 8.186 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.286 6.225 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.575 7.856 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.633 7.374 2.350 1.00 0.00 H new ATOM 1113 N GLU A 74 14.969 11.285 2.424 1.00 0.00 N ATOM 1114 CA GLU A 74 15.503 12.638 2.321 1.00 0.00 C ATOM 1115 C GLU A 74 14.987 13.332 1.063 1.00 0.00 C ATOM 1116 O GLU A 74 14.359 14.388 1.136 1.00 0.00 O ATOM 1117 CB GLU A 74 17.033 12.608 2.309 1.00 0.00 C ATOM 1118 CG GLU A 74 17.637 11.946 3.536 1.00 0.00 C ATOM 1119 CD GLU A 74 17.487 12.789 4.787 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.334 13.072 5.175 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.520 13.165 5.378 1.00 0.00 O ATOM 0 H GLU A 74 15.669 10.569 2.620 1.00 0.00 H new ATOM 0 HA GLU A 74 15.165 13.201 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.371 12.079 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.408 13.629 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.160 10.979 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.695 11.754 3.357 1.00 0.00 H new ATOM 1128 N CYS A 75 15.259 12.730 -0.091 1.00 0.00 N ATOM 1129 CA CYS A 75 14.824 13.289 -1.365 1.00 0.00 C ATOM 1130 C CYS A 75 13.869 12.337 -2.079 1.00 0.00 C ATOM 1131 O CYS A 75 13.715 12.394 -3.298 1.00 0.00 O ATOM 1132 CB CYS A 75 16.033 13.578 -2.257 1.00 0.00 C ATOM 1133 SG CYS A 75 16.964 12.093 -2.754 1.00 0.00 S ATOM 0 H CYS A 75 15.778 11.856 -0.169 1.00 0.00 H new ATOM 0 HA CYS A 75 14.297 14.222 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.694 14.098 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.705 14.256 -1.731 1.00 0.00 H new ATOM 0 HG CYS A 75 17.221 11.371 -1.704 1.00 0.00 H new ATOM 1138 N MET A 76 13.230 11.461 -1.309 1.00 0.00 N ATOM 1139 CA MET A 76 12.288 10.498 -1.867 1.00 0.00 C ATOM 1140 C MET A 76 12.839 9.879 -3.148 1.00 0.00 C ATOM 1141 O MET A 76 12.190 9.912 -4.194 1.00 0.00 O ATOM 1142 CB MET A 76 10.944 11.171 -2.150 1.00 0.00 C ATOM 1143 CG MET A 76 9.975 11.107 -0.980 1.00 0.00 C ATOM 1144 SD MET A 76 9.039 9.567 -0.938 1.00 0.00 S ATOM 1145 CE MET A 76 10.062 8.578 0.150 1.00 0.00 C ATOM 0 H MET A 76 13.348 11.399 -0.298 1.00 0.00 H new ATOM 0 HA MET A 76 12.141 9.705 -1.134 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.117 12.215 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.485 10.697 -3.018 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.529 11.216 -0.048 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.283 11.947 -1.040 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.518 7.681 0.446 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.976 8.292 -0.370 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.316 9.158 1.038 1.00 0.00 H new ATOM 1155 N ARG A 77 14.039 9.315 -3.059 1.00 0.00 N ATOM 1156 CA ARG A 77 14.677 8.691 -4.212 1.00 0.00 C ATOM 1157 C ARG A 77 14.943 7.211 -3.950 1.00 0.00 C ATOM 1158 O ARG A 77 15.845 6.855 -3.191 1.00 0.00 O ATOM 1159 CB ARG A 77 15.989 9.404 -4.545 1.00 0.00 C ATOM 1160 CG ARG A 77 15.803 10.658 -5.384 1.00 0.00 C ATOM 1161 CD ARG A 77 17.126 11.151 -5.949 1.00 0.00 C ATOM 1162 NE ARG A 77 16.966 12.373 -6.732 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.984 13.064 -7.233 1.00 0.00 C ATOM 1164 NH1 ARG A 77 19.229 12.653 -7.036 1.00 0.00 N ATOM 1165 NH2 ARG A 77 17.758 14.167 -7.934 1.00 0.00 N ATOM 0 H ARG A 77 14.589 9.277 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 77 13.999 8.777 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.495 9.670 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.643 8.714 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.112 10.451 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.352 11.441 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.824 11.333 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.565 10.374 -6.575 1.00 0.00 H new ATOM 0 HE ARG A 77 