USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 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 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.448 USER MOD Set 2.1: A 71 SER OG : rot -124:sc= 0.161 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0.226 USER MOD Set 3.1: A 26 THR OG1 : rot -88:sc= 2.08 USER MOD Set 3.2: A 51 SER OG : rot -40:sc= 1.03 USER MOD Set 4.1: A 27 CYS SG : rot -162:sc= -0.359 USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.0222 X(o=0.022,f=-0.067) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.08) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.923 K(o=0.92,f=-8.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.2!) USER MOD Single : A 38 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.4) USER MOD Single : A 39 MET CE :methyl -126:sc= -1.55 (180deg=-6.02!) USER MOD Single : A 40 THR OG1 : rot -115:sc= 0.965 USER MOD Single : A 43 THR OG1 : rot 66:sc= 0.247 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.42 USER MOD Single : A 59 ASN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.922 K(o=-0.92,f=-3.8!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0.998 (180deg=0.967) USER MOD Single : A 82 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= 2.46 (180deg=2.32) USER MOD Single : A 88 HIS : no HD1:sc= -0.712 K(o=-0.71,f=-2.2) USER MOD Single : A 90 ASN : amide:sc= 0.812 K(o=0.81,f=-0.21) USER MOD Single : A 91 GLN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 93 THR OG1 : rot -117:sc= 1.24 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.946 K(o=0.95,f=-2.2!) USER MOD Single : A 102 THR OG1 : rot -71:sc= 0.123 USER MOD Single : A 104 CYS SG : rot 140:sc= -0.155 USER MOD Single : A 107 CYS SG : rot 180:sc= -0.782 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -14.739 -11.357 2.951 1.00 0.00 N ATOM 86 CA PRO A 6 -13.519 -10.581 3.037 1.00 0.00 C ATOM 87 C PRO A 6 -13.322 -9.989 4.416 1.00 0.00 C ATOM 88 O PRO A 6 -14.223 -9.971 5.258 1.00 0.00 O ATOM 89 CB PRO A 6 -13.630 -9.532 1.927 1.00 0.00 C ATOM 90 CG PRO A 6 -15.134 -9.283 1.843 1.00 0.00 C ATOM 91 CD PRO A 6 -15.720 -10.668 2.120 1.00 0.00 C ATOM 0 HA PRO A 6 -12.629 -11.194 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.083 -8.622 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.228 -9.899 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.465 -8.549 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.428 -8.907 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.680 -10.591 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.896 -11.211 1.191 1.00 0.00 H new ATOM 99 N ILE A 7 -12.098 -9.526 4.644 1.00 0.00 N ATOM 100 CA ILE A 7 -11.737 -8.850 5.867 1.00 0.00 C ATOM 101 C ILE A 7 -12.197 -7.399 5.713 1.00 0.00 C ATOM 102 O ILE A 7 -11.413 -6.557 5.299 1.00 0.00 O ATOM 103 CB ILE A 7 -10.225 -8.997 6.146 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.756 -10.472 6.208 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.884 -8.297 7.470 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.230 -10.604 6.142 1.00 0.00 C ATOM 0 H ILE A 7 -11.331 -9.614 3.978 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.223 -9.287 6.739 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.700 -8.533 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.118 -10.927 7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.202 -11.027 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.817 -8.398 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.141 -7.240 7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.451 -8.755 8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.954 -11.657 6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.868 -10.175 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.782 -10.073 6.982 1.00 0.00 H new ATOM 118 N ASP A 8 -13.481 -7.149 5.966 1.00 0.00 N ATOM 119 CA ASP A 8 -14.295 -5.942 5.735 1.00 0.00 C ATOM 120 C ASP A 8 -13.820 -5.070 4.559 1.00 0.00 C ATOM 121 O ASP A 8 -13.840 -3.841 4.619 1.00 0.00 O ATOM 122 CB ASP A 8 -14.520 -5.154 7.049 1.00 0.00 C ATOM 123 CG ASP A 8 -16.017 -4.869 7.280 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.757 -4.560 6.315 1.00 0.00 O ATOM 125 OD2 ASP A 8 -16.478 -5.037 8.433 1.00 0.00 O ATOM 0 H ASP A 8 -14.053 -7.878 6.392 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.273 -6.293 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.122 -5.722 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.970 -4.214 7.011 1.00 0.00 H new ATOM 130 N LEU A 9 -13.299 -5.715 3.512 1.00 0.00 N ATOM 131 CA LEU A 9 -12.421 -5.111 2.532 1.00 0.00 C ATOM 132 C LEU A 9 -13.282 -4.369 1.527 1.00 0.00 C ATOM 133 O LEU A 9 -14.226 -4.932 0.974 1.00 0.00 O ATOM 134 CB LEU A 9 -11.603 -6.224 1.864 1.00 0.00 C ATOM 135 CG LEU A 9 -10.153 -5.857 1.524 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.655 -6.899 0.541 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.944 -4.504 0.856 1.00 0.00 C ATOM 0 H LEU A 9 -13.488 -6.700 3.326 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.728 -4.404 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.596 -7.092 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.109 -6.524 0.947 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.625 -5.815 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.623 -6.678 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.706 -7.886 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.278 -6.882 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.882 -4.354 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.491 -4.475 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.309 -3.714 1.512 1.00 0.00 H new ATOM 149 N VAL A 10 -12.934 -3.118 1.272 1.00 0.00 N ATOM 150 CA VAL A 10 -13.739 -2.194 0.488 1.00 0.00 C ATOM 151 C VAL A 10 -12.826 -1.502 -0.515 1.00 0.00 C ATOM 152 O VAL A 10 -11.742 -1.045 -0.150 1.00 0.00 O ATOM 153 CB VAL A 10 -14.579 -1.238 1.359 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.945 -1.871 1.661 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.921 -0.829 2.678 1.00 0.00 C ATOM 0 H VAL A 10 -12.064 -2.707 1.612 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.499 -2.743 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.681 -0.326 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.533 -1.190 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.472 -2.062 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.801 -2.810 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.584 -0.157 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.730 -1.717 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.979 -0.321 2.472 1.00 0.00 H new ATOM 165 N PRO A 11 -13.194 -1.458 -1.804 1.00 0.00 N ATOM 166 CA PRO A 11 -12.436 -0.683 -2.760 1.00 0.00 C ATOM 167 C PRO A 11 -12.450 0.800 -2.383 1.00 0.00 C ATOM 168 O PRO A 11 -13.266 1.268 -1.580 1.00 0.00 O ATOM 169 CB PRO A 11 -13.070 -0.925 -4.125 1.00 0.00 C ATOM 170 CG PRO A 11 -14.246 -1.878 -3.903 1.00 0.00 C ATOM 171 CD PRO A 11 -14.413 -1.978 -2.392 1.00 0.00 C ATOM 0 HA PRO A 11 -11.389 -0.985 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.410 0.012 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.347 -1.358 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.153 -1.498 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.046 -2.856 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.278 -1.405 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.579 -3.012 -2.088 1.00 0.00 H new ATOM 179 N THR A 12 -11.560 1.546 -3.019 1.00 0.00 N ATOM 180 CA THR A 12 -11.619 2.989 -3.095 1.00 0.00 C ATOM 181 C THR A 12 -11.078 3.367 -4.487 1.00 0.00 C ATOM 182 O THR A 12 -11.125 2.555 -5.421 1.00 0.00 O ATOM 183 CB THR A 12 -10.979 3.624 -1.834 1.00 0.00 C ATOM 184 OG1 THR A 12 -10.999 5.043 -1.876 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.565 3.152 -1.510 1.00 0.00 C ATOM 0 H THR A 12 -10.757 1.150 -3.508 1.00 0.00 H new ATOM 0 HA THR A 12 -12.621 3.416 -3.048 1.00 0.00 H new ATOM 0 HB THR A 12 -11.618 3.265 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.588 5.400 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.210 3.656 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.570 2.075 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.903 3.387 -2.343 1.00 0.00 H new ATOM 193 N GLN A 13 -10.658 4.616 -4.655 1.00 0.00 N ATOM 194 CA GLN A 13 -10.094 5.232 -5.852 1.00 0.00 C ATOM 195 C GLN A 13 -9.149 6.347 -5.383 1.00 0.00 C ATOM 196 O GLN A 13 -9.273 6.803 -4.242 1.00 0.00 O ATOM 197 CB GLN A 13 -11.221 5.834 -6.720 1.00 0.00 C ATOM 198 CG GLN A 13 -11.850 4.861 -7.726 1.00 0.00 C ATOM 199 CD GLN A 13 -13.351 5.080 -7.882 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.792 5.910 -8.675 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.168 4.354 -7.143 1.00 0.00 N ATOM 0 H GLN A 13 -10.708 5.285 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.562 4.494 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.004 6.211 -6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.823 6.690 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.365 4.980 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.666 3.837 -7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.791 3.669 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.177 4.478 -7.226 1.00 0.00 H new ATOM 210 N PRO A 14 -8.252 6.827 -6.257 1.00 0.00 N ATOM 211 CA PRO A 14 -7.284 7.862 -5.933 1.00 0.00 C ATOM 212 C PRO A 14 -7.978 9.204 -5.762 1.00 0.00 C ATOM 213 O PRO A 14 -9.060 9.438 -6.313 1.00 0.00 O ATOM 214 CB PRO A 14 -6.298 7.882 -7.097 1.00 0.00 C ATOM 215 CG PRO A 14 -7.141 7.406 -8.278 1.00 0.00 C ATOM 216 CD PRO A 14 -8.135 6.428 -7.645 1.00 0.00 C ATOM 0 HA PRO A 14 -6.771 7.664 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.896 8.881 -7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.449 7.223 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.652 8.236 -8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.528 6.919 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.101 6.473 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.780 5.401 -7.728 1.00 0.00 H new ATOM 224 N LEU A 15 -7.329 10.082 -5.002 1.00 0.00 N ATOM 225 CA LEU A 15 -7.821 11.402 -4.657 1.00 0.00 C ATOM 226 C LEU A 15 -7.680 12.347 -5.847 1.00 0.00 C ATOM 227 O LEU A 15 -6.694 12.235 -6.586 1.00 0.00 O ATOM 228 CB LEU A 15 -6.995 11.911 -3.473 1.00 0.00 C ATOM 229 CG LEU A 15 -7.430 11.393 -2.090 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.381 12.408 -1.455 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.065 9.995 -2.056 1.00 0.00 C ATOM 0 H LEU A 15 -6.414 9.882 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.877 11.357 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.953 11.635 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.038 13.000 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.505 11.282 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.694 12.049 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.871 13.365 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.256 12.534 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.329 9.740 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.963 9.988 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.354 9.263 -2.440 1.00 0.00 H new ATOM 243 N PRO A 16 -8.612 13.301 -5.998 1.00 0.00 N ATOM 244 CA PRO A 16 -8.600 14.281 -7.069 1.00 0.00 C ATOM 245 C PRO A 16 -7.480 15.277 -6.791 1.00 0.00 C ATOM 246 O PRO A 16 -7.261 15.632 -5.633 1.00 0.00 O ATOM 247 CB PRO A 16 -9.975 14.953 -7.005 1.00 0.00 C ATOM 248 CG PRO A 16 -10.318 14.900 -5.518 1.00 0.00 C ATOM 249 CD PRO A 16 -9.646 13.627 -5.025 1.00 0.00 C ATOM 0 HA PRO A 16 -8.424 13.853 -8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.940 15.978 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.712 14.422 -7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.943 15.778 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.396 14.869 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.214 13.775 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.368 12.815 -4.940 1.00 0.00 H new ATOM 257 N ASN A 17 -6.783 15.735 -7.831 1.00 0.00 N ATOM 258 CA ASN A 17 -5.607 16.625 -7.832 1.00 0.00 C ATOM 259 C ASN A 17 -4.469 16.243 -6.878 1.00 0.00 C ATOM 260 O ASN A 17 -3.502 16.996 -6.768 1.00 0.00 O ATOM 261 CB ASN A 17 -5.974 18.120 -7.700 1.00 0.00 C ATOM 262 CG ASN A 17 -5.962 18.688 -6.285 1.00 0.00 C ATOM 263 OD1 ASN A 17 -5.117 19.506 -5.926 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.929 18.336 -5.468 1.00 0.00 N ATOM 0 H ASN A 17 -7.045 15.473 -8.781 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.195 16.463 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.280 18.699 -8.309 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.968 18.268 -8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.980 18.742 -4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.629 17.657 -5.768 1.00 0.00 H new ATOM 271 N ALA A 18 -4.553 15.108 -6.186 1.00 0.00 N ATOM 272 CA ALA A 18 -3.521 14.667 -5.271 1.00 0.00 C ATOM 273 C ALA