USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 832 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 104 SER OG : rot 151:sc= -2.31! USER MOD Set 1.2: A 108 THR OG1 : rot -94:sc= -0.772! USER MOD Set 2.1: A 80 SER OG : rot -69:sc= -0.444! USER MOD Set 2.2: A 82 ASN : amide:sc= -1.49 K(o=-1.9,f=-10!) USER MOD Set 3.1: A 55 THR OG1 : rot -90:sc= -6.14! USER MOD Set 3.2: A 57 GLN : amide:sc= -1.43 K(o=-7.6,f=-8.7!) USER MOD Set 4.1: A 5 SER OG : rot -19:sc= 0.281! USER MOD Set 4.2: A 14 HIS : no HD1:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 1 VAL N :NH3+ -144:sc= -0.0873 (180deg=-0.739) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.962 K(o=-0.96,f=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0.157 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.39) USER MOD Single : A 15 ASN : amide:sc= -0.6 K(o=-0.6,f=-0.099) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 173:sc= 0.852 USER MOD Single : A 22 THR OG1 : rot 33:sc= -1.68! USER MOD Single : A 25 SER OG : rot 129:sc= 0.211 USER MOD Single : A 28 THR OG1 : rot 86:sc= 0.16 USER MOD Single : A 29 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -80:sc= -2.97 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00438 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 30:sc= 0.0337 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-2.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.61) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -49:sc= -2.95! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= 1.16 (180deg=0.812) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -60:sc= 0.459! USER MOD Single : A 98 SER OG : rot -80:sc= -2.98! USER MOD Single : A 99 SER OG : rot 180:sc= 0.395 USER MOD Single : A 100 SER OG : rot 26:sc= 0.646! USER MOD Single : A 101 SER OG : rot 134:sc= 0.727 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 107 ASN : amide:sc= -4.8! C(o=-4.8!,f=-6.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -0.121 (180deg=-0.569) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -41.390 19.704 -12.714 1.00 0.00 N ATOM 2 CA VAL A 1 -40.125 19.059 -12.252 1.00 0.00 C ATOM 3 C VAL A 1 -39.002 19.308 -13.262 1.00 0.00 C ATOM 4 O VAL A 1 -39.067 18.874 -14.395 1.00 0.00 O ATOM 5 CB VAL A 1 -40.447 17.567 -12.171 1.00 0.00 C ATOM 6 CG1 VAL A 1 -39.160 16.780 -11.917 1.00 0.00 C ATOM 7 CG2 VAL A 1 -41.431 17.321 -11.024 1.00 0.00 C ATOM 0 H1 VAL A 1 -41.912 20.073 -11.893 1.00 0.00 H new ATOM 0 H2 VAL A 1 -41.165 20.487 -13.361 1.00 0.00 H new ATOM 0 H3 VAL A 1 -41.976 19.003 -13.210 1.00 0.00 H new ATOM 0 HA VAL A 1 -39.787 19.457 -11.295 1.00 0.00 H new ATOM 0 HB VAL A 1 -40.893 17.239 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -39.390 15.716 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -38.459 16.956 -12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -38.713 17.106 -10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -41.662 16.257 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -40.985 17.648 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -42.348 17.882 -11.205 1.00 0.00 H new ATOM 19 N LYS A 2 -37.970 19.999 -12.861 1.00 0.00 N ATOM 20 CA LYS A 2 -36.843 20.268 -13.801 1.00 0.00 C ATOM 21 C LYS A 2 -35.506 19.917 -13.141 1.00 0.00 C ATOM 22 O LYS A 2 -35.351 20.008 -11.940 1.00 0.00 O ATOM 23 CB LYS A 2 -36.920 21.766 -14.096 1.00 0.00 C ATOM 24 CG LYS A 2 -37.000 22.543 -12.781 1.00 0.00 C ATOM 25 CD LYS A 2 -38.398 23.148 -12.628 1.00 0.00 C ATOM 26 CE LYS A 2 -38.506 24.413 -13.483 1.00 0.00 C ATOM 27 NZ LYS A 2 -39.940 24.489 -13.880 1.00 0.00 N ATOM 0 H LYS A 2 -37.858 20.389 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 2 -36.913 19.671 -14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -36.044 22.081 -14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -37.793 21.982 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -36.785 21.881 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -36.248 23.331 -12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -39.154 22.425 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -38.590 23.386 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -38.205 25.297 -12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -37.857 24.355 -14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -40.093 25.332 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -40.196 23.638 -14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -40.533 24.550 -13.028 1.00 0.00 H new ATOM 41 N CYS A 3 -34.543 19.514 -13.922 1.00 0.00 N ATOM 42 CA CYS A 3 -33.214 19.152 -13.354 1.00 0.00 C ATOM 43 C CYS A 3 -32.381 20.406 -13.093 1.00 0.00 C ATOM 44 O CYS A 3 -32.350 21.323 -13.890 1.00 0.00 O ATOM 45 CB CYS A 3 -32.553 18.292 -14.429 1.00 0.00 C ATOM 46 SG CYS A 3 -32.937 16.552 -14.123 1.00 0.00 S ATOM 0 H CYS A 3 -34.620 19.419 -14.935 1.00 0.00 H new ATOM 0 HA CYS A 3 -33.304 18.630 -12.401 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -32.909 18.587 -15.416 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -31.474 18.445 -14.421 1.00 0.00 H new ATOM 51 N GLN A 4 -31.695 20.444 -11.987 1.00 0.00 N ATOM 52 CA GLN A 4 -30.847 21.625 -11.672 1.00 0.00 C ATOM 53 C GLN A 4 -29.392 21.180 -11.538 1.00 0.00 C ATOM 54 O GLN A 4 -29.092 20.004 -11.583 1.00 0.00 O ATOM 55 CB GLN A 4 -31.375 22.152 -10.337 1.00 0.00 C ATOM 56 CG GLN A 4 -32.902 22.236 -10.389 1.00 0.00 C ATOM 57 CD GLN A 4 -33.390 23.281 -9.385 1.00 0.00 C ATOM 58 OE1 GLN A 4 -33.058 24.445 -9.493 1.00 0.00 O ATOM 59 NE2 GLN A 4 -34.170 22.914 -8.405 1.00 0.00 N ATOM 0 H GLN A 4 -31.685 19.705 -11.284 1.00 0.00 H new ATOM 0 HA GLN A 4 -30.886 22.391 -12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -31.064 21.494 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -30.953 23.135 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -33.228 22.502 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -33.338 21.264 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -34.449 21.937 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -34.501 23.604 -7.730 1.00 0.00 H new ATOM 68 N SER A 5 -28.488 22.104 -11.375 1.00 0.00 N ATOM 69 CA SER A 5 -27.054 21.718 -11.238 1.00 0.00 C ATOM 70 C SER A 5 -26.931 20.498 -10.319 1.00 0.00 C ATOM 71 O SER A 5 -27.548 20.442 -9.274 1.00 0.00 O ATOM 72 CB SER A 5 -26.371 22.939 -10.622 1.00 0.00 C ATOM 73 OG SER A 5 -26.258 22.757 -9.217 1.00 0.00 O ATOM 0 H SER A 5 -28.677 23.105 -11.331 1.00 0.00 H new ATOM 0 HA SER A 5 -26.600 21.445 -12.190 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.384 23.078 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.946 23.839 -10.838 1.00 0.00 H new ATOM 0 HG SER A 5 -26.890 22.068 -8.925 1.00 0.00 H new ATOM 79 N PRO A 6 -26.150 19.548 -10.756 1.00 0.00 N ATOM 80 CA PRO A 6 -25.956 18.296 -9.979 1.00 0.00 C ATOM 81 C PRO A 6 -25.145 18.550 -8.706 1.00 0.00 C ATOM 82 O PRO A 6 -24.382 19.487 -8.631 1.00 0.00 O ATOM 83 CB PRO A 6 -25.175 17.406 -10.939 1.00 0.00 C ATOM 84 CG PRO A 6 -24.470 18.352 -11.850 1.00 0.00 C ATOM 85 CD PRO A 6 -25.378 19.545 -12.004 1.00 0.00 C ATOM 0 HA PRO A 6 -26.897 17.858 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.468 16.772 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.840 16.744 -11.494 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.507 18.647 -11.434 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.271 17.887 -12.816 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -24.811 20.468 -12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.024 19.448 -12.876 1.00 0.00 H new ATOM 93 N PRO A 7 -25.335 17.685 -7.749 1.00 0.00 N ATOM 94 CA PRO A 7 -24.605 17.799 -6.464 1.00 0.00 C ATOM 95 C PRO A 7 -23.163 17.314 -6.635 1.00 0.00 C ATOM 96 O PRO A 7 -22.806 16.747 -7.649 1.00 0.00 O ATOM 97 CB PRO A 7 -25.375 16.868 -5.533 1.00 0.00 C ATOM 98 CG PRO A 7 -26.035 15.870 -6.434 1.00 0.00 C ATOM 99 CD PRO A 7 -26.242 16.534 -7.773 1.00 0.00 C ATOM 0 HA PRO A 7 -24.549 18.821 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -24.707 16.378 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -26.112 17.418 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -25.415 14.980 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -26.988 15.547 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -26.005 15.857 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -27.278 16.846 -7.907 1.00 0.00 H new ATOM 107 N SER A 8 -22.334 17.521 -5.650 1.00 0.00 N ATOM 108 CA SER A 8 -20.920 17.058 -5.760 1.00 0.00 C ATOM 109 C SER A 8 -20.872 15.531 -5.702 1.00 0.00 C ATOM 110 O SER A 8 -21.879 14.878 -5.513 1.00 0.00 O ATOM 111 CB SER A 8 -20.203 17.665 -4.556 1.00 0.00 C ATOM 112 OG SER A 8 -21.118 17.786 -3.475 1.00 0.00 O ATOM 0 H SER A 8 -22.572 17.989 -4.776 1.00 0.00 H new ATOM 0 HA SER A 8 -20.454 17.361 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.361 17.037 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.797 18.643 -4.815 1.00 0.00 H new ATOM 0 HG SER A 8 -20.660 18.174 -2.700 1.00 0.00 H new ATOM 118 N ILE A 9 -19.713 14.954 -5.861 1.00 0.00 N ATOM 119 CA ILE A 9 -19.622 13.465 -5.807 1.00 0.00 C ATOM 120 C ILE A 9 -18.352 13.003 -5.121 1.00 0.00 C ATOM 121 O ILE A 9 -17.628 13.769 -4.515 1.00 0.00 O ATOM 122 CB ILE A 9 -19.636 12.955 -7.249 1.00 0.00 C ATOM 123 CG1 ILE A 9 -18.979 13.956 -8.209 1.00 0.00 C ATOM 124 CG2 ILE A 9 -21.073 12.707 -7.660 1.00 0.00 C ATOM 125 CD1 ILE A 9 -17.857 13.246 -8.972 1.00 0.00 C ATOM 0 H ILE A 9 -18.832 15.442 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 9 -20.461 13.073 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.061 12.030 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.718 14.351 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.579 14.805 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -21.100 12.343 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.517 11.963 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -21.637 13.637 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.383 13.948 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.116 12.872 -8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.273 12.412 -9.537 1.00 0.00 H new ATOM 137 N SER A 10 -18.104 11.733 -5.207 1.00 0.00 N ATOM 138 CA SER A 10 -16.906 11.147 -4.562 1.00 0.00 C ATOM 139 C SER A 10 -15.702 12.090 -4.668 1.00 0.00 C ATOM 140 O SER A 10 -14.980 12.082 -5.643 1.00 0.00 O ATOM 141 CB SER A 10 -16.640 9.851 -5.324 1.00 0.00 C ATOM 142 OG SER A 10 -15.346 9.367 -4.989 1.00 0.00 O ATOM 0 H SER A 10 -18.691 11.064 -5.706 1.00 0.00 H new ATOM 0 HA SER A 10 -17.066 10.975 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.396 9.106 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.709 10.026 -6.398 1.00 0.00 H new ATOM 0 HG SER A 10 -15.172 8.534 -5.475 1.00 0.00 H new ATOM 148 N ASN A 11 -15.474 12.895 -3.669 1.00 0.00 N ATOM 149 CA ASN A 11 -14.311 13.827 -3.716 1.00 0.00 C ATOM 150 C ASN A 11 -14.192 14.473 -5.100 1.00 0.00 C ATOM 151 O ASN A 11 -13.125 14.886 -5.510 1.00 0.00 O ATOM 152 CB ASN A 11 -13.093 12.948 -3.432 1.00 0.00 C ATOM 153 CG ASN A 11 -12.769 12.994 -1.938 1.00 0.00 C ATOM 154 OD1 ASN A 11 -12.699 14.056 -1.353 1.00 0.00 O ATOM 155 ND2 ASN A 11 -12.566 11.879 -1.292 1.00 0.00 N ATOM 0 H ASN A 11 -16.041 12.949 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.410 14.641 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.292 11.922 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.238 13.295 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.349 11.899 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.625 10.987 -1.783 1.00 0.00 H new ATOM 162 N GLY A 12 -15.275 14.571 -5.820 1.00 0.00 N ATOM 163 CA GLY A 12 -15.215 15.199 -7.171 1.00 0.00 C ATOM 164 C GLY A 12 -16.159 16.400 -7.208 1.00 0.00 C ATOM 165 O GLY A 12 -16.628 16.863 -6.187 1.00 0.00 O ATOM 0 H GLY A 12 -16.198 14.244 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.196 15.515 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.498 14.475 -7.935 1.00 0.00 H new ATOM 169 N ARG A 13 -16.443 16.910 -8.373 1.00 0.00 N ATOM 170 CA ARG A 13 -17.361 18.085 -8.465 1.00 0.00 C ATOM 171 C ARG A 13 -18.089 18.080 -9.808 1.00 0.00 C ATOM 172 O ARG A 13 -17.891 17.210 -10.631 1.00 0.00 O ATOM 173 CB ARG A 13 -16.468 19.327 -8.328 1.00 0.00 C ATOM 174 CG ARG A 13 -15.095 19.071 -8.960 1.00 0.00 C ATOM 175 CD ARG A 13 -14.446 20.406 -9.334 1.00 0.00 C ATOM 176 NE ARG A 13 -13.673 20.809 -8.126 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.369 20.796 -8.151 1.00 0.00 C ATOM 178 NH1 ARG A 13 -11.726 19.665 -8.053 1.00 0.00 N ATOM 179 NH2 ARG A 13 -11.706 21.913 -8.274 1.00 0.00 N ATOM 0 H ARG A 13 -16.082 16.568 -9.264 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.127 18.065 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.944 20.180 -8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.349 19.583 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.458 18.528 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.202 18.446 -9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.795 20.299 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.198 21.153 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.164 21.095 -7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.243 18.791 -7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.706 19.655 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.207 22.798 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.686 