USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 37 ASN : amide:sc= -1.08 K(o=-13,f=-15) USER MOD Set 1.2: A 70 ASN : amide:sc= -11.8! C(o=-13!,f=-15!) USER MOD Single : A 1 LEU N :NH3+ 150:sc= 0.0221 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.6!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.16) USER MOD Single : A 8 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.34) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 131:sc= 1.06 USER MOD Single : A 18 ASN : amide:sc= -1.36 K(o=-1.4,f=-3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -69:sc= 0.777 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.838 (180deg=0.817) USER MOD Single : A 44 HIS : no HD1:sc= -2.46! K(o=-2.5!,f=-1.8) USER MOD Single : A 46 ASN : amide:sc= -3.57 X(o=-3.6,f=-3.9!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 THR OG1 : rot -91:sc= -0.153 USER MOD Single : A 52 THR OG1 : rot 101:sc= 1.13 USER MOD Single : A 57 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.078) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.279 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.162) USER MOD Single : A 72 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.071) USER MOD Single : A 74 GLN : amide:sc= -2.62! C(o=-2.6!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.714 -12.225 -8.172 1.00 0.00 N ATOM 2 CA LEU A 1 3.560 -10.759 -8.390 1.00 0.00 C ATOM 3 C LEU A 1 4.224 -9.996 -7.241 1.00 0.00 C ATOM 4 O LEU A 1 4.245 -10.445 -6.113 1.00 0.00 O ATOM 5 CB LEU A 1 2.073 -10.403 -8.442 1.00 0.00 C ATOM 6 CG LEU A 1 1.692 -10.003 -9.868 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.257 -9.472 -9.883 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.643 -8.910 -10.363 1.00 0.00 C ATOM 0 H1 LEU A 1 2.905 -12.725 -8.593 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.594 -12.552 -8.619 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.750 -12.422 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 1 4.035 -10.483 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.473 -11.254 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.860 -9.584 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 1 1.765 -10.873 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.015 -9.187 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.422 -10.248 -9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.184 -8.602 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.372 -8.625 -11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.569 -8.040 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.666 -9.286 -10.352 1.00 0.00 H new ATOM 22 N GLN A 2 4.764 -8.845 -7.524 1.00 0.00 N ATOM 23 CA GLN A 2 5.426 -8.043 -6.457 1.00 0.00 C ATOM 24 C GLN A 2 5.061 -6.572 -6.643 1.00 0.00 C ATOM 25 O GLN A 2 4.779 -6.128 -7.736 1.00 0.00 O ATOM 26 CB GLN A 2 6.943 -8.217 -6.560 1.00 0.00 C ATOM 27 CG GLN A 2 7.296 -9.700 -6.422 1.00 0.00 C ATOM 28 CD GLN A 2 8.667 -9.961 -7.048 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.395 -9.037 -7.353 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.055 -11.191 -7.253 1.00 0.00 N ATOM 0 H GLN A 2 4.776 -8.422 -8.452 1.00 0.00 H new ATOM 0 HA GLN A 2 5.092 -8.381 -5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.300 -7.835 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.440 -7.640 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.305 -9.986 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.539 -10.312 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.445 -11.968 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.968 -11.375 -7.669 1.00 0.00 H new ATOM 39 N CYS A 3 5.055 -5.811 -5.586 1.00 0.00 N ATOM 40 CA CYS A 3 4.697 -4.371 -5.720 1.00 0.00 C ATOM 41 C CYS A 3 5.523 -3.532 -4.742 1.00 0.00 C ATOM 42 O CYS A 3 6.117 -4.044 -3.814 1.00 0.00 O ATOM 43 CB CYS A 3 3.211 -4.189 -5.422 1.00 0.00 C ATOM 44 SG CYS A 3 2.237 -4.719 -6.854 1.00 0.00 S ATOM 0 H CYS A 3 5.281 -6.120 -4.640 1.00 0.00 H new ATOM 0 HA CYS A 3 4.910 -4.042 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.932 -4.771 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.001 -3.144 -5.193 1.00 0.00 H new ATOM 49 N TYR A 4 5.561 -2.243 -4.944 1.00 0.00 N ATOM 50 CA TYR A 4 6.343 -1.365 -4.029 1.00 0.00 C ATOM 51 C TYR A 4 5.449 -0.925 -2.869 1.00 0.00 C ATOM 52 O TYR A 4 5.219 0.251 -2.660 1.00 0.00 O ATOM 53 CB TYR A 4 6.821 -0.128 -4.795 1.00 0.00 C ATOM 54 CG TYR A 4 7.894 -0.520 -5.781 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.120 -1.016 -5.322 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.665 -0.382 -7.157 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.116 -1.373 -6.237 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.663 -0.738 -8.071 1.00 0.00 C ATOM 59 CZ TYR A 4 9.889 -1.235 -7.611 1.00 0.00 C ATOM 60 OH TYR A 4 10.874 -1.584 -8.513 1.00 0.00 O ATOM 0 H TYR A 4 5.083 -1.760 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 4 7.204 -1.912 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.984 0.333 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.209 0.615 -4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 4 9.297 -1.123 -4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.719 -0.001 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.062 -1.756 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.488 -0.630 -9.131 1.00 0.00 H new ATOM 0 HH TYR A 4 10.552 -1.427 -9.425 1.00 0.00 H new ATOM 70 N ASN A 5 4.936 -1.858 -2.115 1.00 0.00 N ATOM 71 CA ASN A 5 4.051 -1.493 -0.974 1.00 0.00 C ATOM 72 C ASN A 5 4.651 -0.309 -0.212 1.00 0.00 C ATOM 73 O ASN A 5 5.854 -0.153 -0.133 1.00 0.00 O ATOM 74 CB ASN A 5 3.917 -2.689 -0.029 1.00 0.00 C ATOM 75 CG ASN A 5 3.010 -2.314 1.144 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.373 -2.492 2.289 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.834 -1.798 0.905 1.00 0.00 N ATOM 0 H ASN A 5 5.092 -2.858 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 5 3.068 -1.216 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.503 -3.544 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.899 -2.988 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.221 -1.545 1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.529 -1.648 -0.057 1.00 0.00 H new ATOM 84 N CYS A 6 3.821 0.527 0.350 1.00 0.00 N ATOM 85 CA CYS A 6 4.340 1.700 1.109 1.00 0.00 C ATOM 86 C CYS A 6 3.242 2.228 2.040 1.00 0.00 C ATOM 87 O CYS A 6 2.082 2.241 1.678 1.00 0.00 O ATOM 88 CB CYS A 6 4.750 2.801 0.128 1.00 0.00 C ATOM 89 SG CYS A 6 6.330 3.515 0.646 1.00 0.00 S ATOM 0 H CYS A 6 2.805 0.448 0.316 1.00 0.00 H new ATOM 0 HA CYS A 6 5.206 1.399 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.837 2.392 -0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.983 3.575 0.093 1.00 0.00 H new ATOM 94 N PRO A 7 3.640 2.647 3.216 1.00 0.00 N ATOM 95 CA PRO A 7 2.709 3.179 4.225 1.00 0.00 C ATOM 96 C PRO A 7 2.340 4.631 3.901 1.00 0.00 C ATOM 97 O PRO A 7 1.440 5.197 4.490 1.00 0.00 O ATOM 98 CB PRO A 7 3.509 3.098 5.527 1.00 0.00 C ATOM 99 CG PRO A 7 5.002 3.071 5.123 1.00 0.00 C ATOM 100 CD PRO A 7 5.053 2.625 3.648 1.00 0.00 C ATOM 0 HA PRO A 7 1.768 2.631 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.296 3.954 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.243 2.204 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.454 4.055 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.562 2.382 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.664 3.300 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.485 1.629 3.547 1.00 0.00 H new ATOM 108 N ASN A 8 3.028 5.236 2.973 1.00 0.00 N ATOM 109 CA ASN A 8 2.716 6.650 2.617 1.00 0.00 C ATOM 110 C ASN A 8 2.679 6.801 1.096 1.00 0.00 C ATOM 111 O ASN A 8 3.251 6.003 0.381 1.00 0.00 O ATOM 112 CB ASN A 8 3.793 7.571 3.192 1.00 0.00 C ATOM 113 CG ASN A 8 4.219 7.062 4.570 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.381 6.792 4.800 1.00 0.00 O ATOM 115 ND2 ASN A 8 3.319 6.920 5.505 1.00 0.00 N ATOM 0 H ASN A 8 3.792 4.814 2.446 1.00 0.00 H new ATOM 0 HA ASN A 8 1.745 6.920 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.653 7.604 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.411 8.589 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.592 6.583 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.343 7.147 5.312 1.00 0.00 H new ATOM 122 N PRO A 9 2.002 7.829 0.647 1.00 0.00 N ATOM 123 CA PRO A 9 1.870 8.122 -0.788 1.00 0.00 C ATOM 124 C PRO A 9 3.153 8.757 -1.315 1.00 0.00 C ATOM 125 O PRO A 9 3.263 9.961 -1.444 1.00 0.00 O ATOM 126 CB PRO A 9 0.698 9.105 -0.850 1.00 0.00 C ATOM 127 CG PRO A 9 0.596 9.749 0.554 1.00 0.00 C ATOM 128 CD PRO A 9 1.312 8.793 1.529 1.00 0.00 C ATOM 0 HA PRO A 9 1.699 7.235 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.867 9.864 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.227 8.591 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.063 10.734 