A 18 -2.247 14.331 -6.040 1.00 0.00 C ATOM 274 O ALA A 18 -2.284 14.031 -7.239 1.00 0.00 O ATOM 275 CB ALA A 18 -4.046 13.497 -4.447 1.00 0.00 C ATOM 0 H ALA A 18 -5.347 14.470 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.262 15.465 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.272 13.162 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.923 13.814 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.319 12.677 -5.112 1.00 0.00 H new ATOM 281 N SER A 19 -1.128 14.381 -5.329 1.00 0.00 N ATOM 282 CA SER A 19 0.212 14.391 -5.856 1.00 0.00 C ATOM 283 C SER A 19 1.116 13.903 -4.740 1.00 0.00 C ATOM 284 O SER A 19 0.808 14.028 -3.547 1.00 0.00 O ATOM 285 CB SER A 19 0.602 15.812 -6.293 1.00 0.00 C ATOM 286 OG SER A 19 -0.012 16.839 -5.520 1.00 0.00 O ATOM 0 H SER A 19 -1.143 14.418 -4.310 1.00 0.00 H new ATOM 0 HA SER A 19 0.299 13.751 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.685 15.918 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.332 15.947 -7.340 1.00 0.00 H new ATOM 0 HG SER A 19 0.280 17.715 -5.849 1.00 0.00 H new ATOM 292 N PHE A 20 2.237 13.327 -5.132 1.00 0.00 N ATOM 293 CA PHE A 20 3.234 12.842 -4.215 1.00 0.00 C ATOM 294 C PHE A 20 3.849 14.008 -3.433 1.00 0.00 C ATOM 295 O PHE A 20 3.697 15.175 -3.815 1.00 0.00 O ATOM 296 CB PHE A 20 4.272 12.080 -5.049 1.00 0.00 C ATOM 297 CG PHE A 20 5.280 11.279 -4.262 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.856 10.351 -3.294 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.650 11.438 -4.529 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.804 9.562 -2.622 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.598 10.695 -3.811 1.00 0.00 C ATOM 302 CZ PHE A 20 7.175 9.752 -2.861 1.00 0.00 C ATOM 0 H PHE A 20 2.478 13.184 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 20 2.806 12.173 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.745 11.405 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.809 12.796 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.805 10.245 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.974 12.134 -5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.478 8.808 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.652 10.848 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.904 9.173 -2.314 1.00 0.00 H new ATOM 312 N ASP A 21 4.535 13.707 -2.336 1.00 0.00 N ATOM 313 CA ASP A 21 5.105 14.689 -1.417 1.00 0.00 C ATOM 314 C ASP A 21 6.540 14.232 -1.093 1.00 0.00 C ATOM 315 O ASP A 21 7.177 13.585 -1.935 1.00 0.00 O ATOM 316 CB ASP A 21 4.163 14.804 -0.199 1.00 0.00 C ATOM 317 CG ASP A 21 4.472 15.986 0.727 1.00 0.00 C ATOM 318 OD1 ASP A 21 3.932 17.086 0.490 1.00 0.00 O ATOM 319 OD2 ASP A 21 5.190 15.786 1.740 1.00 0.00 O ATOM 0 H ASP A 21 4.716 12.744 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 21 5.182 15.694 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.137 14.895 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.220 13.881 0.378 1.00 0.00 H new ATOM 324 N ASN A 22 7.047 14.485 0.117 1.00 0.00 N ATOM 325 CA ASN A 22 8.283 13.921 0.658 1.00 0.00 C ATOM 326 C ASN A 22 7.994 12.982 1.838 1.00 0.00 C ATOM 327 O ASN A 22 8.897 12.703 2.627 1.00 0.00 O ATOM 328 CB ASN A 22 9.288 15.040 1.015 1.00 0.00 C ATOM 329 CG ASN A 22 10.256 15.294 -0.120 1.00 0.00 C ATOM 330 OD1 ASN A 22 9.845 15.429 -1.265 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.546 15.311 0.145 1.00 0.00 N ATOM 0 H ASN A 22 6.586 15.116 0.773 1.00 0.00 H new ATOM 0 HA ASN A 22 8.753 13.311 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.747 15.957 1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.841 14.762 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.220 15.438 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.871 15.197 1.105 1.00 0.00 H new ATOM 338 N PHE A 23 6.767 12.468 2.008 1.00 0.00 N ATOM 339 CA PHE A 23 6.582 11.321 2.898 1.00 0.00 C ATOM 340 C PHE A 23 7.462 10.162 2.416 1.00 0.00 C ATOM 341 O PHE A 23 7.694 9.998 1.213 1.00 0.00 O ATOM 342 CB PHE A 23 5.100 10.900 3.047 1.00 0.00 C ATOM 343 CG PHE A 23 4.434 10.162 1.888 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.791 8.832 1.578 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.408 10.781 1.147 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.198 8.167 0.490 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.776 10.095 0.094 1.00 0.00 C ATOM 348 CZ PHE A 23 3.171 8.787 -0.239 1.00 0.00 C ATOM 0 H PHE A 23 5.919 12.814 1.558 1.00 0.00 H new ATOM 0 HA PHE A 23 6.894 11.617 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.022 10.268 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.518 11.800 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.526 8.321 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.105 11.789 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.533 7.178 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.984 10.575 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.687 8.263 -1.050 1.00 0.00 H new ATOM 358 N LYS A 24 7.877 9.327 3.363 1.00 0.00 N ATOM 359 CA LYS A 24 8.476 8.019 3.163 1.00 0.00 C ATOM 360 C LYS A 24 7.578 7.033 3.885 1.00 0.00 C ATOM 361 O LYS A 24 6.967 7.375 4.904 1.00 0.00 O ATOM 362 CB LYS A 24 9.916 8.046 3.704 1.00 0.00 C ATOM 363 CG LYS A 24 10.557 6.687 4.028 1.00 0.00 C ATOM 364 CD LYS A 24 12.074 6.742 3.832 1.00 0.00 C ATOM 365 CE LYS A 24 12.870 5.660 4.566 1.00 0.00 C ATOM 366 NZ LYS A 24 13.268 6.069 5.929 1.00 0.00 N ATOM 0 H LYS A 24 7.797 9.564 4.352 1.00 0.00 H new ATOM 0 HA LYS A 24 8.550 7.728 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.545 8.553 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.928 8.653 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.328 6.408 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.130 5.916 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.289 6.667 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.431 7.718 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.271 4.751 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.762 5.417 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.804 5.300 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.863 6.920 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.418 6.275 6.492 1.00 0.00 H new ATOM 380 N LEU A 25 7.511 5.811 3.372 1.00 0.00 N ATOM 381 CA LEU A 25 6.857 4.702 4.050 1.00 0.00 C ATOM 382 C LEU A 25 7.936 3.759 4.569 1.00 0.00 C ATOM 383 O LEU A 25 9.076 3.764 4.091 1.00 0.00 O ATOM 384 CB LEU A 25 5.778 4.053 3.158 1.00 0.00 C ATOM 385 CG LEU A 25 6.093 3.920 1.653 