21.901 -8.293 1.00 0.00 H new ATOM 193 N HIS A 14 -18.945 19.035 -10.024 1.00 0.00 N ATOM 194 CA HIS A 14 -19.706 19.084 -11.306 1.00 0.00 C ATOM 195 C HIS A 14 -19.729 20.512 -11.861 1.00 0.00 C ATOM 196 O HIS A 14 -19.852 21.472 -11.126 1.00 0.00 O ATOM 197 CB HIS A 14 -21.111 18.625 -10.931 1.00 0.00 C ATOM 198 CG HIS A 14 -21.833 19.730 -10.216 1.00 0.00 C ATOM 199 ND1 HIS A 14 -22.777 20.513 -10.852 1.00 0.00 N ATOM 200 CD2 HIS A 14 -21.790 20.171 -8.918 1.00 0.00 C ATOM 201 CE1 HIS A 14 -23.275 21.366 -9.948 1.00 0.00 C ATOM 202 NE2 HIS A 14 -22.704 21.208 -8.749 1.00 0.00 N ATOM 0 H HIS A 14 -19.153 19.788 -9.368 1.00 0.00 H new ATOM 0 HA HIS A 14 -19.261 18.460 -12.081 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -21.661 18.339 -11.827 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -21.057 17.742 -10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -21.147 19.775 -8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -24.044 22.093 -10.161 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -22.896 21.733 -7.896 1.00 0.00 H new ATOM 210 N ASN A 15 -19.616 20.658 -13.152 1.00 0.00 N ATOM 211 CA ASN A 15 -19.636 22.022 -13.752 1.00 0.00 C ATOM 212 C ASN A 15 -19.708 21.929 -15.277 1.00 0.00 C ATOM 213 O ASN A 15 -18.794 22.315 -15.977 1.00 0.00 O ATOM 214 CB ASN A 15 -18.319 22.666 -13.317 1.00 0.00 C ATOM 215 CG ASN A 15 -18.612 23.958 -12.553 1.00 0.00 C ATOM 216 OD1 ASN A 15 -17.953 24.264 -11.579 1.00 0.00 O ATOM 217 ND2 ASN A 15 -19.581 24.733 -12.955 1.00 0.00 N ATOM 0 H ASN A 15 -19.511 19.892 -13.818 1.00 0.00 H new ATOM 0 HA ASN A 15 -20.500 22.602 -13.428 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.756 21.978 -12.687 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.700 22.879 -14.189 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -19.786 25.596 -12.452 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -20.134 24.476 -13.773 1.00 0.00 H new ATOM 224 N GLY A 16 -20.791 21.420 -15.798 1.00 0.00 N ATOM 225 CA GLY A 16 -20.920 21.305 -17.277 1.00 0.00 C ATOM 226 C GLY A 16 -20.829 22.697 -17.903 1.00 0.00 C ATOM 227 O GLY A 16 -19.790 23.109 -18.378 1.00 0.00 O ATOM 0 H GLY A 16 -21.590 21.080 -15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.133 20.664 -17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.871 20.839 -17.535 1.00 0.00 H new ATOM 231 N TYR A 17 -21.910 23.427 -17.905 1.00 0.00 N ATOM 232 CA TYR A 17 -21.883 24.795 -18.499 1.00 0.00 C ATOM 233 C TYR A 17 -23.243 25.476 -18.326 1.00 0.00 C ATOM 234 O TYR A 17 -23.639 26.302 -19.125 1.00 0.00 O ATOM 235 CB TYR A 17 -21.572 24.578 -19.980 1.00 0.00 C ATOM 236 CG TYR A 17 -20.233 25.197 -20.306 1.00 0.00 C ATOM 237 CD1 TYR A 17 -20.055 26.581 -20.194 1.00 0.00 C ATOM 238 CD2 TYR A 17 -19.169 24.385 -20.718 1.00 0.00 C ATOM 239 CE1 TYR A 17 -18.813 27.154 -20.493 1.00 0.00 C ATOM 240 CE2 TYR A 17 -17.927 24.959 -21.019 1.00 0.00 C ATOM 241 CZ TYR A 17 -17.749 26.342 -20.906 1.00 0.00 C ATOM 242 OH TYR A 17 -16.525 26.908 -21.200 1.00 0.00 O ATOM 0 H TYR A 17 -22.810 23.137 -17.522 1.00 0.00 H new ATOM 0 HA TYR A 17 -21.146 25.439 -18.019 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.558 23.512 -20.208 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -22.352 25.025 -20.596 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.876 27.207 -19.877 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.306 23.317 -20.804 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -18.675 28.222 -20.405 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -17.107 24.334 -21.338 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.896 26.206 -21.470 1.00 0.00 H new ATOM 252 N GLU A 18 -23.959 25.142 -17.287 1.00 0.00 N ATOM 253 CA GLU A 18 -25.291 25.775 -17.063 1.00 0.00 C ATOM 254 C GLU A 18 -25.771 25.506 -15.634 1.00 0.00 C ATOM 255 O GLU A 18 -25.014 25.085 -14.782 1.00 0.00 O ATOM 256 CB GLU A 18 -26.226 25.112 -18.076 1.00 0.00 C ATOM 257 CG GLU A 18 -26.098 23.591 -17.974 1.00 0.00 C ATOM 258 CD GLU A 18 -25.972 22.991 -19.375 1.00 0.00 C ATOM 259 OE1 GLU A 18 -24.920 23.145 -19.972 1.00 0.00 O ATOM 260 OE2 GLU A 18 -26.931 22.386 -19.828 1.00 0.00 O ATOM 0 H GLU A 18 -23.680 24.458 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.258 26.857 -17.190 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -27.256 25.414 -17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.978 25.441 -19.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -25.226 23.329 -17.375 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -26.969 23.176 -17.467 1.00 0.00 H new ATOM 267 N ASP A 19 -27.025 25.745 -15.367 1.00 0.00 N ATOM 268 CA ASP A 19 -27.556 25.502 -13.996 1.00 0.00 C ATOM 269 C ASP A 19 -28.736 24.531 -14.058 1.00 0.00 C ATOM 270 O ASP A 19 -28.868 23.642 -13.240 1.00 0.00 O ATOM 271 CB ASP A 19 -28.022 26.871 -13.501 1.00 0.00 C ATOM 272 CG ASP A 19 -29.149 27.380 -14.403 1.00 0.00 C ATOM 273 OD1 ASP A 19 -29.146 27.034 -15.572 1.00 0.00 O ATOM 274 OD2 ASP A 19 -29.995 28.107 -13.908 1.00 0.00 O ATOM 0 H ASP A 19 -27.706 26.098 -16.039 1.00 0.00 H new ATOM 0 HA ASP A 19 -26.809 25.062 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -28.370 26.798 -12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -27.190 27.575 -13.507 1.00 0.00 H new ATOM 279 N PHE A 20 -29.597 24.699 -15.024 1.00 0.00 N ATOM 280 CA PHE A 20 -30.773 23.791 -15.144 1.00 0.00 C ATOM 281 C PHE A 20 -30.479 22.670 -16.140 1.00 0.00 C ATOM 282 O PHE A 20 -29.731 22.845 -17.082 1.00 0.00 O ATOM 283 CB PHE A 20 -31.904 24.678 -15.664 1.00 0.00 C ATOM 284 CG PHE A 20 -32.668 25.256 -14.500 1.00 0.00 C ATOM 285 CD1 PHE A 20 -33.017 24.440 -13.418 1.00 0.00 C ATOM 286 CD2 PHE A 20 -33.029 26.608 -14.502 1.00 0.00 C ATOM 287 CE1 PHE A 20 -33.726 24.976 -12.337 1.00 0.00 C ATOM 288 CE2 PHE A 20 -33.738 27.145 -13.421 1.00 0.00 C ATOM 289 CZ PHE A 20 -34.087 26.329 -12.339 1.00 0.00 C ATOM 0 H PHE A 20 -29.537 25.427 -15.736 1.00 0.00 H new ATOM 0 HA PHE A 20 -31.024 23.317 -14.195 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -31.497 25.480 -16.280 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -32.573 24.097 -16.299 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -32.739 23.396 -13.417 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -32.761 27.237 -15.338 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -33.995 24.346 -11.502 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.016 28.189 -13.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 -34.635 26.743 -11.505 1.00 0.00 H new ATOM 299 N TYR A 21 -31.064 21.521 -15.946 1.00 0.00 N ATOM 300 CA TYR A 21 -30.816 20.398 -16.891 1.00 0.00 C ATOM 301 C TYR A 21 -32.132 19.765 -17.340 1.00 0.00 C ATOM 302 O TYR A 21 -32.156 18.861 -18.150 1.00 0.00 O ATOM 303 CB TYR A 21 -29.979 19.395 -16.112 1.00 0.00 C ATOM 304 CG TYR A 21 -28.556 19.522 -16.572 1.00 0.00 C ATOM 305 CD1 TYR A 21 -27.836 20.693 -16.313 1.00 0.00 C ATOM 306 CD2 TYR A 21 -27.968 18.484 -17.288 1.00 0.00 C ATOM 307 CE1 TYR A 21 -26.522 20.821 -16.777 1.00 0.00 C ATOM 308 CE2 TYR A 21 -26.659 18.607 -17.749 1.00 0.00 C ATOM 309 CZ TYR A 21 -25.933 19.777 -17.498 1.00 0.00 C ATOM 310 OH TYR A 21 -24.638 19.901 -17.957 1.00 0.00 O ATOM 0 H TYR A 21 -31.701 21.312 -15.177 1.00 0.00 H new ATOM 0 HA TYR A 21 -30.310 20.736 -17.795 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -30.052 19.587 -15.042 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -30.345 18.382 -16.279 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -28.294 21.497 -15.756 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -28.527 17.582 -17.487 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -25.964 21.724 -16.579 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -26.204 17.798 -18.301 1.00 0.00 H new ATOM 0 HH TYR A 21 -24.341 19.047 -18.334 1.00 0.00 H new ATOM 320 N THR A 22 -33.226 20.238 -16.822 1.00 0.00 N ATOM 321 CA THR A 22 -34.545 19.676 -17.215 1.00 0.00 C ATOM 322 C THR A 22 -34.498 18.144 -17.287 1.00 0.00 C ATOM 323 O THR A 22 -34.605 17.467 -16.284 1.00 0.00 O ATOM 324 CB THR A 22 -34.842 20.279 -18.589 1.00 0.00 C ATOM 325 OG1 THR A 22 -33.685 20.178 -19.407 1.00 0.00 O ATOM 326 CG2 THR A 22 -35.233 21.749 -18.433 1.00 0.00 C ATOM 0 H THR A 22 -33.265 20.994 -16.139 1.00 0.00 H new ATOM 0 HA THR A 22 -35.319 19.918 -16.487 1.00 0.00 H new ATOM 0 HB THR A 22 -35.666 19.736 -19.053 1.00 0.00 H new ATOM 0 HG1 THR A 22 -33.196 19.359 -19.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -35.444 22.175 -19.414 1.00 0.00 H new ATOM 0 HG22 THR A 22 -36.121 21.825 -17.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -34.413 22.296 -17.968 1.00 0.00 H new ATOM 334 N ASP A 23 -34.358 17.590 -18.463 1.00 0.00 N ATOM 335 CA ASP A 23 -34.327 16.102 -18.586 1.00 0.00 C ATOM 336 C ASP A 23 -33.606 15.693 -19.875 1.00 0.00 C ATOM 337 O ASP A 23 -33.803 16.278 -20.921 1.00 0.00 O ATOM 338 CB ASP A 23 -35.804 15.692 -18.629 1.00 0.00 C ATOM 339 CG ASP A 23 -35.957 14.318 -19.290 1.00 0.00 C ATOM 340 OD1 ASP A 23 -34.977 13.596 -19.349 1.00 0.00 O ATOM 341 OD2 ASP A 23 -37.054 14.013 -19.726 1.00 0.00 O ATOM 0 H ASP A 23 -34.264 18.101 -19.341 1.00 0.00 H new ATOM 0 HA ASP A 23 -33.792 15.621 -17.767 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -36.210 15.664 -17.618 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -36.378 16.435 -19.182 1.00 0.00 H new ATOM 346 N GLY A 24 -32.772 14.691 -19.804 1.00 0.00 N ATOM 347 CA GLY A 24 -32.039 14.242 -21.022 1.00 0.00 C ATOM 348 C GLY A 24 -30.757 15.059 -21.168 1.00 0.00 C ATOM 349 O GLY A 24 -30.217 15.200 -22.247 1.00 0.00 O ATOM 0 H GLY A 24 -32.567 14.164 -18.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -31.801 13.181 -20.947 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -32.666 14.367 -21.905 1.00 0.00 H new ATOM 353 N SER A 25 -30.266 15.600 -20.087 1.00 0.00 N ATOM 354 CA SER A 25 -29.016 16.413 -20.160 1.00 0.00 C ATOM 355 C SER A 25 -27.914 15.736 -19.335 1.00 0.00 C ATOM 356 O SER A 25 -28.190 14.967 -18.435 1.00 0.00 O ATOM 357 CB SER A 25 -29.416 17.773 -19.592 1.00 0.00 C ATOM 358 OG SER A 25 -30.306 18.413 -20.498 1.00 0.00 O ATOM 0 H SER A 25 -30.675 15.515 -19.156 1.00 0.00 H new ATOM 0 HA SER A 25 -28.615 16.513 -21.169 1.00 0.00 H new ATOM 0 HB2 SER A 25 -29.894 17.649 -18.620 1.00 0.00 H new ATOM 0 HB3 SER A 25 -28.531 18.390 -19.435 1.00 0.00 H new ATOM 0 HG SER A 25 -31.104 18.715 -20.015 1.00 0.00 H new ATOM 364 N VAL A 26 -26.667 15.972 -19.659 1.00 0.00 N ATOM 365 CA VAL A 26 -25.570 15.283 -18.911 1.00 0.00 C ATOM 366 C VAL A 26 -24.543 16.263 -18.341 1.00 0.00 C ATOM 367 O VAL A 26 -24.289 17.317 -18.891 1.00 0.00 O ATOM 368 CB VAL A 26 -24.924 14.376 -19.958 1.00 0.00 C ATOM 369 CG1 VAL A 26 -23.575 13.869 -19.448 1.00 0.00 C ATOM 370 CG2 VAL A 26 -25.846 13.189 -20.237 1.00 0.00 C ATOM 0 H VAL A 26 -26.363 16.604 -20.400 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.954 14.742 -18.046 1.00 0.00 H new ATOM 0 HB VAL A 26 -24.767 14.941 -20.876 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.121 13.223 -20.200 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.918 14.717 -19.253 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -23.723 13.305 -18.527 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.388 12.540 -20.984 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.005 12.627 -19.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.804 13.552 -20.610 1.00 0.00 H new ATOM 380 N VAL A 27 -23.949 15.909 -17.230 1.00 0.00 N ATOM 381 CA VAL A 27 -22.936 16.807 -16.602 1.00 0.00 C ATOM 382 C VAL A 27 -21.600 16.116 -16.464 1.00 0.00 C ATOM 383 O VAL A 27 -21.473 15.120 -15.780 1.00 0.00 O ATOM 384 CB VAL A 27 -23.477 17.118 -15.215 1.00 0.00 C ATOM 385 CG1 VAL A 27 -22.395 17.785 -14.360 1.00 0.00 C ATOM 386 CG2 VAL A 27 -24.642 18.063 -15.362 1.00 0.00 C ATOM 0 H VAL A 27 -24.122 15.036 -16.731 1.00 0.00 H new ATOM 0 HA VAL A 27 -22.780 17.698 -17.209 1.00 0.00 H new ATOM 0 HB VAL A 27 -23.789 16.194 -14.729 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.796 18.002 -13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.541 17.115 -14.266 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -22.077 18.714 -14.834 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -25.045 18.299 -14.377 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -24.308 18.980 -15.847 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -25.417 17.594 -15.968 1.00 0.00 H new ATOM 396 N THR A 28 -20.586 16.657 -17.058 1.00 0.00 N ATOM 397 CA THR A 28 -19.265 16.033 -16.890 1.00 0.00 C ATOM 398 C THR A 28 -18.790 16.351 -15.481 1.00 0.00 C ATOM 399 O THR A 28 -18.383 17.455 -15.181 1.00 0.00 O ATOM 400 CB THR A 28 -18.357 16.658 -17.948 1.00 0.00 C ATOM 401 OG1 THR A 28 -19.108 17.562 -18.748 1.00 0.00 O ATOM 402 CG2 THR A 28 -17.780 15.551 -18.829 1.00 0.00 C ATOM 0 H THR A 28 -20.615 17.492 -17.644 1.00 0.00 H new ATOM 0 HA THR A 28 -19.274 14.950 -17.015 1.00 0.00 H new ATOM 0 HB THR A 28 -17.546 17.200 -17.461 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.129 18.441 -18.316 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.131 15.990 -19.587 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.204 14.860 -18.214 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.593 15.012 -19.316 1.00 0.00 H new ATOM 410 N TYR A 29 -18.878 15.399 -14.605 1.00 0.00 N ATOM 411 CA TYR A 29 -18.477 15.653 -13.201 1.00 0.00 C ATOM 412 C TYR A 29 -16.969 15.881 -13.115 1.00 0.00 C ATOM 413 O TYR A 29 -16.182 15.033 -13.476 1.00 0.00 O ATOM 414 CB TYR A 29 -18.856 14.372 -12.454 1.00 0.00 C ATOM 415 CG TYR A 29 -20.235 14.490 -11.847 1.00 0.00 C ATOM 416 CD1 TYR A 29 -21.089 15.540 -12.206 1.00 0.00 C ATOM 417 CD2 TYR A 29 -20.656 13.535 -10.918 1.00 0.00 C ATOM 418 CE1 TYR A 29 -22.361 15.633 -11.632 1.00 0.00 C ATOM 419 CE2 TYR A 29 -21.928 13.626 -10.346 1.00 0.00 C ATOM 420 CZ TYR A 29 -22.782 14.676 -10.699 1.00 0.00 C ATOM 421 OH TYR A 29 -24.036 14.766 -10.130 1.00 0.00 O ATOM 0 H TYR A 29 -19.211 14.455 -14.800 1.00 0.00 H new ATOM 0 HA TYR A 29 -18.960 16.538 -12.786 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -18.827 13.525 -13.139 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.125 14.173 -11.670 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -20.766 16.278 -12.926 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -19.997 12.725 -10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -23.019 16.443 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -22.252 12.885 -9.631 1.00 0.00 H new ATOM 0 HH TYR A 29 -24.166 14.022 -9.506 1.00 0.00 H new ATOM 431 N SER A 30 -16.555 17.016 -12.627 1.00 0.00 N ATOM 432 CA SER A 30 -15.097 17.272 -12.507 1.00 0.00 C ATOM 433 C SER A 30 -14.528 16.392 -11.394 1.00 0.00 C ATOM 434 O SER A 30 -15.153 15.443 -10.966 1.00 0.00 O ATOM 435 CB SER A 30 -14.975 18.752 -12.149 1.00 0.00 C ATOM 436 OG SER A 30 -14.918 19.520 -13.343 1.00 0.00 O ATOM 0 H SER A 30 -17.160 17.772 -12.308 1.00 0.00 H new ATOM 0 HA SER A 30 -14.548 17.043 -13.421 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.826 19.063 -11.