USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 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 -130:sc= -1.28 USER MOD Set 1.2: A 75 CYS SG : rot 180:sc= -1.02! USER MOD Set 1.3: A 88 HIS : no HD1:sc= 0.703 K(o=-4.1,f=-9.6!) USER MOD Set 1.4: A 89 GLN : amide:sc= -0.627 K(o=-4.1,f=-3.3) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -1.83! K(o=-4.1!,f=-3) USER MOD Set 2.1: A 71 THR OG1 : rot 57:sc= 1.2 USER MOD Set 2.2: A 78 THR OG1 : rot -86:sc= 0.0938 USER MOD Set 3.1: A 45 CYS SG : rot -147:sc= -1.24 USER MOD Set 3.2: A 48 CYS SG : rot 40:sc= -4.69! USER MOD Set 3.3: A 61 HIS : no HE2:sc= -1.56 K(o=-8.8,f=-12!) USER MOD Set 3.4: A 65 CYS SG : rot 90:sc= -1.35! USER MOD Set 4.1: A 19 CYS SG : rot 19:sc= -1.63 USER MOD Set 4.2: A 22 CYS SG : rot -40:sc= 0.223 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -1.84 X(o=-3.3,f=-3.4!) USER MOD Set 4.4: A 39 CYS SG : rot -25:sc= -0.0234 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0492 USER MOD Single : A 3 SER OG : rot 180:sc= -0.115 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0542 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 K(o=0,f=-0.81) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -36:sc= 0.0802 USER MOD Single : A 28 SER OG : rot 3:sc= 1.15 USER MOD Single : A 32 GLN : amide:sc= 0.2 K(o=0.2,f=-1.6) USER MOD Single : A 34 SER OG : rot -75:sc= 0.637 USER MOD Single : A 41 ASN : amide:sc= -2.82! C(o=-2.8!,f=-4.6!) 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 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -4.74! (180deg=-5.25!) USER MOD Single : A 59 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.92) USER MOD Single : A 63 SER OG : rot 35:sc= 0.308 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+ -178:sc= 0.573 (180deg=0.57) USER MOD Single : A 76 MET CE :methyl 168:sc= -1.46 (180deg=-1.67!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0207 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= -0.396 K(o=-0.4,f=-1.7) USER MOD Single : A 95 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.75!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -25.366 -42.064 23.291 1.00 0.00 N ATOM 9 CA SER A 2 -24.735 -41.289 22.230 1.00 0.00 C ATOM 10 C SER A 2 -25.750 -40.911 21.155 1.00 0.00 C ATOM 11 O SER A 2 -26.873 -41.416 21.141 1.00 0.00 O ATOM 12 CB SER A 2 -23.585 -42.081 21.605 1.00 0.00 C ATOM 13 OG SER A 2 -22.793 -41.256 20.768 1.00 0.00 O ATOM 0 HA SER A 2 -24.339 -40.373 22.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.964 -42.509 22.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.985 -42.914 21.027 1.00 0.00 H new ATOM 0 HG SER A 2 -22.064 -41.785 20.382 1.00 0.00 H new ATOM 19 N SER A 3 -25.347 -40.019 20.257 1.00 0.00 N ATOM 20 CA SER A 3 -26.222 -39.569 19.180 1.00 0.00 C ATOM 21 C SER A 3 -25.407 -39.109 17.975 1.00 0.00 C ATOM 22 O SER A 3 -24.189 -38.961 18.055 1.00 0.00 O ATOM 23 CB SER A 3 -27.122 -38.432 19.666 1.00 0.00 C ATOM 24 OG SER A 3 -27.870 -38.824 20.804 1.00 0.00 O ATOM 0 H SER A 3 -24.420 -39.593 20.253 1.00 0.00 H new ATOM 0 HA SER A 3 -26.845 -40.410 18.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.513 -37.561 19.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.800 -38.134 18.866 1.00 0.00 H new ATOM 0 HG SER A 3 -28.436 -38.079 21.096 1.00 0.00 H new ATOM 30 N GLY A 4 -26.092 -38.883 16.857 1.00 0.00 N ATOM 31 CA GLY A 4 -25.417 -38.442 15.650 1.00 0.00 C ATOM 32 C GLY A 4 -26.377 -38.209 14.501 1.00 0.00 C ATOM 33 O GLY A 4 -26.837 -39.157 13.865 1.00 0.00 O ATOM 0 H GLY A 4 -27.101 -38.997 16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.873 -37.520 15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.679 -39.188 15.357 1.00 0.00 H new ATOM 37 N SER A 5 -26.683 -36.943 14.236 1.00 0.00 N ATOM 38 CA SER A 5 -27.600 -36.587 13.159 1.00 0.00 C ATOM 39 C SER A 5 -26.878 -35.806 12.066 1.00 0.00 C ATOM 40 O SER A 5 -25.714 -35.434 12.219 1.00 0.00 O ATOM 41 CB SER A 5 -28.767 -35.762 13.705 1.00 0.00 C ATOM 42 OG SER A 5 -28.301 -34.672 14.482 1.00 0.00 O ATOM 0 H SER A 5 -26.309 -36.147 14.752 1.00 0.00 H new ATOM 0 HA SER A 5 -27.988 -37.509 12.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.372 -35.391 12.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.412 -36.396 14.313 1.00 0.00 H new ATOM 0 HG SER A 5 -29.066 -34.159 14.818 1.00 0.00 H new ATOM 48 N SER A 6 -27.576 -35.561 10.962 1.00 0.00 N ATOM 49 CA SER A 6 -27.001 -34.827 9.841 1.00 0.00 C ATOM 50 C SER A 6 -28.056 -33.958 9.162 1.00 0.00 C ATOM 51 O SER A 6 -29.254 -34.124 9.391 1.00 0.00 O ATOM 52 CB SER A 6 -26.394 -35.798 8.826 1.00 0.00 C ATOM 53 OG SER A 6 -25.674 -35.103 7.823 1.00 0.00 O ATOM 0 H SER A 6 -28.541 -35.860 10.820 1.00 0.00 H new ATOM 0 HA SER A 6 -26.215 -34.178 10.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.730 -36.495 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.185 -36.390 8.366 1.00 0.00 H new ATOM 0 HG SER A 6 -25.295 -35.746 7.188 1.00 0.00 H new ATOM 59 N GLY A 7 -27.601 -33.031 8.325 1.00 0.00 N ATOM 60 CA GLY A 7 -28.517 -32.149 7.626 1.00 0.00 C ATOM 61 C GLY A 7 -27.820 -30.938 7.037 1.00 0.00 C ATOM 62 O GLY A 7 -27.389 -30.046 7.766 1.00 0.00 O ATOM 0 H GLY A 7 -26.614 -32.875 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.012 -32.703 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.294 -31.818 8.315 1.00 0.00 H new ATOM 66 N ALA A 8 -27.708 -30.908 5.713 1.00 0.00 N ATOM 67 CA ALA A 8 -27.059 -29.799 5.026 1.00 0.00 C ATOM 68 C ALA A 8 -27.902 -29.310 3.853 1.00 0.00 C ATOM 69 O ALA A 8 -28.890 -29.943 3.481 1.00 0.00 O ATOM 70 CB ALA A 8 -25.674 -30.211 4.548 1.00 0.00 C ATOM 0 H ALA A 8 -28.059 -31.640 5.095 1.00 0.00 H new ATOM 0 HA ALA A 8 -26.957 -28.976 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -25.201 -29.373 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -25.066 -30.504 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -25.762 -31.052 3.861 1.00 0.00 H new ATOM 76 N SER A 9 -27.505 -28.181 3.275 1.00 0.00 N ATOM 77 CA SER A 9 -28.227 -27.605 2.146 1.00 0.00 C ATOM 78 C SER A 9 -27.301 -27.414 0.949 1.00 0.00 C ATOM 79 O SER A 9 -26.091 -27.235 1.090 1.00 0.00 O ATOM 80 CB SER A 9 -28.851 -26.266 2.542 1.00 0.00 C ATOM 81 OG SER A 9 -27.851 -25.304 2.834 1.00 0.00 O ATOM 0 H SER A 9 -26.688 -27.647 3.570 1.00 0.00 H new ATOM 0 HA SER A 9 -29.020 -28.297 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.484 -25.903 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.493 -26.403 3.412 1.00 0.00 H new ATOM 0 HG SER A 9 -28.275 -24.456 3.083 1.00 0.00 H new ATOM 87 N PRO A 10 -27.882 -27.453 -0.259 1.00 0.00 N ATOM 88 CA PRO A 10 -27.129 -27.286 -1.506 1.00 0.00 C ATOM 89 C PRO A 10 -26.619 -25.861 -1.688 1.00 0.00 C ATOM 90 O PRO A 10 -26.805 -25.008 -0.820 1.00 0.00 O ATOM 91 CB PRO A 10 -28.154 -27.631 -2.589 1.00 0.00 C ATOM 92 CG PRO A 10 -29.476 -27.346 -1.964 1.00 0.00 C ATOM 93 CD PRO A 10 -29.319 -27.663 -0.502 1.00 0.00 C ATOM 0 HA PRO A 10 -26.237 -27.912 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -28.001 -27.029 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -28.075 -28.676 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -29.760 -26.304 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -30.260 -27.955 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.931 -27.009 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -29.619 -28.687 -0.279 1.00 0.00 H new ATOM 101 N VAL A 11 -25.976 -25.608 -2.824 1.00 0.00 N ATOM 102 CA VAL A 11 -25.441 -24.285 -3.121 1.00 0.00 C ATOM 103 C VAL A 11 -25.456 -24.010 -4.620 1.00 0.00 C ATOM 104 O VAL A 11 -25.174 -24.896 -5.426 1.00 0.00 O ATOM 105 CB VAL A 11 -24.001 -24.131 -2.597 1.00 0.00 C ATOM 106 CG1 VAL A 11 -23.071 -25.111 -3.295 1.00 0.00 C ATOM 107 CG2 VAL A 11 -23.517 -22.700 -2.782 1.00 0.00 C ATOM 0 H VAL A 11 -25.813 -26.302 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 11 -26.083 -23.564 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 11 -23.995 -24.358 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.058 -24.987 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -23.408 -26.130 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.079 -24.919 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.498 -22.609 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.538 -22.443 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.168 -22.021 -2.231 1.00 0.00 H new ATOM 117 N GLU A 12 -25.787 -22.775 -4.987 1.00 0.00 N ATOM 118 CA GLU A 12 -25.840 -22.384 -6.390 1.00 0.00 C ATOM 119 C GLU A 12 -24.854 -21.255 -6.678 1.00 0.00 C ATOM 120 O GLU A 12 -24.183 -20.758 -5.775 1.00 0.00 O ATOM 121 CB GLU A 12 -27.257 -21.948 -6.769 1.00 0.00 C ATOM 122 CG GLU A 12 -27.760 -20.756 -5.972 1.00 0.00 C ATOM 123 CD GLU A 12 -28.290 -21.149 -4.606 1.00 0.00 C ATOM 124 OE1 GLU A 12 -28.690 -22.321 -4.441 1.00 0.00 O ATOM 125 OE2 GLU A 12 -28.304 -20.287 -3.704 1.00 0.00 O ATOM 0 H GLU A 12 -26.022 -22.029 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 12 -25.561 -23.249 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -27.281 -21.701 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -27.938 -22.786 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -26.950 -20.037 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -28.549 -20.255 -6.533 1.00 0.00 H new ATOM 199 N TYR A 17 -20.425 -8.980 -10.114 1.00 0.00 N ATOM 200 CA TYR A 17 -19.317 -8.158 -10.588 1.00 0.00 C ATOM 201 C TYR A 17 -18.299 -7.924 -9.476 1.00 0.00 C ATOM 202 O TYR A 17 -18.535 -7.134 -8.561 1.00 0.00 O ATOM 203 CB TYR A 17 -19.835 -6.818 -11.111 1.00 0.00 C ATOM 204 CG TYR A 17 -20.925 -6.954 -12.150 1.00 0.00 C ATOM 205 CD1 TYR A 17 -20.965 -8.049 -13.004 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.916 -5.988 -12.277 1.00 0.00 C ATOM 207 CE1 TYR A 17 -21.959 -8.178 -13.955 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.914 -6.109 -13.225 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.931 -7.205 -14.061 1.00 0.00 C ATOM 210 OH TYR A 17 -23.923 -7.330 -15.007 1.00 0.00 O ATOM 0 HA TYR A 17 -18.824 -8.691 -11.401 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.214 -6.233 -10.273 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.003 -6.259 -11.540 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.206 -8.813 -12.923 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.906 -5.128 -11.624 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.975 -9.035 -14.611 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.677 -5.349 -13.311 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.528 -6.562 -14.950 1.00 0.00 H new ATOM 220 N GLN A 18 -17.167 -8.615 -9.563 1.00 0.00 N ATOM 221 CA GLN A 18 -16.113 -8.482 -8.564 1.00 0.00 C ATOM 222 C GLN A 18 -14.979 -7.604 -9.084 1.00 0.00 C ATOM 223 O GLN A 18 -14.721 -7.551 -10.287 1.00 0.00 O ATOM 224 CB GLN A 18 -15.571 -9.859 -8.178 1.00 0.00 C ATOM 225 CG GLN A 18 -16.259 -10.465 -6.965 1.00 0.00 C ATOM 226 CD