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.144 2.847 1.406 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.858 3.550 0.833 1.00 0.00 C ATOM 0 H LEU A 25 7.912 5.561 2.468 1.00 0.00 H new ATOM 0 HA LEU A 25 6.292 5.044 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.571 3.057 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.861 4.633 3.261 1.00 0.00 H new ATOM 0 HG LEU A 25 6.459 4.898 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.346 2.775 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.062 3.109 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.777 1.888 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.131 3.468 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.463 2.595 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.098 4.322 0.952 1.00 0.00 H new ATOM 399 N THR A 26 7.600 2.978 5.586 1.00 0.00 N ATOM 400 CA THR A 26 8.498 2.082 6.303 1.00 0.00 C ATOM 401 C THR A 26 7.728 0.788 6.600 1.00 0.00 C ATOM 402 O THR A 26 6.512 0.743 6.414 1.00 0.00 O ATOM 403 CB THR A 26 9.035 2.788 7.568 1.00 0.00 C ATOM 404 OG1 THR A 26 8.019 3.001 8.525 1.00 0.00 O ATOM 405 CG2 THR A 26 9.676 4.156 7.300 1.00 0.00 C ATOM 0 H THR A 26 6.648 2.950 5.952 1.00 0.00 H new ATOM 0 HA THR A 26 9.375 1.822 5.711 1.00 0.00 H new ATOM 0 HB THR A 26 9.796 2.101 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.574 3.856 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.027 4.584 8.239 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.519 4.036 6.619 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.939 4.822 6.851 1.00 0.00 H new ATOM 413 N CYS A 27 8.397 -0.276 7.034 1.00 0.00 N ATOM 414 CA CYS A 27 7.806 -1.554 7.424 1.00 0.00 C ATOM 415 C CYS A 27 8.940 -2.383 8.029 1.00 0.00 C ATOM 416 O CYS A 27 10.113 -2.090 7.786 1.00 0.00 O ATOM 417 CB CYS A 27 7.209 -2.236 6.178 1.00 0.00 C ATOM 418 SG CYS A 27 6.484 -3.874 6.497 1.00 0.00 S ATOM 0 H CYS A 27 9.413 -0.271 7.128 1.00 0.00 H new ATOM 0 HA CYS A 27 6.999 -1.437 8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.441 -1.588 5.756 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.990 -2.338 5.424 1.00 0.00 H new ATOM 0 HG CYS A 27 6.357 -4.518 5.375 1.00 0.00 H new ATOM 424 N SER A 28 8.610 -3.434 8.774 1.00 0.00 N ATOM 425 CA SER A 28 9.584 -4.371 9.316 1.00 0.00 C ATOM 426 C SER A 28 10.398 -5.005 8.183 1.00 0.00 C ATOM 427 O SER A 28 11.630 -5.000 8.223 1.00 0.00 O ATOM 428 CB SER A 28 8.865 -5.407 10.192 1.00 0.00 C ATOM 429 OG SER A 28 7.517 -5.651 9.806 1.00 0.00 O ATOM 0 H SER A 28 7.646 -3.660 9.020 1.00 0.00 H new ATOM 0 HA SER A 28 10.297 -3.847 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.418 -6.345 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.880 -5.067 11.227 1.00 0.00 H new ATOM 0 HG SER A 28 7.122 -6.320 10.403 1.00 0.00 H new ATOM 435 N ASN A 29 9.723 -5.512 7.144 1.00 0.00 N ATOM 436 CA ASN A 29 10.407 -5.970 5.942 1.00 0.00 C ATOM 437 C ASN A 29 10.923 -4.748 5.187 1.00 0.00 C ATOM 438 O ASN A 29 10.119 -3.975 4.659 1.00 0.00 O ATOM 439 CB ASN A 29 9.498 -6.810 5.040 1.00 0.00 C ATOM 440 CG ASN A 29 10.309 -7.319 3.858 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.415 -6.682 2.829 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.973 -8.442 3.993 1.00 0.00 N ATOM 0 H ASN A 29 8.708 -5.613 7.117 1.00 0.00 H new ATOM 0 HA ASN A 29 11.234 -6.616 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.082 -7.648 5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.657 -6.211 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.572 -8.774 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.890 -8.983 4.854 1.00 0.00 H new ATOM 449 N THR A 30 12.244 -4.554 5.160 1.00 0.00 N ATOM 450 CA THR A 30 12.847 -3.383 4.538 1.00 0.00 C ATOM 451 C THR A 30 12.492 -3.334 3.050 1.00 0.00 C ATOM 452 O THR A 30 11.979 -2.315 2.591 1.00 0.00 O ATOM 453 CB THR A 30 14.366 -3.334 4.803 1.00 0.00 C ATOM 454 OG1 THR A 30 15.039 -4.472 4.299 1.00 0.00 O ATOM 455 CG2 THR A 30 14.696 -3.235 6.297 1.00 0.00 C ATOM 0 H THR A 30 12.918 -5.202 5.567 1.00 0.00 H new ATOM 0 HA THR A 30 12.435 -2.482 4.993 1.00 0.00 H new ATOM 0 HB THR A 30 14.707 -2.438 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.997 -4.396 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.777 -3.204 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.254 -2.328 6.708 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.292 -4.103 6.817 1.00 0.00 H new ATOM 463 N LYS A 31 12.701 -4.447 2.323 1.00 0.00 N ATOM 464 CA LYS A 31 12.420 -4.579 0.892 1.00 0.00 C ATOM 465 C LYS A 31 11.028 -4.060 0.574 1.00 0.00 C ATOM 466 O LYS A 31 10.898 -3.306 -0.382 1.00 0.00 O ATOM 467 CB LYS A 31 12.619 -6.034 0.403 1.00 0.00 C ATOM 468 CG LYS A 31 11.874 -6.402 -0.904 1.00 0.00 C ATOM 469 CD LYS A 31 12.326 -5.600 -2.136 1.00 0.00 C ATOM 470 CE LYS A 31 13.597 -6.193 -2.736 1.00 0.00 C ATOM 471 NZ LYS A 31 13.326 -7.030 -3.922 1.00 0.00 N ATOM 0 H LYS A 31 13.081 -5.301 2.732 1.00 0.00 H new ATOM 0 HA LYS A 31 13.138 -3.966 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.685 -6.207 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.292 -6.712 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.017 -7.464 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.805 -6.247 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.533 -5.597 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.502 -4.562 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.275 -5.386 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.106 -6.792 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.221 -7.409 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.701 -7.817 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.865 -6.454 -4.655 1.00 0.00 H new ATOM 485 N PHE A 32 10.004 -4.459 1.329 1.00 0.00 N ATOM 486 CA PHE A 32 8.631 -4.090 1.020 1.00 0.00 C ATOM 487 C PHE A 32 8.510 -2.580 0.838 1.00 0.00 C ATOM 488 O PHE A 32 8.094 -2.106 -0.218 1.00 0.00 O ATOM 489 CB PHE A 32 7.690 -4.583 2.123 1.00 0.00 C ATOM 490 CG PHE A 32 6.235 -4.596 1.690 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.840 -5.504 0.695 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.290 -3.698 2.221 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.526 -5.513 0.202 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.965 -3.719 1.743 1.00 0.00 C ATOM 495 CZ PHE A 32 3.584 -4.621 0.733 1.00 0.00 C ATOM 0 H PHE A 32 10.105 -5.040 2.161 1.00 0.00 H new ATOM 0 HA PHE A 32 8.343 -4.567 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.984 -5.589 