16.020 12.715 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.407 11.804 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.009 13.185 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.802 14.486 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.541 14.697 -8.318 1.00 0.00 H new ATOM 1179 N THR A 78 14.151 6.351 -4.583 1.00 0.00 N ATOM 1180 CA THR A 78 14.300 4.911 -4.418 1.00 0.00 C ATOM 1181 C THR A 78 15.309 4.345 -5.410 1.00 0.00 C ATOM 1182 O THR A 78 15.355 4.758 -6.569 1.00 0.00 O ATOM 1183 CB THR A 78 12.954 4.183 -4.601 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.948 4.803 -3.792 1.00 0.00 O ATOM 1185 CG2 THR A 78 13.079 2.714 -4.226 1.00 0.00 C ATOM 0 H THR A 78 13.400 6.627 -5.215 1.00 0.00 H new ATOM 0 HA THR A 78 14.661 4.745 -3.403 1.00 0.00 H new ATOM 0 HB THR A 78 12.668 4.251 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.095 4.336 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.117 2.220 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.825 2.238 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.385 2.629 -3.183 1.00 0.00 H new ATOM 1193 N PHE A 79 16.118 3.397 -4.948 1.00 0.00 N ATOM 1194 CA PHE A 79 17.128 2.774 -5.796 1.00 0.00 C ATOM 1195 C PHE A 79 16.841 1.286 -5.980 1.00 0.00 C ATOM 1196 O PHE A 79 15.825 0.775 -5.509 1.00 0.00 O ATOM 1197 CB PHE A 79 18.520 2.965 -5.191 1.00 0.00 C ATOM 1198 CG PHE A 79 18.982 4.394 -5.190 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.248 5.372 -4.538 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.150 4.759 -5.839 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.671 6.688 -4.536 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.578 6.074 -5.840 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.837 7.039 -5.187 1.00 0.00 C ATOM 0 H PHE A 79 16.094 3.044 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 79 17.094 3.256 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.517 2.592 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.236 2.360 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.336 5.103 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.733 4.008 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.090 7.441 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.490 6.346 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.169 8.067 -5.185 1.00 0.00 H new ATOM 1213 N LYS A 80 17.744 0.597 -6.670 1.00 0.00 N ATOM 1214 CA LYS A 80 17.590 -0.832 -6.917 1.00 0.00 C ATOM 1215 C LYS A 80 18.360 -1.649 -5.884 1.00 0.00 C ATOM 1216 O LYS A 80 17.852 -2.639 -5.358 1.00 0.00 O ATOM 1217 CB LYS A 80 18.077 -1.182 -8.325 1.00 0.00 C ATOM 1218 CG LYS A 80 18.006 -2.665 -8.642 1.00 0.00 C ATOM 1219 CD LYS A 80 16.590 -3.095 -8.987 1.00 0.00 C ATOM 1220 CE LYS A 80 16.179 -2.604 -10.366 1.00 0.00 C ATOM 1221 NZ LYS A 80 14.811 -3.062 -10.733 1.00 0.00 N ATOM 0 H LYS A 80 18.590 1.005 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 80 16.531 -1.078 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.479 -0.634 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.107 -0.844 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.669 -2.892 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.363 -3.238 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.520 -4.182 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.898 -2.706 -8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.216 -1.515 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.893 -2.963 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.568 -2.707 -11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.782 -4.102 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.126 -2.698 -10.040 1.00 0.00 H new ATOM 1235 N SER A 81 19.587 -1.226 -5.597 1.00 0.00 N ATOM 1236 CA SER A 81 20.427 -1.920 -4.628 1.00 0.00 C ATOM 1237 C SER A 81 20.743 -1.018 -3.438 1.00 0.00 C ATOM 1238 O SER A 81 20.806 0.204 -3.571 1.00 0.00 O ATOM 