GLN A 18 -16.305 -11.979 -7.017 1.00 0.00 C ATOM 227 OE1 GLN A 18 -17.366 -12.573 -7.214 1.00 0.00 O ATOM 228 NE2 GLN A 18 -15.152 -12.614 -6.838 1.00 0.00 N ATOM 0 H GLN A 18 -16.956 -9.272 -10.314 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.541 -8.007 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.684 -10.535 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.503 -9.777 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.736 -10.152 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.275 -10.076 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.296 -12.082 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.122 -13.633 -6.861 1.00 0.00 H new ATOM 237 N CYS A 19 -14.305 -6.915 -8.169 1.00 0.00 N ATOM 238 CA CYS A 19 -13.198 -6.038 -8.534 1.00 0.00 C ATOM 239 C CYS A 19 -11.950 -6.848 -8.870 1.00 0.00 C ATOM 240 O CYS A 19 -11.587 -7.777 -8.148 1.00 0.00 O ATOM 241 CB CYS A 19 -12.895 -5.064 -7.393 1.00 0.00 C ATOM 242 SG CYS A 19 -11.452 -3.993 -7.694 1.00 0.00 S ATOM 0 H CYS A 19 -14.506 -6.947 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.491 -5.472 -9.418 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.770 -4.437 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.727 -5.633 -6.479 1.00 0.00 H new ATOM 0 HG CYS A 19 -11.186 -3.971 -8.966 1.00 0.00 H new ATOM 247 N ARG A 20 -11.298 -6.490 -9.971 1.00 0.00 N ATOM 248 CA ARG A 20 -10.091 -7.184 -10.405 1.00 0.00 C ATOM 249 C ARG A 20 -8.868 -6.671 -9.648 1.00 0.00 C ATOM 250 O ARG A 20 -7.735 -6.815 -10.109 1.00 0.00 O ATOM 251 CB ARG A 20 -9.885 -7.003 -11.910 1.00 0.00 C ATOM 252 CG ARG A 20 -11.083 -7.428 -12.743 1.00 0.00 C ATOM 253 CD ARG A 20 -11.319 -8.928 -12.654 1.00 0.00 C ATOM 254 NE ARG A 20 -12.057 -9.296 -11.449 1.00 0.00 N ATOM 255 CZ ARG A 20 -12.399 -10.543 -11.149 1.00 0.00 C ATOM 256 NH1 ARG A 20 -12.070 -11.538 -11.961 1.00 0.00 N ATOM 257 NH2 ARG A 20 -13.071 -10.798 -10.034 1.00 0.00 N ATOM 0 H ARG A 20 -11.585 -5.723 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.214 -8.245 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.664 -5.955 -12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.014 -7.579 -12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.972 -6.898 -12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.923 -7.145 -13.783 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.871 -9.261 -13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.360 -9.447 -12.665 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.324 -8.554 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.553 -11.346 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.334 -12.495 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.325 -10.035 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.333 -11.757 -9.805 1.00 0.00 H new ATOM 271 N LEU A 21 -9.106 -6.073 -8.486 1.00 0.00 N ATOM 272 CA LEU A 21 -8.025 -5.539 -7.666 1.00 0.00 C ATOM 273 C LEU A 21 -8.045 -6.154 -6.270 1.00 0.00 C ATOM 274 O LEU A 21 -7.004 -6.530 -5.730 1.00 0.00 O ATOM 275 CB LEU A 21 -8.138 -4.017 -7.566 1.00 0.00 C ATOM 276 CG LEU A 21 -8.355 -3.272 -8.884 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.656 -1.804 -8.624 1.00 0.00 C ATOM 278 CD2 LEU A 21 -7.139 -3.418 -9.786 1.00 0.00 C ATOM 0 H LEU A 21 -10.038 -5.946 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.079 -5.797 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.964 -3.777 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.229 -3.635 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.213 -3.713 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.807 -1.290 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.558 -1.719 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.819 -1.349 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.312 -2.882 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.263 -3.004 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.969 -4.473 -10.000 1.00 0.00 H new ATOM 290 N CYS A 22 -9.237 -6.256 -5.691 1.00 0.00 N ATOM 291 CA CYS A 22 -9.395 -6.827 -4.359 1.00 0.00 C ATOM 292 C CYS A 22 -10.416 -7.961 -4.371 1.00 0.00 C ATOM 293 O CYS A 22 -10.597 -8.657 -3.373 1.00 0.00 O ATOM 294 CB CYS A 22 -9.827 -5.747 -3.366 1.00 0.00 C ATOM 295 SG CYS A 22 -11.321 -4.832 -3.866 1.00 0.00 S ATOM 0 H CYS A 22 -10.108 -5.950 -6.124 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.432 -7.232 -4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.006 -6.211 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.008 -5.040 -3.235 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.279 -4.597 -5.144 1.00 0.00 H new ATOM 300 N ASN A 23 -11.081 -8.139 -5.508 1.00 0.00 N ATOM 301 CA ASN A 23 -12.084 -9.188 -5.650 1.00 0.00 C ATOM 302 C ASN A 23 -13.273 -8.932 -4.728 1.00 0.00 C ATOM 303 O ASN A 23 -13.744 -9.838 -4.042 1.00 0.00 O ATOM 304 CB ASN A 23 -11.471 -10.555 -5.343 1.00 0.00 C ATOM 305 CG ASN A 23 -10.255 -10.849 -6.200 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.147 -10.403 -5.901 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.457 -11.604 -7.274 1.00 0.00 N ATOM 0 H ASN A 23 -10.943 -7.571 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.438 -9.180 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.189 -10.596 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.220 -11.330 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.677 -11.835 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.392 -11.952 -7.484 1.00 0.00 H new ATOM 314 N ALA A 24 -13.751 -7.692 -4.719 1.00 0.00 N ATOM 315 CA ALA A 24 -14.886 -7.318 -3.884 1.00 0.00 C ATOM 316 C ALA A 24 -16.174 -7.266 -4.698 1.00 0.00 C ATOM 317 O ALA A 24 -16.264 -6.545 -5.692 1.00 0.00 O ATOM 318 CB ALA A 24 -14.628 -5.976 -3.215 1.00 0.00 C ATOM 0 H ALA A 24 -13.370 -6.930 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.005 -8.080 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.483 -5.708 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.736 -6.045 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.480 -5.212 -3.978 1.00 0.00 H new ATOM 324 N LYS A 25 -17.169 -8.036 -4.272 1.00 0.00 N ATOM 325 CA LYS A 25 -18.454 -8.079 -4.961 1.00 0.00 C ATOM 326 C LYS A 25 -19.087 -6.692 -5.017 1.00 0.00 C ATOM 327 O LYS A 25 -19.227 -6.020 -3.994 1.00 0.00 O ATOM 328 CB LYS A 25 -19.400 -9.055 -4.260 1.00 0.00 C ATOM 329 CG LYS A 25 -19.023 -10.514 -4.454 1.00 0.00 C ATOM 330 CD LYS A 25 -19.844 -11.427 -3.560 1.00 0.00 C ATOM 331 CE LYS A 25 -21.305 -11.452 -3.981 1.00 0.00 C ATOM 332 NZ LYS A 25 -22.047 -12.575 -3.342 1.00 0.00 N ATOM 0 H LYS A 25 -17.111 -8.640 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.280 -8.422 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.414 -8.831 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.412 -8.897 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.173 -10.794 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.963 -10.649 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.436 -12.437 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.768 -11.090 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.776 -10.506 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.369 -11.545 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.039 -12.558 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.613 -13.479 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.008 -12.473 -2.308 1.00 0.00 H new ATOM 346 N LEU A 26 -19.470 -6.269 -6.217 1.00 0.00 N ATOM 347 CA LEU A 26 -20.090 -4.963 -6.406 1.00 0.00 C ATOM 348 C LEU A 26 -21.610 -5.084 -6.454 1.00 0.00 C ATOM 349 O LEU A 26 -22.156 -6.187 -6.428 1.00 0.00 O ATOM 350 CB LEU A 26 -19.578 -4.314 -7.692 1.00 0.00 C ATOM 351 CG LEU A 26 -18.263 -3.541 -7.577 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.333 -2.538 -6.436 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.097 -4.498 -7.378 1.00 0.00 C ATOM 0 H LEU A 26 -19.362 -6.812 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.820 -4.334 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.453 -5.093 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.345 -3.634 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.102 -2.994 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.389 -1.997 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.143 -1.833 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.517 -3.065 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.170 -3.930 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.250 -5.073 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.035 -5.177 -8.228 1.00 0.00 H new ATOM 365 N SER A 27 -22.288 -3.942 -6.526 1.00 0.00 N ATOM 366 CA SER A 27 -23.745 -3.920 -6.577 1.00 0.00 C ATOM 367 C SER A 27 -24.235 -3.690 -8.003 1.00 0.00 C ATOM 368 O SER A 27 -25.410 -3.896 -8.308 1.00 0.00 O ATOM 369 CB SER A 27 -24.292 -2.828 -5.655 1.00 0.00 C ATOM 370 OG SER A 27 -25.699 -2.929 -5.525 1.00 0.00 O ATOM 0 H SER A 27 -21.851 -3.021 -6.550 1.00 0.00 H new ATOM 0 HA SER A 27 -24.111 -4.889 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.826 -2.910 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.030 -1.847 -6.052 1.00 0.00 H new ATOM 0 HG SER A 27 -26.088 -3.206 -6.381 1.00 0.00 H new ATOM 376 N SER A 28 -23.326 -3.261 -8.873 1.00 0.00 N ATOM 377 CA SER A 28 -23.665 -2.999 -10.267 1.00 0.00 C ATOM 378 C SER A 28 -22.405 -2.853 -11.115 1.00 0.00 C ATOM 379 O SER A 28 -21.317 -2.607 -10.593 1.00 0.00 O ATOM 380 CB SER A 28 -24.517 -1.733 -10.377 1.00 0.00 C ATOM 381 OG SER A 28 -25.840 -1.967 -9.928 1.00 0.00 O ATOM 0 H SER A 28 -22.349 -3.087 -8.637 1.00 0.00 H new ATOM 0 HA SER A 28 -24.237 -3.848 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.066 -0.935 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.536 -1.393 -11.412 1.00 0.00 H new ATOM 0 HG SER A 28 -25.914 -2.885 -9.593 1.00 0.00 H new ATOM 387 N LEU A 29 -22.561 -3.007 -12.425 1.00 0.00 N ATOM 388 CA LEU A 29 -21.436 -2.893 -13.347 1.00 0.00 C ATOM 389 C LEU A 29 -20.718 -1.560 -13.168 1.00 0.00 C ATOM 390 O LEU A 29 -19.490 -1.489 -13.237 1.00 0.00 O ATOM 391 CB LEU A 29 -21.919 -3.035 -14.792 1.00 0.00 C ATOM 392 CG LEU A 29 -20.898 -3.580 -15.791 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.732 -5.082 -15.618 1.00 0.00 C ATOM 394 CD2 LEU A 29 -21.316 -3.248 -17.216 1.00 0.00 C ATOM 0 H LEU A 29 -23.455 -3.211 -12.873 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.733 -3.696 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.790 -3.690 -14.800 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -22.252 -2.057 -15.140 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.937 -3.104 -15.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -20.002 -5.453 -16.337 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -20.386 -5.296 -14.607 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -21.689 -5.576 -15.