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.446 9.888 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.018 9.327 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.603 8.293 2.189 1.00 0.00 H new ATOM 136 N THR A 10 4.126 7.948 -1.618 1.00 0.00 N ATOM 137 CA THR A 10 5.416 8.487 -2.137 1.00 0.00 C ATOM 138 C THR A 10 5.568 8.123 -3.615 1.00 0.00 C ATOM 139 O THR A 10 4.881 7.260 -4.127 1.00 0.00 O ATOM 140 CB THR A 10 6.577 7.886 -1.339 1.00 0.00 C ATOM 141 OG1 THR A 10 7.766 8.610 -1.619 1.00 0.00 O ATOM 142 CG2 THR A 10 6.764 6.419 -1.731 1.00 0.00 C ATOM 0 H THR A 10 4.086 6.933 -1.529 1.00 0.00 H new ATOM 0 HA THR A 10 5.424 9.572 -2.031 1.00 0.00 H new ATOM 0 HB THR A 10 6.357 7.948 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.510 8.228 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.591 5.993 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.851 5.865 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.984 6.352 -2.796 1.00 0.00 H new ATOM 150 N ALA A 11 6.465 8.773 -4.307 1.00 0.00 N ATOM 151 CA ALA A 11 6.661 8.463 -5.752 1.00 0.00 C ATOM 152 C ALA A 11 8.021 7.787 -5.947 1.00 0.00 C ATOM 153 O ALA A 11 8.715 8.036 -6.913 1.00 0.00 O ATOM 154 CB ALA A 11 6.614 9.759 -6.563 1.00 0.00 C ATOM 0 H ALA A 11 7.070 9.505 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 11 5.870 7.794 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.757 9.532 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.646 10.241 -6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.405 10.429 -6.225 1.00 0.00 H new ATOM 160 N ASP A 12 8.409 6.935 -5.037 1.00 0.00 N ATOM 161 CA ASP A 12 9.724 6.246 -5.173 1.00 0.00 C ATOM 162 C ASP A 12 9.900 5.245 -4.028 1.00 0.00 C ATOM 163 O ASP A 12 10.963 5.131 -3.451 1.00 0.00 O ATOM 164 CB ASP A 12 10.851 7.280 -5.120 1.00 0.00 C ATOM 165 CG ASP A 12 11.357 7.557 -6.537 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.573 6.604 -7.266 1.00 0.00 O ATOM 167 OD2 ASP A 12 11.518 8.720 -6.869 1.00 0.00 O ATOM 0 H ASP A 12 7.873 6.686 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 12 9.758 5.718 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.491 8.202 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.666 6.913 -4.497 1.00 0.00 H new ATOM 172 N CYS A 13 8.869 4.518 -3.696 1.00 0.00 N ATOM 173 CA CYS A 13 8.986 3.526 -2.589 1.00 0.00 C ATOM 174 C CYS A 13 9.687 2.269 -3.107 1.00 0.00 C ATOM 175 O CYS A 13 9.577 1.918 -4.265 1.00 0.00 O ATOM 176 CB CYS A 13 7.589 3.159 -2.083 1.00 0.00 C ATOM 177 SG CYS A 13 7.713 2.485 -0.408 1.00 0.00 S ATOM 0 H CYS A 13 7.953 4.567 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 13 9.566 3.957 -1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.946 4.039 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.130 2.427 -2.748 1.00 0.00 H new ATOM 182 N LYS A 14 10.410 1.587 -2.260 1.00 0.00 N ATOM 183 CA LYS A 14 11.116 0.356 -2.711 1.00 0.00 C ATOM 184 C LYS A 14 10.967 -0.737 -1.651 1.00 0.00 C ATOM 185 O LYS A 14 11.918 -1.407 -1.299 1.00 0.00 O ATOM 186 CB LYS A 14 12.600 0.666 -2.918 1.00 0.00 C ATOM 187 CG LYS A 14 13.066 1.662 -1.855 1.00 0.00 C ATOM 188 CD LYS A 14 14.490 2.121 -2.173 1.00 0.00 C ATOM 189 CE LYS A 14 14.446 3.487 -2.861 1.00 0.00 C ATOM 190 NZ LYS A 14 15.547 4.343 -2.338 1.00 0.00 N ATOM 0 H LYS A 14 10.541 1.829 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 14 10.681 0.012 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.186 -0.251 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.761 1.079 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.394 2.520 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.034 1.199 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.076 2.183 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.982 1.393 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.546 3.366 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.483 3.965 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.517 5.271 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.432 4.468 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.462 3.888 -2.531 1.00 0.00 H new ATOM 204 N THR A 15 9.781 -0.923 -1.140 1.00 0.00 N ATOM 205 CA THR A 15 9.571 -1.975 -0.105 1.00 0.00 C ATOM 206 C THR A 15 9.635 -3.354 -0.764 1.00 0.00 C ATOM 207 O THR A 15 9.986 -4.336 -0.139 1.00 0.00 O ATOM 208 CB THR A 15 8.200 -1.782 0.547 1.00 0.00 C ATOM 209 OG1 THR A 15 8.157 -0.514 1.184 1.00 0.00 O ATOM 210 CG2 THR A 15 7.962 -2.883 1.581 1.00 0.00 C ATOM 0 H THR A 15 8.948 -0.392 -1.394 1.00 0.00 H new ATOM 0 HA THR A 15 10.348 -1.899 0.656 1.00 0.00 H new ATOM 0 HB THR A 15 7.424 -1.833 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.341 -0.041 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.985 -2.743 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.995 -3.856 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.736 -2.836 2.347 1.00 0.00 H new ATOM 218 N ALA A 16 9.302 -3.431 -2.024 1.00 0.00 N ATOM 219 CA ALA A 16 9.343 -4.738 -2.737 1.00 0.00 C ATOM 220 C ALA A 16 8.795 -5.844 -1.833 1.00 0.00 C ATOM 221 O ALA A 16 9.515 -6.438 -1.057 1.00 0.00 O ATOM 222 CB ALA A 16 10.788 -5.060 -3.117 1.00 0.00 C ATOM 0 H ALA A 16 9.002 -2.639 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 16 8.730 -4.677 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.822 -6.016 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.176 -4.277 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.397 -5.117 -2.215 1.00 0.00 H new ATOM 228 N VAL A 17 7.525 -6.128 -1.932 1.00 0.00 N ATOM 229 CA VAL A 17 6.932 -7.199 -1.083 1.00 0.00 C ATOM 230 C VAL A 17 6.022 -8.078 -1.946 1.00 0.00 C ATOM 231 O VAL A 17 5.369 -7.605 -2.855 1.00 0.00 O ATOM 232 CB VAL A 17 6.118 -6.561 0.048 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.172 -7.598 0.660 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.071 -6.050 1.130 1.00 0.00 C ATOM 0 H VAL A 17 6.873 -5.664 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 17 7.725 -7.811 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 17 5.534 -5.733 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.597 -7.137 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.492 -7.968 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.753 -8.429 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.496 -5.595 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.654 -6.883 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.744 -5.307 0.701 1.00 0.00 H new ATOM 244 N ASN A 18 5.976 -9.353 -1.669 1.00 0.00 N ATOM 245 CA ASN A 18 5.108 -10.258 -2.474 1.00 0.00 C ATOM 246 C ASN A 18 3.652 -10.085 -2.041 1.00 0.00 C ATOM 247 O ASN A 18 3.213 -10.655 -1.061 1.00 0.00 O ATOM 248 CB ASN A 18 5.537 -11.710 -2.254 1.00 0.00 C ATOM 249 CG ASN A 18 6.545 -12.112 -3.330 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.386 -11.794 -4.492 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.583 -12.808 -2.955 1.00 0.00 N ATOM 0 H ASN A 18 6.501 -9.806 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 18 5.206 -10.008 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.980 -11.824 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.668 -12.367 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.280 -13.095 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.698 -13.065 -1.975 1.00 0.00 H new ATOM 257 N CYS A 19 2.899 -9.303 -2.762 1.00 0.00 N ATOM 258 CA CYS A 19 1.473 -9.093 -2.392 1.00 0.00 C ATOM 259 C CYS A 19 0.808 -10.447 -2.136 1.00 0.00 C ATOM 260 O CYS A 19 0.454 -11.160 -3.054 1.00 0.00 O ATOM 261 CB CYS A 19 0.752 -8.378 -3.536 1.00 0.00 C ATOM 262 SG CYS A 19 1.668 -6.883 -3.983 1.00 0.00 S ATOM 0 H CYS A 19 3.210 -8.800 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 19 1.416 -8.485 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.670 -9.039 -4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.263 -8.119 -3.235 1.00 0.00 H new ATOM 267 N SER A 20 0.639 -10.807 -0.894 1.00 0.00 N ATOM 268 CA SER A 20 -0.001 -12.114 -0.577 1.00 0.00 C ATOM 269 C SER A 20 -1.271 -11.876 0.243 1.00 0.00 C ATOM 270 O SER A 20 -1.289 -12.060 1.444 1.00 0.00 O ATOM 271 CB SER A 20 0.974 -12.973 0.229 1.00 0.00 C ATOM 272 OG SER A 20 1.235 -14.175 -0.482 1.00 0.00 O ATOM 0 H SER A 20 0.917 -10.252 -0.084 1.00 0.00 H new ATOM 0 HA SER A 20 -0.260 -12.627 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.903 -12.428 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.553 -13.200 1.209 1.00 0.00 H new ATOM 0 HG SER A 20 1.861 -14.729 0.030 1.00 0.00 H new ATOM 278 N SER A 21 -2.333 -11.467 -0.396 1.00 0.00 N ATOM 279 CA SER A 21 -3.601 -11.218 0.348 1.00 0.00 C ATOM 280 C SER A 21 -4.625 -10.569 -0.586 1.00 0.00 C ATOM 281 O SER A 21 -4.861 -9.378 -0.533 1.00 0.00 O ATOM 282 CB SER A 21 -3.326 -10.285 1.526 1.00 0.00 C ATOM 283 OG SER A 21 -4.552 -9.727 1.978 1.00 0.00 O ATOM 0 H SER A 21 -2.378 -11.295 -1.400 1.00 0.00 H new ATOM 0 HA SER A 21 -3.995 -12.165 