1239 CB SER A 81 21.727 -2.384 -5.289 1.00 0.00 C ATOM 1240 OG SER A 81 22.493 -3.182 -4.403 1.00 0.00 O ATOM 0 H SER A 81 20.021 -0.406 -6.021 1.00 0.00 H new ATOM 0 HA SER A 81 19.879 -2.791 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.498 -2.953 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 81 22.310 -1.517 -5.599 1.00 0.00 H new ATOM 0 HG SER A 81 23.317 -3.467 -4.849 1.00 0.00 H new ATOM 1246 N SER A 82 20.940 -1.631 -2.275 1.00 0.00 N ATOM 1247 CA SER A 82 21.245 -0.885 -1.060 1.00 0.00 C ATOM 1248 C SER A 82 22.559 -0.124 -1.206 1.00 0.00 C ATOM 1249 O SER A 82 22.624 1.080 -0.956 1.00 0.00 O ATOM 1250 CB SER A 82 21.321 -1.832 0.139 1.00 0.00 C ATOM 1251 OG SER A 82 21.193 -1.121 1.358 1.00 0.00 O ATOM 0 H SER A 82 20.894 -2.642 -2.149 1.00 0.00 H new ATOM 0 HA SER A 82 20.444 -0.164 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.532 -2.580 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.270 -2.367 0.124 1.00 0.00 H new ATOM 0 HG SER A 82 21.243 -1.748 2.109 1.00 0.00 H new ATOM 1257 N PHE A 83 23.606 -0.835 -1.611 1.00 0.00 N ATOM 1258 CA PHE A 83 24.920 -0.229 -1.790 1.00 0.00 C ATOM 1259 C PHE A 83 24.845 0.960 -2.744 1.00 0.00 C ATOM 1260 O PHE A 83 25.569 1.943 -2.586 1.00 0.00 O ATOM 1261 CB PHE A 83 25.915 -1.263 -2.321 1.00 0.00 C ATOM 1262 CG PHE A 83 27.336 -0.778 -2.329 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.750 0.180 -3.241 1.00 0.00 C ATOM 1264 CD2 PHE A 83 28.259 -1.280 -1.426 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.058 0.629 -3.251 1.00 0.00 C ATOM 1266 CE2 PHE A 83 29.567 -0.835 -1.431 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.968 0.120 -2.345 1.00 0.00 C ATOM 0 H PHE A 83 23.570 -1.832 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 83 25.263 0.128 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.850 -2.164 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.629 -1.543 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.043 0.581 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 83 27.952 -2.028 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.368 1.377 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 83 30.276 -1.234 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.990 0.468 -2.351 1.00 0.00 H new ATOM 1277 N SER A 84 23.966 0.861 -3.735 1.00 0.00 N ATOM 1278 CA SER A 84 23.799 1.924 -4.718 1.00 0.00 C ATOM 1279 C SER A 84 23.350 3.219 -4.047 1.00 0.00 C ATOM 1280 O SER A 84 24.003 4.255 -4.173 1.00 0.00 O ATOM 1281 CB SER A 84 22.781 1.509 -5.783 1.00 0.00 C ATOM 1282 OG SER A 84 23.408 0.802 -6.839 1.00 0.00 O ATOM 0 H SER A 84 23.358 0.055 -3.879 1.00 0.00 H new ATOM 0 HA SER A 84 24.763 2.097 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.010 0.885 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.283 2.394 -6.179 1.00 0.00 H new ATOM 0 HG SER A 84 22.737 0.546 -7.506 1.00 0.00 H new ATOM 1288 N ILE A 85 22.230 3.151 -3.335 1.00 0.00 N ATOM 1289 CA ILE A 85 21.694 4.316 -2.643 1.00 0.00 C ATOM 1290 C ILE A 85 22.622 4.763 -1.518 1.00 0.00 C ATOM 1291 O ILE A 85 22.838 5.957 -1.315 1.00 0.00 O ATOM 1292 CB ILE A 85 20.298 4.031 -2.059 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.796 5.240 -1.267 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.335 2.792 -1.178 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.331 5.154 -0.897 1.00 0.00 C ATOM 0 H ILE A 85 21.677 2.302 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 85 21.614 5.113 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 85 19.607 3.847 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.387 5.339 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.962 6.143 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.341 2.604 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.654 1.934 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.037 2.949 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.044 6.044 