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.578 -3.644 -17.913 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -22.288 -3.696 -17.424 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.382 -2.166 -17.333 1.00 0.00 H new ATOM 406 N LEU A 30 -21.490 -0.504 -12.936 1.00 0.00 N ATOM 407 CA LEU A 30 -20.928 0.828 -12.744 1.00 0.00 C ATOM 408 C LEU A 30 -20.006 0.861 -11.530 1.00 0.00 C ATOM 409 O LEU A 30 -18.865 1.312 -11.617 1.00 0.00 O ATOM 410 CB LEU A 30 -22.048 1.857 -12.577 1.00 0.00 C ATOM 411 CG LEU A 30 -21.709 3.291 -12.984 1.00 0.00 C ATOM 412 CD1 LEU A 30 -21.736 3.437 -14.497 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.674 4.272 -12.334 1.00 0.00 C ATOM 0 H LEU A 30 -22.507 -0.545 -12.876 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.342 1.079 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.907 1.528 -13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.357 1.861 -11.532 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.701 3.519 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.492 4.464 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.005 2.761 -14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.730 3.190 -14.869 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.418 5.288 -12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.692 4.045 -12.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.605 4.186 -11.250 1.00 0.00 H new ATOM 425 N GLU A 31 -20.509 0.376 -10.398 1.00 0.00 N ATOM 426 CA GLU A 31 -19.730 0.349 -9.166 1.00 0.00 C ATOM 427 C GLU A 31 -18.385 -0.338 -9.389 1.00 0.00 C ATOM 428 O GLU A 31 -17.405 -0.040 -8.707 1.00 0.00 O ATOM 429 CB GLU A 31 -20.506 -0.370 -8.061 1.00 0.00 C ATOM 430 CG GLU A 31 -20.250 0.193 -6.673 1.00 0.00 C ATOM 431 CD GLU A 31 -21.206 -0.360 -5.634 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.432 -0.203 -5.814 1.00 0.00 O ATOM 433 OE2 GLU A 31 -20.729 -0.949 -4.641 1.00 0.00 O ATOM 0 H GLU A 31 -21.452 -0.003 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.547 1.379 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.572 -0.308 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.240 -1.427 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.226 -0.034 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.340 1.279 -6.703 1.00 0.00 H new ATOM 440 N GLN A 32 -18.350 -1.260 -10.346 1.00 0.00 N ATOM 441 CA GLN A 32 -17.127 -1.991 -10.657 1.00 0.00 C ATOM 442 C GLN A 32 -16.144 -1.107 -11.418 1.00 0.00 C ATOM 443 O GLN A 32 -15.006 -0.916 -10.990 1.00 0.00 O ATOM 444 CB GLN A 32 -17.449 -3.240 -11.478 1.00 0.00 C ATOM 445 CG GLN A 32 -16.299 -4.230 -11.556 1.00 0.00 C ATOM 446 CD GLN A 32 -16.518 -5.299 -12.609 1.00 0.00 C ATOM 447 OE1 GLN A 32 -17.466 -5.229 -13.392 1.00 0.00 O ATOM 448 NE2 GLN A 32 -15.641 -6.295 -12.633 1.00 0.00 N ATOM 0 H GLN A 32 -19.154 -1.518 -10.919 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.665 -2.292 -9.717 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.316 -3.737 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.727 -2.939 -12.488 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.377 -3.693 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.167 -4.705 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.871 -6.312 -11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.738 -7.043 -13.320 1.00 0.00 H new ATOM 457 N GLY A 33 -16.590 -0.571 -12.549 1.00 0.00 N ATOM 458 CA GLY A 33 -15.737 0.285 -13.352 1.00 0.00 C ATOM 459 C GLY A 33 -15.323 1.545 -12.617 1.00 0.00 C ATOM 460 O GLY A 33 -14.342 2.191 -12.984 1.00 0.00 O ATOM 0 H GLY A 33 -17.528 -0.714 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.846 -0.269 -13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.261 0.558 -14.268 1.00 0.00 H new ATOM 464 N SER A 34 -16.074 1.895 -11.578 1.00 0.00 N ATOM 465 CA SER A 34 -15.784 3.089 -10.793 1.00 0.00 C ATOM 466 C SER A 34 -14.926 2.746 -9.579 1.00 0.00 C ATOM 467 O SER A 34 -13.911 3.392 -9.318 1.00 0.00 O ATOM 468 CB SER A 34 -17.084 3.757 -10.341 1.00 0.00 C ATOM 469 OG SER A 34 -17.931 2.831 -9.683 1.00 0.00 O ATOM 0 H SER A 34 -16.888 1.369 -11.260 1.00 0.00 H new ATOM 0 HA SER A 34 -15.229 3.782 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.857 4.586 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.600 4.177 -11.204 1.00 0.00 H new ATOM 0 HG SER A 34 -18.349 2.242 -10.345 1.00 0.00 H new ATOM 475 N HIS A 35 -15.342 1.723 -8.839 1.00 0.00 N ATOM 476 CA HIS A 35 -14.613 1.291 -7.652 1.00 0.00 C ATOM 477 C HIS A 35 -13.147 1.024 -7.982 1.00 0.00 C ATOM 478 O HIS A 35 -12.274 1.161 -7.126 1.00 0.00 O ATOM 479 CB HIS A 35 -15.253 0.034 -7.063 1.00 0.00 C ATOM 480 CG HIS A 35 -14.383 -0.671 -6.068 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.547 -0.548 -4.705 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.337 -1.512 -6.245 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.639 -1.282 -4.086 1.00 0.00 C ATOM 484 NE2 HIS A 35 -12.892 -1.877 -4.999 1.00 0.00 N ATOM 0 H HIS A 35 -16.180 1.178 -9.041 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.661 2.092 -6.915 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.193 0.306 -6.583 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.496 -0.654 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.929 -1.836 -7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.527 -1.379 -3.016 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.111 -2.505 -4.809 1.00 0.00 H new ATOM 492 N GLU A 36 -12.887 0.641 -9.228 1.00 0.00 N ATOM 493 CA GLU A 36 -11.527 0.353 -9.669 1.00 0.00 C ATOM 494 C GLU A 36 -10.699 1.632 -9.749 1.00 0.00 C ATOM 495 O GLU A 36 -9.469 1.591 -9.697 1.00 0.00 O ATOM 496 CB GLU A 36 -11.546 -0.342 -11.033 1.00 0.00 C ATOM 497 CG GLU A 36 -11.778 -1.841 -10.949 1.00 0.00 C ATOM 498 CD GLU A 36 -11.109 -2.599 -12.079 1.00 0.00 C ATOM 499 OE1 GLU A 36 -11.071 -2.069 -13.209 1.00 0.00 O ATOM 500 OE2 GLU A 36 -10.623 -3.723 -11.833 1.00 0.00 O ATOM 0 H GLU A 36 -13.599 0.523 -9.949 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.068 -0.311 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.328 0.104 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.598 -0.157 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.401 -2.210 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.849 -2.041 -10.967 1.00 0.00 H new ATOM 507 N ARG A 37 -11.381 2.765 -9.877 1.00 0.00 N ATOM 508 CA ARG A 37 -10.709 4.055 -9.966 1.00 0.00 C ATOM 509 C ARG A 37 -10.239 4.520 -8.591 1.00 0.00 C ATOM 510 O ARG A 37 -9.135 5.047 -8.446 1.00 0.00 O ATOM 511 CB ARG A 37 -11.645 5.100 -10.577 1.00 0.00 C ATOM 512 CG ARG A 37 -11.760 5.005 -12.089 1.00 0.00 C ATOM 513 CD ARG A 37 -12.459 6.223 -12.673 1.00 0.00 C ATOM 514 NE ARG A 37 -11.565 7.374 -12.769 1.00 0.00 N ATOM 515 CZ ARG A 37 -11.778 8.404 -13.580 1.00 0.00 C ATOM 516 NH1 ARG A 37 -12.849 8.427 -14.361 1.00 0.00 N ATOM 517 NH2 ARG A 37 -10.919 9.414 -13.611 1.00 0.00 N ATOM 0 H ARG A 37 -12.399 2.816 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.836 3.938 -10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.636 4.988 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.289 6.095 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.766 4.911 -12.525 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.312 4.104 -12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.844 5.980 -13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.317 6.481 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.732 7.388 -12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.512 7.652 -14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.010 9.219 -14.983 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.094 9.400 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.084 10.205 -14.234 1.00 0.00 H new ATOM 531 N LEU A 38 -11.083 4.321 -7.585 1.00 0.00 N ATOM 532 CA LEU A 38 -10.755 4.720 -6.221 1.00 0.00 C ATOM 533 C LEU A 38 -10.009 3.606 -5.493 1.00 0.00 C ATOM 534 O LEU A 38 -9.260 3.860 -4.549 1.00 0.00 O ATOM 535 CB LEU A 38 -12.028 5.082 -5.454 1.00 0.00 C ATOM 536 CG LEU A 38 -13.300 4.350 -5.881 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.209 4.117 -4.684 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.029 5.134 -6.962 1.00 0.00 C ATOM 0 H LEU A 38 -12.000 3.886 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.107 5.595 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.858 4.886 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.198 6.154 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.018 3.380 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.110 3.595 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.686 3.514 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.484 5.076 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.932 4.598 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.299 6.118 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.379 5.249 -7.829 1.00 0.00 H new ATOM 550 N CYS A 39 -10.216 2.372 -5.939 1.00 0.00 N ATOM 551 CA CYS A 39 -9.563 1.219 -5.332 1.00 0.00 C ATOM 552 C CYS A 39 -8.083 1.175 -5.702 1.00 0.00 C ATOM 553 O CYS A 39 -7.324 0.363 -5.173 1.00 0.00 O ATOM 554 CB CYS A 39 -10.249 -0.075 -5.775 1.00 0.00 C ATOM 555 SG CYS A 39 -9.400 -1.591 -5.230 1.00 0.00 S ATOM 0 H CYS A 39 -10.832 2.145 -6.720 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.647 1.314 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.268 -0.084 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.320 -0.082 -6.863 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.141 -1.336 -5.032 1.00 0.00 H new ATOM 560 N ARG A 40 -7.681 2.054 -6.615 1.00 0.00 N ATOM 561 CA ARG A 40 -6.293 2.115 -7.057 1.00 0.00 C ATOM 562 C ARG A 40 -5.531 3.204 -6.307 1.00 0.00 C ATOM 563 O ARG A 40 -4.359 3.037 -5.972 1.00 0.00 O ATOM 564 CB ARG A 40 -6.226 2.376 -8.563 1.00 0.00 C ATOM 565 CG ARG A 40 -6.174 1.107 -9.398 1.00 0.00 C ATOM 566 CD ARG A 40 -5.586 1.371 -10.776 1.00 0.00 C ATOM 567 NE ARG A 40 -6.424 2.269 -11.566 1.00 0.00 N ATOM 568 CZ ARG A 40 -6.394 2.324 -12.893 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.572 1.537 -13.574 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.188 3.167 -13.541 1.00 0.00 N ATOM 0 H ARG A 40 -8.297 2.733 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.826 1.154 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.096 2.962 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.345 2.980 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.575 0.356 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.179 0.697 -9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.591 1.804 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.467 0.426 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.067 2.888 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.961 0.887 -13.079 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.551 1.581 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.822 3.773 -13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.164 