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.843 -10.834 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.641 -9.492 1.225 1.00 0.00 H new ATOM 0 HG SER A 21 -4.896 -9.104 1.304 1.00 0.00 H new ATOM 289 N ASP A 22 -5.238 -11.343 -1.440 1.00 0.00 N ATOM 290 CA ASP A 22 -6.247 -10.769 -2.373 1.00 0.00 C ATOM 291 C ASP A 22 -5.565 -9.772 -3.314 1.00 0.00 C ATOM 292 O ASP A 22 -5.997 -8.646 -3.460 1.00 0.00 O ATOM 293 CB ASP A 22 -7.334 -10.051 -1.568 1.00 0.00 C ATOM 294 CG ASP A 22 -8.672 -10.772 -1.750 1.00 0.00 C ATOM 295 OD1 ASP A 22 -8.679 -11.824 -2.369 1.00 0.00 O ATOM 296 OD2 ASP A 22 -9.668 -10.260 -1.266 1.00 0.00 O ATOM 0 H ASP A 22 -5.083 -12.347 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.697 -11.570 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.063 -10.028 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.420 -9.016 -1.898 1.00 0.00 H new ATOM 301 N PHE A 23 -4.501 -10.177 -3.954 1.00 0.00 N ATOM 302 CA PHE A 23 -3.795 -9.249 -4.883 1.00 0.00 C ATOM 303 C PHE A 23 -3.398 -10.001 -6.155 1.00 0.00 C ATOM 304 O PHE A 23 -2.885 -11.102 -6.103 1.00 0.00 O ATOM 305 CB PHE A 23 -2.541 -8.704 -4.197 1.00 0.00 C ATOM 306 CG PHE A 23 -2.942 -7.961 -2.946 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.020 -7.069 -2.978 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.237 -8.165 -1.753 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.394 -6.381 -1.819 1.00 0.00 C ATOM 310 CE2 PHE A 23 -2.612 -7.477 -0.594 1.00 0.00 C ATOM 311 CZ PHE A 23 -3.691 -6.584 -0.626 1.00 0.00 C ATOM 0 H PHE A 23 -4.091 -11.108 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.456 -8.423 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.864 -9.521 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.003 -8.039 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.563 -6.912 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.405 -8.853 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.226 -5.693 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.069 -7.634 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.980 -6.053 0.269 1.00 0.00 H new ATOM 321 N ASP A 24 -3.634 -9.417 -7.298 1.00 0.00 N ATOM 322 CA ASP A 24 -3.271 -10.098 -8.574 1.00 0.00 C ATOM 323 C ASP A 24 -2.890 -9.053 -9.624 1.00 0.00 C ATOM 324 O ASP A 24 -2.826 -9.339 -10.803 1.00 0.00 O ATOM 325 CB ASP A 24 -4.469 -10.910 -9.073 1.00 0.00 C ATOM 326 CG ASP A 24 -4.083 -11.660 -10.349 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.989 -12.196 -10.391 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.890 -11.685 -11.265 1.00 0.00 O ATOM 0 H ASP A 24 -4.063 -8.497 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.424 -10.762 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.788 -11.616 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.313 -10.249 -9.269 1.00 0.00 H new ATOM 333 N ALA A 25 -2.636 -7.840 -9.208 1.00 0.00 N ATOM 334 CA ALA A 25 -2.258 -6.781 -10.187 1.00 0.00 C ATOM 335 C ALA A 25 -1.650 -5.591 -9.443 1.00 0.00 C ATOM 336 O ALA A 25 -2.212 -5.089 -8.493 1.00 0.00 O ATOM 337 CB ALA A 25 -3.506 -6.317 -10.945 1.00 0.00 C ATOM 0 H ALA A 25 -2.674 -7.538 -8.234 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.530 -7.183 -10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.230 -5.543 -11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.945 -7.162 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.233 -5.916 -10.239 1.00 0.00 H new ATOM 343 N CYS A 26 -0.511 -5.123 -9.873 1.00 0.00 N ATOM 344 CA CYS A 26 0.109 -3.956 -9.184 1.00 0.00 C ATOM 345 C CYS A 26 -0.696 -2.706 -9.531 1.00 0.00 C ATOM 346 O CYS A 26 -1.270 -2.609 -10.596 1.00 0.00 O ATOM 347 CB CYS A 26 1.556 -3.789 -9.653 1.00 0.00 C ATOM 348 SG CYS A 26 2.592 -3.301 -8.250 1.00 0.00 S ATOM 0 H CYS A 26 0.014 -5.494 -10.665 1.00 0.00 H new ATOM 0 HA CYS A 26 0.106 -4.113 -8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.921 -4.723 -10.081 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.610 -3.035 -10.439 1.00 0.00 H new ATOM 353 N LEU A 27 -0.764 -1.756 -8.641 1.00 0.00 N ATOM 354 CA LEU A 27 -1.559 -0.532 -8.937 1.00 0.00 C ATOM 355 C LEU A 27 -0.689 0.717 -8.803 1.00 0.00 C ATOM 356 O LEU A 27 -0.090 0.970 -7.777 1.00 0.00 O ATOM 357 CB LEU A 27 -2.737 -0.455 -7.961 1.00 0.00 C ATOM 358 CG LEU A 27 -3.422 0.914 -8.051 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.607 0.828 -9.014 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.926 1.316 -6.662 1.00 0.00 C ATOM 0 H LEU A 27 -0.308 -1.773 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.929 -0.583 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.456 -1.243 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.385 -0.626 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.711 1.656 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.095 1.801 -9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.252 0.533 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.320 0.088 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.414 2.289 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.639 0.573 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.084 1.373 -5.972 1.00 0.00 H new ATOM 372 N ILE A 28 -0.645 1.510 -9.836 1.00 0.00 N ATOM 373 CA ILE A 28 0.149 2.766 -9.793 1.00 0.00 C ATOM 374 C ILE A 28 -0.811 3.933 -10.026 1.00 0.00 C ATOM 375 O ILE A 28 -1.097 4.301 -11.149 1.00 0.00 O ATOM 376 CB ILE A 28 1.219 2.734 -10.889 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.737 4.153 -11.151 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.613 2.169 -12.172 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.035 4.846 -9.821 1.00 0.00 C ATOM 0 H ILE A 28 -1.131 1.339 -10.717 1.00 0.00 H new ATOM 0 HA ILE A 28 0.647 2.876 -8.830 1.00 0.00 H new ATOM 0 HB ILE A 28 2.047 2.103 -10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.639 4.114 -11.762 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.996 4.723 -11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.373 2.145 -12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.250 1.158 -11.988 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.216 2.800 -12.491 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.403 5.854 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.123 4.898 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.791 4.280 -9.277 1.00 0.00 H new ATOM 391 N THR A 29 -1.334 4.497 -8.973 1.00 0.00 N ATOM 392 CA THR A 29 -2.297 5.621 -9.128 1.00 0.00 C ATOM 393 C THR A 29 -1.584 6.958 -8.915 1.00 0.00 C ATOM 394 O THR A 29 -0.783 7.113 -8.016 1.00 0.00 O ATOM 395 CB THR A 29 -3.419 5.465 -8.094 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.301 4.432 -8.510 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.196 6.777 -7.963 1.00 0.00 C ATOM 0 H THR A 29 -1.135 4.227 -8.010 1.00 0.00 H new ATOM 0 HA THR A 29 -2.715 5.603 -10.134 1.00 0.00 H new ATOM 0 HB THR A 29 -2.984 5.211 -7.128 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.018 4.329 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.991 6.657 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.520 7.570 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.631 7.040 -8.927 1.00 0.00 H new ATOM 405 N LYS A 30 -1.885 7.927 -9.734 1.00 0.00 N ATOM 406 CA LYS A 30 -1.245 9.262 -9.582 1.00 0.00 C ATOM 407 C LYS A 30 -2.339 10.330 -9.535 1.00 0.00 C ATOM 408 O LYS A 30 -2.768 10.839 -10.551 1.00 0.00 O ATOM 409 CB LYS A 30 -0.319 9.528 -10.771 1.00 0.00 C ATOM 410 CG LYS A 30 0.088 11.003 -10.778 1.00 0.00 C ATOM 411 CD LYS A 30 1.012 11.273 -11.966 1.00 0.00 C ATOM 412 CE LYS A 30 0.255 12.069 -13.031 1.00 0.00 C ATOM 413 NZ LYS A 30 1.203 12.966 -13.750 1.00 0.00 N ATOM 0 H LYS A 30 -2.549 7.851 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.660 9.289 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.566 8.895 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.824 9.274 -11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.798 11.635 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.593 11.256 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.891 11.828 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.368 10.332 -12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.224 11.389 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.537 12.657 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.688 13.507 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.641 13.623 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.943 12.395 -14.206 1.00 0.00 H new ATOM 427 N ALA A 31 -2.802 10.664 -8.362 1.00 0.00 N ATOM 428 CA ALA A 31 -3.876 11.690 -8.246 1.00 0.00 C ATOM 429 C ALA A 31 -3.259 13.090 -8.246 1.00 0.00 C ATOM 430 O ALA A 31 -3.363 13.824 -7.284 1.00 0.00 O ATOM 431 CB ALA A 31 -4.646 11.473 -6.942 1.00 0.00 C ATOM 0 H ALA A 31 -2.482 10.270 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.555 11.597 -9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.432 