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.730 5.086 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.162 4.269 -0.283 1.00 0.00 H new ATOM 1307 N TRP A 86 23.168 3.795 -0.790 1.00 0.00 N ATOM 1308 CA TRP A 86 24.074 4.088 0.314 1.00 0.00 C ATOM 1309 C TRP A 86 25.071 5.175 -0.073 1.00 0.00 C ATOM 1310 O TRP A 86 25.332 6.096 0.701 1.00 0.00 O ATOM 1311 CB TRP A 86 24.821 2.823 0.738 1.00 0.00 C ATOM 1312 CG TRP A 86 25.671 3.015 1.958 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.255 3.431 3.190 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.083 2.800 2.060 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.323 3.488 4.052 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.456 3.105 3.384 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.068 2.378 1.163 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.771 3.001 3.829 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.373 2.276 1.607 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.715 2.586 2.930 1.00 0.00 C ATOM 0 H TRP A 86 22.999 2.801 -0.945 1.00 0.00 H new ATOM 0 HA TRP A 86 23.479 4.449 1.153 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.098 2.030 0.929 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.451 2.489 -0.086 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.236 3.679 3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.279 3.770 5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.814 2.136 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.037 3.240 4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.143 1.952 0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.744 2.496 3.246 1.00 0.00 H new ATOM 1331 N ARG A 87 25.624 5.063 -1.276 1.00 0.00 N ATOM 1332 CA ARG A 87 26.593 6.036 -1.766 1.00 0.00 C ATOM 1333 C ARG A 87 25.927 7.386 -2.019 1.00 0.00 C ATOM 1334 O ARG A 87 26.523 8.438 -1.784 1.00 0.00 O ATOM 1335 CB ARG A 87 27.251 5.531 -3.051 1.00 0.00 C ATOM 1336 CG ARG A 87 27.999 4.219 -2.877 1.00 0.00 C ATOM 1337 CD ARG A 87 29.406 4.446 -2.347 1.00 0.00 C ATOM 1338 NE ARG A 87 30.316 4.909 -3.391 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.523 5.408 -3.146 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.962 5.506 -1.899 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.292 5.809 -4.150 1.00 0.00 N ATOM 0 H ARG A 87 25.418 4.308 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 87 27.359 6.165 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.485 5.404 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.944 6.289 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.450 3.574 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.049 3.698 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.376 5.179 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.787 3.518 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 87 30.008 4.846 -4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.373 5.198 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.889 5.889 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.957 5.734 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.218 6.192 -3.961 1.00 0.00 H new ATOM 1355 N HIS A 88 24.689 7.347 -2.501 1.00 0.00 N ATOM 1356 CA HIS A 88 23.942 8.567 -2.787 1.00 0.00 C ATOM 1357 C HIS A 88 23.600 9.309 -1.499 1.00 0.00 C ATOM 1358 O HIS A 88 23.411 10.525 -1.504 1.00 0.00 O ATOM 1359 CB HIS A 88 22.661 8.238 -3.555 1.00 0.00 C ATOM 1360 CG HIS A 88 21.627 9.319 -3.485 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.582 10.376 -4.369 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.593 9.500 -2.631 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.566 11.163 -4.060 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.949 10.653 -3.009 1.00 0.00 N ATOM 0 H HIS A 88 24.182 6.485 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 88 24.570 9.212 -3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.911 