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.079 18.921 -11.551 1.00 0.00 H new ATOM 0 HG SER A 30 -14.841 20.471 -13.117 1.00 0.00 H new ATOM 442 N CYS A 31 -13.353 16.689 -10.917 1.00 0.00 N ATOM 443 CA CYS A 31 -12.771 15.846 -9.836 1.00 0.00 C ATOM 444 C CYS A 31 -11.601 16.564 -9.161 1.00 0.00 C ATOM 445 O CYS A 31 -11.018 17.477 -9.712 1.00 0.00 O ATOM 446 CB CYS A 31 -12.276 14.589 -10.548 1.00 0.00 C ATOM 447 SG CYS A 31 -12.129 13.241 -9.353 1.00 0.00 S ATOM 0 H CYS A 31 -12.775 17.471 -11.224 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.498 15.625 -9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.968 14.311 -11.343 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.311 14.780 -11.018 1.00 0.00 H new ATOM 452 N ASN A 32 -11.246 16.149 -7.975 1.00 0.00 N ATOM 453 CA ASN A 32 -10.104 16.797 -7.270 1.00 0.00 C ATOM 454 C ASN A 32 -8.856 16.746 -8.155 1.00 0.00 C ATOM 455 O ASN A 32 -8.635 15.793 -8.875 1.00 0.00 O ATOM 456 CB ASN A 32 -9.897 15.965 -6.003 1.00 0.00 C ATOM 457 CG ASN A 32 -9.385 16.865 -4.876 1.00 0.00 C ATOM 458 OD1 ASN A 32 -9.104 18.028 -5.090 1.00 0.00 O ATOM 459 ND2 ASN A 32 -9.251 16.371 -3.675 1.00 0.00 N ATOM 0 H ASN A 32 -11.697 15.390 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.295 17.845 -7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.835 15.494 -5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.184 15.163 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.910 16.961 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.487 15.395 -3.496 1.00 0.00 H new ATOM 466 N SER A 33 -8.042 17.764 -8.111 1.00 0.00 N ATOM 467 CA SER A 33 -6.812 17.771 -8.956 1.00 0.00 C ATOM 468 C SER A 33 -5.919 16.576 -8.610 1.00 0.00 C ATOM 469 O SER A 33 -4.939 16.706 -7.903 1.00 0.00 O ATOM 470 CB SER A 33 -6.105 19.082 -8.615 1.00 0.00 C ATOM 471 OG SER A 33 -5.428 19.563 -9.768 1.00 0.00 O ATOM 0 H SER A 33 -8.174 18.591 -7.528 1.00 0.00 H new ATOM 0 HA SER A 33 -7.044 17.695 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.829 19.820 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.396 18.926 -7.802 1.00 0.00 H new ATOM 0 HG SER A 33 -4.975 20.405 -9.554 1.00 0.00 H new ATOM 477 N GLY A 34 -6.246 15.412 -9.104 1.00 0.00 N ATOM 478 CA GLY A 34 -5.410 14.215 -8.803 1.00 0.00 C ATOM 479 C GLY A 34 -6.265 12.950 -8.896 1.00 0.00 C ATOM 480 O GLY A 34 -5.777 11.880 -9.204 1.00 0.00 O ATOM 0 H GLY A 34 -7.054 15.239 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.578 14.155 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.980 14.302 -7.805 1.00 0.00 H new ATOM 484 N TYR A 35 -7.538 13.060 -8.630 1.00 0.00 N ATOM 485 CA TYR A 35 -8.422 11.861 -8.703 1.00 0.00 C ATOM 486 C TYR A 35 -8.946 11.677 -10.130 1.00 0.00 C ATOM 487 O TYR A 35 -9.373 12.617 -10.771 1.00 0.00 O ATOM 488 CB TYR A 35 -9.575 12.160 -7.744 1.00 0.00 C ATOM 489 CG TYR A 35 -9.272 11.576 -6.384 1.00 0.00 C ATOM 490 CD1 TYR A 35 -9.605 10.246 -6.106 1.00 0.00 C ATOM 491 CD2 TYR A 35 -8.662 12.365 -5.401 1.00 0.00 C ATOM 492 CE1 TYR A 35 -9.329 9.704 -4.845 1.00 0.00 C ATOM 493 CE2 TYR A 35 -8.385 11.822 -4.140 1.00 0.00 C ATOM 494 CZ TYR A 35 -8.719 10.492 -3.863 1.00 0.00 C ATOM 495 OH TYR A 35 -8.447 9.957 -2.620 1.00 0.00 O ATOM 0 H TYR A 35 -8.004 13.928 -8.365 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.897 10.944 -8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -9.723 13.237 -7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.502 11.739 -8.133 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.075 9.637 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.405 13.392 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.587 8.677 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.914 12.430 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.022 10.637 -2.057 1.00 0.00 H new ATOM 505 N SER A 36 -8.917 10.473 -10.631 1.00 0.00 N ATOM 506 CA SER A 36 -9.415 10.226 -12.014 1.00 0.00 C ATOM 507 C SER A 36 -10.937 10.129 -12.025 1.00 0.00 C ATOM 508 O SER A 36 -11.542 9.575 -11.129 1.00 0.00 O ATOM 509 CB SER A 36 -8.813 8.890 -12.430 1.00 0.00 C ATOM 510 OG SER A 36 -8.639 8.877 -13.841 1.00 0.00 O ATOM 0 H SER A 36 -8.569 9.648 -10.142 1.00 0.00 H new ATOM 0 HA SER A 36 -9.135 11.034 -12.689 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.856 8.738 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.465 8.072 -12.124 1.00 0.00 H new ATOM 0 HG SER A 36 -9.495 8.676 -14.274 1.00 0.00 H new ATOM 516 N LEU A 37 -11.559 10.645 -13.044 1.00 0.00 N ATOM 517 CA LEU A 37 -13.038 10.562 -13.124 1.00 0.00 C ATOM 518 C LEU A 37 -13.429 9.328 -13.935 1.00 0.00 C ATOM 519 O LEU A 37 -13.208 9.264 -15.128 1.00 0.00 O ATOM 520 CB LEU A 37 -13.476 11.837 -13.838 1.00 0.00 C ATOM 521 CG LEU A 37 -14.984 11.785 -14.070 1.00 0.00 C ATOM 522 CD1 LEU A 37 -15.695 12.592 -12.984 1.00 0.00 C ATOM 523 CD2 LEU A 37 -15.309 12.375 -15.445 1.00 0.00 C ATOM 0 H LEU A 37 -11.106 11.121 -13.825 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.508 10.475 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.217 12.711 -13.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.952 11.935 -14.789 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.323 10.750 -14.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.772 12.555 -13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.463 12.169 -12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.358 13.628 -13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.386 12.338 -15.611 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.971 13.410 -15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.802 11.797 -16.218 1.00 0.00 H new ATOM 535 N ILE A 38 -14.002 8.345 -13.303 1.00 0.00 N ATOM 536 CA ILE A 38 -14.394 7.117 -14.054 1.00 0.00 C ATOM 537 C ILE A 38 -15.904 7.121 -14.292 1.00 0.00 C ATOM 538 O ILE A 38 -16.649 7.771 -13.590 1.00 0.00 O ATOM 539 CB ILE A 38 -13.976 5.905 -13.193 1.00 0.00 C ATOM 540 CG1 ILE A 38 -13.003 6.313 -12.077 1.00 0.00 C ATOM 541 CG2 ILE A 38 -13.270 4.891 -14.085 1.00 0.00 C ATOM 542 CD1 ILE A 38 -11.744 6.920 -12.701 1.00 0.00 C ATOM 0 H ILE A 38 -14.216 8.335 -12.306 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.905 7.073 -15.027 1.00 0.00 H new ATOM 0 HB ILE A 38 -14.875 5.486 -12.740 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.477 7.034 -11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.741 5.445 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.969 4.029 -13.489 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.948 4.567 -14.875 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.387 5.350 -14.530 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.051 7.211 -11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.268 6.184 -13.349 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.015 7.798 -13.287 1.00 0.00 H new ATOM 554 N GLY A 39 -16.363 6.414 -15.285 1.00 0.00 N ATOM 555 CA GLY A 39 -17.825 6.394 -15.567 1.00 0.00 C ATOM 556 C GLY A 39 -18.066 6.848 -17.009 1.00 0.00 C ATOM 557 O GLY A 39 -17.266 6.596 -17.888 1.00 0.00 O ATOM 0 H GLY A 39 -15.791 5.850 -15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.222 5.390 -15.418 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -18.350 7.051 -14.874 1.00 0.00 H new ATOM 561 N ASN A 40 -19.157 7.519 -17.262 1.00 0.00 N ATOM 562 CA ASN A 40 -19.432 7.985 -18.651 1.00 0.00 C ATOM 563 C ASN A 40 -19.207 9.492 -18.751 1.00 0.00 C ATOM 564 O ASN A 40 -20.075 10.230 -19.170 1.00 0.00 O ATOM 565 CB ASN A 40 -20.897 7.635 -18.912 1.00 0.00 C ATOM 566 CG ASN A 40 -21.016 6.891 -20.245 1.00 0.00 C ATOM 567 OD1 ASN A 40 -21.106 7.504 -21.290 1.00 0.00 O ATOM 568 ND2 ASN A 40 -21.022 5.586 -20.252 1.00 0.00 N ATOM 0 H ASN A 40 -19.866 7.764 -16.571 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.773 7.517 -19.382 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.284 7.016 -18.102 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.500 8.543 -18.935 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -21.102 5.081 -21.135 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.946 5.071 -19.375 1.00 0.00 H new ATOM 575 N SER A 41 -18.031 9.926 -18.369 1.00 0.00 N ATOM 576 CA SER A 41 -17.658 11.381 -18.415 1.00 0.00 C ATOM 577 C SER A 41 -18.881 12.286 -18.604 1.00 0.00 C ATOM 578 O SER A 41 -18.948 13.064 -19.535 1.00 0.00 O ATOM 579 CB SER A 41 -16.720 11.504 -19.614 1.00 0.00 C ATOM 580 OG SER A 41 -17.265 10.783 -20.711 1.00 0.00 O ATOM 0 H SER A 41 -17.292 9.318 -18.017 1.00 0.00 H new ATOM 0 HA SER A 41 -17.198 11.698 -17.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.589 12.552 -19.882 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.734 11.114 -19.361 1.00 0.00 H new ATOM 0 HG SER A 41 -16.667 10.861 -21.483 1.00 0.00 H new ATOM 586 N GLY A 42 -19.849 12.192 -17.734 1.00 0.00 N ATOM 587 CA GLY A 42 -21.058 13.050 -17.881 1.00 0.00 C ATOM 588 C GLY A 42 -22.250 12.392 -17.187 1.00 0.00 C ATOM 589 O GLY A 42 -22.674 11.314 -17.555 1.00 0.00 O ATOM 0 H GLY A 42 -19.855 11.562 -16.932 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -20.872 14.033 -17.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -21.280 13.203 -18.937 1.00 0.00 H new ATOM 593 N VAL A 43 -22.813 13.037 -16.201 1.00 0.00 N ATOM 594 CA VAL A 43 -23.995 12.437 -15.515 1.00 0.00 C ATOM 595 C VAL A 43 -25.174 12.489 -16.477 1.00 0.00 C ATOM 596 O VAL A 43 -25.040 12.954 -17.587 1.00 0.00 O ATOM 597 CB VAL A 43 -24.286 13.299 -14.284 1.00 0.00 C ATOM 598 CG1 VAL A 43 -25.010 12.447 -13.241 1.00 0.00 C ATOM 599 CG2 VAL A 43 -22.983 13.819 -13.677 1.00 0.00 C ATOM 0 H VAL A 43 -22.511 13.943 -15.843 1.00 0.00 H new ATOM 0 HA VAL A 43 -23.817 11.404 -15.218 1.00 0.00 H new ATOM 0 HB VAL A 43 -24.904 14.146 -14.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -25.222 13.053 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -25.946 12.076 -13.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -24.380 11.604 -12.959 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -23.207 14.430 -12.803 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -22.358 12.977 -13.380 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -22.453 14.422 -14.415 1.00 0.00 H new ATOM 609 N LEU A 44 -26.326 12.039 -16.081 1.00 0.00 N ATOM 610 CA LEU A 44 -27.481 12.103 -17.016 1.00 0.00 C ATOM 611 C LEU A 44 -28.768 12.399 -16.256 1.00 0.00 C ATOM 612 O LEU A 44 -29.402 11.515 -15.716 1.00 0.00 O ATOM 613 CB LEU A 44 -27.549 10.723 -17.679 1.00 0.00 C ATOM 614 CG LEU A 44 -28.858 10.585 -18.467 1.00 0.00 C ATOM 615 CD1 LEU A 44 -28.615 10.929 -19.937 1.00 0.00 C ATOM 616 CD2 LEU A 44 -29.366 9.145 -18.362 1.00 0.00 C ATOM 0 H LEU A 44 -26.519 11.635 -15.165 1.00 0.00 H new ATOM 0 HA LEU A 44 -27.362 12.897 -17.753 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -26.697 10.588 -18.346 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -27.487 9.942 -16.921 1.00 0.00 H new ATOM 0 HG LEU A 44 -29.600 11.268 -18.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -29.547 10.830 -20.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -28.253 11.954 -20.016 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -27.871 10.249 -20.352 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -30.296 9.046 -18.