12.223 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.091 10.478 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.963 11.563 -6.097 1.00 0.00 H new ATOM 437 N GLY A 32 -2.622 13.471 -9.320 1.00 0.00 N ATOM 438 CA GLY A 32 -2.007 14.827 -9.378 1.00 0.00 C ATOM 439 C GLY A 32 -0.529 14.743 -8.995 1.00 0.00 C ATOM 440 O GLY A 32 0.294 14.275 -9.758 1.00 0.00 O ATOM 0 H GLY A 32 -2.501 12.903 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.109 15.240 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.530 15.503 -8.701 1.00 0.00 H new ATOM 444 N LEU A 33 -0.185 15.198 -7.822 1.00 0.00 N ATOM 445 CA LEU A 33 1.242 15.149 -7.394 1.00 0.00 C ATOM 446 C LEU A 33 1.418 14.090 -6.303 1.00 0.00 C ATOM 447 O LEU A 33 2.360 14.130 -5.536 1.00 0.00 O ATOM 448 CB LEU A 33 1.655 16.518 -6.847 1.00 0.00 C ATOM 449 CG LEU A 33 1.502 17.577 -7.942 1.00 0.00 C ATOM 450 CD1 LEU A 33 0.265 18.432 -7.660 1.00 0.00 C ATOM 451 CD2 LEU A 33 2.744 18.472 -7.960 1.00 0.00 C ATOM 0 H LEU A 33 -0.829 15.601 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 33 1.867 14.892 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.038 16.778 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.688 16.486 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 33 1.390 17.085 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.158 19.185 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.621 17.797 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.375 18.924 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.637 19.227 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.853 18.962 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.627 17.865 -8.161 1.00 0.00 H new ATOM 463 N GLN A 34 0.524 13.141 -6.225 1.00 0.00 N ATOM 464 CA GLN A 34 0.652 12.086 -5.178 1.00 0.00 C ATOM 465 C GLN A 34 0.611 10.701 -5.830 1.00 0.00 C ATOM 466 O GLN A 34 -0.278 10.393 -6.600 1.00 0.00 O ATOM 467 CB GLN A 34 -0.504 12.206 -4.182 1.00 0.00 C ATOM 468 CG GLN A 34 -0.652 13.663 -3.740 1.00 0.00 C ATOM 469 CD GLN A 34 -1.358 13.713 -2.383 1.00 0.00 C ATOM 470 OE1 GLN A 34 -2.504 14.108 -2.295 1.00 0.00 O ATOM 471 NE2 GLN A 34 -0.719 13.328 -1.312 1.00 0.00 N ATOM 0 H GLN A 34 -0.286 13.051 -6.838 1.00 0.00 H new ATOM 0 HA GLN A 34 1.600 12.216 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.430 11.859 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.319 11.570 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.328 14.135 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.223 14.223 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.243 12.996 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.181 13.359 -0.403 1.00 0.00 H new ATOM 480 N VAL A 35 1.560 9.862 -5.520 1.00 0.00 N ATOM 481 CA VAL A 35 1.569 8.494 -6.111 1.00 0.00 C ATOM 482 C VAL A 35 1.013 7.506 -5.084 1.00 0.00 C ATOM 483 O VAL A 35 1.085 7.730 -3.892 1.00 0.00 O ATOM 484 CB VAL A 35 3.003 8.102 -6.482 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.082 6.591 -6.718 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.415 8.835 -7.759 1.00 0.00 C ATOM 0 H VAL A 35 2.330 10.064 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 35 0.953 8.476 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 35 3.673 8.376 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.103 6.317 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.788 6.065 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.411 6.314 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.435 8.558 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.741 8.560 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.363 9.911 -7.594 1.00 0.00 H new ATOM 496 N TYR A 36 0.456 6.415 -5.533 1.00 0.00 N ATOM 497 CA TYR A 36 -0.103 5.422 -4.576 1.00 0.00 C ATOM 498 C TYR A 36 0.371 4.017 -4.955 1.00 0.00 C ATOM 499 O TYR A 36 -0.129 3.411 -5.880 1.00 0.00 O ATOM 500 CB TYR A 36 -1.631 5.472 -4.624 1.00 0.00 C ATOM 501 CG TYR A 36 -2.127 6.613 -3.769 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.845 7.934 -4.132 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.869 6.348 -2.612 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.307 8.993 -3.340 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.331 7.405 -1.819 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.049 8.727 -2.183 1.00 0.00 C ATOM 507 OH TYR A 36 -3.504 9.770 -1.400 1.00 0.00 O ATOM 0 H TYR A 36 0.364 6.170 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 36 0.239 5.660 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.969 5.601 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.047 4.530 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.271 8.138 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.085 5.328 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.091 10.013 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.905 7.201 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.002 9.412 -0.636 1.00 0.00 H new ATOM 517 N ASN A 37 1.329 3.495 -4.239 1.00 0.00 N ATOM 518 CA ASN A 37 1.830 2.126 -4.553 1.00 0.00 C ATOM 519 C ASN A 37 1.089 1.114 -3.679 1.00 0.00 C ATOM 520 O ASN A 37 1.252 1.083 -2.476 1.00 0.00 O ATOM 521 CB ASN A 37 3.331 2.053 -4.262 1.00 0.00 C ATOM 522 CG ASN A 37 3.985 3.391 -4.611 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.360 3.620 -5.743 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.139 4.291 -3.678 1.00 0.00 N ATOM 0 H ASN A 37 1.786 3.956 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 37 1.657 1.901 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.497 1.818 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.786 1.251 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.574 5.186 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.824 4.099 -2.727 1.00 0.00 H new ATOM 531 N LYS A 38 0.271 0.288 -4.270 1.00 0.00 N ATOM 532 CA LYS A 38 -0.483 -0.711 -3.462 1.00 0.00 C ATOM 533 C LYS A 38 -0.790 -1.945 -4.309 1.00 0.00 C ATOM 534 O LYS A 38 -0.833 -1.890 -5.523 1.00 0.00 O ATOM 535 CB LYS A 38 -1.798 -0.089 -2.989 1.00 0.00 C ATOM 536 CG LYS A 38 -1.533 0.825 -1.791 1.00 0.00 C ATOM 537 CD LYS A 38 -2.850 1.101 -1.061 1.00 0.00 C ATOM 538 CE LYS A 38 -2.800 2.493 -0.427 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.118 2.412 0.896 1.00 0.00 N ATOM 0 H LYS A 38 0.092 0.261 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 38 0.121 -1.005 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.255 0.480 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.504 -0.872 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.820 0.356 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.087 1.761 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.685 1.037 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.018 0.346 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.267 3.183 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.810 2.885 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.084 3.358 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.644 1.766 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.150 2.055 0.766 1.00 0.00 H new ATOM 553 N CYS A 39 -1.019 -3.057 -3.668 1.00 0.00 N ATOM 554 CA CYS A 39 -1.343 -4.302 -4.419 1.00 0.00 C ATOM 555 C CYS A 39 -2.838 -4.302 -4.736 1.00 0.00 C ATOM 556 O CYS A 39 -3.669 -4.402 -3.855 1.00 0.00 O ATOM 557 CB CYS A 39 -1.001 -5.523 -3.563 1.00 0.00 C ATOM 558 SG CYS A 39 0.712 -5.402 -2.994 1.00 0.00 S ATOM 0 H CYS A 39 -0.996 -3.158 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.764 -4.343 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.676 -5.582 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.139 -6.436 -4.142 1.00 0.00 H new ATOM 563 N TRP A 40 -3.191 -4.173 -5.983 1.00 0.00 N ATOM 564 CA TRP A 40 -4.629 -4.147 -6.350 1.00 0.00 C ATOM 565 C TRP A 40 -4.962 -5.379 -7.194 1.00 0.00 C ATOM 566 O TRP A 40 -4.087 -6.106 -7.619 1.00 0.00 O ATOM 567 CB TRP A 40 -4.888 -2.874 -7.152 1.00 0.00 C ATOM 568 CG TRP A 40 -6.293 -2.418 -6.950 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.346 -2.840 -7.675 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.811 -1.459 -5.984 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.488 -2.202 -7.218 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.207 -1.342 -6.174 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.211 -0.689 -4.971 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.983 -0.489 -5.387 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.988 0.171 -4.177 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.371 0.270 -4.384 1.00 0.00 C ATOM 0 H TRP A 40 -2.542 -4.084 -6.765 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.255 -4.159 -5.457 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.195 -2.092 -6.841 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.706 -3.059 -8.211 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.307 -3.558 -8.481 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.420 -2.349 -7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.147 -0.759 -4.