8.053 -4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.237 7.315 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.324 8.857 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.288 12.069 -4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.128 11.051 -2.553 1.00 0.00 H new ATOM 1372 N GLN A 89 23.522 8.569 -0.398 1.00 0.00 N ATOM 1373 CA GLN A 89 23.201 9.157 0.897 1.00 0.00 C ATOM 1374 C GLN A 89 24.470 9.454 1.690 1.00 0.00 C ATOM 1375 O GLN A 89 24.473 10.303 2.581 1.00 0.00 O ATOM 1376 CB GLN A 89 22.293 8.220 1.696 1.00 0.00 C ATOM 1377 CG GLN A 89 21.023 7.829 0.959 1.00 0.00 C ATOM 1378 CD GLN A 89 20.226 6.768 1.692 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.667 5.626 1.824 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.046 7.140 2.173 1.00 0.00 N ATOM 0 H GLN A 89 23.677 7.561 -0.377 1.00 0.00 H new ATOM 0 HA GLN A 89 22.677 10.096 0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.849 7.317 1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.024 8.702 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.401 8.713 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.282 7.462 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.720 8.097 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.465 6.469 2.675 1.00 0.00 H new ATOM 1389 N VAL A 90 25.547 8.748 1.359 1.00 0.00 N ATOM 1390 CA VAL A 90 26.822 8.936 2.039 1.00 0.00 C ATOM 1391 C VAL A 90 27.687 9.959 1.312 1.00 0.00 C ATOM 1392 O VAL A 90 28.567 10.578 1.909 1.00 0.00 O ATOM 1393 CB VAL A 90 27.599 7.611 2.152 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.999 7.856 2.692 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.845 6.625 3.032 1.00 0.00 C ATOM 0 H VAL A 90 25.561 8.041 0.624 1.00 0.00 H new ATOM 0 HA VAL A 90 26.595 9.302 3.040 1.00 0.00 H new ATOM 0 HB VAL A 90 27.691 7.178 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.532 6.908 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.537 8.524 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.933 8.312 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.408 5.694 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.720 7.048 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.865 6.425 2.598 1.00 0.00 H new ATOM 1405 N GLU A 91 27.430 10.131 0.019 1.00 0.00 N ATOM 1406 CA GLU A 91 28.187 11.080 -0.790 1.00 0.00 C ATOM 1407 C GLU A 91 27.473 12.427 -0.858 1.00 0.00 C ATOM 1408 O GLU A 91 28.108 13.481 -0.828 1.00 0.00 O ATOM 1409 CB GLU A 91 28.395 10.528 -2.202 1.00 0.00 C ATOM 1410 CG GLU A 91 29.294 9.304 -2.251 1.00 0.00 C ATOM 1411 CD GLU A 91 30.081 9.211 -3.543 1.00 0.00 C ATOM 1412 OE1 GLU A 91 31.142 9.863 -3.640 1.00 0.00 O ATOM 1413 OE2 GLU A 91 29.637 8.485 -4.458 1.00 0.00 O ATOM 0 H GLU A 91 26.704 9.626 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 91 29.159 11.227 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.425 10.273 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.825 11.309 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.986 9.332 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.687 8.407 -2.134 1.00 0.00 H new ATOM 1420 N VAL A 92 26.148 12.384 -0.951 1.00 0.00 N ATOM 1421 CA VAL A 92 25.346 13.600 -1.024 1.00 0.00 C ATOM 1422 C VAL A 92 24.883 14.036 0.362 1.00 0.00 C ATOM 1423 O VAL A 92 25.276 15.093 0.856 1.00 0.00 O ATOM 1424 CB VAL A 92 24.115 13.407 -1.928 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.407 14.734 -2.156 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.519 12.774 -3.251 1.00 0.00 C ATOM 0 H VAL A 92 25.607 11.520 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 92 25.983 14.375 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 92 23.420 12.733 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.539 14.578 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.082 15.142 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.091 15.434 