3.209 -14.560 1.00 0.00 H new ATOM 584 N ASN A 41 -6.206 4.320 -6.048 1.00 0.00 N ATOM 585 CA ASN A 41 -5.592 5.437 -5.339 1.00 0.00 C ATOM 586 C ASN A 41 -5.787 5.298 -3.832 1.00 0.00 C ATOM 587 O ASN A 41 -4.949 5.735 -3.044 1.00 0.00 O ATOM 588 CB ASN A 41 -6.186 6.762 -5.821 1.00 0.00 C ATOM 589 CG ASN A 41 -7.396 7.182 -5.010 1.00 0.00 C ATOM 590 OD1 ASN A 41 -7.304 7.390 -3.800 1.00 0.00 O ATOM 591 ND2 ASN A 41 -8.539 7.309 -5.674 1.00 0.00 N ATOM 0 H ASN A 41 -7.177 4.474 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.523 5.427 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.425 7.540 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.469 6.670 -6.870 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.387 7.589 -5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.569 7.126 -6.677 1.00 0.00 H new ATOM 598 N ALA A 42 -6.899 4.685 -3.439 1.00 0.00 N ATOM 599 CA ALA A 42 -7.203 4.486 -2.027 1.00 0.00 C ATOM 600 C ALA A 42 -5.929 4.277 -1.215 1.00 0.00 C ATOM 601 O ALA A 42 -5.605 5.075 -0.336 1.00 0.00 O ATOM 602 CB ALA A 42 -8.142 3.301 -1.852 1.00 0.00 C ATOM 0 H ALA A 42 -7.604 4.318 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.696 5.385 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.361 3.163 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.070 3.489 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.669 2.401 -2.245 1.00 0.00 H new ATOM 608 N ALA A 43 -5.211 3.200 -1.516 1.00 0.00 N ATOM 609 CA ALA A 43 -3.972 2.888 -0.814 1.00 0.00 C ATOM 610 C ALA A 43 -2.828 2.660 -1.796 1.00 0.00 C ATOM 611 O ALA A 43 -2.696 1.580 -2.372 1.00 0.00 O ATOM 612 CB ALA A 43 -4.161 1.667 0.073 1.00 0.00 C ATOM 0 H ALA A 43 -5.466 2.529 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.713 3.741 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.228 1.446 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.944 1.867 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.447 0.813 -0.540 1.00 0.00 H new ATOM 618 N VAL A 44 -2.002 3.685 -1.984 1.00 0.00 N ATOM 619 CA VAL A 44 -0.868 3.595 -2.896 1.00 0.00 C ATOM 620 C VAL A 44 0.454 3.677 -2.140 1.00 0.00 C ATOM 621 O VAL A 44 0.813 4.728 -1.608 1.00 0.00 O ATOM 622 CB VAL A 44 -0.911 4.712 -3.956 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.313 4.641 -4.857 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.191 4.622 -4.773 1.00 0.00 C ATOM 0 H VAL A 44 -2.097 4.587 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.938 2.628 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.900 5.675 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.265 5.438 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.215 4.759 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.337 3.675 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.205 5.419 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.235 3.656 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.052 4.727 -4.113 1.00 0.00 H new ATOM 634 N CYS A 45 1.174 2.562 -2.097 1.00 0.00 N ATOM 635 CA CYS A 45 2.457 2.506 -1.407 1.00 0.00 C ATOM 636 C CYS A 45 3.451 3.485 -2.025 1.00 0.00 C ATOM 637 O CYS A 45 3.888 3.328 -3.165 1.00 0.00 O ATOM 638 CB CYS A 45 3.026 1.086 -1.457 1.00 0.00 C ATOM 639 SG CYS A 45 4.234 0.722 -0.144 1.00 0.00 S ATOM 0 H CYS A 45 0.891 1.684 -2.532 1.00 0.00 H new ATOM 0 HA CYS A 45 2.294 2.789 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.204 0.374 -1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.501 0.930 -2.426 1.00 0.00 H new ATOM 0 HG CYS A 45 5.125 -0.111 -0.593 1.00 0.00 H new ATOM 644 N PRO A 46 3.816 4.522 -1.255 1.00 0.00 N ATOM 645 CA PRO A 46 4.762 5.547 -1.705 1.00 0.00 C ATOM 646 C PRO A 46 6.184 5.010 -1.828 1.00 0.00 C ATOM 647 O PRO A 46 7.124 5.765 -2.076 1.00 0.00 O ATOM 648 CB PRO A 46 4.684 6.609 -0.606 1.00 0.00 C ATOM 649 CG PRO A 46 4.239 5.866 0.607 1.00 0.00 C ATOM 650 CD PRO A 46 3.334 4.772 0.113 1.00 0.00 C ATOM 0 HA PRO A 46 4.514 5.923 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.651 7.085 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.979 7.399 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.091 5.453 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.713 6.525 1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.407 3.879 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.289 5.081 0.121 1.00 0.00 H new ATOM 658 N TYR A 47 6.335 3.702 -1.652 1.00 0.00 N ATOM 659 CA TYR A 47 7.643 3.064 -1.741 1.00 0.00 C ATOM 660 C TYR A 47 7.799 2.324 -3.066 1.00 0.00 C ATOM 661 O TYR A 47 8.739 2.572 -3.822 1.00 0.00 O ATOM 662 CB TYR A 47 7.841 2.094 -0.575 1.00 0.00 C ATOM 663 CG TYR A 47 7.812 2.762 0.781 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.965 3.303 1.335 1.00 0.00 C ATOM 665 CD2 TYR A 47 6.631 2.851 1.508 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.944 3.914 2.574 1.00 0.00 C ATOM 667 CE2 TYR A 47 6.600 3.461 2.747 1.00 0.00 C ATOM 668 CZ TYR A 47 7.759 3.991 3.275 1.00 0.00 C ATOM 669 OH TYR A 47 7.732 4.599 4.510 1.00 0.00 O ATOM 0 H TYR A 47 5.567 3.063 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 47 8.404 3.843 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.063 1.332 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.795 1.582 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.894 3.245 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.722 2.436 1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.850 4.329 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.674 3.523 3.299 1.00 0.00 H new ATOM 0 HH TYR A 47 6.821 4.570 4.869 1.00 0.00 H new ATOM 679 N CYS A 48 6.871 1.414 -3.341 1.00 0.00 N ATOM 680 CA CYS A 48 6.903 0.637 -4.574 1.00 0.00 C ATOM 681 C CYS A 48 5.774 1.056 -5.511 1.00 0.00 C ATOM 682 O CYS A 48 5.714 0.620 -6.660 1.00 0.00 O ATOM 683 CB CYS A 48 6.794 -0.857 -4.262 1.00 0.00 C ATOM 684 SG CYS A 48 5.280 -1.320 -3.361 1.00 0.00 S ATOM 0 H CYS A 48 6.087 1.196 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 48 7.854 0.830 -5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.833 -1.416 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.661 -1.159 -3.674 1.00 0.00 H new ATOM 0 HG CYS A 48 4.272 -0.647 -3.832 1.00 0.00 H new ATOM 689 N SER A 49 4.882 1.905 -5.011 1.00 0.00 N ATOM 690 CA SER A 49 3.753 2.380 -5.801 1.00 0.00 C ATOM 691 C SER A 49 2.746 1.259 -6.040 1.00 0.00 C ATOM 692 O SER A 49 2.394 0.957 -7.181 1.00 0.00 O ATOM 693 CB SER A 49 4.239 2.938 -7.140 1.00 0.00 C ATOM 694 OG SER A 49 5.359 3.789 -6.962 1.00 0.00 O ATOM 0 H SER A 49 4.920 2.278 -4.062 1.00 0.00 H new ATOM 0 HA SER A 49 3.259 3.175 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.505 2.116 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.432 3.490 -7.622 1.00 0.00 H new ATOM 0 HG SER A 49 5.651 4.131 -7.833 1.00 0.00 H new ATOM 700 N LEU A 50 2.285 0.646 -4.955 1.00 0.00 N ATOM 701 CA LEU A 50 1.318 -0.442 -5.045 1.00 0.00 C ATOM 702 C LEU A 50 -0.109 0.096 -5.047 1.00 0.00 C ATOM 703 O LEU A 50 -0.326 1.308 -5.032 1.00 0.00 O ATOM 704 CB LEU A 50 1.507 -1.415 -3.879 1.00 0.00 C ATOM 705 CG LEU A 50 2.401 -2.625 -4.153 1.00 0.00 C ATOM 706 CD1 LEU A 50 2.863 -3.253 -2.847 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.669 -3.647 -5.010 1.00 0.00 C ATOM 0 H LEU A 50 2.565 0.884 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 50 1.488 -0.970 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.924 -0.864 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.526 -1.776 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 50 3.280 -2.286 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.498 -4.113 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.427 -2.520 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.995 -3.577 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.321 -4.501 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.771 -3.982 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.390 -3.192 -5.960 1.00 0.00 H new ATOM 719 N ARG A 51 -1.079 -0.812 -5.063 1.00 0.00 N ATOM 720 CA ARG A 51 -2.485 -0.429 -5.066 1.00 0.00 C ATOM 721 C ARG A 51 -3.337 -1.480 -4.359 1.00 0.00 C ATOM 722 O ARG A 51 -3.557 -2.571 -4.885 1.00 0.00 O ATOM 723 CB ARG A 51 -2.980 -0.236 -6.500 1.00 0.00 C ATOM 724 CG ARG A 51 -2.304 0.914 -7.228 1.00 0.00 C ATOM 725 CD ARG A 51 -2.465 0.791 -8.736 1.00 0.00 C ATOM 726 NE ARG A 51 -1.639 -0.280 -9.288 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.259 -0.333 -10.560 1.00 0.00 C ATOM 728 NH1 ARG A 51 -1.628 0.618 -11.406 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.508 -1.340 -10.987 1.00 0.00 N ATOM 0 H ARG A 51 -0.916 -1.819 -5.074 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.580 0.513 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.814 -1.157 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.056 -0.062 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.730 1.859 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.244 0.934 -6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.512 0.602 -8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.196 1.736 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.338 -1.028 -8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.205 1.394 -11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.335 0.574 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.222 -2.074 -10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.216 -1.380 -11.964 1.00 0.00 H new ATOM 743 N PHE A 52 -3.813 -1.143 -3.165 1.00 0.00 N ATOM 744 CA PHE A 52 -4.639 -2.057 -2.386 1.00 0.00 C ATOM 745 C PHE A 52 -6.084 -1.571 -2.329 1.00 0.00 C ATOM 746 O PHE A 52 -6.441 -0.575 -2.958 1.00 0.00 O ATOM 747 CB PHE A 52 -4.081 -2.201 -0.969 1.00 0.00 C ATOM 748 CG PHE A 52 -2.679 -2.739 -0.928 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.596 -1.904 -1.156 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.444 -4.078 -0.662 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.305 -2.397 -1.120 1.00 0.00 C ATOM 752 CE2 PHE A 52 -1.155 -4.576 -0.624 1.00 0.00 C ATOM 753 CZ PHE A 52 -0.084 -3.734 -0.852 1.00 0.00 C ATOM 0 H PHE A 52 -3.641 -0.243 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.621 -3.030 -2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.103 -1.228 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.732 -2.862 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.763 -0.857 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.278 -4.741 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.530 -1.737 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.986 -5.622 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.924 -4.120 -0.821 1.00 0.00 H new ATOM 763 N PHE A 53 -6.912 -2.281 -1.569 1.00 0.00 N ATOM 764 CA PHE A 53 -8.319 -1.923 -1.430 1.00 0.00 C ATOM 765 C PHE A 53 -8.487 -0.733 -0.490 1.00 0.00 C ATOM 766 O PHE A 53 -9.121 0.263 -0.839 1.00 0.00 O ATOM 767 CB PHE A 53 -9.121 -3.117 -0.909 1.00 0.00 C ATOM 768 CG PHE A 53 -10.392 -2.726 -0.210 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.148 -1.657 -0.665 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.831 -3.427 0.901 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.318 -1.295 -0.025 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.000 -3.070 1.546 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.744 -2.002 1.083 1.00 0.00 C ATOM 0 H PHE A 53 -6.633 -3.107 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.696 -1.642 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.362 -3.775 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.499 -3.690 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.819 -1.100 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.253 -4.262 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.899 -0.461 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.331 -3.625 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.657 -1.720 1.586 1.00 0.00 H new ATOM 783 N SER A 54 -7.915 -0.846 0.705 1.00 0.00 N ATOM 784 CA SER A 54 -8.005 0.218 1.698 1.00 0.00 C ATOM 785 C SER A 54 -6.617 0.726 2.078 1.00 0.00 C ATOM 786 O SER A 54 -5.606 0.049 1.886 1.00 0.00 O ATOM 787 CB SER A 54 -8.737 -0.280 2.946 1.00 0.00 C ATOM 788 OG SER A 54 -10.130 -0.042 2.849 1.00 0.00 O ATOM 0 H SER A 54 -7.385 -1.663 1.008 1.00 0.00 H new ATOM 0 HA SER A 54 -8.568 1.043 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.555 -1.347 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.340 0.221 3.829 1.00 0.00 H new ATOM 0 HG SER A 54 -10.575 -0.371 3.658 1.00 0.00 H new ATOM 794 N PRO A 55 -6.565 1.947 2.630 1.00 0.00 N ATOM 795 CA PRO A 55 -5.307 2.573 3.049 1.00 0.00 C ATOM 796 C PRO A 55 -4.697 1.889 4.267 1.00 0.00 C ATOM 797 O PRO A 55 -3.586 2.218 4.683 1.00 0.00 O ATOM 798 CB PRO A 55 -5.722 4.006 3.393 1.00 0.00 C ATOM 799 CG PRO A 55 -7.166 3.908 3.748 1.00 0.00 C ATOM 800 CD PRO A 55 -7.729 2.810 2.889 1.00 0.00 C ATOM 0 HA PRO A 55 -4.542 2.510 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.136 4.399 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.567 4.677 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.293 3.680 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.679 4.852 3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.525 2.268 3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.153 3.201 1.964 1.00 0.00 H new ATOM 808 N GLU A 56 -5.429 0.935 4.834 1.00 0.00 N ATOM 809 CA GLU A 56 -4.958 0.206 6.006 1.00 0.00 C ATOM 810 C GLU A 56 -4.194 -1.049 5.594 1.00 0.00 C ATOM 811 O GLU A 56 -3.267 -1.479 6.282 1.00 0.00 O ATOM 812 CB GLU A 56 -6.136 -0.174 6.905 1.00 0.00 C ATOM 813 CG GLU A 56 -6.510 0.905 7.907 1.00 0.00 C ATOM 814 CD GLU A 56 -7.961 0.825 8.337 1.00 0.00 C ATOM 815 OE1 GLU A 56 -8.252 0.109 9.318 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.808 1.480 7.693 1.00 0.00 O ATOM 0 H GLU A 56 -6.350 0.649 4.501 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.282 0.857 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.002 -0.394 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.890 -1.089 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.870 0.818 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.318 1.884 7.469 1.00 0.00 H new ATOM 823 N LEU A 57 -4.589 -1.632 4.467 1.00 0.00 N ATOM 824 CA LEU A 57 -3.942 -2.838 3.962 1.00 0.00 C ATOM 825 C LEU A 57 -2.478 -2.571 3.626 1.00 0.00 C ATOM 826 O LEU A 57 -1.597 -3.361 3.966 1.00 0.00 O ATOM 827 CB LEU A 57 -4.676 -3.354 2.723 1.00 0.00 C ATOM 828 CG LEU A 57 -5.776 -4.386 2.976 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.651 -4.546 1.742 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.170 -5.722 3.380 1.00 0.00 C ATOM 0 H LEU A 57 -5.354 -1.289 3.886 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.983 -3.597 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.117 -2.502 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.942 -3.793 2.047 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.401 -4.031 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.428 -5.284 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.113 -3.590 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.040 -4.879 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.967 -6.445 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.522 -6.084 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.586 -5.596 4.292 1.00 0.00 H new ATOM 842 N LYS A 58 -2.225 -1.451 2.957 1.00 0.00 N ATOM 843 CA LYS A 58 -0.868 -1.076 2.577 1.00 0.00 C ATOM 844 C LYS A 58 0.033 -0.980 3.804 1.00 0.00 C ATOM 845 O LYS A 58 1.140 -1.519 3.815 1.00 0.00 O ATOM 846 CB LYS A 58 -0.877 0.260 1.831 1.00 0.00 C ATOM 847 CG LYS A 58 -1.408 1.417 2.660 1.00 0.00 C ATOM 848 CD LYS A 58 -0.305 2.075 3.470 1.00 0.00 C ATOM 849 CE LYS A 58 0.273 3.283 2.747 1.00 0.00 C ATOM 850 NZ LYS A 58 1.081 2.885 1.562 1.00 0.00 N ATOM 0 H LYS A 58 -2.943 -0.787 2.667 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.474 -1.850 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.137 0.492 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.484 0.160 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.868 2.155 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.188 1.057 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.698 2.383 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.487 1.352 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.538 3.939 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.895 3.855 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.744 3.649 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.615 2.020 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.449 2.708 0.755 1.00 0.00 H new ATOM 864 N GLN A 59 -0.448 -0.292 4.834 1.00 0.00 N ATOM 865 CA GLN A 59 0.315 -0.126 6.065 1.00 0.00 C ATOM 866 C GLN A 59 1.059 -1.410 6.421 1.00 0.00 C ATOM 867 O GLN A 59 2.276 -1.403 6.600 1.00 0.00 O ATOM 868 CB GLN A 59 -0.611 0.276 7.214 1.00 0.00 C ATOM 869 CG GLN A 59 -1.393 1.551 6.947 1.00 0.00 C ATOM 870 CD GLN A 59 -2.134 2.049 8.172 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.652 1.921 9.298 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.313 2.622 7.960 1.00 0.00 N ATOM 0 H GLN A 59 -1.363 0.159 4.840 1.00 0.00 H new ATOM 0 HA GLN A 59 1.048 0.665 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.312 -0.537 7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.018 0.406 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.709 2.326 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.107 1.373 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.675 2.708 7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.857 2.977 8.747 1.00 0.00 H new ATOM 881 N GLU A 60 0.318 -2.509 6.521 1.00 0.00 N ATOM 882 CA GLU A 60 0.908 -3.799 6.857 1.00 0.00 C ATOM 883 C GLU A 60 2.052 -4.138 5.905 1.00 0.00 C ATOM 884 O GLU A 60 3.073 -4.690 6.316 1.00 0.00 O ATOM 885 CB GLU A 60 -0.154 -4.899 6.808 1.00 0.00 C ATOM 886 CG GLU A 60 -1.341 -4.641 7.721 1.00 0.00 C ATOM 887 CD GLU A 60 -1.022 -4.906 9.180 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.165 -4.815 9.555 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.962 -5.204 9.947 1.00 0.00 O ATOM 0 H GLU A 60 -0.691 -2.532 6.374 1.00 0.00 H new ATOM 0 HA GLU A 60 1.307 -3.735 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.511 -5.003 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.306 -5.848 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.665 -3.607 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.175 -5.273 7.414 1.00 0.00 H new ATOM 896 N HIS A 61 1.872 -3.805 4.631 1.00 0.00 N ATOM 897 CA HIS A 61 2.889 -4.074 3.620 1.00 0.00 C ATOM 898 C HIS A 61 4.084 -3.141 3.790 1.00 0.00 C ATOM 899 O HIS A 61 5.224 -3.593 3.901 1.00 0.00 O ATOM 900 CB HIS A 61 2.299 -3.914 2.219 1.00 0.00 C ATOM 901 CG HIS A 61 3.331 -3.704 1.154 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.046 -4.736 0.584 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.767 -2.571 0.555 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.878 -4.247 -0.318 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.728 -2.935 -0.355 1.00 0.00 N ATOM 0 H HIS A 61 1.032 -3.349 4.274 1.00 0.00 H new ATOM 0 HA HIS A 61 3.231 -5.101 3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.714 -4.801 1.977 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.611 -3.069 2.218 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.948 -5.723 0.822 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.423 -1.567 0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.564 -4.822 -0.922 1.00 0.00 H new ATOM 913 N GLU A 62 3.816 -1.840 3.810 1.00 0.00 N ATOM 914 CA GLU A 62 4.871 -0.845 3.965 1.00 0.00 C ATOM 915 C GLU A 62 5.907 -1.306 4.986 1.00 0.00 C ATOM 916 O GLU A 62 7.110 -1.273 4.724 1.00 0.00 O ATOM 917 CB GLU A 62 4.277 0.498 4.396 1.00 0.00 C ATOM 918 CG GLU A 62 3.970 1.428 3.235 1.00 0.00 C ATOM 919 CD GLU A 62 3.233 2.680 3.669 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.430 2.595 4.622 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.459 3.745 3.057 1.00 0.00 O ATOM 0 H GLU A 62 2.878 -1.450 3.721 1.00 0.00 H new ATOM 0 HA GLU A 62 5.365 -0.723 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.361 0.317 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.973 0.993 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.902 1.711 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.370 0.896 2.497 1.00 0.00 H new ATOM 928 N SER A 63 5.432 -1.735 6.151 1.00 0.00 N ATOM 929 CA SER A 63 6.317 -2.199 7.213 1.00 0.00 C ATOM 930 C SER A 63 7.245 -3.298 6.706 1.00 0.00 C ATOM 931 O SER A 63 8.406 -3.382 7.108 1.00 0.00 O ATOM 932 CB SER A 63 5.498 -2.714 8.399 1.00 0.00 C ATOM 933 OG SER A 63 4.337 -3.397 7.959 1.00 0.00 O ATOM 0 H SER A 63 4.439 -1.771 6.383 1.00 0.00 H new ATOM 0 HA SER A 63 6.926 -1.356 7.