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.798 -3.944 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.559 -6.207 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.579 -2.997 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.243 -6.202 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.236 -3.037 2.155 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.568 -4.626 0.367 1.00 0.00 H new ATOM 505 N ALA A 33 8.912 -1.822 1.857 1.00 0.00 N ATOM 506 CA ALA A 33 8.812 -0.376 1.822 1.00 0.00 C ATOM 507 C ALA A 33 9.847 0.242 0.875 1.00 0.00 C ATOM 508 O ALA A 33 9.602 1.310 0.330 1.00 0.00 O ATOM 509 CB ALA A 33 8.952 0.159 3.245 1.00 0.00 C ATOM 0 H ALA A 33 9.311 -2.194 2.719 1.00 0.00 H new ATOM 0 HA ALA A 33 7.837 -0.092 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.879 1.246 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.158 -0.252 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.920 -0.135 3.651 1.00 0.00 H new ATOM 515 N ASP A 34 10.980 -0.415 0.644 1.00 0.00 N ATOM 516 CA ASP A 34 12.028 0.062 -0.260 1.00 0.00 C ATOM 517 C ASP A 34 11.547 0.019 -1.705 1.00 0.00 C ATOM 518 O ASP A 34 11.872 0.889 -2.508 1.00 0.00 O ATOM 519 CB ASP A 34 13.299 -0.801 -0.136 1.00 0.00 C ATOM 520 CG ASP A 34 14.508 -0.045 0.405 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.893 1.020 -0.132 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.123 -0.539 1.380 1.00 0.00 O ATOM 0 H ASP A 34 11.201 -1.308 1.085 1.00 0.00 H new ATOM 0 HA ASP A 34 12.261 1.089 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.089 -1.647 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.546 -1.209 -1.116 1.00 0.00 H new ATOM 527 N ASP A 35 10.810 -1.027 -2.060 1.00 0.00 N ATOM 528 CA ASP A 35 10.275 -1.272 -3.392 1.00 0.00 C ATOM 529 C ASP A 35 9.109 -0.334 -3.680 1.00 0.00 C ATOM 530 O ASP A 35 9.009 0.220 -4.774 1.00 0.00 O ATOM 531 CB ASP A 35 9.855 -2.733 -3.472 1.00 0.00 C ATOM 532 CG ASP A 35 9.617 -3.180 -4.909 1.00 0.00 C ATOM 533 OD1 ASP A 35 10.635 -3.418 -5.599 1.00 0.00 O ATOM 534 OD2 ASP A 35 8.457 -3.339 -5.349 1.00 0.00 O ATOM 0 H ASP A 35 10.558 -1.760 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 35 11.033 -1.074 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.626 -3.357 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.945 -2.881 -2.891 1.00 0.00 H new ATOM 539 N LEU A 36 8.279 -0.085 -2.664 1.00 0.00 N ATOM 540 CA LEU A 36 7.224 0.917 -2.712 1.00 0.00 C ATOM 541 C LEU A 36 7.822 2.321 -2.846 1.00 0.00 C ATOM 542 O LEU A 36 7.401 3.068 -3.730 1.00 0.00 O ATOM 543 CB LEU A 36 6.327 0.804 -1.469 1.00 0.00 C ATOM 544 CG LEU A 36 5.456 -0.465 -1.405 1.00 0.00 C ATOM 545 CD1 LEU A 36 4.705 -0.508 -0.069 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.456 -0.542 -2.559 1.00 0.00 C ATOM 0 H LEU A 36 8.326 -0.583 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 36 6.605 0.737 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.958 0.838 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.674 1.676 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 36 6.122 -1.323 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.090 -1.407 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.422 -0.520 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.068 0.372 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.866 -1.454 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.794 0.323 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.994 -0.550 -3.507 1.00 0.00 H new ATOM 558 N ASN A 37 8.825 2.684 -2.033 1.00 0.00 N ATOM 559 CA ASN A 37 9.480 3.990 -2.108 1.00 0.00 C ATOM 560 C ASN A 37 10.185 4.180 -3.459 1.00 0.00 C ATOM 561 O ASN A 37 10.377 5.318 -3.896 1.00 0.00 O ATOM 562 CB ASN A 37 10.509 4.138 -0.972 1.00 0.00 C ATOM 563 CG ASN A 37 9.951 4.571 0.383 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.029 5.374 0.507 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.522 4.051 1.453 1.00 0.00 N ATOM 0 H ASN A 37 9.202 2.077 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 37 8.709 4.753 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.020 3.184 -0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.261 4.863 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.198 4.316 2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.287 3.385 1.350 1.00 0.00 H new ATOM 572 N GLN A 38 10.574 3.092 -4.131 1.00 0.00 N ATOM 573 CA GLN A 38 11.146 3.108 -5.462 1.00 0.00 C ATOM 574 C GLN A 38 10.090 3.520 -6.476 1.00 0.00 C ATOM 575 O GLN A 38 10.332 4.434 -7.261 1.00 0.00 O ATOM 576 CB GLN A 38 11.704 1.718 -5.794 1.00 0.00 C ATOM 577 CG GLN A 38 13.229 1.700 -5.769 1.00 0.00 C ATOM 578 CD GLN A 38 13.908 2.441 -6.911 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.295 3.173 -7.680 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.206 2.243 -7.037 1.00 0.00 N ATOM 0 H GLN A 38 10.493 2.152 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 38 11.959 3.833 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.320 0.991 -5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.353 1.411 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.565 2.132 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.564 0.663 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.694 1.629 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.722 2.704 -7.787 1.00 0.00 H new ATOM 589 N MET A 39 8.920 2.870 -6.451 1.00 0.00 N ATOM 590 CA MET A 39 7.879 3.069 -7.447 1.00 0.00 C ATOM 591 C MET A 39 7.502 4.538 -7.572 1.00 0.00 C ATOM 592 O MET A 39 7.326 5.028 -8.686 1.00 0.00 O ATOM 593 CB MET A 39 6.637 2.267 -7.062 1.00 0.00 C ATOM 594 CG MET A 39 6.844 0.764 -7.202 1.00 0.00 C ATOM 595 SD MET A 39 5.797 -0.263 -6.133 1.00 0.00 S ATOM 596 CE MET A 39 4.163 0.523 -6.262 1.00 0.00 C ATOM 0 H MET A 39 8.675 2.189 -5.732 1.00 0.00 H new ATOM 0 HA MET A 39 8.266 2.728 -8.407 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.364 2.498 -6.032 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.801 2.575 -7.690 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.662 0.483 -8.239 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.888 0.536 -6.988 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.791 0.754 -5.264 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.246 1.443 -6.840 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.471 -0.156 -6.759 1.00 0.00 H new ATOM 606 N THR A 40 7.381 5.233 -6.442 1.00 0.00 N ATOM 607 CA THR A 40 6.933 6.611 -6.392 1.00 0.00 C ATOM 608 C THR A 40 8.101 7.610 -6.289 1.00 0.00 C ATOM 609 O THR A 40 7.836 