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -28.620 8.465 -18.774 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -29.544 8.897 -17.316 1.00 0.00 H new ATOM 628 N CYS A 45 -29.173 13.635 -16.229 1.00 0.00 N ATOM 629 CA CYS A 45 -30.434 13.975 -15.522 1.00 0.00 C ATOM 630 C CYS A 45 -31.617 13.729 -16.454 1.00 0.00 C ATOM 631 O CYS A 45 -31.792 14.412 -17.449 1.00 0.00 O ATOM 632 CB CYS A 45 -30.324 15.457 -15.170 1.00 0.00 C ATOM 633 SG CYS A 45 -31.162 15.752 -13.594 1.00 0.00 S ATOM 0 H CYS A 45 -28.688 14.420 -16.663 1.00 0.00 H new ATOM 0 HA CYS A 45 -30.586 13.370 -14.628 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -29.277 15.751 -15.100 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -30.774 16.065 -15.955 1.00 0.00 H new ATOM 638 N SER A 46 -32.422 12.751 -16.146 1.00 0.00 N ATOM 639 CA SER A 46 -33.593 12.450 -17.015 1.00 0.00 C ATOM 640 C SER A 46 -34.888 12.511 -16.201 1.00 0.00 C ATOM 641 O SER A 46 -35.298 11.542 -15.592 1.00 0.00 O ATOM 642 CB SER A 46 -33.353 11.034 -17.536 1.00 0.00 C ATOM 643 OG SER A 46 -32.810 11.104 -18.848 1.00 0.00 O ATOM 0 H SER A 46 -32.320 12.147 -15.330 1.00 0.00 H new ATOM 0 HA SER A 46 -33.695 13.169 -17.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 -32.670 10.501 -16.875 1.00 0.00 H new ATOM 0 HB3 SER A 46 -34.288 10.474 -17.546 1.00 0.00 H new ATOM 0 HG SER A 46 -32.653 10.198 -19.186 1.00 0.00 H new ATOM 649 N GLY A 47 -35.533 13.644 -16.185 1.00 0.00 N ATOM 650 CA GLY A 47 -36.800 13.772 -15.412 1.00 0.00 C ATOM 651 C GLY A 47 -36.477 14.136 -13.963 1.00 0.00 C ATOM 652 O GLY A 47 -36.786 13.403 -13.044 1.00 0.00 O ATOM 0 H GLY A 47 -35.237 14.488 -16.675 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -37.435 14.538 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -37.357 12.836 -15.448 1.00 0.00 H new ATOM 656 N GLY A 48 -35.856 15.264 -13.750 1.00 0.00 N ATOM 657 CA GLY A 48 -35.514 15.674 -12.361 1.00 0.00 C ATOM 658 C GLY A 48 -34.821 14.516 -11.640 1.00 0.00 C ATOM 659 O GLY A 48 -34.879 14.402 -10.432 1.00 0.00 O ATOM 0 H GLY A 48 -35.571 15.919 -14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -34.862 16.547 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -36.417 15.962 -11.823 1.00 0.00 H new ATOM 663 N GLU A 49 -34.165 13.655 -12.370 1.00 0.00 N ATOM 664 CA GLU A 49 -33.471 12.508 -11.719 1.00 0.00 C ATOM 665 C GLU A 49 -32.078 12.311 -12.326 1.00 0.00 C ATOM 666 O GLU A 49 -31.934 11.874 -13.451 1.00 0.00 O ATOM 667 CB GLU A 49 -34.358 11.294 -12.004 1.00 0.00 C ATOM 668 CG GLU A 49 -35.382 11.133 -10.878 1.00 0.00 C ATOM 669 CD GLU A 49 -36.414 10.075 -11.272 1.00 0.00 C ATOM 670 OE1 GLU A 49 -36.048 8.914 -11.340 1.00 0.00 O ATOM 671 OE2 GLU A 49 -37.555 10.445 -11.499 1.00 0.00 O ATOM 0 H GLU A 49 -34.080 13.696 -13.386 1.00 0.00 H new ATOM 0 HA GLU A 49 -33.328 12.668 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -34.869 11.420 -12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -33.747 10.395 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -34.880 10.841 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -35.877 12.084 -10.684 1.00 0.00 H new ATOM 678 N TRP A 50 -31.051 12.625 -11.585 1.00 0.00 N ATOM 679 CA TRP A 50 -29.666 12.451 -12.110 1.00 0.00 C ATOM 680 C TRP A 50 -29.297 10.965 -12.111 1.00 0.00 C ATOM 681 O TRP A 50 -29.555 10.255 -11.159 1.00 0.00 O ATOM 682 CB TRP A 50 -28.780 13.234 -11.138 1.00 0.00 C ATOM 683 CG TRP A 50 -28.831 14.683 -11.495 1.00 0.00 C ATOM 684 CD1 TRP A 50 -29.482 15.639 -10.792 1.00 0.00 C ATOM 685 CD2 TRP A 50 -28.226 15.353 -12.635 1.00 0.00 C ATOM 686 NE1 TRP A 50 -29.316 16.854 -11.433 1.00 0.00 N ATOM 687 CE2 TRP A 50 -28.549 16.729 -12.574 1.00 0.00 C ATOM 688 CE3 TRP A 50 -27.438 14.900 -13.706 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -28.105 17.627 -13.545 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -26.987 15.797 -14.684 1.00 0.00 C ATOM 691 CH2 TRP A 50 -27.322 17.157 -14.603 1.00 0.00 C ATOM 0 H TRP A 50 -31.111 12.995 -10.637 1.00 0.00 H new ATOM 0 HA TRP A 50 -29.553 12.806 -13.134 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -29.122 13.086 -10.114 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -27.754 12.870 -11.187 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -30.039 15.480 -9.881 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -29.712 17.734 -11.103 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -27.178 13.854 -13.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -28.363 18.674 -13.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -26.380 15.440 -15.503 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -26.974 17.843 -15.361 1.00 0.00 H new ATOM 702 N SER A 51 -28.706 10.483 -13.171 1.00 0.00 N ATOM 703 CA SER A 51 -28.342 9.037 -13.217 1.00 0.00 C ATOM 704 C SER A 51 -27.019 8.825 -13.959 1.00 0.00 C ATOM 705 O SER A 51 -26.599 9.637 -14.760 1.00 0.00 O ATOM 706 CB SER A 51 -29.488 8.366 -13.973 1.00 0.00 C ATOM 707 OG SER A 51 -30.431 7.859 -13.039 1.00 0.00 O ATOM 0 H SER A 51 -28.461 11.023 -14.001 1.00 0.00 H new ATOM 0 HA SER A 51 -28.205 8.624 -12.218 1.00 0.00 H new ATOM 0 HB2 SER A 51 -29.968 9.082 -14.640 1.00 0.00 H new ATOM 0 HB3 SER A 51 -29.105 7.558 -14.596 1.00 0.00 H new ATOM 0 HG SER A 51 -30.430 8.420 -12.236 1.00 0.00 H new ATOM 713 N ASP A 52 -26.370 7.725 -13.694 1.00 0.00 N ATOM 714 CA ASP A 52 -25.074 7.420 -14.368 1.00 0.00 C ATOM 715 C ASP A 52 -24.009 8.452 -13.998 1.00 0.00 C ATOM 716 O ASP A 52 -23.520 9.179 -14.840 1.00 0.00 O ATOM 717 CB ASP A 52 -25.377 7.468 -15.866 1.00 0.00 C ATOM 718 CG ASP A 52 -24.349 6.625 -16.623 1.00 0.00 C ATOM 719 OD1 ASP A 52 -24.565 5.431 -16.744 1.00 0.00 O ATOM 720 OD2 ASP A 52 -23.363 7.189 -17.068 1.00 0.00 O ATOM 0 H ASP A 52 -26.685 7.016 -13.032 1.00 0.00 H new ATOM 0 HA ASP A 52 -24.680 6.450 -14.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -26.382 7.092 -16.057 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -25.350 8.498 -16.220 1.00 0.00 H new ATOM 725 N PRO A 53 -23.681 8.460 -12.742 1.00 0.00 N ATOM 726 CA PRO A 53 -22.659 9.379 -12.215 1.00 0.00 C ATOM 727 C PRO A 53 -21.291 8.697 -12.241 1.00 0.00 C ATOM 728 O PRO A 53 -21.159 7.564 -11.824 1.00 0.00 O ATOM 729 CB PRO A 53 -23.111 9.596 -10.777 1.00 0.00 C ATOM 730 CG PRO A 53 -23.911 8.371 -10.414 1.00 0.00 C ATOM 731 CD PRO A 53 -24.237 7.621 -11.690 1.00 0.00 C ATOM 0 HA PRO A 53 -22.563 10.305 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.256 9.717 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.715 10.499 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.344 7.735 -9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.827 8.655 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.790 6.627 -11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -25.312 7.488 -11.812 1.00 0.00 H new ATOM 739 N PRO A 54 -20.313 9.407 -12.724 1.00 0.00 N ATOM 740 CA PRO A 54 -18.947 8.850 -12.791 1.00 0.00 C ATOM 741 C PRO A 54 -18.317 8.856 -11.401 1.00 0.00 C ATOM 742 O PRO A 54 -18.907 9.312 -10.442 1.00 0.00 O ATOM 743 CB PRO A 54 -18.218 9.796 -13.737 1.00 0.00 C ATOM 744 CG PRO A 54 -18.961 11.093 -13.643 1.00 0.00 C ATOM 745 CD PRO A 54 -20.384 10.775 -13.246 1.00 0.00 C ATOM 0 HA PRO A 54 -18.912 7.817 -13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -17.175 9.918 -13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -18.222 9.413 -14.757 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.495 11.749 -12.907 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.938 11.618 -14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -20.752 11.471 -12.492 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -21.060 10.842 -14.098 1.00 0.00 H new ATOM 753 N THR A 55 -17.133 8.336 -11.281 1.00 0.00 N ATOM 754 CA THR A 55 -16.477 8.290 -9.949 1.00 0.00 C ATOM 755 C THR A 55 -15.283 9.231 -9.889 1.00 0.00 C ATOM 756 O THR A 55 -14.987 9.955 -10.818 1.00 0.00 O ATOM 757 CB THR A 55 -16.001 6.846 -9.806 1.00 0.00 C ATOM 758 OG1 THR A 55 -15.436 6.422 -11.035 1.00 0.00 O ATOM 759 CG2 THR A 55 -17.191 5.955 -9.466 1.00 0.00 C ATOM 0 H THR A 55 -16.589 7.940 -12.048 1.00 0.00 H new ATOM 0 HA THR A 55 -17.158 8.598 -9.155 1.00 0.00 H new ATOM 0 HB THR A 55 -15.256 6.779 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.134 6.022 -11.595 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.855 4.923 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.638 6.286 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.932 6.018 -10.263 1.00 0.00 H new ATOM 767 N CYS A 56 -14.591 9.199 -8.793 1.00 0.00 N ATOM 768 CA CYS A 56 -13.394 10.056 -8.625 1.00 0.00 C ATOM 769 C CYS A 56 -12.369 9.289 -7.814 1.00 0.00 C ATOM 770 O CYS A 56 -12.168 9.529 -6.640 1.00 0.00 O ATOM 771 CB CYS A 56 -13.889 11.288 -7.874 1.00 0.00 C ATOM 772 SG CYS A 56 -14.037 12.676 -9.021 1.00 0.00 S ATOM 0 H CYS A 56 -14.808 8.605 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.924 10.341 -9.566 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -14.854 11.081 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.197 11.539 -7.070 1.00 0.00 H new ATOM 777 N GLN A 57 -11.737 8.347 -8.439 1.00 0.00 N ATOM 778 CA GLN A 57 -10.732 7.523 -7.727 1.00 0.00 C ATOM 779 C GLN A 57 -9.340 7.805 -8.284 1.00 0.00 C ATOM 780 O GLN A 57 -9.101 8.826 -8.892 1.00 0.00 O ATOM 781 CB GLN A 57 -11.122 6.053 -7.976 1.00 0.00 C ATOM 782 CG GLN A 57 -12.295 5.934 -8.961 1.00 0.00 C ATOM 783 CD GLN A 57 -12.644 4.459 -9.170 1.00 0.00 C ATOM 784 OE1 GLN A 57 -11.854 3.586 -8.870 1.00 0.00 O ATOM 785 NE2 GLN A 57 -13.806 4.143 -9.675 1.00 0.00 N ATOM 0 H GLN A 57 -11.874 8.109 -9.421 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.712 7.748 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.262 5.510 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.392 5.583 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.162 6.472 -8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.031 6.394 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.469 4.876 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.051 3.163 -9.818 1.00 0.00 H new ATOM 794 N ILE A 58 -8.422 6.904 -8.091 1.00 0.00 N ATOM 795 CA ILE A 58 -7.048 7.120 -8.624 1.00 0.00 C ATOM 796 C ILE A 58 -6.778 6.081 -9.711 1.00 0.00 C ATOM 797 O ILE A 58 -7.021 4.905 -9.526 1.00 0.00 O ATOM 798 CB ILE A 58 -6.078 6.942 -7.442 1.00 0.00 C ATOM 799 CG1 ILE A 58 -6.815 7.057 -6.098 1.00 0.00 C ATOM 800 CG2 ILE A 58 -5.015 8.036 -7.510 1.00 0.00 C ATOM 801 CD1 ILE A 58 -7.308 5.675 -5.661 1.00 0.00 C ATOM 0 H ILE A 58 -8.561 6.028 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.926 8.111 -9.060 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.627 5.952 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.149 7.472 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.658 7.742 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.321 7.921 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.470 7.956 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.494 9.013 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.830 5.760 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.989 5.277 -6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.457 5.003 -5.550 1.00 0.00 H new ATOM 813 N VAL A 59 -6.308 6.498 -10.854 1.00 0.00 N ATOM 814 CA VAL A 59 -6.067 5.511 -11.945 1.00 0.00 C ATOM 815 C VAL A 59 -4.614 5.455 -12.348 1.00 0.00 C ATOM 816 O VAL A 59 -4.291 5.433 -13.516 1.00 0.00 O ATOM 817 CB VAL A 59 -6.886 6.007 -13.124 1.00 0.00 C ATOM 818 CG1 VAL A 59 -8.349 6.155 -12.703 1.00 0.00 C ATOM 819 CG2 VAL A 59 -6.321 7.352 -13.582 1.00 0.00 C ATOM 0 H VAL A 59 -6.083 7.467 -11.079 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.343 4.509 -11.617 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.834 5.295 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.937 6.511 -13.549 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.733 5.189 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.421 6.871 -11.884 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.900 7.720 -14.429 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.379 8.069 -12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.280 7.227 -13.881 1.00 0.00 H new ATOM 829 N LYS A 60 -3.735 5.393 -11.418 1.00 0.00 N ATOM 830 CA LYS A 60 -2.314 5.303 -11.818 1.00 0.00 C ATOM 831 C LYS A 60 -2.160 4.066 -12.684 1.00 0.00 C ATOM 832 O LYS A 60 -3.134 3.431 -13.032 1.00 0.00 O ATOM 833 CB LYS A 60 -1.508 5.196 -10.523 1.00 0.00 C ATOM 834 CG LYS A 60 -0.999 6.582 -10.125 1.00 0.00 C ATOM 835 CD LYS A 60 -1.306 6.835 -8.648 1.00 0.00 C ATOM 836 CE LYS A 60 -1.662 8.310 -8.444 1.00 0.00 C ATOM 837 NZ LYS A 60 -1.256 8.612 -7.043 1.00 0.00 N ATOM 0 H LYS A 60 -3.922 5.400 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.967 6.164 -12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.129 4.783 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.669 4.514 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.074 6.651 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.473 7.346 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.133 6.203 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.444 6.570 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.134 8.946 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.728 8.483 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.468 9.607 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.780 7.996 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.235 8.444 -6.933 1.00 0.00 H new ATOM 851 N CYS A 61 -0.976 3.725 -13.077 1.00 0.00 N ATOM 852 CA CYS A 61 -0.854 2.534 -13.961 1.00 0.00 C ATOM 853 C CYS A 61 0.366 1.667 -13.662 1.00 0.00 C ATOM 854 O CYS A 61 1.265 2.055 -12.942 1.00 0.00 O ATOM 855 CB CYS A 61 -0.756 3.117 -15.358 1.00 0.00 C ATOM 856 SG CYS A 61 -2.390 3.062 -16.116 1.00 0.00 S ATOM 0 H CYS A 61 -0.106 4.199 -12.837 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.703 