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.110 -3.383 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.212 -1.878 9.038 1.00 0.00 H new ATOM 0 HG SER A 63 4.535 -3.877 7.128 1.00 0.00 H new ATOM 939 N LYS A 64 6.726 -4.140 5.819 1.00 0.00 N ATOM 940 CA LYS A 64 7.506 -5.235 5.254 1.00 0.00 C ATOM 941 C LYS A 64 7.731 -5.027 3.760 1.00 0.00 C ATOM 942 O LYS A 64 7.995 -5.978 3.023 1.00 0.00 O ATOM 943 CB LYS A 64 6.798 -6.570 5.493 1.00 0.00 C ATOM 944 CG LYS A 64 5.360 -6.592 5.004 1.00 0.00 C ATOM 945 CD LYS A 64 4.497 -7.512 5.851 1.00 0.00 C ATOM 946 CE LYS A 64 4.598 -8.956 5.386 1.00 0.00 C ATOM 947 NZ LYS A 64 3.827 -9.878 6.266 1.00 0.00 N ATOM 0 H LYS A 64 5.767 -4.085 5.475 1.00 0.00 H new ATOM 0 HA LYS A 64 8.476 -5.252 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.355 -7.362 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.814 -6.794 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.951 -5.582 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.333 -6.921 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.805 -7.442 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.458 -7.185 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.227 -9.035 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.645 -9.260 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.921 -10.853 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.197 -9.822 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.824 -9.604 6.262 1.00 0.00 H new ATOM 961 N CYS A 65 7.628 -3.778 3.318 1.00 0.00 N ATOM 962 CA CYS A 65 7.821 -3.445 1.912 1.00 0.00 C ATOM 963 C CYS A 65 9.295 -3.538 1.529 1.00 0.00 C ATOM 964 O CYS A 65 10.120 -2.757 2.002 1.00 0.00 O ATOM 965 CB CYS A 65 7.295 -2.038 1.623 1.00 0.00 C ATOM 966 SG CYS A 65 7.589 -1.470 -0.083 1.00 0.00 S ATOM 0 H CYS A 65 7.412 -2.979 3.914 1.00 0.00 H new ATOM 0 HA CYS A 65 7.262 -4.164 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.224 -2.014 1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.764 -1.337 2.314 1.00 0.00 H new ATOM 0 HG CYS A 65 6.581 -1.806 -0.832 1.00 0.00 H new ATOM 971 N GLU A 66 9.618 -4.499 0.669 1.00 0.00 N ATOM 972 CA GLU A 66 10.992 -4.694 0.223 1.00 0.00 C ATOM 973 C GLU A 66 11.545 -3.420 -0.411 1.00 0.00 C ATOM 974 O GLU A 66 12.754 -3.186 -0.407 1.00 0.00 O ATOM 975 CB GLU A 66 11.068 -5.849 -0.778 1.00 0.00 C ATOM 976 CG GLU A 66 9.981 -5.807 -1.839 1.00 0.00 C ATOM 977 CD GLU A 66 8.721 -6.534 -1.411 1.00 0.00 C ATOM 978 OE1 GLU A 66 8.653 -7.766 -1.604 1.00 0.00 O ATOM 979 OE2 GLU A 66 7.803 -5.871 -0.885 1.00 0.00 O ATOM 0 H GLU A 66 8.947 -5.154 0.268 1.00 0.00 H new ATOM 0 HA GLU A 66 11.598 -4.938 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.042 -5.832 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.000 -6.793 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.738 -4.769 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.359 -6.253 -2.759 1.00 0.00 H new ATOM 986 N TYR A 67 10.651 -2.602 -0.955 1.00 0.00 N ATOM 987 CA TYR A 67 11.048 -1.353 -1.595 1.00 0.00 C ATOM 988 C TYR A 67 11.336 -0.275 -0.554 1.00 0.00 C ATOM 989 O TYR A 67 12.082 0.670 -0.812 1.00 0.00 O ATOM 990 CB TYR A 67 9.954 -0.875 -2.551 1.00 0.00 C ATOM 991 CG TYR A 67 10.145 -1.349 -3.974 1.00 0.00 C ATOM 992 CD1 TYR A 67 10.383 -2.689 -4.255 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.085 -0.457 -5.038 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.558 -3.125 -5.554 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.258 -0.885 -6.340 1.00 0.00 C ATOM 996 CZ TYR A 67 10.495 -2.220 -6.593 1.00 0.00 C ATOM 997 OH TYR A 67 10.668 -2.651 -7.888 1.00 0.00 O ATOM 0 H TYR A 67 9.647 -2.781 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 67 11.960 -1.539 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 67 8.987 -1.224 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 67 9.924 0.215 -2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.432 -3.401 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.900 0.589 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.743 -4.170 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.208 -0.178 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 67 10.593 -1.889 -8.499 1.00 0.00 H new ATOM 1007 N LYS A 68 10.739 -0.424 0.623 1.00 0.00 N ATOM 1008 CA LYS A 68 10.931 0.534 1.706 1.00 0.00 C ATOM 1009 C LYS A 68 12.415 0.748 1.986 1.00 0.00 C ATOM 1010 O LYS A 68 12.914 1.872 1.922 1.00 0.00 O ATOM 1011 CB LYS A 68 10.227 0.049 2.975 1.00 0.00 C ATOM 1012 CG LYS A 68 10.457 0.946 4.179 1.00 0.00 C ATOM 1013 CD LYS A 68 9.587 0.534 5.355 1.00 0.00 C ATOM 1014 CE LYS A 68 9.811 1.438 6.557 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.081 0.952 7.761 1.00 0.00 N ATOM 0 H LYS A 68 10.117 -1.200 0.852 1.00 0.00 H new ATOM 0 HA LYS A 68 10.496 1.485 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.156 -0.019 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.574 -0.957 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.507 0.905 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.241 1.980 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.538 0.569 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.807 -0.498 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.877 1.493 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.483 2.449 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.260 1.595 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.061 0.924 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.412 -0.003 8.006 1.00 0.00 H new ATOM 1029 N LYS A 69 13.117 -0.337 2.295 1.00 0.00 N ATOM 1030 CA LYS A 69 14.545 -0.268 2.582 1.00 0.00 C ATOM 1031 C LYS A 69 15.296 0.418 1.445 1.00 0.00 C ATOM 1032 O LYS A 69 16.308 1.084 1.669 1.00 0.00 O ATOM 1033 CB LYS A 69 15.109 -1.674 2.805 1.00 0.00 C ATOM 1034 CG LYS A 69 15.307 -2.460 1.521 1.00 0.00 C ATOM 1035 CD LYS A 69 15.791 -3.873 1.801 1.00 0.00 C ATOM 1036 CE LYS A 69 15.990 -4.660 0.515 1.00 0.00 C ATOM 1037 NZ LYS A 69 14.754 -5.387 0.113 1.00 0.00 N ATOM 0 H LYS A 69 12.720 -1.275 2.353 1.00 0.00 H new ATOM 0 HA LYS A 69 14.680 0.320 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.064 -1.595 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.435 -2.227 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.368 -2.499 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.029 -1.946 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.730 -3.834 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.069 -4.387 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.288 -3.981 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.804 -5.373 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.940 -5.938 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.464 -6.029 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.993 -4.702 -0.071 1.00 0.00 H new ATOM 1051 N LEU A 70 14.795 0.253 0.226 1.00 0.00 N ATOM 1052 CA LEU A 70 15.418 0.858 -0.946 1.00 0.00 C ATOM 1053 C LEU A 70 14.855 2.252 -1.203 1.00 0.00 C ATOM 1054 O LEU A 70 14.954 2.779 -2.312 1.00 0.00 O ATOM 1055 CB LEU A 70 15.204 -0.026 -2.175 1.00 0.00 C ATOM 1056 CG LEU A 70 15.792 -1.436 -2.099 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.280 -2.290 -3.248 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.313 -1.380 -2.109 1.00 0.00 C ATOM 0 H LEU A 70 13.959 -0.295 0.023 1.00 0.00 H new ATOM 0 HA LEU A 70 16.487 0.948 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.132 -0.110 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.634 0.479 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 70 15.471 -1.894 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.709 -3.290 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.193 -2.357 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.570 -1.837 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.715 -2.392 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.654 -0.904 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.662 -0.804 -1.251 1.00 0.00 H new ATOM 1070 N THR A 71 14.264 2.846 -0.171 1.00 0.00 N ATOM 1071 CA THR A 71 13.686 4.179 -0.284 1.00 0.00 C ATOM 1072 C THR A 71 14.404 5.169 0.626 1.00 0.00 C ATOM 1073 O THR A 71 14.408 5.014 1.847 1.00 0.00 O ATOM 1074 CB THR A 71 12.186 4.172 0.065 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.477 3.315 -0.837 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.608 5.578 -0.003 1.00 0.00 C ATOM 0 H THR A 71 14.173 2.424 0.753 1.00 0.00 H new ATOM 0 HA THR A 71 13.808 4.490 -1.322 1.00 0.00 H new ATOM 0 HB THR A 71 12.074 3.799 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.866 2.416 -0.808 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.548 5.548 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.130 6.221 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.732 5.974 -1.011 1.00 0.00 H new ATOM 1084 N CYS A 72 15.009 6.188 0.024 1.00 0.00 N ATOM 1085 CA CYS A 72 15.730 7.204 0.780 1.00 0.00 C ATOM 1086 C CYS A 72 14.760 8.165 1.462 1.00 0.00 C ATOM 1087 O CYS A 72 14.554 9.289 1.001 1.00 0.00 O ATOM 1088 CB CYS A 72 16.672 7.982 -0.140 1.00 0.00 C ATOM 1089 SG CYS A 72 17.874 9.031 0.740 1.00 0.00 S ATOM 0 H CYS A 72 15.014 6.331 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 72 16.317 6.701 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.214 7.275 -0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.078 8.609 -0.805 1.00 0.00 H new ATOM 0 HG CYS A 72 17.852 10.230 0.239 1.00 0.00 H new ATOM 1094 N LEU A 73 14.167 7.716 2.563 1.00 0.00 N ATOM 1095 CA LEU A 73 13.218 8.535 3.309 1.00 0.00 C ATOM 1096 C LEU A 73 13.688 9.985 3.379 1.00 0.00 C ATOM 1097 O LEU A 73 12.883 10.912 3.299 1.00 0.00 O ATOM 1098 CB LEU A 73 13.034 7.978 4.722 1.00 0.00 C ATOM 1099 CG LEU A 73 12.728 6.483 4.819 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.681 6.041 6.273 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.415 6.161 4.120 1.00 0.00 C ATOM 0 H LEU A 73 14.327 6.790 2.959 1.00 0.00 H new ATOM 0 HA LEU A 73 12.262 8.507 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.941 8.181 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.225 8.526 5.205 1.00 0.00 H new ATOM 0 HG LEU A 73 13.527 5.935 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.462 4.974 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.645 6.236 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.903 6.596 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.213 5.093 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.606 6.719 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.484 6.440 3.069 1.00 0.00 H new ATOM 1113 N GLU A 74 14.996 10.171 3.527 1.00 0.00 N ATOM 1114 CA GLU A 74 15.572 11.508 3.606 1.00 0.00 C ATOM 1115 C GLU A 74 14.945 12.433 2.566 1.00 0.00 C ATOM 1116 O GLU A 74 14.373 13.470 2.905 1.00 0.00 O ATOM 1117 CB GLU A 74 17.087 11.448 3.403 1.00 0.00 C ATOM 1118 CG GLU A 74 17.852 11.029 4.648 1.00 0.00 C ATOM 1119 CD GLU A 74 17.888 12.116 5.704 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.042 13.033 5.640 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.761 12.051 6.594 1.00 0.00 O ATOM 0 H GLU A 74 15.676 9.414 3.595 1.00 0.00 H new ATOM 0 HA GLU A 74 15.361 11.908 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.310 10.748 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.441 12.427 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.392 10.134 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.872 10.763 4.371 1.00 0.00 H new ATOM 1128 N CYS A 75 15.057 12.051 1.299 1.00 0.00 N ATOM 1129 CA CYS A 75 14.504 12.844 0.208 1.00 0.00 C ATOM 1130 C CYS A 75 13.562 12.005 -0.651 1.00 0.00 C ATOM 1131 O CYS A 75 13.429 12.238 -1.852 1.00 0.00 O ATOM 1132 CB CYS A 75 15.629 13.415 -0.657 1.00 0.00 C ATOM 1133 SG CYS A 75 16.659 12.150 -1.467 1.00 0.00 S ATOM 0 H CYS A 75 15.527 11.196 1.002 1.00 0.00 H new ATOM 0 HA CYS A 75 13.936 13.667 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.194 14.058 