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.636 12.645 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.234 13.420 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.977 11.802 -3.065 1.00 0.00 H new ATOM 1436 N HIS A 93 24.044 13.214 0.985 1.00 0.00 N ATOM 1437 CA HIS A 93 23.527 13.514 2.315 1.00 0.00 C ATOM 1438 C HIS A 93 24.572 13.213 3.385 1.00 0.00 C ATOM 1439 O HIS A 93 24.459 13.667 4.523 1.00 0.00 O ATOM 1440 CB HIS A 93 22.256 12.708 2.586 1.00 0.00 C ATOM 1441 CG HIS A 93 21.151 12.989 1.615 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.120 13.865 1.881 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.920 12.505 0.372 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.302 13.907 0.845 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.765 13.090 -0.084 1.00 0.00 N ATOM 0 H HIS A 93 23.708 12.336 0.590 1.00 0.00 H new ATOM 0 HA HIS A 93 23.289 14.577 2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.496 11.645 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 93 21.906 12.925 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.531 11.792 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.407 14.507 0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.334 12.921 -0.993 1.00 0.00 H new ATOM 1453 N ASN A 94 25.589 12.443 3.012 1.00 0.00 N ATOM 1454 CA ASN A 94 26.654 12.080 3.940 1.00 0.00 C ATOM 1455 C ASN A 94 26.077 11.575 5.259 1.00 0.00 C ATOM 1456 O ASN A 94 26.406 12.088 6.328 1.00 0.00 O ATOM 1457 CB ASN A 94 27.567 13.280 4.196 1.00 0.00 C ATOM 1458 CG ASN A 94 28.647 12.978 5.218 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.543 12.171 4.970 1.00 0.00 O ATOM 1460 ND2 ASN A 94 28.565 13.626 6.374 1.00 0.00 N ATOM 0 H ASN A 94 25.698 12.058 2.074 1.00 0.00 H new ATOM 0 HA ASN A 94 27.238 11.278 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.033 13.585 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 94 26.968 14.122 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 94 29.263 13.464 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 94 27.805 14.286 6.536 1.00 0.00 H new ATOM 1467 N GLN A 95 25.216 10.566 5.174 1.00 0.00 N ATOM 1468 CA GLN A 95 24.593 9.992 6.361 1.00 0.00 C ATOM 1469 C GLN A 95 24.908 8.504 6.476 1.00 0.00 C ATOM 1470 O GLN A 95 24.174 7.663 5.960 1.00 0.00 O ATOM 1471 CB GLN A 95 23.078 10.203 6.321 1.00 0.00 C ATOM 1472 CG GLN A 95 22.624 11.484 7.002 1.00 0.00 C ATOM 1473 CD GLN A 95 22.684 11.393 8.514 1.00 0.00 C ATOM 1474 OE1 GLN A 95 23.503 12.052 9.156 1.00 0.00 O ATOM 1475 NE2 GLN A 95 21.813 10.575 9.093 1.00 0.00 N ATOM 0 H GLN A 95 24.934 10.129 4.296 1.00 0.00 H new ATOM 0 HA GLN A 95 25.000 10.500 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.749 10.217 5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.589 9.354 6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.250 12.311 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 95 21.603 11.712 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.152 10.048 8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.805 10.474 10.108 1.00 0.00 H new ATOM 1484 N ASN A 96 26.006 8.188 7.154 1.00 0.00 N ATOM 1485 CA ASN A 96 26.419 6.801 7.336 1.00 0.00 C ATOM 1486 C ASN A 96 25.793 6.207 8.594 1.00 0.00 C ATOM 1487 O ASN A 96 26.410 6.190 9.658 1.00 0.00 O ATOM 1488 CB ASN A 96 27.944 6.708 7.419 1.00 0.00 C ATOM 1489 CG ASN A 96 28.418 5.324 7.818 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.055 5.149 8.857 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.109 4.331 6.992 1.00 0.00 N ATOM 0 H ASN A 96 26.626 8.873 7.586 1.00 0.00 H new ATOM 0 HA ASN A 96 26.073 6.229 6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.374 6.972 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.311 7.437 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 96 28.401 3.378 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 96 27.579 4.521 6.141 1.00 0.00 H new