8.790 -6.072 1.00 0.00 O ATOM 610 CB THR A 40 5.837 6.698 -5.310 1.00 0.00 C ATOM 611 OG1 THR A 40 5.063 7.882 -5.391 1.00 0.00 O ATOM 612 CG2 THR A 40 6.369 6.488 -3.890 1.00 0.00 C ATOM 0 H THR A 40 7.597 4.842 -5.525 1.00 0.00 H new ATOM 0 HA THR A 40 6.477 6.925 -7.331 1.00 0.00 H new ATOM 0 HB THR A 40 5.172 5.863 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.216 8.428 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.546 6.562 -3.179 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.826 5.501 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.114 7.251 -3.664 1.00 0.00 H new ATOM 620 N GLY A 41 9.364 7.203 -6.477 1.00 0.00 N ATOM 621 CA GLY A 41 10.469 8.150 -6.651 1.00 0.00 C ATOM 622 C GLY A 41 10.801 8.957 -5.392 1.00 0.00 C ATOM 623 O GLY A 41 11.239 10.107 -5.486 1.00 0.00 O ATOM 0 H GLY A 41 9.644 6.223 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.358 7.602 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.219 8.840 -7.457 1.00 0.00 H new ATOM 627 N PHE A 42 10.572 8.383 -4.205 1.00 0.00 N ATOM 628 CA PHE A 42 10.866 9.018 -2.925 1.00 0.00 C ATOM 629 C PHE A 42 12.296 9.580 -2.916 1.00 0.00 C ATOM 630 O PHE A 42 13.260 8.857 -3.168 1.00 0.00 O ATOM 631 CB PHE A 42 10.644 8.012 -1.786 1.00 0.00 C ATOM 632 CG PHE A 42 11.448 8.325 -0.545 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.236 9.522 0.169 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.508 7.472 -0.186 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.104 9.872 1.206 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.336 7.796 0.894 1.00 0.00 C ATOM 637 CZ PHE A 42 13.125 8.992 1.596 1.00 0.00 C ATOM 0 H PHE A 42 10.171 7.450 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 42 10.188 9.858 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.585 7.993 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.905 7.013 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.406 10.165 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.683 6.565 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.989 10.821 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.134 7.129 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.752 9.237 2.441 1.00 0.00 H new ATOM 647 N THR A 43 12.448 10.856 -2.558 1.00 0.00 N ATOM 648 CA THR A 43 13.726 11.546 -2.501 1.00 0.00 C ATOM 649 C THR A 43 13.781 12.224 -1.132 1.00 0.00 C ATOM 650 O THR A 43 12.839 12.901 -0.728 1.00 0.00 O ATOM 651 CB THR A 43 13.829 12.479 -3.718 1.00 0.00 C ATOM 652 OG1 THR A 43 13.830 11.706 -4.908 1.00 0.00 O ATOM 653 CG2 THR A 43 15.114 13.308 -3.730 1.00 0.00 C ATOM 0 H THR A 43 11.661 11.449 -2.294 1.00 0.00 H new ATOM 0 HA THR A 43 14.599 10.898 -2.574 1.00 0.00 H new ATOM 0 HB THR A 43 12.974 13.152 -3.658 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.960 11.266 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.127 13.946 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.156 13.928 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.977 12.642 -3.751 1.00 0.00 H new ATOM 661 N LYS A 44 14.839 11.962 -0.360 1.00 0.00 N ATOM 662 CA LYS A 44 15.107 12.605 0.920 1.00 0.00 C ATOM 663 C LYS A 44 15.400 14.095 0.710 1.00 0.00 C ATOM 664 O LYS A 44 15.859 14.467 -0.372 1.00 0.00 O ATOM 665 CB LYS A 44 16.290 11.890 1.604 1.00 0.00 C ATOM 666 CG LYS A 44 15.799 10.777 2.530 1.00 0.00 C ATOM 667 CD LYS A 44 16.712 10.428 3.701 1.00 0.00 C ATOM 668 CE LYS A 44 16.865 11.585 4.693 1.00 0.00 C ATOM 669 NZ LYS A 44 17.770 11.245 5.802 1.00 0.00 N ATOM 0 H LYS A 44 15.549 11.277 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 44 14.232 12.529 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.953 11.471 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.874 12.612 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.826 11.066 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.646 9.877 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.312 9.558 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.694 10.148 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.246 12.462 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.887 11.852 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.845 12.055 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.394 10.424 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.711 11.015 5.424 1.00 0.00 H new ATOM 683 N PRO A 45 15.238 14.911 1.761 1.00 0.00 N ATOM 684 CA PRO A 45 14.934 14.455 3.108 1.00 0.00 C ATOM 685 C PRO A 45 13.460 14.070 3.245 1.00 0.00 C ATOM 686 O PRO A 45 12.594 14.705 2.648 1.00 0.00 O ATOM 687 CB PRO A 45 15.282 15.624 4.000 1.00 0.00 C ATOM 688 CG PRO A 45 14.943 16.834 3.127 1.00 0.00 C ATOM 689 CD PRO A 45 15.389 16.357 1.741 1.00 0.00 C ATOM 0 HA PRO A 45 15.496 13.559 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.701 15.616 4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.334 15.615 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.880 17.073 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.479 17.729 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.779 16.805 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.422 16.641 1.542 1.00 0.00 H new ATOM 697 N ALA A 46 13.183 12.959 3.937 1.00 0.00 N ATOM 698 CA ALA A 46 11.807 12.516 4.069 1.00 0.00 C ATOM 699 C ALA A 46 11.087 13.322 5.156 1.00 0.00 C ATOM 700 O ALA A 46 11.463 13.252 6.332 1.00 0.00 O ATOM 701 CB ALA A 46 11.693 11.017 4.319 1.00 0.00 C ATOM 0 H ALA A 46 13.877 12.371 4.399 1.00 0.00 H new ATOM 0 HA ALA A 46 11.315 12.702 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.642 10.742 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.140 10.474 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.216 10.761 5.241 1.00 0.00 H new ATOM 707 N SER A 47 10.032 14.040 4.781 1.00 0.00 N ATOM 708 CA SER A 47 9.247 14.882 5.667 1.00 0.00 C ATOM 709 C SER A 47 8.604 14.089 6.801 1.00 0.00 C ATOM 710 O SER A 47 8.554 14.581 7.928 1.00 0.00 O ATOM 711 CB SER A 47 8.188 15.617 4.846 1.00 0.00 C ATOM 712 OG SER A 47 8.819 16.455 3.899 1.00 0.00 O ATOM 0 H SER A 47 9.692 14.049 3.819 1.00 0.00 H new ATOM 0 HA SER A 47 9.916 15.603 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.544 14.899 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.551 16.209 5.503 1.00 0.00 H new ATOM 0 HG SER A 47 8.138 16.924 3.372 1.00 0.00 H new ATOM 718 N ARG A 48 8.156 12.861 6.539 1.00 0.00 N ATOM 719 CA ARG A 48 7.588 11.982 7.553 1.00 0.00 C ATOM 720 C ARG A 48 7.879 10.532 7.198 1.00 0.00 C ATOM 721 O ARG A 48 8.248 10.242 6.057 1.00 0.00 O ATOM 722 CB ARG