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.048 -0.416 -5.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.517 0.759 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.963 0.932 -3.770 1.00 0.00 H new ATOM 587 N LYS A 41 -6.219 -5.627 -7.437 1.00 0.00 N ATOM 588 CA LYS A 41 -6.590 -6.816 -8.252 1.00 0.00 C ATOM 589 C LYS A 41 -7.078 -6.362 -9.628 1.00 0.00 C ATOM 590 O LYS A 41 -7.306 -5.192 -9.863 1.00 0.00 O ATOM 591 CB LYS A 41 -7.698 -7.596 -7.546 1.00 0.00 C ATOM 592 CG LYS A 41 -7.070 -8.527 -6.510 1.00 0.00 C ATOM 593 CD LYS A 41 -7.765 -9.886 -6.557 1.00 0.00 C ATOM 594 CE LYS A 41 -7.995 -10.380 -5.131 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.224 -11.221 -5.087 1.00 0.00 N ATOM 0 H LYS A 41 -7.001 -5.061 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.718 -7.458 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.392 -6.909 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.273 -8.173 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.005 -8.645 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.162 -8.094 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.715 -9.804 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.155 -10.601 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.135 -10.957 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.097 -9.532 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.343 -11.612 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.052 -10.639 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.137 -11.999 -5.771 1.00 0.00 H new ATOM 609 N PHE A 42 -7.241 -7.281 -10.538 1.00 0.00 N ATOM 610 CA PHE A 42 -7.713 -6.908 -11.898 1.00 0.00 C ATOM 611 C PHE A 42 -9.233 -6.759 -11.880 1.00 0.00 C ATOM 612 O PHE A 42 -9.796 -5.939 -12.579 1.00 0.00 O ATOM 613 CB PHE A 42 -7.316 -7.999 -12.895 1.00 0.00 C ATOM 614 CG PHE A 42 -6.927 -7.363 -14.207 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.810 -6.520 -14.274 1.00 0.00 C ATOM 616 CD2 PHE A 42 -7.682 -7.616 -15.360 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.450 -5.930 -15.491 1.00 0.00 C ATOM 618 CE2 PHE A 42 -7.321 -7.026 -16.577 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.205 -6.184 -16.642 1.00 0.00 C ATOM 0 H PHE A 42 -7.067 -8.276 -10.397 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.257 -5.964 -12.197 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.484 -8.582 -12.500 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.146 -8.689 -13.045 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.227 -6.325 -13.386 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.543 -8.266 -15.310 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.590 -5.279 -15.542 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.903 -7.220 -17.465 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.926 -5.730 -17.581 1.00 0.00 H new ATOM 629 N GLU A 43 -9.902 -7.550 -11.088 1.00 0.00 N ATOM 630 CA GLU A 43 -11.385 -7.458 -11.028 1.00 0.00 C ATOM 631 C GLU A 43 -11.786 -6.175 -10.300 1.00 0.00 C ATOM 632 O GLU A 43 -12.908 -5.718 -10.396 1.00 0.00 O ATOM 633 CB GLU A 43 -11.945 -8.669 -10.279 1.00 0.00 C ATOM 634 CG GLU A 43 -13.474 -8.662 -10.367 1.00 0.00 C ATOM 635 CD GLU A 43 -14.019 -10.011 -9.893 1.00 0.00 C ATOM 636 OE1 GLU A 43 -13.473 -10.548 -8.943 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.974 -10.484 -10.488 1.00 0.00 O ATOM 0 H GLU A 43 -9.485 -8.255 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.789 -7.443 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.550 -9.590 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.630 -8.642 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.880 -7.858 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.789 -8.471 -11.393 1.00 0.00 H new ATOM 644 N HIS A 44 -10.876 -5.589 -9.573 1.00 0.00 N ATOM 645 CA HIS A 44 -11.200 -4.335 -8.840 1.00 0.00 C ATOM 646 C HIS A 44 -10.696 -3.134 -9.643 1.00 0.00 C ATOM 647 O HIS A 44 -10.705 -2.012 -9.176 1.00 0.00 O ATOM 648 CB HIS A 44 -10.527 -4.361 -7.469 1.00 0.00 C ATOM 649 CG HIS A 44 -10.823 -5.671 -6.792 1.00 0.00 C ATOM 650 ND1 HIS A 44 -10.235 -6.031 -5.590 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.642 -6.717 -7.137 1.00 0.00 C ATOM 652 CE1 HIS A 44 -10.704 -7.247 -5.258 1.00 0.00 C ATOM 653 NE2 HIS A 44 -11.565 -7.712 -6.168 1.00 0.00 N ATOM 0 H HIS A 44 -9.920 -5.926 -9.455 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.279 -4.253 -8.709 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.450 -4.230 -7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.889 -3.534 -6.858 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.254 -6.761 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.419 -7.783 -4.364 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.059 -8.604 -6.155 1.00 0.00 H new ATOM 661 N CYS A 45 -10.260 -3.360 -10.853 1.00 0.00 N ATOM 662 CA CYS A 45 -9.763 -2.232 -11.691 1.00 0.00 C ATOM 663 C CYS A 45 -10.816 -1.895 -12.751 1.00 0.00 C ATOM 664 O CYS A 45 -10.813 -2.441 -13.836 1.00 0.00 O ATOM 665 CB CYS A 45 -8.460 -2.642 -12.384 1.00 0.00 C ATOM 666 SG CYS A 45 -7.127 -2.757 -11.162 1.00 0.00 S ATOM 0 H CYS A 45 -10.227 -4.278 -11.297 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.579 -1.362 -11.061 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.590 -3.601 -12.886 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.200 -1.913 -13.152 1.00 0.00 H new ATOM 671 N ASN A 46 -11.721 -1.004 -12.445 1.00 0.00 N ATOM 672 CA ASN A 46 -12.773 -0.645 -13.440 1.00 0.00 C ATOM 673 C ASN A 46 -13.110 0.843 -13.327 1.00 0.00 C ATOM 674 O ASN A 46 -14.248 1.244 -13.475 1.00 0.00 O ATOM 675 CB ASN A 46 -14.037 -1.474 -13.186 1.00 0.00 C ATOM 676 CG ASN A 46 -14.101 -1.892 -11.716 1.00 0.00 C ATOM 677 OD1 ASN A 46 -14.881 -1.357 -10.952 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.308 -2.834 -11.284 1.00 0.00 N ATOM 0 H ASN A 46 -11.778 -0.511 -11.554 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.398 -0.856 -14.441 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.922 -0.893 -13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.037 -2.358 -13.824 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.343 -3.121 -10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.653 -3.283 -11.924 1.00 0.00 H new ATOM 685 N PHE A 47 -12.134 1.667 -13.069 1.00 0.00 N ATOM 686 CA PHE A 47 -12.404 3.127 -12.951 1.00 0.00 C ATOM 687 C PHE A 47 -13.562 3.356 -11.978 1.00 0.00 C ATOM 688 O PHE A 47 -14.313 4.304 -12.100 1.00 0.00 O ATOM 689 CB PHE A 47 -12.772 3.691 -14.324 1.00 0.00 C ATOM 690 CG PHE A 47 -12.529 5.180 -14.335 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.220 5.674 -14.387 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.611 6.066 -14.290 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.994 7.056 -14.392 1.00 0.00 C ATOM 694 CE2 PHE A 47 -13.385 7.448 -14.297 1.00 0.00 C ATOM 695 CZ PHE A 47 -12.077 7.942 -14.348 1.00 0.00 C ATOM 0 H PHE A 47 -11.161 1.393 -12.935 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.512 3.631 -12.579 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.177 3.208 -15.099 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.818 3.480 -14.548 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.385 4.990 -14.423 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.620 5.684 -14.250 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.985 7.438 -14.430 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.220 8.132 -14.263 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.903 9.008 -14.353 1.00 0.00 H new ATOM 705 N ASN A 48 -13.710 2.493 -11.012 1.00 0.00 N ATOM 706 CA ASN A 48 -14.813 2.653 -10.023 1.00 0.00 C ATOM 707 C ASN A 48 -14.449 1.894 -8.747 1.00 0.00 C ATOM 708 O ASN A 48 -14.589 2.399 -7.651 1.00 0.00 O ATOM 709 CB ASN A 48 -16.110 2.084 -10.604 1.00 0.00 C ATOM 710 CG ASN A 48 -17.302 2.607 -9.800 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.612 3.782 -9.847 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.987 1.781 -9.059 1.00 0.00 N ATOM 0 H ASN A 48 -13.112 1.680 -10.864 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.955 3.710 -9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.209 2.372 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.087 0.995 -10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.783 2.120 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.727 0.795 -9.020 1.00 0.00 H new ATOM 719 N ASP A 49 -13.973 0.687 -8.884 1.00 0.00 N ATOM 720 CA ASP A 49 -13.588 -0.099 -7.681 1.00 0.00 C ATOM 721 C ASP A 49 -12.332 0.515 -7.068 1.00 0.00 C ATOM 722 O ASP A 49 -11.987 0.250 -5.935 1.00 0.00 O ATOM 723 CB ASP A 49 -13.305 -1.548 -8.086 1.00 0.00 C ATOM 724 CG ASP A 49 -14.325 -2.473 -7.420 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.493 -2.122 -7.406 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.920 -3.518 -6.937 1.00 0.00 O ATOM 0 H ASP A 49 -13.835 0.213 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.399 -0.082 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.358 -1.651 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.295 -1.829 -7.789 1.00 0.00 H new ATOM 731 N VAL A 50 -11.646 1.339 -7.813 1.00 0.00 N ATOM 732 CA VAL A 50 -10.410 1.978 -7.283 1.00 0.00 C ATOM 733 C VAL A 50 -10.759 3.352 -6.707 1.00 0.00 C ATOM 734 O VAL A 50 -10.242 3.759 -5.686 1.00 0.00 O ATOM 735 CB VAL A 50 -9.396 2.144 -8.416 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.151 2.855 -7.886 1.00 0.00 C ATOM 737 CG2 VAL A 50 -9.005 0.767 -8.957 1.00 0.00 C ATOM 0 H VAL A 50 -11.890 1.597 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.981 1.351 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.840 2.736 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.428 2.973 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.429 3.836 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.707 2.263 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.282 0.885 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.562 0.174 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.892 0.259 -9.335 1.00 0.00 H new ATOM 747 N THR A 51 -11.635 4.070 -7.357 1.00 0.00 N ATOM 748 CA THR A 51 -12.019 5.417 -6.851 1.00 0.00 C ATOM 749 C THR A 51 -12.919 5.260 -5.624 1.00 0.00 C ATOM 750 O THR A 51 -13.126 6.188 -4.869 1.00 0.00 O ATOM 751 CB THR A 51 -12.770 6.178 -7.946 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.393 5.249 -8.824 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.785 7.045 -8.733 1.00 0.00 C ATOM 0 H THR A 51 -12.101 3.781 -8.217 1.00 0.00 H new ATOM 0 HA THR A 51 -11.123 5.973 -6.575 1.00 0.00 H new ATOM 0 HB THR A 51 -13.529 6.815 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.785 5.039 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.320 7.587 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.307 7.756 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.025 6.410 -9.188 1.00 0.00 H new ATOM 761 N THR A 52 -13.457 4.087 -5.420 1.00 0.00 N ATOM 762 CA THR A 52 -14.339 3.865 -4.246 1.00 0.00 C ATOM 763 C THR A 52 -13.524 3.253 -3.106 1.00 0.00 C ATOM 764 O THR A 52 -13.633 3.657 -1.966 1.00 0.00 O ATOM 765 CB THR A 52 -15.463 2.907 -4.637 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.038 3.328 -5.866 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.530 2.902 -3.546 1.00 0.00 C ATOM 0 H THR A 52 -13.321 3.273 -6.020 1.00 0.00 H new ATOM 0 HA THR A 52 -14.762 4.815 -3.920 1.00 0.00 H new ATOM 0 HB THR A 52 -15.060 1.901 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.681 2.783 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.332 2.219 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.087 2.577 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.934 3.907 -3.428 1.00 0.00 H new ATOM 775 N ARG A 53 -12.700 2.283 -3.405 1.00 0.00 N ATOM 776 CA ARG A 53 -11.878 1.653 -2.337 1.00 0.00 C ATOM 777 C ARG A 53 -10.909 2.695 -1.782 1.00 0.00 C ATOM 778 O ARG A 53 -10.685 2.781 -0.591 1.00 0.00 O ATOM 779 CB ARG A 53 -11.090 0.476 -2.916 1.00 0.00 C ATOM 780 CG ARG A 53 -11.886 -0.816 -2.723 1.00 0.00 C ATOM 781 CD ARG A 53 -10.924 -1.976 -2.457 1.00 0.00 C ATOM 782 NE ARG A 53 -11.093 -2.448 -1.054 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.122 -3.087 -0.460 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.160 -2.420 0.116 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.111 -4.392 -0.444 1.00 0.00 N ATOM 0 H ARG A 53 -12.563 1.902 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.526 1.287 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.896 0.641 -3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.121 0.396 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.580 -0.707 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.484 -1.023 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.120 -2.792 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.896 -1.655 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.967 -2.272 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.167 -1.400 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.401 -2.918 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.862 -4.914 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.352 -4.890 0.021 1.00 0.00 H new ATOM 799 N LEU A 54 -10.341 3.495 -2.639 1.00 0.00 N ATOM 800 CA LEU A 54 -9.395 4.538 -2.166 1.00 0.00 C ATOM 801 C LEU A 54 -10.190 5.744 -1.659 1.00 0.00 C ATOM 802 O LEU A 54 -9.640 6.671 -1.099 1.00 0.00 O ATOM 803 CB LEU A 54 -8.492 4.963 -3.322 1.00 0.00 C ATOM 804 CG LEU A 54 -7.644 3.769 -3.756 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.791 4.156 -4.967 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.733 3.350 -2.602 1.00 0.00 C ATOM 0 H LEU A 54 -10.492 3.470 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.781 4.142 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.094 5.321 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.850 5.789 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.297 2.939 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.187 3.302 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.441 4.456 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.137 4.986 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.126 2.498 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.081 4.181 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.341 3.072 -1.741 1.00 0.00 H new ATOM 818 N ARG A 55 -11.482 5.735 -1.850 1.00 0.00 N ATOM 819 CA ARG A 55 -12.312 6.877 -1.378 1.00 0.00 C ATOM 820 C ARG A 55 -11.883 8.154 -2.102 1.00 0.00 C ATOM 821 O ARG A 55 -11.840 9.222 -1.526 1.00 0.00 O ATOM 822 CB ARG A 55 -12.125 7.054 0.131 1.00 0.00 C ATOM 823 CG ARG A 55 -13.365 6.533 0.862 1.00 0.00 C ATOM 824 CD ARG A 55 -14.364 7.675 1.048 1.00 0.00 C ATOM 825 NE ARG A 55 -14.790 7.735 2.475 1.00 0.00 N ATOM 826 CZ ARG A 55 -14.640 8.838 3.155 1.00 0.00 C ATOM 827 NH1 ARG A 55 -13.452 9.206 3.548 1.00 0.00 N ATOM 828 NH2 ARG A 55 -15.679 9.575 3.438 1.00 0.00 N ATOM 0 H ARG A 55 -11.997 4.986 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.362 6.676 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.239 6.514 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.965 8.106 0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.823 5.724 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.083 6.121 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.910 8.621 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.231 7.523 0.405 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.199 6.913 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.640 8.631 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.335 10.069 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.607 9.288 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.563 10.438 3.970 1.00 0.00 H new ATOM 842 N GLU A 56 -11.566 8.051 -3.364 1.00 0.00 N ATOM 843 CA GLU A 56 -11.140 9.258 -4.126 1.00 0.00 C ATOM 844 C GLU A 56 -12.043 9.428 -5.350 1.00 0.00 C ATOM 845 O GLU A 56 -13.145 8.918 -5.395 1.00 0.00 O ATOM 846 CB GLU A 56 -9.688 9.087 -4.579 1.00 0.00 C ATOM 847 CG GLU A 56 -8.815 8.735 -3.372 1.00 0.00 C ATOM 848 CD GLU A 56 -7.862 9.895 -3.078 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.471 10.568 -4.017 1.00 0.00 O ATOM 850 OE2 GLU A 56 -7.538 10.089 -1.918 1.00 0.00 O ATOM 0 H GLU A 56 -11.584 7.183 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.219 10.140 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.621 8.301 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.330 10.006 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.441 8.535 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.248 7.826 -3.572 1.00 0.00 H new ATOM 857 N ASN A 57 -11.588 10.143 -6.344 1.00 0.00 N ATOM 858 CA ASN A 57 -12.426 10.340 -7.561 1.00 0.00 C ATOM 859 C ASN A 57 -11.531 10.692 -8.752 1.00 0.00 C ATOM 860 O ASN A 57 -11.623 10.096 -9.806 1.00 0.00 O ATOM 861 CB ASN A 57 -13.421 11.477 -7.320 1.00 0.00 C ATOM 862 CG ASN A 57 -14.798 11.073 -7.850 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.412 11.804 -8.602 1.00 0.00 O ATOM 864 ND2 ASN A 57 -15.312 9.929 -7.489 1.00 0.00 N ATOM 0 H ASN A 57 -10.675 10.598 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.969 9.420 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.481 11.702 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.080 12.384 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.229 9.649 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.797 9.315 -6.858 1.00 0.00 H new ATOM 871 N GLU A 58 -10.667 11.658 -8.592 1.00 0.00 N ATOM 872 CA GLU A 58 -9.769 12.048 -9.715 1.00 0.00 C ATOM 873 C GLU A 58 -8.409 11.369 -9.542 1.00 0.00 C ATOM 874 O GLU A 58 -7.621 11.745 -8.696 1.00 0.00 O ATOM 875 CB GLU A 58 -9.585 13.568 -9.712 1.00 0.00 C ATOM 876 CG GLU A 58 -9.085 14.016 -8.338 1.00 0.00 C ATOM 877 CD GLU A 58 -7.748 14.742 -8.494 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.670 15.628 -9.330 1.00 0.00 O ATOM 879 OE2 GLU A 58 -6.823 14.401 -7.775 1.00 0.00 O ATOM 0 H GLU A 58 -10.545 12.193 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.211 11.735 -10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.873 13.861 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.529 14.060 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.816 14.675 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.968 13.153 -7.683 1.00 0.00 H new ATOM 886 N LEU A 59 -8.126 10.373 -10.336 1.00 0.00 N ATOM 887 CA LEU A 59 -6.816 9.675 -10.214 1.00 0.00 C ATOM 888 C LEU A 59 -6.645 8.702 -11.384 1.00 0.00 C ATOM 889 O LEU A 59 -7.558 7.990 -11.750 1.00 0.00 O ATOM 890 CB LEU A 59 -6.772 8.900 -8.896 1.00 0.00 C ATOM 891 CG LEU A 59 -7.939 7.912 -8.848 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.491 6.564 -9.416 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.390 7.728 -7.398 1.00 0.00 C ATOM 0 H LEU A 59 -8.745 10.013 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.010 10.409 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.826 8.367 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.830 9.590 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.767 8.299 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.323 5.860 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.168 6.694 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.663 6.176 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.222 7.024 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.561 7.341 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.709 8.688 -6.992 1.00 0.00 H new ATOM 905 N THR A 60 -5.481 8.667 -11.974 1.00 0.00 N ATOM 906 CA THR A 60 -5.256 7.742 -13.121 1.00 0.00 C ATOM 907 C THR A 60 -4.665 6.425 -12.612 1.00 0.00 C ATOM 908 O THR A 60 -3.480 6.179 -12.727 1.00 0.00 O ATOM 909 CB THR A 60 -4.289 8.388 -14.115 1.00 0.00 C ATOM 910 OG1 THR A 60 -4.036 9.731 -13.720 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.908 8.374 -15.514 1.00 0.00 C ATOM 0 H THR A 60 -4.677 9.238 -11.712 1.00 0.00 H new ATOM 0 HA THR A 60 -6.206 7.542 -13.616 1.00 0.00 H new ATOM 0 HB THR A 60 -3.353 7.829 -14.129 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.415 10.147 -14.354 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.218 8.834 -16.222 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.103 7.345 -15.815 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.844 8.933 -15.503 1.00 0.00 H new ATOM 919 N TYR A 61 -5.482 5.576 -12.052 1.00 0.00 N ATOM 920 CA TYR A 61 -4.972 4.274 -11.538 1.00 0.00 C ATOM 921 C TYR A 61 -4.573 3.381 -12.720 1.00 0.00 C ATOM 922 O TYR A 61 -5.315 3.231 -13.670 1.00 0.00 O ATOM 923 CB TYR A 61 -6.073 3.587 -10.712 1.00 0.00 C ATOM 924 CG TYR A 61 -7.025 2.854 -11.632 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.144 3.512 -12.154 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.774 1.520 -11.971 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.015 2.834 -13.014 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.644 0.842 -12.832 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.764 1.498 -13.355 1.00 0.00 C ATOM 930 OH TYR A 61 -9.619 0.830 -14.205 1.00 0.00 O ATOM 0 H TYR A 61 -6.483 5.728 -11.928 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.100 4.443 -10.906 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.627 2.888 -10.005 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.617 4.329 -10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.335 4.542 -11.893 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.909 1.014 -11.568 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.881 3.340 -13.415 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.451 -0.188 -13.093 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.298 -0.087 -14.338 1.00 0.00 H new ATOM 940 N TYR A 62 -3.416 2.782 -12.668 1.00 0.00 N ATOM 941 CA TYR A 62 -2.993 1.897 -13.790 1.00 0.00 C ATOM 942 C TYR A 62 -2.601 0.524 -13.236 1.00 0.00 C ATOM 943 O TYR A 62 -1.519 0.337 -12.717 1.00 0.00 O ATOM 944 CB TYR A 62 -1.800 2.525 -14.517 1.00 0.00 C ATOM 945 CG TYR A 62 -1.443 1.682 -15.718 1.00 0.00 C ATOM 946 CD1 TYR A 62 -2.262 1.697 -16.852 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.292 0.885 -15.694 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.930 0.915 -17.965 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.039 0.102 -16.806 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.780 0.116 -17.942 1.00 0.00 C ATOM 951 OH TYR A 62 -0.453 -0.655 -19.039 1.00 0.00 O ATOM 0 H TYR A 62 -2.748 2.866 -11.902 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.818 1.779 -14.493 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.045 3.540 -14.831 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.946 2.597 -13.843 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.150 2.311 -16.869 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.340 0.874 -14.818 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.561 0.928 -18.841 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.926 -0.513 -16.788 1.00 0.00 H new ATOM 0 HH TYR A 62 0.375 -1.147 -18.858 1.00 0.00 H new ATOM 961 N CYS A 63 -3.480 -0.440 -13.342 1.00 0.00 N ATOM 962 CA CYS A 63 -3.166 -1.802 -12.820 1.00 0.00 C ATOM 963 C CYS A 63 -2.285 -2.543 -13.825 1.00 0.00 C ATOM 964 O CYS A 63 -2.302 -2.263 -15.007 1.00 0.00 O ATOM 965 CB CYS A 63 -4.468 -2.581 -12.608 1.00 0.00 C ATOM 966 SG CYS A 63 -5.706 -1.496 -11.854 1.00 0.00 S ATOM 0 H CYS A 63 -4.402 -0.341 -13.768 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.638 -1.714 -11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.835 -2.962 -13.561 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.287 -3.444 -11.968 1.00 0.00 H new ATOM 971 N CYS A 64 -1.511 -3.488 -13.363 1.00 0.00 N ATOM 972 CA CYS A 64 -0.628 -4.245 -14.294 1.00 0.00 C ATOM 973 C CYS A 64 -0.466 -5.685 -13.796 1.00 0.00 C ATOM 974 O CYS A 64 -0.942 -6.045 -12.737 1.00 0.00 O ATOM 975 CB CYS A 64 0.745 -3.568 -14.359 1.00 0.00 C ATOM 976 SG CYS A 64 1.656 -3.885 -12.823 1.00 0.00 S ATOM 0 H CYS A 64 -1.453 -3.767 -12.384 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.076 -4.256 -15.288 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.308 -3.947 -15.212 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.625 -2.495 -14.507 1.00 0.00 H new ATOM 981 N LYS A 65 0.212 -6.506 -14.551 1.00 0.00 N ATOM 982 CA LYS A 65 0.415 -7.919 -14.125 1.00 0.00 C ATOM 983 C LYS A 65 1.911 -8.239 -14.139 1.00 0.00 C ATOM 984 O LYS A 65 2.311 -9.375 -14.301 1.00 0.00 O ATOM 985 CB LYS A 65 -0.312 -8.853 -15.093 1.00 0.00 C ATOM 986 CG LYS A 65 0.252 -8.665 -16.503 1.00 0.00 C ATOM 987 CD LYS A 65 -0.650 -9.376 -17.514 1.00 0.00 C ATOM 988 CE LYS A 65 -1.196 -8.355 -18.515 1.00 0.00 C ATOM 989 NZ LYS A 65 -0.208 -8.155 -19.611 1.00 0.00 N ATOM 0 H LYS A 65 0.635 -6.258 -15.446 1.00 0.00 H new ATOM 0 HA LYS A 65 0.018 -8.058 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.190 -9.889 -14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.381 -8.641 -15.086 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.317 -7.603 -16.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.264 -9.066 -16.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.089 -10.150 -18.037 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.472 -9.872 -16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.144 -8.703 -18.925 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.394 -7.408 -18.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.579 -7.461 -20.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.686 -7.805 -19.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.040 -9.059 -20.096 1.00 0.00 H new ATOM 1003 N LYS A 66 2.741 -7.246 -13.972 1.00 0.00 N ATOM 1004 CA LYS A 66 4.210 -7.493 -13.978 1.00 0.00 C ATOM 1005 C LYS A 66 4.760 -7.339 -12.559 1.00 0.00 C ATOM 1006 O LYS A 66 4.129 -6.759 -11.698 1.00 0.00 O ATOM 1007 CB LYS A 66 4.894 -6.483 -14.902 1.00 0.00 C ATOM 1008 CG LYS A 66 5.476 -7.210 -16.115 1.00 0.00 C ATOM 1009 CD LYS A 66 6.782 -6.534 -16.539 1.00 0.00 C ATOM 1010 CE LYS A 66 7.160 -6.994 -17.948 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.402 -8.464 -17.942 1.00 0.00 N ATOM 0 H LYS A 66 2.465 -6.274 -13.832 1.00 0.00 H new ATOM 0 HA LYS A 66 4.406 -8.504 -14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.177 -5.729 -15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.685 -5.961 -14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.659 -8.257 -15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.762 -7.194 -16.939 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.667 -5.450 -16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.578 -6.784 -15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.362 -6.749 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.053 -6.469 -18.