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.267 14.044 -0.036 1.00 0.00 H new ATOM 0 HG CYS A 75 17.581 12.730 -2.177 1.00 0.00 H new ATOM 1138 N MET A 76 12.911 11.030 -0.026 1.00 0.00 N ATOM 1139 CA MET A 76 11.981 10.157 -0.733 1.00 0.00 C ATOM 1140 C MET A 76 12.541 9.754 -2.094 1.00 0.00 C ATOM 1141 O MET A 76 11.896 9.952 -3.124 1.00 0.00 O ATOM 1142 CB MET A 76 10.630 10.853 -0.911 1.00 0.00 C ATOM 1143 CG MET A 76 9.792 10.884 0.357 1.00 0.00 C ATOM 1144 SD MET A 76 8.686 9.467 0.493 1.00 0.00 S ATOM 1145 CE MET A 76 9.744 8.292 1.335 1.00 0.00 C ATOM 0 H MET A 76 13.010 10.824 0.968 1.00 0.00 H new ATOM 0 HA MET A 76 11.842 9.256 -0.135 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.799 11.875 -1.251 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.069 10.345 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.452 10.909 1.224 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.204 11.802 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.147 7.448 1.681 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.512 7.936 0.648 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.218 8.776 2.189 1.00 0.00 H new ATOM 1155 N ARG A 77 13.743 9.189 -2.090 1.00 0.00 N ATOM 1156 CA ARG A 77 14.390 8.759 -3.324 1.00 0.00 C ATOM 1157 C ARG A 77 14.544 7.242 -3.358 1.00 0.00 C ATOM 1158 O ARG A 77 15.448 6.684 -2.735 1.00 0.00 O ATOM 1159 CB ARG A 77 15.760 9.425 -3.466 1.00 0.00 C ATOM 1160 CG ARG A 77 16.287 9.438 -4.891 1.00 0.00 C ATOM 1161 CD ARG A 77 16.146 10.813 -5.525 1.00 0.00 C ATOM 1162 NE ARG A 77 14.863 10.974 -6.204 1.00 0.00 N ATOM 1163 CZ ARG A 77 14.630 11.903 -7.124 1.00 0.00 C ATOM 1164 NH1 ARG A 77 15.589 12.749 -7.475 1.00 0.00 N ATOM 1165 NH2 ARG A 77 13.436 11.987 -7.696 1.00 0.00 N ATOM 0 H ARG A 77 14.289 9.018 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 77 13.758 9.061 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.695 10.451 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.475 8.905 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.336 9.140 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.745 8.704 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.248 11.579 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.956 10.968 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 77 14.104 10.338 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.509 12.687 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.407 13.461 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.696 11.338 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.258 12.701 -8.402 1.00 0.00 H new ATOM 1179 N THR A 78 13.655 6.578 -4.090 1.00 0.00 N ATOM 1180 CA THR A 78 13.691 5.125 -4.204 1.00 0.00 C ATOM 1181 C THR A 78 14.616 4.685 -5.333 1.00 0.00 C ATOM 1182 O THR A 78 14.643 5.297 -6.401 1.00 0.00 O ATOM 1183 CB THR A 78 12.285 4.546 -4.452 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.356 5.095 -3.511 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.296 3.029 -4.337 1.00 0.00 C ATOM 0 H THR A 78 12.901 7.023 -4.613 1.00 0.00 H new ATOM 0 HA THR A 78 14.071 4.743 -3.257 1.00 0.00 H new ATOM 0 HB THR A 78 11.979 4.815 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.375 4.566 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.292 2.643 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.982 2.613 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.622 2.742 -3.337 1.00 0.00 H new ATOM 1193 N PHE A 79 15.372 3.620 -5.090 1.00 0.00 N ATOM 1194 CA PHE A 79 16.300 3.097 -6.087 1.00 0.00 C ATOM 1195 C PHE A 79 15.974 1.645 -6.424 1.00 0.00 C ATOM 1196 O PHE A 79 14.978 1.094 -5.955 1.00 0.00 O ATOM 1197 CB PHE A 79 17.739 3.205 -5.581 1.00 0.00 C ATOM 1198 CG PHE A 79 18.221 4.621 -5.439 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.610 5.488 -4.548 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.284 5.084 -6.197 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.050 6.791 -4.416 1.00 0.00 C ATOM 1202 CE2 PHE A 79 19.729 6.387 -6.069 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.112 7.241 -5.177 1.00 0.00 C ATOM 0 H PHE A 79 15.361 3.102 -4.212 1.00 0.00 H new ATOM 0 HA PHE A 79 16.196 3.694 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.814 2.706 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.398 2.673 -6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.780 5.141 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 79 19.771 4.420 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.564 7.457 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.558 6.736 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.459 8.259 -5.074 1.00 0.00 H new ATOM 1213 N LYS A 80 16.822 1.030 -7.242 1.00 0.00 N ATOM 1214 CA LYS A 80 16.627 -0.359 -7.643 1.00 0.00 C ATOM 1215 C LYS A 80 17.382 -1.304 -6.714 1.00 0.00 C ATOM 1216 O LYS A 80 16.870 -2.358 -6.336 1.00 0.00 O ATOM 1217 CB LYS A 80 17.094 -0.564 -9.086 1.00 0.00 C ATOM 1218 CG LYS A 80 17.034 -2.011 -9.544 1.00 0.00 C ATOM 1219 CD LYS A 80 15.603 -2.515 -9.616 1.00 0.00 C ATOM 1220 CE LYS A 80 14.970 -2.204 -10.964 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.636 -2.849 -11.112 1.00 0.00 N ATOM 0 H LYS A 80 17.651 1.471 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 80 15.563 -0.585 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.478 0.044 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.118 -0.203 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.503 -2.103 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.606 -2.635 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.586 -3.591 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.014 -2.056 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.866 -1.125 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.629 -2.545 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.238 -2.613 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.738 -3.881 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.999 -2.504 -10.366 1.00 0.00 H new ATOM 1235 N SER A 81 18.600 -0.920 -6.348 1.00 0.00 N ATOM 1236 CA SER A 81 19.426 -1.735 -5.464 1.00 0.00 C ATOM 1237 C SER A 81 19.837 -0.946 -4.225 1.00 0.00 C ATOM 1238 O SER A 81 19.747 0.281 -4.198 1.00 0.00 O ATOM 1239 CB SER A 81 20.670 -2.228 -6.205 1.00 0.00 C ATOM 1240 OG SER A 81 21.393 -3.161 -5.422 1.00 0.00 O ATOM 0 H SER A 81 19.037 -0.049 -6.650 1.00 0.00 H new ATOM 0 HA SER A 81 18.837 -2.595 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.377 -2.690 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.310 -1.381 -6.451 1.00 0.00 H new ATOM 0 HG SER A 81 22.182 -3.462 -5.918 1.00 0.00 H new ATOM 1246 N SER A 82 20.290 -1.661 -3.199 1.00 0.00 N ATOM 1247 CA SER A 82 20.712 -1.030 -1.955 1.00 0.00 C ATOM 1248 C SER A 82 22.076 -0.365 -2.118 1.00 0.00 C ATOM 1249 O SER A 82 22.300 0.745 -1.636 1.00 0.00 O ATOM 1250 CB SER A 82 20.767 -2.062 -0.827 1.00 0.00 C ATOM 1251 OG SER A 82 20.560 -1.452 0.434 1.00 0.00 O ATOM 0 H SER A 82 20.374 -2.678 -3.206 1.00 0.00 H new ATOM 0 HA SER A 82 19.981 -0.263 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.009 -2.827 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.734 -2.564 -0.837 1.00 0.00 H new ATOM 0 HG SER A 82 20.598 -2.133 1.137 1.00 0.00 H new ATOM 1257 N PHE A 83 22.984 -1.054 -2.801 1.00 0.00 N ATOM 1258 CA PHE A 83 24.327 -0.532 -3.028 1.00 0.00 C ATOM 1259 C PHE A 83 24.276 0.789 -3.789 1.00 0.00 C ATOM 1260 O PHE A 83 25.025 1.719 -3.490 1.00 0.00 O ATOM 1261 CB PHE A 83 25.167 -1.549 -3.804 1.00 0.00 C ATOM 1262 CG PHE A 83 26.563 -1.076 -4.094 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.551 -1.155 -3.125 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.888 -0.553 -5.335 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.836 -0.720 -3.389 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.171 -0.116 -5.605 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.147 -0.201 -4.631 1.00 0.00 C ATOM 0 H PHE A 83 22.815 -1.974 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 83 24.790 -0.353 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.217 -2.477 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.667 -1.779 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.314 -1.561 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.129 -0.486 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.596 -0.786 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.410 0.291 -6.576 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.151 0.138 -4.840 1.00 0.00 H new ATOM 1277 N SER A 84 23.387 0.864 -4.774 1.00 0.00 N ATOM 1278 CA SER A 84 23.241 2.069 -5.582 1.00 0.00 C ATOM 1279 C SER A 84 22.855 3.262 -4.712 1.00 0.00 C ATOM 1280 O SER A 84 23.572 4.262 -4.659 1.00 0.00 O ATOM 1281 CB SER A 84 22.186 1.855 -6.669 1.00 0.00 C ATOM 1282 OG SER A 84 22.588 0.843 -7.577 1.00 0.00 O ATOM 0 H SER A 84 22.757 0.104 -5.032 1.00 0.00 H new ATOM 0 HA SER A 84 24.201 2.279 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.237 1.580 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.021 2.788 -7.209 1.00 0.00 H new ATOM 0 HG SER A 84 21.896 0.724 -8.261 1.00 0.00 H new ATOM 1288 N ILE A 85 21.719 3.148 -4.033 1.00 0.00 N ATOM 1289 CA ILE A 85 21.239 4.216 -3.165 1.00 0.00 C ATOM 1290 C ILE A 85 22.288 4.593 -2.125 1.00 0.00 C ATOM 1291 O ILE A 85 22.405 5.757 -1.739 1.00 0.00 O ATOM 1292 CB ILE A 85 19.939 3.813 -2.444 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.493 4.925 -1.491 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.135 2.508 -1.688 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.087 4.742 -0.965 1.00 0.00 C ATOM 0 H ILE A 85 21.114 2.327 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 85 21.039 5.076 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 85 19.158 3.664 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.184 4.970 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.557 5.883 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.207 2.237 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.411 1.720 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.927 2.631 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.838 5.566 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.386 4.727 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.022 3.800 -0.420 1.00 0.00 H new ATOM 1307 N TRP A 86 23.050 3.603 -1.676 1.00 0.00 N ATOM 1308 CA TRP A 86 24.092 3.831 -0.681 1.00 0.00 C ATOM 1309 C TRP A 86 24.975 5.009 -1.077 1.00 0.00 C ATOM 1310 O TRP A 86 25.304 5.857 -0.247 1.00 0.00 O ATOM 1311 CB TRP A 86 24.946 2.573 -0.509 1.00 0.00 C ATOM 1312 CG TRP A 86 25.943 2.680 0.605 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.684 2.985 1.911 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.358 2.484 0.510 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.852 2.990 2.633 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.894 2.686 1.797 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.225 