1.865 -13.819 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.393 4.144 -15.315 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.042 2.551 -15.956 1.00 0.00 H new ATOM 861 N PRO A 62 0.328 0.500 -14.254 1.00 0.00 N ATOM 862 CA PRO A 62 1.405 -0.495 -14.105 1.00 0.00 C ATOM 863 C PRO A 62 2.463 -0.300 -15.190 1.00 0.00 C ATOM 864 O PRO A 62 3.581 0.099 -14.929 1.00 0.00 O ATOM 865 CB PRO A 62 0.674 -1.820 -14.320 1.00 0.00 C ATOM 866 CG PRO A 62 -0.534 -1.495 -15.153 1.00 0.00 C ATOM 867 CD PRO A 62 -0.741 0.001 -15.123 1.00 0.00 C ATOM 0 HA PRO A 62 1.924 -0.431 -13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.315 -2.542 -14.827 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.384 -2.265 -13.368 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.392 -1.838 -16.178 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.413 -2.008 -14.763 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.674 0.431 -16.122 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.725 0.258 -14.730 1.00 0.00 H new ATOM 875 N HIS A 63 2.108 -0.598 -16.409 1.00 0.00 N ATOM 876 CA HIS A 63 3.064 -0.461 -17.543 1.00 0.00 C ATOM 877 C HIS A 63 2.511 -1.208 -18.755 1.00 0.00 C ATOM 878 O HIS A 63 2.232 -2.388 -18.672 1.00 0.00 O ATOM 879 CB HIS A 63 4.344 -1.142 -17.071 1.00 0.00 C ATOM 880 CG HIS A 63 5.416 -0.118 -16.829 1.00 0.00 C ATOM 881 ND1 HIS A 63 6.766 -0.414 -16.950 1.00 0.00 N ATOM 882 CD2 HIS A 63 5.353 1.200 -16.470 1.00 0.00 C ATOM 883 CE1 HIS A 63 7.452 0.709 -16.667 1.00 0.00 C ATOM 884 NE2 HIS A 63 6.638 1.724 -16.368 1.00 0.00 N ATOM 0 H HIS A 63 1.182 -0.936 -16.671 1.00 0.00 H new ATOM 0 HA HIS A 63 3.230 0.579 -17.824 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.151 -1.701 -16.155 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.679 -1.861 -17.819 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.442 1.752 -16.292 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.530 0.780 -16.680 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.901 2.677 -16.119 1.00 0.00 H new ATOM 892 N PRO A 64 2.376 -0.514 -19.847 1.00 0.00 N ATOM 893 CA PRO A 64 1.857 -1.157 -21.070 1.00 0.00 C ATOM 894 C PRO A 64 2.958 -2.008 -21.700 1.00 0.00 C ATOM 895 O PRO A 64 3.619 -1.599 -22.635 1.00 0.00 O ATOM 896 CB PRO A 64 1.493 0.014 -21.967 1.00 0.00 C ATOM 897 CG PRO A 64 2.352 1.150 -21.503 1.00 0.00 C ATOM 898 CD PRO A 64 2.686 0.906 -20.053 1.00 0.00 C ATOM 0 HA PRO A 64 1.009 -1.818 -20.893 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.682 -0.220 -23.015 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.435 0.261 -21.881 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.262 1.211 -22.100 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.829 2.099 -21.621 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.734 1.119 -19.844 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.094 1.543 -19.395 1.00 0.00 H new ATOM 906 N THR A 65 3.170 -3.186 -21.185 1.00 0.00 N ATOM 907 CA THR A 65 4.240 -4.063 -21.742 1.00 0.00 C ATOM 908 C THR A 65 3.617 -5.148 -22.612 1.00 0.00 C ATOM 909 O THR A 65 2.411 -5.287 -22.679 1.00 0.00 O ATOM 910 CB THR A 65 4.949 -4.703 -20.535 1.00 0.00 C ATOM 911 OG1 THR A 65 4.486 -6.036 -20.372 1.00 0.00 O ATOM 912 CG2 THR A 65 4.666 -3.912 -19.255 1.00 0.00 C ATOM 0 H THR A 65 2.649 -3.581 -20.402 1.00 0.00 H new ATOM 0 HA THR A 65 4.939 -3.497 -22.358 1.00 0.00 H new ATOM 0 HB THR A 65 6.023 -4.696 -20.719 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.937 -6.447 -19.605 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.177 -4.383 -18.416 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.026 -2.890 -19.372 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.593 -3.899 -19.065 1.00 0.00 H new ATOM 920 N ILE A 66 4.424 -5.925 -23.275 1.00 0.00 N ATOM 921 CA ILE A 66 3.859 -7.004 -24.129 1.00 0.00 C ATOM 922 C ILE A 66 4.974 -7.940 -24.611 1.00 0.00 C ATOM 923 O ILE A 66 6.146 -7.639 -24.504 1.00 0.00 O ATOM 924 CB ILE A 66 3.161 -6.289 -25.308 1.00 0.00 C ATOM 925 CG1 ILE A 66 3.239 -7.140 -26.578 1.00 0.00 C ATOM 926 CG2 ILE A 66 3.803 -4.931 -25.583 1.00 0.00 C ATOM 927 CD1 ILE A 66 2.443 -6.452 -27.686 1.00 0.00 C ATOM 0 H ILE A 66 5.442 -5.861 -23.264 1.00 0.00 H new ATOM 0 HA ILE A 66 3.150 -7.629 -23.585 1.00 0.00 H new ATOM 0 HB ILE A 66 2.118 -6.143 -25.029 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.278 -7.267 -26.883 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.839 -8.136 -26.389 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.293 -4.450 -26.417 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.720 -4.303 -24.696 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.855 -5.070 -25.833 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.493 -7.051 -28.595 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.403 -6.348 -27.376 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.865 -5.465 -27.878 1.00 0.00 H new ATOM 939 N SER A 67 4.607 -9.079 -25.136 1.00 0.00 N ATOM 940 CA SER A 67 5.632 -10.049 -25.621 1.00 0.00 C ATOM 941 C SER A 67 6.224 -9.587 -26.956 1.00 0.00 C ATOM 942 O SER A 67 5.585 -9.662 -27.987 1.00 0.00 O ATOM 943 CB SER A 67 4.874 -11.363 -25.801 1.00 0.00 C ATOM 944 OG SER A 67 5.803 -12.410 -26.048 1.00 0.00 O ATOM 0 H SER A 67 3.639 -9.380 -25.250 1.00 0.00 H new ATOM 0 HA SER A 67 6.466 -10.145 -24.926 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.288 -11.584 -24.909 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.172 -11.281 -26.631 1.00 0.00 H new ATOM 0 HG SER A 67 5.320 -13.255 -26.163 1.00 0.00 H new ATOM 950 N ASN A 68 7.445 -9.120 -26.940 1.00 0.00 N ATOM 951 CA ASN A 68 8.095 -8.660 -28.204 1.00 0.00 C ATOM 952 C ASN A 68 7.087 -7.924 -29.093 1.00 0.00 C ATOM 953 O ASN A 68 6.880 -8.278 -30.236 1.00 0.00 O ATOM 954 CB ASN A 68 8.576 -9.940 -28.887 1.00 0.00 C ATOM 955 CG ASN A 68 9.822 -10.464 -28.170 1.00 0.00 C ATOM 956 OD1 ASN A 68 10.896 -10.494 -28.737 1.00 0.00 O ATOM 957 ND2 ASN A 68 9.724 -10.882 -26.937 1.00 0.00 N ATOM 0 H ASN A 68 8.022 -9.037 -26.103 1.00 0.00 H new ATOM 0 HA ASN A 68 8.911 -7.963 -28.014 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.788 -10.693 -28.867 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.802 -9.743 -29.935 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.549 -11.233 -26.451 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.823 -10.857 -26.460 1.00 0.00 H new ATOM 964 N GLY A 69 6.460 -6.903 -28.579 1.00 0.00 N ATOM 965 CA GLY A 69 5.468 -6.148 -29.397 1.00 0.00 C ATOM 966 C GLY A 69 5.095 -4.854 -28.674 1.00 0.00 C ATOM 967 O GLY A 69 3.979 -4.385 -28.758 1.00 0.00 O ATOM 0 H GLY A 69 6.591 -6.558 -27.628 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.886 -5.922 -30.378 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.578 -6.755 -29.562 1.00 0.00 H new ATOM 971 N TYR A 70 6.021 -4.293 -27.943 1.00 0.00 N ATOM 972 CA TYR A 70 5.738 -3.039 -27.186 1.00 0.00 C ATOM 973 C TYR A 70 4.999 -2.011 -28.009 1.00 0.00 C ATOM 974 O TYR A 70 4.598 -2.218 -29.131 1.00 0.00 O ATOM 975 CB TYR A 70 7.086 -2.435 -26.799 1.00 0.00 C ATOM 976 CG TYR A 70 8.006 -2.435 -27.998 1.00 0.00 C ATOM 977 CD1 TYR A 70 7.887 -1.417 -28.955 1.00 0.00 C ATOM 978 CD2 TYR A 70 8.976 -3.432 -28.157 1.00 0.00 C ATOM 979 CE1 TYR A 70 8.732 -1.396 -30.067 1.00 0.00 C ATOM 980 CE2 TYR A 70 9.823 -3.409 -29.272 1.00 0.00 C ATOM 981 CZ TYR A 70 9.701 -2.391 -30.226 1.00 0.00 C ATOM 982 OH TYR A 70 10.537 -2.368 -31.323 1.00 0.00 O ATOM 0 H TYR A 70 6.969 -4.653 -27.837 1.00 0.00 H new ATOM 0 HA TYR A 70 5.113 -3.292 -26.330 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.948 -1.417 -26.434 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.532 -3.008 -25.986 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.140 -0.647 -28.832 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.071 -4.217 -27.421 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.637 -0.612 -30.803 1.00 0.00 H new ATOM 0 HE2 TYR A 70 10.571 -4.178 -29.396 1.00 0.00 H new ATOM 0 HH TYR A 70 11.153 -3.129 -31.281 1.00 0.00 H new ATOM 992 N LEU A 71 4.853 -0.887 -27.406 1.00 0.00 N ATOM 993 CA LEU A 71 4.166 0.262 -28.033 1.00 0.00 C ATOM 994 C LEU A 71 5.196 1.258 -28.561 1.00 0.00 C ATOM 995 O LEU A 71 6.076 1.698 -27.849 1.00 0.00 O ATOM 996 CB LEU A 71 3.342 0.877 -26.895 1.00 0.00 C ATOM 997 CG LEU A 71 4.222 1.075 -25.649 1.00 0.00 C ATOM 998 CD1 LEU A 71 4.887 2.440 -25.696 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.361 0.961 -24.396 1.00 0.00 C ATOM 0 H LEU A 71 5.195 -0.704 -26.463 1.00 0.00 H new ATOM 0 HA LEU A 71 3.544 -0.023 -28.881 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.928 1.834 -27.212 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.499 0.229 -26.655 1.00 0.00 H new ATOM 0 HG LEU A 71 4.995 0.307 -25.628 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.508 2.573 -24.810 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.508 2.512 -26.589 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.122 3.216 -25.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.984 1.101 -23.513 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.584 1.725 -24.417 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.898 -0.025 -24.361 1.00 0.00 H new ATOM 1011 N SER A 72 5.094 1.615 -29.807 1.00 0.00 N ATOM 1012 CA SER A 72 6.063 2.585 -30.378 1.00 0.00 C ATOM 1013 C SER A 72 5.462 3.995 -30.335 1.00 0.00 C ATOM 1014 O SER A 72 6.055 4.951 -30.794 1.00 0.00 O ATOM 1015 CB SER A 72 6.275 2.123 -31.819 1.00 0.00 C ATOM 1016 OG SER A 72 5.694 3.065 -32.712 1.00 0.00 O ATOM 0 H SER A 72 4.382 1.277 -30.455 1.00 0.00 H new ATOM 0 HA SER A 72 7.003 2.622 -29.827 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.340 2.020 -32.026 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.825 1.141 -31.967 1.00 0.00 H new ATOM 0 HG SER A 72 5.832 2.768 -33.636 1.00 0.00 H new ATOM 1022 N SER A 73 4.280 4.125 -29.786 1.00 0.00 N ATOM 1023 CA SER A 73 3.625 5.463 -29.711 1.00 0.00 C ATOM 1024 C SER A 73 4.307 6.337 -28.657 1.00 0.00 C ATOM 1025 O SER A 73 5.029 7.260 -28.978 1.00 0.00 O ATOM 1026 CB SER A 73 2.178 5.173 -29.313 1.00 0.00 C ATOM 1027 OG SER A 73 1.619 6.329 -28.701 1.00 0.00 O ATOM 0 H SER A 73 3.740 3.358 -29.386 1.00 0.00 H new ATOM 0 HA SER A 73 3.690 6.004 -30.655 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.596 4.895 -30.191 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.140 4.329 -28.625 1.00 0.00 H new ATOM 0 HG SER A 73 0.690 6.147 -28.446 1.00 0.00 H new ATOM 1033 N GLY A 74 4.083 6.061 -27.402 1.00 0.00 N ATOM 1034 CA GLY A 74 4.722 6.889 -26.341 1.00 0.00 C ATOM 1035 C GLY A 74 4.508 6.259 -24.964 1.00 0.00 C ATOM 1036 O GLY A 74 3.484 6.442 -24.336 1.00 0.00 O ATOM 0 H GLY A 74 3.489 5.303 -27.067 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.789 6.985 -26.541 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.303 7.895 -26.356 1.00 0.00 H new ATOM 1040 N PHE A 75 5.479 5.531 -24.483 1.00 0.00 N ATOM 1041 CA PHE A 75 5.349 4.903 -23.137 1.00 0.00 C ATOM 1042 C PHE A 75 5.984 5.826 -22.086 1.00 0.00 C ATOM 1043 O PHE A 75 6.966 6.493 -22.346 1.00 0.00 O ATOM 1044 CB PHE A 75 6.097 3.561 -23.259 1.00 0.00 C ATOM 1045 CG PHE A 75 6.870 3.250 -21.993 1.00 0.00 C ATOM 1046 CD1 PHE A 75 8.036 3.966 -21.692 1.00 0.00 C ATOM 1047 CD2 PHE A 75 6.421 2.248 -21.124 1.00 0.00 C ATOM 1048 CE1 PHE A 75 8.751 3.680 -20.523 1.00 0.00 C ATOM 1049 CE2 PHE A 75 7.137 1.962 -19.954 1.00 0.00 C ATOM 1050 CZ PHE A 75 8.302 2.679 -19.654 1.00 0.00 C ATOM 0 H PHE A 75 6.358 5.344 -24.965 1.00 0.00 H new ATOM 0 HA PHE A 75 4.317 4.745 -22.825 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.384 2.761 -23.459 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.781 3.598 -24.107 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.383 4.739 -22.362 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.522 1.695 -21.356 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.650 4.232 -20.292 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.791 1.189 -19.284 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.854 2.459 -18.752 1.00 0.00 H new ATOM 1060 N LYS A 76 5.430 5.872 -20.906 1.00 0.00 N ATOM 1061 CA LYS A 76 6.001 6.754 -19.846 1.00 0.00 C ATOM 1062 C LYS A 76 6.139 5.981 -18.531 1.00 0.00 C ATOM 1063 O LYS A 76 5.514 4.959 -18.332 1.00 0.00 O ATOM 1064 CB LYS A 76 4.993 7.896 -19.695 1.00 0.00 C ATOM 1065 CG LYS A 76 5.512 8.905 -18.669 1.00 0.00 C ATOM 1066 CD LYS A 76 4.577 10.116 -18.625 1.00 0.00 C ATOM 1067 CE LYS A 76 5.235 11.295 -19.345 1.00 0.00 C ATOM 1068 NZ LYS A 76 4.178 11.830 -20.249 1.00 0.00 N ATOM 0 H LYS A 76 4.607 5.338 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 76 6.995 7.119 -20.104 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.837 8.386 -20.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.027 7.503 -19.377 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.570 8.441 -17.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.521 9.221 -18.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.626 9.872 -19.098 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.359 10.383 -17.591 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.570 12.053 -18.637 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.112 10.975 -19.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.553 12.643 -20.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.883 11.088 -20.