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.882 -8.740 -18.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.000 -8.714 -17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.493 -8.965 -17.871 1.00 0.00 H new ATOM 1025 N ASP A 67 5.931 -7.854 -12.309 1.00 0.00 N ATOM 1026 CA ASP A 67 6.521 -7.737 -10.947 1.00 0.00 C ATOM 1027 C ASP A 67 7.168 -6.360 -10.784 1.00 0.00 C ATOM 1028 O ASP A 67 8.202 -6.078 -11.355 1.00 0.00 O ATOM 1029 CB ASP A 67 7.580 -8.826 -10.756 1.00 0.00 C ATOM 1030 CG ASP A 67 6.904 -10.198 -10.736 1.00 0.00 C ATOM 1031 OD1 ASP A 67 5.995 -10.400 -11.524 1.00 0.00 O ATOM 1032 OD2 ASP A 67 7.305 -11.023 -9.932 1.00 0.00 O ATOM 0 H ASP A 67 6.505 -8.351 -12.990 1.00 0.00 H new ATOM 0 HA ASP A 67 5.736 -7.857 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.312 -8.781 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.121 -8.662 -9.824 1.00 0.00 H new ATOM 1037 N LEU A 68 6.564 -5.504 -10.006 1.00 0.00 N ATOM 1038 CA LEU A 68 7.135 -4.144 -9.792 1.00 0.00 C ATOM 1039 C LEU A 68 7.000 -3.311 -11.069 1.00 0.00 C ATOM 1040 O LEU A 68 7.979 -2.878 -11.643 1.00 0.00 O ATOM 1041 CB LEU A 68 8.614 -4.257 -9.413 1.00 0.00 C ATOM 1042 CG LEU A 68 8.772 -5.258 -8.269 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.199 -5.811 -8.269 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.497 -4.554 -6.939 1.00 0.00 C ATOM 0 H LEU A 68 5.694 -5.690 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 68 6.588 -3.656 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.198 -4.579 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.999 -3.282 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 68 8.066 -6.078 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.313 -6.525 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.396 -6.310 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.906 -4.993 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.609 -5.265 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.205 -3.735 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.481 -4.159 -6.940 1.00 0.00 H new ATOM 1056 N CYS A 69 5.797 -3.074 -11.513 1.00 0.00 N ATOM 1057 CA CYS A 69 5.608 -2.260 -12.747 1.00 0.00 C ATOM 1058 C CYS A 69 5.403 -0.793 -12.357 1.00 0.00 C ATOM 1059 O CYS A 69 5.410 0.089 -13.192 1.00 0.00 O ATOM 1060 CB CYS A 69 4.379 -2.763 -13.512 1.00 0.00 C ATOM 1061 SG CYS A 69 2.871 -2.286 -12.627 1.00 0.00 S ATOM 0 H CYS A 69 4.938 -3.408 -11.076 1.00 0.00 H new ATOM 0 HA CYS A 69 6.489 -2.351 -13.382 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.369 -2.345 -14.519 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.423 -3.847 -13.617 1.00 0.00 H new ATOM 1066 N ASN A 70 5.210 -0.530 -11.094 1.00 0.00 N ATOM 1067 CA ASN A 70 4.991 0.874 -10.647 1.00 0.00 C ATOM 1068 C ASN A 70 6.326 1.502 -10.240 1.00 0.00 C ATOM 1069 O ASN A 70 6.434 2.133 -9.208 1.00 0.00 O ATOM 1070 CB ASN A 70 4.038 0.879 -9.451 1.00 0.00 C ATOM 1071 CG ASN A 70 3.778 2.320 -9.014 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.047 3.249 -9.748 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.262 2.547 -7.837 1.00 0.00 N ATOM 0 H ASN A 70 5.195 -1.228 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 70 4.558 1.452 -11.464 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.099 0.394 -9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.468 0.310 -8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.085 3.505 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.036 1.767 -7.220 1.00 0.00 H new ATOM 1080 N PHE A 71 7.340 1.342 -11.044 1.00 0.00 N ATOM 1081 CA PHE A 71 8.660 1.938 -10.698 1.00 0.00 C ATOM 1082 C PHE A 71 8.735 3.357 -11.267 1.00 0.00 C ATOM 1083 O PHE A 71 9.761 3.790 -11.755 1.00 0.00 O ATOM 1084 CB PHE A 71 9.784 1.086 -11.293 1.00 0.00 C ATOM 1085 CG PHE A 71 9.606 0.981 -12.789 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.828 -0.050 -13.330 1.00 0.00 C ATOM 1087 CD2 PHE A 71 10.218 1.913 -13.635 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.663 -0.149 -14.717 1.00 0.00 C ATOM 1089 CE2 PHE A 71 10.053 1.814 -15.022 1.00 0.00 C ATOM 1090 CZ PHE A 71 9.275 0.783 -15.563 1.00 0.00 C ATOM 0 H PHE A 71 7.312 0.826 -11.923 1.00 0.00 H new ATOM 0 HA PHE A 71 8.773 1.971 -9.614 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.752 1.531 -11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.776 0.092 -10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.355 -0.769 -12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.818 2.709 -13.218 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.063 -0.945 -15.134 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.526 2.533 -15.675 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.147 0.707 -16.633 1.00 0.00 H new ATOM 1100 N ASN A 72 7.651 4.084 -11.209 1.00 0.00 N ATOM 1101 CA ASN A 72 7.652 5.472 -11.747 1.00 0.00 C ATOM 1102 C ASN A 72 8.041 5.443 -13.226 1.00 0.00 C ATOM 1103 O ASN A 72 9.080 5.940 -13.615 1.00 0.00 O ATOM 1104 CB ASN A 72 8.659 6.322 -10.967 1.00 0.00 C ATOM 1105 CG ASN A 72 7.928 7.480 -10.284 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.956 7.273 -9.584 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.358 8.700 -10.458 1.00 0.00 N ATOM 0 H ASN A 72 6.764 3.774 -10.811 1.00 0.00 H new ATOM 0 HA ASN A 72 6.657 5.905 -11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.168 5.710 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.424 6.708 -11.640 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.878 9.479 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.174 8.874 -11.045 1.00 0.00 H new ATOM 1114 N GLU A 73 7.217 4.863 -14.055 1.00 0.00 N ATOM 1115 CA GLU A 73 7.540 4.801 -15.509 1.00 0.00 C ATOM 1116 C GLU A 73 6.634 3.773 -16.193 1.00 0.00 C ATOM 1117 O GLU A 73 7.064 3.027 -17.050 1.00 0.00 O ATOM 1118 CB GLU A 73 9.002 4.388 -15.689 1.00 0.00 C ATOM 1119 CG GLU A 73 9.779 5.533 -16.343 1.00 0.00 C ATOM 1120 CD GLU A 73 10.349 5.061 -17.681 1.00 0.00 C ATOM 1121 OE1 GLU A 73 9.644 4.362 -18.390 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.482 5.407 -17.975 1.00 0.00 O ATOM 0 H GLU A 73 6.333 4.429 -13.788 1.00 0.00 H new ATOM 0 HA GLU A 73 7.379 5.782 -15.957 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.443 4.140 -14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.065 3.492 -16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.124 6.391 -16.496 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.585 5.861 -15.687 1.00 0.00 H new ATOM 1129 N GLN A 74 5.383 3.729 -15.826 1.00 0.00 N ATOM 1130 CA GLN A 74 4.455 2.750 -16.461 1.00 0.00 C ATOM 1131 C GLN A 74 3.059 3.365 -16.567 1.00 0.00 C ATOM 1132 O GLN A 74 2.079 2.781 -16.147 1.00 0.00 O ATOM 1133 CB GLN A 74 4.390 1.479 -15.611 1.00 0.00 C ATOM 1134 CG GLN A 74 5.013 0.315 -16.386 1.00 0.00 C ATOM 1135 CD GLN A 74 4.027 -0.852 -16.439 1.00 0.00 C ATOM 1136 OE1 GLN A 74 2.901 -0.732 -15.998 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.404 -1.985 -16.966 1.00 0.00 N ATOM 0 H GLN A 74 4.963 4.328 -15.115 1.00 0.00 H new ATOM 0 HA GLN A 74 4.819 2.500 -17.458 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.921 1.630 -14.671 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.355 1.250 -15.359 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.270 0.634 -17.396 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.940 -0.000 -15.906 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.349 -2.086 -17.336 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.754 -2.770 -17.008 1.00 0.00 H new ATOM 1146 N LEU A 75 2.959 4.540 -17.126 1.00 0.00 N ATOM 1147 CA LEU A 75 1.626 5.191 -17.261 1.00 0.00 C ATOM 1148 C LEU A 75 1.574 5.991 -18.563 1.00 0.00 C ATOM 1149 O LEU A 75 0.665 5.843 -19.357 1.00 0.00 O ATOM 1150 CB LEU A 75 1.392 6.132 -16.077 1.00 0.00 C ATOM 1151 CG LEU A 75 0.139 5.694 -15.318 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.015 6.533 -14.049 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -1.089 5.893 -16.210 1.00 0.00 C ATOM 0 H LEU A 75 3.744 5.077 -17.495 1.00 0.00 H new ATOM 0 HA LEU A 75 0.852 4.424 -17.275 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.256 6.119 -15.412 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.277 7.157 -16.430 1.00 0.00 H new ATOM 0 HG LEU A 75 0.230 4.642 -15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.909 6.218 -13.511 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.859 6.394 -13.413 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.105 7.586 -14.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.984 5.582 -15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.176 6.945 -16.480 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.983 5.294 -17.114 1.00 0.00 H new