2.157 -0.536 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.256 2.571 2.063 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.576 2.043 -0.271 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.081 2.249 1.020 1.00 0.00 C ATOM 0 H TRP A 86 22.966 2.634 -1.985 1.00 0.00 H new ATOM 0 HA TRP A 86 23.609 4.066 0.267 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.292 1.721 -0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.474 2.370 -1.441 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.704 3.192 2.316 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.931 3.188 3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.845 1.996 -1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.647 2.730 3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.255 1.791 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.142 2.152 1.195 1.00 0.00 H new ATOM 1331 N ARG A 87 25.355 5.057 -2.350 1.00 0.00 N ATOM 1332 CA ARG A 87 26.200 6.131 -2.856 1.00 0.00 C ATOM 1333 C ARG A 87 25.471 7.471 -2.796 1.00 0.00 C ATOM 1334 O ARG A 87 26.082 8.511 -2.551 1.00 0.00 O ATOM 1335 CB ARG A 87 26.631 5.837 -4.294 1.00 0.00 C ATOM 1336 CG ARG A 87 27.565 4.644 -4.418 1.00 0.00 C ATOM 1337 CD ARG A 87 28.987 5.008 -4.021 1.00 0.00 C ATOM 1338 NE ARG A 87 29.662 5.786 -5.056 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.228 5.247 -6.130 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.199 3.934 -6.310 1.00 0.00 N ATOM 1341 NH2 ARG A 87 30.823 6.022 -7.028 1.00 0.00 N ATOM 0 H ARG A 87 25.090 4.364 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 87 27.086 6.190 -2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 87 25.744 5.658 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.125 6.718 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.206 3.832 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.555 4.277 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.969 5.578 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.553 4.097 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 87 29.701 6.800 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 87 29.741 3.335 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 87 30.634 3.523 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 87 30.846 7.033 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.257 5.607 -7.852 1.00 0.00 H new ATOM 1355 N HIS A 88 24.162 7.436 -3.021 1.00 0.00 N ATOM 1356 CA HIS A 88 23.349 8.647 -2.993 1.00 0.00 C ATOM 1357 C HIS A 88 23.248 9.201 -1.575 1.00 0.00 C ATOM 1358 O HIS A 88 23.032 10.396 -1.380 1.00 0.00 O ATOM 1359 CB HIS A 88 21.951 8.362 -3.543 1.00 0.00 C ATOM 1360 CG HIS A 88 20.925 9.369 -3.122 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.750 10.577 -3.762 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.016 9.340 -2.120 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.778 11.249 -3.171 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.316 10.521 -2.172 1.00 0.00 N ATOM 0 H HIS A 88 23.641 6.583 -3.225 1.00 0.00 H new ATOM 0 HA HIS A 88 23.833 9.394 -3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.996 8.335 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.634 7.373 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.868 8.538 -1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.422 12.228 -3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.562 10.791 -1.541 1.00 0.00 H new ATOM 1372 N GLN A 89 23.404 8.322 -0.590 1.00 0.00 N ATOM 1373 CA GLN A 89 23.328 8.723 0.810 1.00 0.00 C ATOM 1374 C GLN A 89 24.720 8.968 1.382 1.00 0.00 C ATOM 1375 O GLN A 89 24.875 9.646 2.398 1.00 0.00 O ATOM 1376 CB GLN A 89 22.607 7.653 1.631 1.00 0.00 C ATOM 1377 CG GLN A 89 21.183 7.388 1.168 1.00 0.00 C ATOM 1378 CD GLN A 89 20.458 6.391 2.051 1.00 0.00 C ATOM 1379 OE1 GLN A 89 21.033 5.847 2.994 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.188 6.147 1.750 1.00 0.00 N ATOM 0 H GLN A 89 23.584 7.329 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 89 22.764 9.654 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.175 6.724 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.589 7.960 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.629 8.326 1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.201 7.015 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.751 6.621 0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.649 5.486 2.310 1.00 0.00 H new ATOM 1389 N VAL A 90 25.732 8.409 0.725 1.00 0.00 N ATOM 1390 CA VAL A 90 27.112 8.567 1.167 1.00 0.00 C ATOM 1391 C VAL A 90 27.801 9.706 0.424 1.00 0.00 C ATOM 1392 O VAL A 90 28.759 10.295 0.923 1.00 0.00 O ATOM 1393 CB VAL A 90 27.919 7.272 0.961 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.399 7.518 1.213 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.393 6.167 1.864 1.00 0.00 C ATOM 0 H VAL A 90 25.621 7.842 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 90 27.078 8.800 2.231 1.00 0.00 H new ATOM 0 HB VAL A 90 27.800 6.952 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.953 6.591 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.765 8.276 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.541 7.863 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.975 5.259 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.480 6.476 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.346 5.973 1.629 1.00 0.00 H new ATOM 1405 N GLU A 91 27.305 10.011 -0.771 1.00 0.00 N ATOM 1406 CA GLU A 91 27.874 11.080 -1.583 1.00 0.00 C ATOM 1407 C GLU A 91 27.140 12.396 -1.342 1.00 0.00 C ATOM 1408 O GLU A 91 27.760 13.454 -1.232 1.00 0.00 O ATOM 1409 CB GLU A 91 27.810 10.713 -3.067 1.00 0.00 C ATOM 1410 CG GLU A 91 28.697 9.537 -3.442 1.00 0.00 C ATOM 1411 CD GLU A 91 29.225 9.633 -4.860 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.301 10.237 -5.052 1.00 0.00 O ATOM 1413 OE2 GLU A 91 28.562 9.106 -5.778 1.00 0.00 O ATOM 0 H GLU A 91 26.511 9.533 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 91 28.917 11.206 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.779 10.478 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.101 11.580 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.536 9.484 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.133 8.611 -3.330 1.00 0.00 H new ATOM 1420 N VAL A 92 25.815 12.322 -1.261 1.00 0.00 N ATOM 1421 CA VAL A 92 24.996 13.506 -1.032 1.00 0.00 C ATOM 1422 C VAL A 92 24.834 13.782 0.458 1.00 0.00 C ATOM 1423 O VAL A 92 25.313 14.795 0.969 1.00 0.00 O ATOM 1424 CB VAL A 92 23.602 13.355 -1.670 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.817 14.653 -1.550 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.725 12.930 -3.125 1.00 0.00 C ATOM 0 H VAL A 92 25.286 11.454 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 92 25.513 14.344 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 92 23.058 12.578 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.835 14.528 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.698 14.910 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.355 15.452 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.731 12.828 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.287 13.683 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.245 11.974 -3.182 1.00 0.00 H new ATOM 1436 N HIS A 93 24.155 12.874 1.153 1.00 0.00 N ATOM 1437 CA HIS A 93 23.930 13.019 2.587 1.00 0.00 C ATOM 1438 C HIS A 93 25.200 12.700 3.371 1.00 0.00 C ATOM 1439 O HIS A 93 25.423 13.240 4.453 1.00 0.00 O ATOM 1440 CB HIS A 93 22.793 12.104 3.041 1.00 0.00 C ATOM 1441 CG HIS A 93 21.487 12.391 2.366 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.522 13.211 2.911 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.990 11.962 1.182 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.487 13.274 2.092 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.746 12.525 1.035 1.00 0.00 N ATOM 0 H HIS A 93 23.751 12.030 0.746 1.00 0.00 H new ATOM 0 HA HIS A 93 23.653 14.055 2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.072 11.068 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.665 12.204 4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.480 11.300 0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.583 13.841 2.258 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.123 12.387 0.239 1.00 0.00 H new ATOM 1453 N ASN A 94 26.026 11.820 2.816 1.00 0.00 N ATOM 1454 CA ASN A 94 27.273 11.428 3.464 1.00 0.00 C ATOM 1455 C ASN A 94 27.002 10.789 4.823 1.00 0.00 C ATOM 1456 O ASN A 94 27.594 11.175 5.830 1.00 0.00 O ATOM 1457 CB ASN A 94 28.187 12.643 3.634 1.00 0.00 C ATOM 1458 CG ASN A 94 28.072 13.619 2.479 1.00 0.00 C ATOM 1459 OD1 ASN A 94 27.374 14.629 2.573 1.00 0.00 O ATOM 1460 ND2 ASN A 94 28.757 13.322 1.381 1.00 0.00 N ATOM 0 H ASN A 94 25.855 11.365 1.919 1.00 0.00 H new ATOM 0 HA ASN A 94 27.769 10.694 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.938 13.154 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 94 29.220 12.308 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 94 28.717 13.942 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.323 12.474 1.347 1.00 0.00 H new ATOM 1467 N GLN A 95 26.104 9.809 4.840 1.00 0.00 N ATOM 1468 CA GLN A 95 25.755 9.116 6.075 1.00 0.00 C ATOM 1469 C GLN A 95 26.407 7.738 6.129 1.00 0.00 C ATOM 1470 O GLN A 95 25.785 6.732 5.791 1.00 0.00 O ATOM 1471 CB GLN A 95 24.236 8.979 6.196 1.00 0.00 C ATOM 1472 CG GLN A 95 23.582 10.118 6.961 1.00 0.00 C ATOM 1473 CD GLN A 95 22.081 9.946 7.092 1.00 0.00 C ATOM 1474 OE1 GLN A 95 21.606 9.055 7.795 1.00 0.00 O ATOM 1475 NE2 GLN A 95 21.326 10.802 6.413 1.00 0.00 N ATOM 0 H GLN A 95 25.606 9.477 4.014 1.00 0.00 H new ATOM 0 HA GLN A 95 26.128 9.707 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.803 8.928 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.003 8.037 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.025 10.185 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.793 11.060 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.763 11.526 5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.309 10.736 6.462 1.00 0.00 H new ATOM 1484 N ASN A 96 27.665 7.701 6.556 1.00 0.00 N ATOM 1485 CA ASN A 96 28.403 6.447 6.654 1.00 0.00 C ATOM 1486 C ASN A 96 28.328 5.880 8.069 1.00 0.00 C ATOM 1487 O ASN A 96 29.315 5.370 8.597 1.00 0.00 O ATOM 1488 CB ASN A 96 29.865 6.658 6.254 1.00 0.00 C ATOM 1489 CG ASN A 96 30.618 7.519 7.249 1.00 0.00 C ATOM 1490 OD1 ASN A 96 31.182 7.016 8.221 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.630 8.826 7.010 1.00 0.00 N ATOM 0 H ASN A 96 28.195 8.525 6.840 1.00 0.00 H new ATOM 0 HA ASN A 96 27.946 5.732 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 96 30.359 5.690 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.906 7.125 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 96 31.120 9.456 7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 96 30.149 9.199 6.192 1.00 0.00 H new