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.359 12.133 -19.684 1.00 0.00 H new ATOM 1082 N ARG A 77 6.956 6.461 -17.632 1.00 0.00 N ATOM 1083 CA ARG A 77 7.136 5.751 -16.331 1.00 0.00 C ATOM 1084 C ARG A 77 5.779 5.493 -15.672 1.00 0.00 C ATOM 1085 O ARG A 77 5.578 4.492 -15.013 1.00 0.00 O ATOM 1086 CB ARG A 77 7.978 6.700 -15.477 1.00 0.00 C ATOM 1087 CG ARG A 77 9.461 6.384 -15.678 1.00 0.00 C ATOM 1088 CD ARG A 77 10.293 7.167 -14.660 1.00 0.00 C ATOM 1089 NE ARG A 77 10.401 6.268 -13.478 1.00 0.00 N ATOM 1090 CZ ARG A 77 10.527 6.775 -12.281 1.00 0.00 C ATOM 1091 NH1 ARG A 77 11.374 7.744 -12.068 1.00 0.00 N ATOM 1092 NH2 ARG A 77 9.806 6.312 -11.297 1.00 0.00 N ATOM 0 H ARG A 77 7.506 7.313 -17.741 1.00 0.00 H new ATOM 0 HA ARG A 77 7.614 4.779 -16.454 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.774 7.734 -15.755 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.712 6.594 -14.425 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.635 5.314 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.765 6.647 -16.691 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.277 7.413 -15.060 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.811 8.109 -14.397 1.00 0.00 H new ATOM 0 HE ARG A 77 10.377 5.256 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.938 8.106 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.472 8.139 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.144 5.554 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.905 6.708 -10.362 1.00 0.00 H new ATOM 1106 N SER A 78 4.848 6.387 -15.847 1.00 0.00 N ATOM 1107 CA SER A 78 3.504 6.192 -15.231 1.00 0.00 C ATOM 1108 C SER A 78 2.407 6.679 -16.181 1.00 0.00 C ATOM 1109 O SER A 78 2.666 7.373 -17.143 1.00 0.00 O ATOM 1110 CB SER A 78 3.524 7.037 -13.958 1.00 0.00 C ATOM 1111 OG SER A 78 3.774 6.196 -12.840 1.00 0.00 O ATOM 0 H SER A 78 4.958 7.244 -16.389 1.00 0.00 H new ATOM 0 HA SER A 78 3.297 5.143 -15.021 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.294 7.805 -14.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.571 7.552 -13.835 1.00 0.00 H new ATOM 0 HG SER A 78 3.789 6.735 -12.022 1.00 0.00 H new ATOM 1117 N TYR A 79 1.183 6.317 -15.915 1.00 0.00 N ATOM 1118 CA TYR A 79 0.064 6.754 -16.797 1.00 0.00 C ATOM 1119 C TYR A 79 -1.141 7.170 -15.946 1.00 0.00 C ATOM 1120 O TYR A 79 -0.999 7.817 -14.927 1.00 0.00 O ATOM 1121 CB TYR A 79 -0.278 5.523 -17.635 1.00 0.00 C ATOM 1122 CG TYR A 79 0.980 4.939 -18.229 1.00 0.00 C ATOM 1123 CD1 TYR A 79 1.799 4.103 -17.460 1.00 0.00 C ATOM 1124 CD2 TYR A 79 1.328 5.232 -19.553 1.00 0.00 C ATOM 1125 CE1 TYR A 79 2.963 3.562 -18.016 1.00 0.00 C ATOM 1126 CE2 TYR A 79 2.491 4.690 -20.108 1.00 0.00 C ATOM 1127 CZ TYR A 79 3.309 3.855 -19.339 1.00 0.00 C ATOM 1128 OH TYR A 79 4.456 3.321 -19.886 1.00 0.00 O ATOM 0 H TYR A 79 0.908 5.736 -15.123 1.00 0.00 H new ATOM 0 HA TYR A 79 0.332 7.610 -17.416 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.778 4.778 -17.015 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.973 5.795 -18.429 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.532 3.876 -16.438 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.697 5.877 -20.146 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.595 2.917 -17.423 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.758 4.916 -21.130 1.00 0.00 H new ATOM 0 HH TYR A 79 5.210 3.473 -19.278 1.00 0.00 H new ATOM 1138 N SER A 80 -2.325 6.801 -16.355 1.00 0.00 N ATOM 1139 CA SER A 80 -3.537 7.170 -15.570 1.00 0.00 C ATOM 1140 C SER A 80 -4.759 6.414 -16.120 1.00 0.00 C ATOM 1141 O SER A 80 -4.706 5.223 -16.351 1.00 0.00 O ATOM 1142 CB SER A 80 -3.692 8.676 -15.778 1.00 0.00 C ATOM 1143 OG SER A 80 -4.309 8.914 -17.036 1.00 0.00 O ATOM 0 H SER A 80 -2.505 6.259 -17.200 1.00 0.00 H new ATOM 0 HA SER A 80 -3.452 6.915 -14.514 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.294 9.105 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.717 9.162 -15.740 1.00 0.00 H new ATOM 0 HG SER A 80 -3.688 8.676 -17.755 1.00 0.00 H new ATOM 1149 N TYR A 81 -5.855 7.097 -16.344 1.00 0.00 N ATOM 1150 CA TYR A 81 -7.067 6.419 -16.893 1.00 0.00 C ATOM 1151 C TYR A 81 -7.188 6.724 -18.401 1.00 0.00 C ATOM 1152 O TYR A 81 -8.261 6.902 -18.941 1.00 0.00 O ATOM 1153 CB TYR A 81 -8.227 7.002 -16.075 1.00 0.00 C ATOM 1154 CG TYR A 81 -9.544 6.833 -16.792 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -9.850 5.625 -17.431 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -10.462 7.889 -16.812 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -11.074 5.476 -18.093 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -11.685 7.740 -17.473 1.00 0.00 C ATOM 1159 CZ TYR A 81 -11.992 6.534 -18.114 1.00 0.00 C ATOM 1160 OH TYR A 81 -13.198 6.388 -18.767 1.00 0.00 O ATOM 0 H TYR A 81 -5.961 8.096 -16.170 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.043 5.332 -16.812 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -8.274 6.509 -15.104 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.046 8.060 -15.887 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.142 4.809 -17.413 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.226 8.819 -16.317 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.311 4.546 -18.588 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.393 8.555 -17.489 1.00 0.00 H new ATOM 0 HH TYR A 81 -13.717 7.215 -18.684 1.00 0.00 H new ATOM 1170 N ASN A 82 -6.077 6.762 -19.092 1.00 0.00 N ATOM 1171 CA ASN A 82 -6.115 7.024 -20.562 1.00 0.00 C ATOM 1172 C ASN A 82 -4.741 6.761 -21.190 1.00 0.00 C ATOM 1173 O ASN A 82 -4.281 5.638 -21.223 1.00 0.00 O ATOM 1174 CB ASN A 82 -6.527 8.489 -20.705 1.00 0.00 C ATOM 1175 CG ASN A 82 -5.765 9.342 -19.689 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -4.571 9.193 -19.526 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -6.412 10.237 -18.996 1.00 0.00 N ATOM 0 H ASN A 82 -5.145 6.623 -18.701 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.815 6.367 -21.079 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.318 8.838 -21.716 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.601 8.592 -20.548 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.915 10.813 -18.316 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.415 10.361 -19.134 1.00 0.00 H new ATOM 1184 N ASP A 83 -4.083 7.769 -21.701 1.00 0.00 N ATOM 1185 CA ASP A 83 -2.755 7.530 -22.333 1.00 0.00 C ATOM 1186 C ASP A 83 -2.835 6.295 -23.229 1.00 0.00 C ATOM 1187 O ASP A 83 -2.398 5.221 -22.866 1.00 0.00 O ATOM 1188 CB ASP A 83 -1.792 7.293 -21.169 1.00 0.00 C ATOM 1189 CG ASP A 83 -1.633 8.585 -20.366 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -1.694 9.644 -20.967 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -1.453 8.492 -19.162 1.00 0.00 O ATOM 0 H ASP A 83 -4.405 8.737 -21.708 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.429 8.364 -22.955 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.170 6.498 -20.527 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.823 6.965 -21.546 1.00 0.00 H new ATOM 1196 N ASN A 84 -3.412 6.434 -24.391 1.00 0.00 N ATOM 1197 CA ASN A 84 -3.543 5.262 -25.299 1.00 0.00 C ATOM 1198 C ASN A 84 -2.197 4.924 -25.956 1.00 0.00 C ATOM 1199 O ASN A 84 -1.682 5.680 -26.754 1.00 0.00 O ATOM 1200 CB ASN A 84 -4.567 5.691 -26.355 1.00 0.00 C ATOM 1201 CG ASN A 84 -3.942 6.721 -27.299 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -3.825 7.881 -26.959 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -3.533 6.342 -28.480 1.00 0.00 N ATOM 0 H ASN A 84 -3.798 7.308 -24.750 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.856 4.366 -24.763 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.903 4.823 -26.922 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.446 6.116 -25.870 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.115 7.020 -29.117 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.631 5.368 -28.765 1.00 0.00 H new ATOM 1210 N VAL A 85 -1.623 3.789 -25.641 1.00 0.00 N ATOM 1211 CA VAL A 85 -0.321 3.432 -26.280 1.00 0.00 C ATOM 1212 C VAL A 85 -0.541 2.417 -27.409 1.00 0.00 C ATOM 1213 O VAL A 85 -1.039 1.331 -27.190 1.00 0.00 O ATOM 1214 CB VAL A 85 0.556 2.814 -25.190 1.00 0.00 C ATOM 1215 CG1 VAL A 85 0.976 3.891 -24.191 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -0.206 1.704 -24.464 1.00 0.00 C ATOM 0 H VAL A 85 -1.993 3.105 -24.980 1.00 0.00 H new ATOM 0 HA VAL A 85 0.151 4.315 -26.712 1.00 0.00 H new ATOM 0 HB VAL A 85 1.445 2.386 -25.654 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.600 3.445 -23.417 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.539 4.668 -24.709 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.089 4.329 -23.734 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.429 1.272 -23.691 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.104 2.119 -24.006 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.487 0.929 -25.177 1.00 0.00 H new ATOM 1226 N ASP A 86 -0.158 2.755 -28.611 1.00 0.00 N ATOM 1227 CA ASP A 86 -0.329 1.798 -29.748 1.00 0.00 C ATOM 1228 C ASP A 86 0.753 0.722 -29.665 1.00 0.00 C ATOM 1229 O ASP A 86 1.926 1.024 -29.579 1.00 0.00 O ATOM 1230 CB ASP A 86 -0.154 2.643 -31.011 1.00 0.00 C ATOM 1231 CG ASP A 86 -0.836 1.947 -32.190 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -1.470 0.929 -31.966 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -0.715 2.446 -33.297 1.00 0.00 O ATOM 0 H ASP A 86 0.265 3.650 -28.857 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.296 1.294 -29.736 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.584 3.633 -30.861 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.906 2.785 -31.222 1.00 0.00 H new ATOM 1238 N PHE A 87 0.378 -0.529 -29.669 1.00 0.00 N ATOM 1239 CA PHE A 87 1.406 -1.604 -29.565 1.00 0.00 C ATOM 1240 C PHE A 87 1.956 -1.982 -30.938 1.00 0.00 C ATOM 1241 O PHE A 87 1.231 -2.299 -31.860 1.00 0.00 O ATOM 1242 CB PHE A 87 0.699 -2.776 -28.891 1.00 0.00 C ATOM 1243 CG PHE A 87 0.731 -2.533 -27.402 1.00 0.00 C ATOM 1244 CD1 PHE A 87 1.962 -2.476 -26.737 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -0.457 -2.333 -26.693 1.00 0.00 C ATOM 1246 CE1 PHE A 87 2.006 -2.223 -25.363 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -0.412 -2.073 -25.318 1.00 0.00 C ATOM 1248 CZ PHE A 87 0.819 -2.018 -24.654 1.00 0.00 C ATOM 0 H PHE A 87 -0.587 -0.851 -29.739 1.00 0.00 H new ATOM 0 HA PHE A 87 2.273 -1.282 -28.988 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.329 -2.857 -29.244 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.195 -3.715 -29.136 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.879 -2.628 -27.287 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.407 -2.379 -27.205 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.956 -2.186 -24.850 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.328 -1.915 -24.769 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.852 -1.817 -23.593 1.00 0.00 H new ATOM 1258 N LYS A 88 3.252 -1.932 -31.062 1.00 0.00 N ATOM 1259 CA LYS A 88 3.920 -2.261 -32.347 1.00 0.00 C ATOM 1260 C LYS A 88 4.565 -3.646 -32.277 1.00 0.00 C ATOM 1261 O LYS A 88 5.540 -3.849 -31.583 1.00 0.00 O ATOM 1262 CB LYS A 88 5.002 -1.194 -32.474 1.00 0.00 C ATOM 1263 CG LYS A 88 5.411 -1.046 -33.941 1.00 0.00 C ATOM 1264 CD LYS A 88 6.916 -1.290 -34.079 1.00 0.00 C ATOM 1265 CE LYS A 88 7.169 -2.370 -35.134 1.00 0.00 C ATOM 1266 NZ LYS A 88 8.313 -3.163 -34.605 1.00 0.00 N ATOM 0 H LYS A 88 3.888 -1.671 -30.309 1.00 0.00 H new ATOM 0 HA LYS A 88 3.227 -2.277 -33.188 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.634 -0.242 -32.091 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.868 -1.467 -31.871 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.859 -1.756 -34.557 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.159 -0.048 -34.301 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.419 -0.366 -34.363 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.333 -1.599 -33.121 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.288 -2.995 -35.278 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.408 -1.929 -36.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.210 -4.156 -34.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.204 -2.782 -34.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.325 -3.105 -33.567 1.00 0.00 H new ATOM 1280 N CYS A 89 4.043 -4.598 -32.997 1.00 0.00 N ATOM 1281 CA CYS A 89 4.653 -5.954 -32.966 1.00 0.00 C ATOM 1282 C CYS A 89 6.114 -5.868 -33.408 1.00 0.00 C ATOM 1283 O CYS A 89 6.433 -5.236 -34.395 1.00 0.00 O ATOM 1284 CB CYS A 89 3.840 -6.781 -33.957 1.00 0.00 C ATOM 1285 SG CYS A 89 3.448 -8.384 -33.218 1.00 0.00 S ATOM 0 H CYS A 89 3.227 -4.497 -33.601 1.00 0.00 H new ATOM 0 HA CYS A 89 4.640 -6.396 -31.970 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.922 -6.255 -34.220 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.403 -6.921 -34.880 1.00 0.00 H new ATOM 1290 N LYS A 90 7.004 -6.489 -32.685 1.00 0.00 N ATOM 1291 CA LYS A 90 8.443 -6.428 -33.071 1.00 0.00 C ATOM 1292 C LYS A 90 8.590 -6.600 -34.587 1.00 0.00 C ATOM 1293 O LYS A 90 8.972 -5.688 -35.292 1.00 0.00 O ATOM 1294 CB LYS A 90 9.108 -7.590 -32.333 1.00 0.00 C ATOM 1295 CG LYS A 90 10.335 -7.076 -31.578 1.00 0.00 C ATOM 1296 CD LYS A 90 11.489 -8.068 -31.742 1.00 0.00 C ATOM 1297 CE LYS A 90 12.820 -7.344 -31.527 1.00 0.00 C ATOM 1298 NZ LYS A 90 13.221 -7.681 -30.132 1.00 0.00 N ATOM 0 H LYS A 90 6.800 -7.034 -31.847 1.00 0.00 H new ATOM 0 HA LYS A 90 8.898 -5.472 -32.812 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.403 -8.044 -31.637 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.401 -8.365 -33.041 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.626 -6.097 -31.959 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.098 -6.949 -30.522 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.386 -8.883 -31.025 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.461 -8.513 -32.737 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.570 -7.676 -32.245 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.709 -6.267 -31.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.126 -7.220 -29.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.491 -7.347 -29.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.326 -8.712 -30.040 1.00 0.00 H new ATOM 1312 N TYR A 91 8.286 -7.765 -35.088 1.00 0.00 N ATOM 1313 CA TYR A 91 8.404 -8.004 -36.558 1.00 0.00 C ATOM 1314 C TYR A 91 7.914 -9.414 -36.910 1.00 0.00 C ATOM 1315 O TYR A 91 8.212 -10.373 -36.227 1.00 0.00 O ATOM 1316 CB TYR A 91 9.896 -7.867 -36.865 1.00 0.00 C ATOM 1317 CG TYR A 91 10.141 -6.587 -37.627 1.00 0.00 C ATOM 1318 CD1 TYR A 91 9.467 -6.347 -38.831 1.00 0.00 C ATOM 1319 CD2 TYR A 91 11.046 -5.640 -37.132 1.00 0.00 C ATOM 1320 CE1 TYR A 91 9.698 -5.160 -39.539 1.00 0.00 C ATOM 1321 CE2 TYR A 91 11.277 -4.455 -37.840 1.00 0.00 C ATOM 1322 CZ TYR A 91 10.603 -4.214 -39.043 1.00 0.00 C ATOM 1323 OH TYR A 91 10.832 -3.044 -39.740 1.00 0.00 O ATOM 0 H TYR A 91 7.960 -8.564 -34.544 1.00 0.00 H new ATOM 0 HA TYR A 91 7.801 -7.304 -37.137 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.470 -7.866 -35.938 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.237 -8.721 -37.450 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.769 -7.077 -39.214 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.566 -5.824 -36.203 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.178 -4.975 -40.467 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.976 -3.726 -37.458 1.00 0.00 H new ATOM 0 HH TYR A 91 11.487 -2.498 -39.257 1.00 0.00 H new ATOM 1333 N GLY A 92 7.164 -9.545 -37.972 1.00 0.00 N ATOM 1334 CA GLY A 92 6.657 -10.890 -38.369 1.00 0.00 C ATOM 1335 C GLY A 92 5.926 -11.528 -37.188 1.00 0.00 C ATOM 1336 O GLY A 92 6.281 -12.595 -36.733 1.00 0.00 O ATOM 0 H GLY A 92 6.881 -8.778 -38.582 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.984 -10.800 -39.221 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.486 -11.525 -38.683 1.00 0.00 H new ATOM 1340 N TYR A 93 4.911 -10.876 -36.688 1.00 0.00 N ATOM 1341 CA TYR A 93 4.152 -11.429 -35.526 1.00 0.00 C ATOM 1342 C TYR A 93 2.790 -10.736 -35.418 1.00 0.00 C ATOM 1343 O TYR A 93 2.609 -9.628 -35.881 1.00 0.00 O ATOM 1344 CB TYR A 93 5.019 -11.100 -34.314 1.00 0.00 C ATOM 1345 CG TYR A 93 6.170 -12.075 -34.229 1.00 0.00 C ATOM 1346 CD1 TYR A 93 5.938 -13.451 -34.356 1.00 0.00 C ATOM 1347 CD2 TYR A 93 7.471 -11.601 -34.025 1.00 0.00 C ATOM 1348 CE1 TYR A 93 7.010 -14.350 -34.280 1.00 0.00 C ATOM 1349 CE2 TYR A 93 8.541 -12.500 -33.948 1.00 0.00 C ATOM 1350 CZ TYR A 93 8.310 -13.874 -34.075 1.00 0.00 C ATOM 1351 OH TYR A 93 9.365 -14.761 -33.998 1.00 0.00 O ATOM 0 H TYR A 93 4.572 -9.979 -37.036 1.00 0.00 H new ATOM 0 HA TYR A 93 3.959 -12.498 -35.616 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.398 -10.081 -34.392 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.421 -11.148 -33.404 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.934 -13.818 -34.512 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.649 -10.540 -33.927 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.833 -15.411 -34.380 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.545 -12.133 -33.791 1.00 0.00 H new ATOM 0 HH TYR A 93 10.199 -14.266 -33.854 1.00 0.00 H new ATOM 1361 N LYS A 94 1.830 -11.379 -34.811 1.00 0.00 N ATOM 1362 CA LYS A 94 0.483 -10.751 -34.681 1.00 0.00 C ATOM 1363 C LYS A 94 0.210 -10.376 -33.223 1.00 0.00 C ATOM 1364 O LYS A 94 0.270 -11.204 -32.336 1.00 0.00 O ATOM 1365 CB LYS A 94 -0.505 -11.819 -35.152 1.00 0.00 C ATOM 1366 CG LYS A 94 -0.878 -11.557 -36.613 1.00 0.00 C ATOM 1367 CD LYS A 94 0.323 -11.864 -37.509 1.00 0.00 C ATOM 1368 CE LYS A 94 0.168 -13.263 -38.110 1.00 0.00 C ATOM 1369 NZ LYS A 94 0.731 -13.156 -39.485 1.00 0.00 N ATOM 0 H LYS A 94 1.919 -12.309 -34.401 1.00 0.00 H new ATOM 0 HA LYS A 94 0.401 -9.835 -35.266 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.062 -12.810 -35.050 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.399 -11.804 -34.528 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.727 -12.178 -36.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.185 -10.519 -36.741 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.396 -11.121 -38.304 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.245 -11.805 -36.931 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.704 -14.007 -37.521 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.878 -13.569 -38.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.660 -14.078 -39.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.197 -12.445 -40.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.730 -12.870 -39.430 1.00 0.00 H new ATOM 1383 N LEU A 95 -0.092 -9.134 -32.972 1.00 0.00 N ATOM 1384 CA LEU A 95 -0.375 -8.703 -31.574 1.00 0.00 C ATOM 1385 C LEU A 95 -1.623 -9.416 -31.048 1.00 0.00 C ATOM 1386 O LEU A 95 -2.725 -8.917 -31.155 1.00 0.00 O ATOM 1387 CB LEU A 95 -0.622 -7.196 -31.669 1.00 0.00 C ATOM 1388 CG LEU A 95 0.713 -6.458 -31.775 1.00 0.00 C ATOM 1389 CD1 LEU A 95 0.598 -5.346 -32.820 1.00 0.00 C ATOM 1390 CD2 LEU A 95 1.068 -5.842 -30.418 1.00 0.00 C ATOM 0 H LEU A 95 -0.155 -8.397 -33.675 1.00 0.00 H new ATOM 0 HA LEU A 95 0.442 -8.942 -30.893 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.241 -6.974 -32.538 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.170 -6.852 -30.792 1.00 0.00 H new ATOM 0 HG LEU A 95 1.492 -7.161 -32.071 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.549 -4.819 -32.897 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.345 -5.780 -33.787 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.182 -4.645 -32.522 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.020 -5.316 -30.495 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.289 -5.140 -30.122 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.149 -6.631 -29.670 1.00 0.00 H new ATOM 1402 N SER A 96 -1.461 -10.580 -30.482 1.00 0.00 N ATOM 1403 CA SER A 96 -2.643 -11.319 -29.952 1.00 0.00 C ATOM 1404 C SER A 96 -3.202 -10.602 -28.722 1.00 0.00 C ATOM 1405 O SER A 96 -2.639 -10.660 -27.647 1.00 0.00 O ATOM 1406 CB SER A 96 -2.116 -12.700 -29.571 1.00 0.00 C ATOM 1407 OG SER A 96 -2.751 -13.128 -28.374 1.00 0.00 O ATOM 0 H SER A 96 -0.564 -11.051 -30.363 1.00 0.00 H new ATOM 0 HA SER A 96 -3.450 -11.381 -30.682 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.310 -13.411 -30.374 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.036 -12.664 -29.431 1.00 0.00 H new ATOM 0 HG SER A 96 -2.550 -12.496 -27.653 1.00 0.00 H new ATOM 1413 N GLY A 97 -4.305 -9.923 -28.874 1.00 0.00 N ATOM 1414 CA GLY A 97 -4.899 -9.200 -27.716 1.00 0.00 C ATOM 1415 C GLY A 97 -5.468 -7.862 -28.186 1.00 0.00 C ATOM 1416 O GLY A 97 -6.652 -7.726 -28.420 1.00 0.00 O ATOM 0 H GLY A 97 -4.820 -9.838 -29.750 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.686 -9.803 -27.263 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.142 -9.036 -26.949 1.00 0.00 H new ATOM 1420 N SER A 98 -4.633 -6.871 -28.325 1.00 0.00 N ATOM 1421 CA SER A 98 -5.127 -5.538 -28.777 1.00 0.00 C ATOM 1422 C SER A 98 -3.950 -4.613 -29.111 1.00 0.00 C ATOM 1423 O SER A 98 -3.076 -4.387 -28.298 1.00 0.00 O ATOM 1424 CB SER A 98 -5.916 -4.996 -27.588 1.00 0.00 C ATOM 1425 OG SER A 98 -7.171 -4.506 -28.041 1.00 0.00 O ATOM 0 H SER A 98 -3.630 -6.925 -28.146 1.00 0.00 H new ATOM 0 HA SER A 98 -5.734 -5.605 -29.680 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.065 -5.782 -26.847 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.357 -4.199 -27.099 1.00 0.00 H new ATOM 0 HG SER A 98 -7.054 -3.612 -28.424 1.00 0.00 H new ATOM 1431 N SER A 99 -3.924 -4.079 -30.303 1.00 0.00 N ATOM 1432 CA SER A 99 -2.805 -3.169 -30.696 1.00 0.00 C ATOM 1433 C SER A 99 -2.871 -1.857 -29.916 1.00 0.00 C ATOM 1434 O SER A 99 -2.066 -1.603 -29.042 1.00 0.00 O ATOM 1435 CB SER A 99 -3.010 -2.919 -32.189 1.00 0.00 C ATOM 1436 OG SER A 99 -4.297 -2.355 -32.400 1.00 0.00 O ATOM 0 H SER A 99 -4.629 -4.233 -31.023 1.00 0.00 H new ATOM 0 HA SER A 99 -1.829 -3.605 -30.481 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.240 -2.246 -32.566 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.915 -3.853 -32.742 1.00 0.00 H new ATOM 0 HG SER A 99 -4.430 -2.192 -33.357 1.00 0.00 H new ATOM 1442 N SER A 100 -3.816 -1.017 -30.226 1.00 0.00 N ATOM 1443 CA SER A 100 -3.919 0.280 -29.500 1.00 0.00 C ATOM 1444 C SER A 100 -4.565 0.072 -28.130 1.00 0.00 C ATOM 1445 O SER A 100 -5.694 -0.361 -28.022 1.00 0.00 O ATOM 1446 CB SER A 100 -4.787 1.171 -30.384 1.00 0.00 C ATOM 1447 OG SER A 100 -6.138 0.732 -30.316 1.00 0.00 O ATOM 0 H SER A 100 -4.520 -1.170 -30.948 1.00 0.00 H new ATOM 0 HA SER A 100 -2.942 0.728 -29.319 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.713 2.208 -30.057 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.433 1.135 -31.414 1.00 0.00 H new ATOM 0 HG SER A 100 -6.289 0.269 -29.466 1.00 0.00 H new ATOM 1453 N SER A 101 -3.847 0.374 -27.084 1.00 0.00 N ATOM 1454 CA SER A 101 -4.405 0.190 -25.715 1.00 0.00 C ATOM 1455 C SER A 101 -4.323 1.488 -24.924 1.00 0.00 C ATOM 1456 O SER A 101 -3.536 2.363 -25.221 1.00 0.00 O ATOM 1457 CB SER A 101 -3.520 -0.874 -25.072 1.00 0.00 C ATOM 1458 OG SER A 101 -3.604 -2.078 -25.823 1.00 0.00 O ATOM 0 H SER A 101 -2.896 0.741 -27.118 1.00 0.00 H new ATOM 0 HA SER A 101 -5.455 -0.101 -25.738 1.00 0.00 H new ATOM 0 HB2 SER A 101 -2.487 -0.528 -25.034 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.835 -1.052 -24.044 1.00 0.00 H new ATOM 0 HG SER A 101 -2.704 -2.440 -25.963 1.00 0.00 H new ATOM 1464 N THR A 102 -5.129 1.615 -23.912 1.00 0.00 N ATOM 1465 CA THR A 102 -5.095 2.852 -23.096 1.00 0.00 C ATOM 1466 C THR A 102 -5.126 2.510 -21.612 1.00 0.00 C ATOM 1467 O THR A 102 -5.794 1.590 -21.182 1.00 0.00 O ATOM 1468 CB THR A 102 -6.339 3.636 -23.502 1.00 0.00 C ATOM 1469 OG1 THR A 102 -6.719 3.268 -24.821 1.00 0.00 O ATOM 1470 CG2 THR A 102 -6.027 5.131 -23.456 1.00 0.00 C ATOM 0 H THR A 102 -5.809 0.915 -23.616 1.00 0.00 H new ATOM 0 HA THR A 102 -4.186 3.429 -23.263 1.00 0.00 H new ATOM 0 HB THR A 102 -7.156 3.413 -22.816 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.519 3.770 -25.083 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.913 5.697 -23.745 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.733 5.410 -22.444 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.213 5.354 -24.145 1.00 0.00 H new ATOM 1478 N CYS A 103 -4.398 3.248 -20.828 1.00 0.00 N ATOM 1479 CA CYS A 103 -4.366 2.981 -19.371 1.00 0.00 C ATOM 1480 C CYS A 103 -5.718 3.300 -18.746 1.00 0.00 C ATOM 1481 O CYS A 103 -6.078 4.440 -18.576 1.00 0.00 O ATOM 1482 CB CYS A 103 -3.293 3.914 -18.835 1.00 0.00 C ATOM 1483 SG CYS A 103 -1.993 2.923 -18.082 1.00 0.00 S ATOM 0 H CYS A 103 -3.820 4.030 -21.138 1.00 0.00 H new ATOM 0 HA CYS A 103 -4.155 1.937 -19.142 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -2.885 4.524 -19.641 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.719 4.599 -18.102 1.00 0.00 H new ATOM 1488 N SER A 104 -6.471 2.301 -18.411 1.00 0.00 N ATOM 1489 CA SER A 104 -7.813 2.553 -17.806 1.00 0.00 C ATOM 1490 C SER A 104 -7.693 2.960 -16.339 1.00 0.00 C ATOM 1491 O SER A 104 -6.608 3.143 -15.824 1.00 0.00 O ATOM 1492 CB SER A 104 -8.561 1.226 -17.940 1.00 0.00 C ATOM 1493 OG SER A 104 -8.736 0.649 -16.652 1.00 0.00 O ATOM 0 H SER A 104 -6.223 1.318 -18.527 1.00 0.00 H new ATOM 0 HA SER A 104 -8.332 3.372 -18.304 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.530 1.388 -18.412 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.003 0.545 -18.583 1.00 0.00 H new ATOM 0 HG SER A 104 -9.551 0.105 -16.645 1.00 0.00 H new ATOM 1499 N PRO A 105 -8.837 3.099 -15.721 1.00 0.00 N ATOM 1500 CA PRO A 105 -8.902 3.501 -14.309 1.00 0.00 C ATOM 1501 C PRO A 105 -8.825 2.279 -13.399 1.00 0.00 C ATOM 1502 O PRO A 105 -9.572 1.332 -13.539 1.00 0.00 O ATOM 1503 CB PRO A 105 -10.251 4.202 -14.211 1.00 0.00 C ATOM 1504 CG PRO A 105 -11.085 3.650 -15.334 1.00 0.00 C ATOM 1505 CD PRO A 105 -10.173 2.895 -16.276 1.00 0.00 C ATOM 0 HA PRO A 105 -8.077 4.142 -13.996 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.721 4.012 -13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.137 5.282 -14.303 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.858 2.989 -14.943 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -11.593 4.457 -15.862 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.430 1.837 -16.316 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.245 3.280 -17.293 1.00 0.00 H new ATOM 1513 N GLY A 106 -7.909 2.295 -12.475 1.00 0.00 N ATOM 1514 CA GLY A 106 -7.749 1.139 -11.557 1.00 0.00 C ATOM 1515 C GLY A 106 -6.355 0.535 -11.762 1.00 0.00 C ATOM 1516 O GLY A 106 -6.004 -0.459 -11.159 1.00 0.00 O ATOM 0 H GLY A 106 -7.260 3.066 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.873 1.459 -10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.517 0.391 -11.754 1.00 0.00 H new ATOM 1520 N ASN A 107 -5.561 1.139 -12.617 1.00 0.00 N ATOM 1521 CA ASN A 107 -4.180 0.632 -12.886 1.00 0.00 C ATOM 1522 C ASN A 107 -4.226 -0.559 -13.842 1.00 0.00 C ATOM 1523 O ASN A 107 -4.600 -1.647 -13.471 1.00 0.00 O ATOM 1524 CB ASN A 107 -3.592 0.263 -11.505 1.00 0.00 C ATOM 1525 CG ASN A 107 -3.462 -1.254 -11.318 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -2.743 -1.908 -12.048 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -4.132 -1.843 -10.365 1.00 0.00 N ATOM 0 H ASN A 107 -5.817 1.973 -13.146 1.00 0.00 H new ATOM 0 HA ASN A 107 -3.552 1.376 -13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.612 0.727 -11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -4.229 0.671 -10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.052 -2.851 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.736 -1.295 -9.752 1.00 0.00 H new ATOM 1534 N THR A 108 -3.846 -0.352 -15.078 1.00 0.00 N ATOM 1535 CA THR A 108 -3.852 -1.473 -16.068 1.00 0.00 C ATOM 1536 C THR A 108 -3.710 -0.952 -17.495 1.00 0.00 C ATOM 1537 O THR A 108 -3.312 0.171 -17.731 1.00 0.00 O ATOM 1538 CB THR A 108 -5.197 -2.185 -15.914 1.00 0.00 C ATOM 1539 OG1 THR A 108 -6.137 -1.333 -15.275 1.00 0.00 O ATOM 1540 CG2 THR A 108 -4.984 -3.447 -15.089 1.00 0.00 C ATOM 0 H THR A 108 -3.531 0.546 -15.445 1.00 0.00 H new ATOM 0 HA THR A 108 -3.013 -2.144 -15.883 1.00 0.00 H new ATOM 0 HB THR A 108 -5.591 -2.446 -16.896 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.138 -1.511 -14.311 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.934 -3.968 -14.969 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.274 -4.099 -15.598 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.591 -3.179 -14.108 1.00 0.00 H new ATOM 1548 N TRP A 109 -4.034 -1.781 -18.446 1.00 0.00 N ATOM 1549 CA TRP A 109 -3.928 -1.381 -19.868 1.00 0.00 C ATOM 1550 C TRP A 109 -5.060 -2.023 -20.668 1.00 0.00 C ATOM 1551 O TRP A 109 -4.928 -3.104 -21.206 1.00 0.00 O ATOM 1552 CB TRP A 109 -2.563 -1.887 -20.296 1.00 0.00 C ATOM 1553 CG TRP A 109 -1.571 -0.820 -19.981 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -0.562 -0.913 -19.081 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -1.502 0.518 -20.540 1.00 0.00 C ATOM 1556 NE1 TRP A 109 0.128 0.286 -19.068 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -0.411 1.199 -19.957 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -2.275 1.194 -21.499 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -0.094 2.510 -20.318 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -1.963 2.510 -21.863 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -0.874 3.170 -21.277 1.00 0.00 C ATOM 0 H TRP A 109 -4.372 -2.731 -18.292 1.00 0.00 H new ATOM 0 HA TRP A 109 -4.019 -0.307 -20.030 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.314 -2.809 -19.771 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -2.555 -2.115 -21.362 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.335 -1.778 -18.476 1.00 0.00 H new ATOM 0 HE1 TRP A 109 0.936 0.474 -18.475 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.116 0.695 -21.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 0.746 3.012 -19.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.566 3.020 -22.600 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -0.637 4.184 -21.564 1.00 0.00 H new ATOM 1572 N LYS A 110 -6.182 -1.357 -20.729 1.00 0.00 N ATOM 1573 CA LYS A 110 -7.348 -1.910 -21.471 1.00 0.00 C ATOM 1574 C LYS A 110 -7.429 -1.286 -22.872 1.00 0.00 C ATOM 1575 O LYS A 110 -7.250 -0.093 -23.019 1.00 0.00 O ATOM 1576 CB LYS A 110 -8.563 -1.510 -20.633 1.00 0.00 C ATOM 1577 CG LYS A 110 -8.284 -1.806 -19.157 1.00 0.00 C ATOM 1578 CD LYS A 110 -7.990 -3.297 -18.983 1.00 0.00 C ATOM 1579 CE LYS A 110 -9.293 -4.090 -19.107 1.00 0.00 C ATOM 1580 NZ LYS A 110 -9.135 -5.238 -18.171 1.00 0.00 N ATOM 0 H LYS A 110 -6.340 -0.448 -20.293 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.282 -2.989 -21.610 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.778 -0.450 -20.768 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.444 -2.059 -20.965 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.437 -1.214 -18.810 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.142 -1.520 -18.549 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.276 -3.629 -19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.533 -3.478 -18.010 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.155 -3.478 -18.840 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.451 -4.433 -20.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.990 -5.829 -18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.311 -5.806 -18.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.993 -4.881 -17.205 1.00 0.00 H new ATOM 1594 N PRO A 111 -7.700 -2.104 -23.864 1.00 0.00 N ATOM 1595 CA PRO A 111 -7.914 -3.563 -23.650 1.00 0.00 C ATOM 1596 C PRO A 111 -6.604 -4.259 -23.262 1.00 0.00 C ATOM 1597 O PRO A 111 -5.530 -3.703 -23.383 1.00 0.00 O ATOM 1598 CB PRO A 111 -8.411 -4.055 -25.006 1.00 0.00 C ATOM 1599 CG PRO A 111 -7.885 -3.060 -25.988 1.00 0.00 C ATOM 1600 CD PRO A 111 -7.836 -1.736 -25.278 1.00 0.00 C ATOM 0 HA PRO A 111 -8.613 -3.774 -22.840 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -8.042 -5.058 -25.223 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.500 -4.102 -25.035 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -6.894 -3.348 -26.338 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.529 -3.005 -26.866 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -6.995 -1.131 -25.617 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.740 -1.153 -25.455 1.00 0.00 H new ATOM 1608 N GLU A 112 -6.697 -5.469 -22.781 1.00 0.00 N ATOM 1609 CA GLU A 112 -5.475 -6.217 -22.359 1.00 0.00 C ATOM 1610 C GLU A 112 -4.310 -5.953 -23.316 1.00 0.00 C ATOM 1611 O GLU A 112 -4.502 -5.654 -24.478 1.00 0.00 O ATOM 1612 CB GLU A 112 -5.879 -7.691 -22.407 1.00 0.00 C ATOM 1613 CG GLU A 112 -5.421 -8.386 -21.124 1.00 0.00 C ATOM 1614 CD GLU A 112 -6.403 -8.068 -19.994 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -6.466 -6.916 -19.599 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -7.073 -8.982 -19.544 1.00 0.00 O ATOM 0 H GLU A 112 -7.574 -5.976 -22.661 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.136 -5.911 -21.369 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.960 -7.780 -22.516 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.431 -8.174 -23.275 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.367 -9.463 -21.281 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.419 -8.052 -20.854 1.00 0.00 H new ATOM 1623 N LEU A 113 -3.102 -6.068 -22.833 1.00 0.00 N ATOM 1624 CA LEU A 113 -1.920 -5.834 -23.711 1.00 0.00 C ATOM 1625 C LEU A 113 -1.877 -6.893 -24.810 1.00 0.00 C ATOM 1626 O LEU A 113 -2.182 -8.045 -24.579 1.00 0.00 O ATOM 1627 CB LEU A 113 -0.697 -5.963 -22.793 1.00 0.00 C ATOM 1628 CG LEU A 113 -0.602 -4.765 -21.829 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -1.162 -3.496 -22.483 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -1.393 -5.069 -20.555 1.00 0.00 C ATOM 0 H LEU A 113 -2.883 -6.314 -21.868 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.954 -4.860 -24.198 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.762 -6.889 -22.222 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.210 -6.023 -23.395 1.00 0.00 H new ATOM 0 HG LEU A 113 0.447 -4.600 -21.585 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.085 -2.663 -21.785 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.592 -3.269 -23.384 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.208 -3.653 -22.746 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.325 -4.221 -19.874 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.438 -5.248 -20.809 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.980 -5.955 -20.073 1.00 0.00 H new ATOM 1642 N PRO A 114 -1.498 -6.457 -25.975 1.00 0.00 N ATOM 1643 CA PRO A 114 -1.409 -7.370 -27.137 1.00 0.00 C ATOM 1644 C PRO A 114 -0.214 -8.314 -26.988 1.00 0.00 C ATOM 1645 O PRO A 114 0.666 -8.097 -26.180 1.00 0.00 O ATOM 1646 CB PRO A 114 -1.215 -6.424 -28.317 1.00 0.00 C ATOM 1647 CG PRO A 114 -0.621 -5.184 -27.734 1.00 0.00 C ATOM 1648 CD PRO A 114 -1.119 -5.082 -26.318 1.00 0.00 C ATOM 0 HA PRO A 114 -2.284 -8.010 -27.249 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.556 -6.861 -29.067 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.163 -6.211 -28.811 1.00 0.00 H new ATOM 0 HG2 PRO A 114 0.468 -5.230 -27.758 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.916 -4.307 -28.311 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -0.346 -4.702 -25.650 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.968 -4.403 -26.242 1.00 0.00 H new ATOM 1656 N LYS A 115 -0.176 -9.358 -27.768 1.00 0.00 N ATOM 1657 CA LYS A 115 0.962 -10.315 -27.679 1.00 0.00 C ATOM 1658 C LYS A 115 1.543 -10.563 -29.069 1.00 0.00 C ATOM 1659 O LYS A 115 0.949 -11.225 -29.892 1.00 0.00 O ATOM 1660 CB LYS A 115 0.364 -11.599 -27.103 1.00 0.00 C ATOM 1661 CG LYS A 115 1.488 -12.581 -26.765 1.00 0.00 C ATOM 1662 CD LYS A 115 1.116 -13.370 -25.507 1.00 0.00 C ATOM 1663 CE LYS A 115 1.467 -12.547 -24.265 1.00 0.00 C ATOM 1664 NZ LYS A 115 0.154 -12.195 -23.655 1.00 0.00 N ATOM 0 H LYS A 115 -0.885 -9.590 -28.464 1.00 0.00 H new ATOM 0 HA LYS A 115 1.774 -9.938 -27.057 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.216 -11.373 -26.209 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.321 -12.048 -27.822 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.653 -13.263 -27.599 1.00 0.00 H new ATOM 0 HG3 LYS A 115 2.421 -12.041 -26.606 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.051 -13.603 -25.513 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.650 -14.320 -25.490 1.00 0.00 H new ATOM 0 HE2 LYS A 115 2.083 -13.120 -23.572 1.00 0.00 H new ATOM 0 HE3 LYS A 115 2.032 -11.653 -24.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.270 -12.071 -22.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.197 -11.310 -24.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.529 -12.958 -23.836 1.00 0.00 H new ATOM 1678 N CYS A 116 2.702 -10.034 -29.336 1.00 0.00 N ATOM 1679 CA CYS A 116 3.321 -10.240 -30.675 1.00 0.00 C ATOM 1680 C CYS A 116 3.558 -11.731 -30.902 1.00 0.00 C ATOM 1681 O CYS A 116 4.637 -12.246 -30.686 1.00 0.00 O ATOM 1682 CB CYS A 116 4.639 -9.465 -30.613 1.00 0.00 C ATOM 1683 SG CYS A 116 5.149 -8.933 -32.270 1.00 0.00 S ATOM 0 H CYS A 116 3.248 -9.468 -28.686 1.00 0.00 H new ATOM 0 HA CYS A 116 2.695 -9.895 -31.498 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.525 -8.596 -29.966 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.414 -10.091 -30.172 1.00 0.00 H new ATOM 1688 N VAL A 117 2.543 -12.424 -31.334 1.00 0.00 N ATOM 1689 CA VAL A 117 2.681 -13.887 -31.579 1.00 0.00 C ATOM 1690 C VAL A 117 2.834 -14.173 -33.049 1.00 0.00 C ATOM 1691 O VAL A 117 3.020 -13.288 -33.860 1.00 0.00 O ATOM 1692 CB VAL A 117 1.392 -14.524 -31.079 1.00 0.00 C ATOM 1693 CG1 VAL A 117 1.450 -14.602 -29.572 1.00 0.00 C ATOM 1694 CG2 VAL A 117 0.182 -13.688 -31.504 1.00 0.00 C ATOM 0 H VAL A 117 1.619 -12.039 -31.529 1.00 0.00 H new ATOM 0 HA VAL A 117 3.562 -14.280 -31.071 1.00 0.00 H new ATOM 0 HB VAL A 117 1.288 -15.521 -31.507 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.533 -15.056 -29.196 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.305 -15.208 -29.272 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.553 -13.598 -29.159 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.731 -14.158 -31.138 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.267 -12.685 -31.085 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.147 -13.625 -32.592 1.00 0.00 H new ATOM 1704 N ARG A 118 2.754 -15.414 -33.396 1.00 0.00 N ATOM 1705 CA ARG A 118 2.894 -15.773 -34.820 1.00 0.00 C ATOM 1706 C ARG A 118 1.529 -16.134 -35.411 1.00 0.00 C ATOM 1707 O ARG A 118 0.575 -15.431 -35.120 1.00 0.00 O ATOM 1708 CB ARG A 118 3.843 -16.979 -34.866 1.00 0.00 C ATOM 1709 CG ARG A 118 4.878 -16.882 -33.739 1.00 0.00 C ATOM 1710 CD ARG A 118 6.085 -17.763 -34.071 1.00 0.00 C ATOM 1711 NE ARG A 118 5.774 -19.087 -33.462 1.00 0.00 N ATOM 1712 CZ ARG A 118 6.053 -19.310 -32.207 1.00 0.00 C ATOM 1713 NH1 ARG A 118 6.131 -18.313 -31.368 1.00 0.00 N ATOM 1714 NH2 ARG A 118 6.256 -20.530 -31.790 1.00 0.00 N ATOM 1715 OXT ARG A 118 1.461 -17.107 -36.143 1.00 0.00 O ATOM 0 H ARG A 118 2.598 -16.194 -32.758 1.00 0.00 H new ATOM 0 HA ARG A 118 3.287 -14.943 -35.406 1.00 0.00 H new ATOM 0 HB2 ARG A 118 3.273 -17.903 -34.768 1.00 0.00 H new ATOM 0 HB3 ARG A 118 4.348 -17.017 -35.831 1.00 0.00 H new ATOM 0 HG2 ARG A 118 5.195 -15.847 -33.611 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.433 -17.198 -32.795 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.228 -17.848 -35.148 1.00 0.00 H new ATOM 0 HD3 ARG A 118 7.004 -17.345 -33.660 1.00 0.00 H new ATOM 0 HE ARG A 118 5.343 -19.819 -34.026 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.974 -17.359 -31.693 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.349 -18.488 -30.387 1.00 0.00 H new ATOM 0 HH21 ARG A 118 6.197 -21.309 -32.445 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.474 -20.704 -30.809 1.00 0.00 H new TER 1729 ARG A 118