A 48 6.077 12.240 7.710 1.00 0.00 C ATOM 723 CG ARG A 48 5.307 12.002 6.402 1.00 0.00 C ATOM 724 CD ARG A 48 3.805 11.820 6.629 1.00 0.00 C ATOM 725 NE ARG A 48 3.015 12.923 6.072 1.00 0.00 N ATOM 726 CZ ARG A 48 2.284 13.836 6.720 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.368 13.996 8.035 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.461 14.599 6.014 1.00 0.00 N ATOM 0 H ARG A 48 8.179 12.448 5.607 1.00 0.00 H new ATOM 0 HA ARG A 48 8.053 12.195 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.678 11.589 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.918 13.266 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.470 12.845 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.706 11.117 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.483 10.882 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.609 11.741 7.698 1.00 0.00 H new ATOM 0 HE ARG A 48 3.024 13.004 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.004 13.414 8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.797 14.701 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.398 14.481 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.891 15.304 6.482 1.00 0.00 H new ATOM 742 N GLU A 49 7.644 9.635 8.145 1.00 0.00 N ATOM 743 CA GLU A 49 7.857 8.202 8.053 1.00 0.00 C ATOM 744 C GLU A 49 6.583 7.517 8.538 1.00 0.00 C ATOM 745 O GLU A 49 6.393 7.292 9.738 1.00 0.00 O ATOM 746 CB GLU A 49 9.056 7.783 8.907 1.00 0.00 C ATOM 747 CG GLU A 49 10.407 8.159 8.287 1.00 0.00 C ATOM 748 CD GLU A 49 11.585 8.072 9.270 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.424 7.680 10.453 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.710 8.440 8.852 1.00 0.00 O ATOM 0 H GLU A 49 7.276 9.909 9.056 1.00 0.00 H new ATOM 0 HA GLU A 49 8.074 7.913 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.973 8.248 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.023 6.705 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.603 7.502 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.347 9.174 7.895 1.00 0.00 H new ATOM 757 N LEU A 50 5.699 7.199 7.596 1.00 0.00 N ATOM 758 CA LEU A 50 4.591 6.285 7.865 1.00 0.00 C ATOM 759 C LEU A 50 5.162 4.879 7.951 1.00 0.00 C ATOM 760 O LEU A 50 6.271 4.619 7.487 1.00 0.00 O ATOM 761 CB LEU A 50 3.529 6.308 6.754 1.00 0.00 C ATOM 762 CG LEU A 50 3.046 7.668 6.237 1.00 0.00 C ATOM 763 CD1 LEU A 50 1.944 7.445 5.191 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.514 8.553 7.362 1.00 0.00 C ATOM 0 H LEU A 50 5.727 7.559 6.642 1.00 0.00 H new ATOM 0 HA LEU A 50 4.108 6.595 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.925 5.751 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.658 5.762 7.116 1.00 0.00 H new ATOM 0 HG LEU A 50 3.898 8.182 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.595 8.408 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.342 6.858 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.112 6.910 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.183 9.506 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.674 8.057 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.304 8.728 8.092 1.00 0.00 H new ATOM 776 N SER A 51 4.375 3.942 8.459 1.00 0.00 N ATOM 777 CA SER A 51 4.750 2.540 8.572 1.00 0.00 C ATOM 778 C SER A 51 3.654 1.667 7.987 1.00 0.00 C ATOM 779 O SER A 51 2.507 2.112 7.853 1.00 0.00 O ATOM 780 CB SER A 51 5.005 2.225 10.048 1.00 0.00 C ATOM 781 OG SER A 51 6.090 2.976 10.568 1.00 0.00 O ATOM 0 H SER A 51 3.438 4.139 8.812 1.00 0.00 H new ATOM 0 HA SER A 51 5.661 2.336 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.106 2.438 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.212 1.161 10.162 1.00 0.00 H new ATOM 0 HG SER A 51 6.805 3.023 9.900 1.00 0.00 H new ATOM 787 N VAL A 52 4.011 0.437 7.632 1.00 0.00 N ATOM 788 CA VAL A 52 3.104 -0.574 7.140 1.00 0.00 C ATOM 789 C VAL A 52 3.298 -1.796 8.032 1.00 0.00 C ATOM 790 O VAL A 52 4.404 -2.025 8.530 1.00 0.00 O ATOM 791 CB VAL A 52 3.415 -0.855 5.658 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.422 -1.862 5.058 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.409 0.408 4.782 1.00 0.00 C ATOM 0 H VAL A 52 4.977 0.113 7.684 1.00 0.00 H new ATOM 0 HA VAL A 52 2.060 -0.264 7.180 1.00 0.00 H new ATOM 0 HB VAL A 52 4.424 -1.268 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.670 -2.038 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.480 -2.802 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.411 -1.462 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.635 0.137 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.426 0.877 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.161 1.107 5.147 1.00 0.00 H new ATOM 803 N THR A 53 2.241 -2.579 8.230 1.00 0.00 N ATOM 804 CA THR A 53 2.313 -3.862 8.905 1.00 0.00 C ATOM 805 C THR A 53 1.475 -4.878 8.108 1.00 0.00 C ATOM 806 O THR A 53 0.514 -4.496 7.430 1.00 0.00 O ATOM 807 CB THR A 53 1.877 -3.701 10.375 1.00 0.00 C ATOM 808 OG1 THR A 53 0.589 -3.128 10.503 1.00 0.00 O ATOM 809 CG2 THR A 53 2.820 -2.855 11.243 1.00 0.00 C ATOM 0 H THR A 53 1.301 -2.333 7.921 1.00 0.00 H new ATOM 0 HA THR A 53 3.333 -4.244 8.939 1.00 0.00 H new ATOM 0 HB THR A 53 1.893 -4.730 10.735 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.090 -3.792 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.428 -2.800 12.259 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.809 -3.314 11.259 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.893 -1.850 10.828 1.00 0.00 H new ATOM 817 N PHE A 54 1.857 -6.158 8.156 1.00 0.00 N ATOM 818 CA PHE A 54 1.198 -7.245 7.439 1.00 0.00 C ATOM 819 C PHE A 54 0.124 -7.853 8.330 1.00 0.00 C ATOM 820 O PHE A 54 0.433 -8.220 9.463 1.00 0.00 O ATOM 821 CB PHE A 54 2.233 -8.319 7.069 1.00 0.00 C ATOM 822 CG PHE A 54 3.361 -7.836 6.177 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.067 -7.320 4.904 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.701 -7.902 6.604 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.093 -6.859 4.064 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.730 -7.440 5.765 1.00 0.00 C ATOM 827 CZ PHE A 54 5.424 -6.910 4.500 1.00 0.00 C ATOM 0 H PHE A 54 2.654 -6.471 8.710 1.00 0.00 H new ATOM 0 HA PHE A 54 0.741 -6.860 6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.662 -8.722 7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.720 -9.141 6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.041 -7.278 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.938 -8.308 7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.858 -6.467 3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.758 -7.492 6.093 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.215 -6.542 3.863 1.00 0.00 H new ATOM 837 N PHE A 55 -1.115 -8.000 7.846 1.00 0.00 N ATOM 838 CA PHE A 55 -2.192 -8.528 8.672 1.00 0.00 C ATOM 839 C PHE A 55 -1.815 -9.828 9.404 1.00 0.00 C ATOM 840 O PHE A 55 -1.037 -10.631 8.875 1.00 0.00 O ATOM 841 CB PHE A 55 -3.454 -8.751 7.813 1.00 0.00 C ATOM 842 CG PHE A 55 -4.712 -8.098 8.348 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.769 -6.719 8.628 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.820 -8.909 8.651 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.935 -6.154 9.167 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.970 -8.346 9.224 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.035 -6.969 9.476 1.00 0.00 C ATOM 0 H PHE A 55 -1.389 -7.761 6.893 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.390 -7.783 9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.264 -8.372 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.629 -9.823 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.912 -6.094 8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.786 -9.968 8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.986 -5.090 9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.810 -8.977 9.472 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.927 -6.537 9.906 1.00 0.00 H new ATOM 857 N PRO A 56 -2.445 -10.104 10.558 1.00 0.00 N ATOM 858 CA PRO A 56 -3.283 -9.192 11.331 1.00 0.00 C ATOM 859 C PRO A 56 -2.496 -8.141 12.136 1.00 0.00 C ATOM 860 O PRO A 56 -3.082 -7.523 13.027 1.00 0.00 O ATOM 861 CB PRO A 56 -4.081 -10.108 12.259 1.00 0.00 C ATOM 862 CG PRO A 56 -3.025 -11.142 12.617 1.00 0.00 C ATOM 863 CD PRO A 56 -2.320 -11.362 11.274 1.00 0.00 C ATOM 0 HA PRO A 56 -3.906 -8.593 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.457 -9.581 13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.942 -10.553 11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.340 -10.776 13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.468 -12.061 13.000 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.273 -11.628 11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.782 -12.178 10.718 1.00 0.00 H new ATOM 871 N ASP A 57 -1.199 -7.909 11.899 1.00 0.00 N ATOM 872 CA ASP A 57 -0.561 -6.713 12.428 1.00 0.00 C ATOM 873 C ASP A 57 -1.139 -5.534 11.642 1.00 0.00 C ATOM 874 O ASP A 57 -0.866 -5.392 10.448 1.00 0.00 O ATOM 875 CB ASP A 57 0.966 -6.721 12.271 1.00 0.00 C ATOM 876 CG ASP A 57 1.759 -7.547 13.271 1.00 0.00 C ATOM 877 OD1 ASP A 57 1.409 -7.522 14.474 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.861 -8.025 12.913 1.00 0.00 O ATOM 0 H ASP A 57 -0.589 -8.521 11.357 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.756 -6.651 13.499 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.202 -7.083 11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.318 -5.691 12.328 1.00 0.00 H new ATOM 883 N LEU A 58 -1.935 -4.674 12.282 1.00 0.00 N ATOM 884 CA LEU A 58 -2.511 -3.478 11.663 1.00 0.00 C ATOM 885 C LEU A 58 -2.239 -2.232 12.503 1.00 0.00 C ATOM 886 O LEU A 58 -3.115 -1.386 12.676 1.00 0.00 O ATOM 887 CB LEU A 58 -3.992 -3.696 11.306 1.00 0.00 C ATOM 888 CG LEU A 58 -4.950 -3.860 12.503 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.063 -2.806 12.477 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.604 -5.241 12.480 1.00 0.00 C ATOM 0 H LEU A 58 -2.201 -4.791 13.260 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.009 -3.295 10.713 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.330 -2.851 10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.069 -4.584 10.678 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.354 -3.737 13.407 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.721 -2.950 13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.622 -1.810 12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.639 -2.907 11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.277 -5.339 13.332 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.169 -5.361 11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.833 -6.010 12.536 1.00 0.00 H new ATOM 902 N ASN A 59 -1.027 -2.114 13.044 1.00 0.00 N ATOM 903 CA ASN A 59 -0.584 -0.947 13.809 1.00 0.00 C ATOM 904 C ASN A 59 0.138 0.051 12.926 1.00 0.00 C ATOM 905 O ASN A 59 0.269 1.212 13.306 1.00 0.00 O ATOM 906 CB ASN A 59 0.354 -1.380 14.930 1.00 0.00 C ATOM 907 CG ASN A 59 -0.438 -2.171 15.944 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.100 -1.644 16.837 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.485 -3.465 15.718 1.00 0.00 N ATOM 0 H ASN A 59 -0.313 -2.838 12.962 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.472 -0.471 14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.167 -1.985 14.530 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.808 -0.508 15.401 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.082 -4.061 16.291 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.076 -3.873 14.970 1.00 0.00 H new ATOM 916 N GLY A 60 0.605 -0.386 11.760 1.00 0.00 N ATOM 917 CA GLY A 60 1.104 0.518 10.729 1.00 0.00 C ATOM 918 C GLY A 60 0.028 1.543 10.360 1.00 0.00 C ATOM 919 O GLY A 60 -1.165 1.219 10.380 1.00 0.00 O ATOM 0 H GLY A 60 0.648 -1.372 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.998 1.030 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.394 -0.051 9.845 1.00 0.00 H new ATOM 923 N ASP A 61 0.443 2.762 9.996 1.00 0.00 N ATOM 924 CA ASP A 61 -0.449 3.831 9.523 1.00 0.00 C ATOM 925 C ASP A 61 -1.302 3.355 8.352 1.00 0.00 C ATOM 926 O ASP A 61 -2.470 3.717 8.212 1.00 0.00 O ATOM 927 CB ASP A 61 0.354 5.038 9.017 1.00 0.00 C ATOM 928 CG ASP A 61 -0.572 6.238 8.811 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.880 6.941 9.804 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.983 6.501 7.660 1.00 0.00 O ATOM 0 H ASP A 61 1.424 3.039 10.022 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.073 4.108 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.135 5.291 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.850 4.787 8.080 1.00 0.00 H new ATOM 935 N VAL A 62 -0.686 2.521 7.522 1.00 0.00 N ATOM 936 CA VAL A 62 -1.217 1.857 6.353 1.00 0.00 C ATOM 937 C VAL A 62 -1.014 0.372 6.637 1.00 0.00 C ATOM 938 O VAL A 62 -0.150 -0.004 7.433 1.00 0.00 O ATOM 939 CB VAL A 62 -0.425 2.360 5.125 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.831 1.711 3.790 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.448 3.901 5.015 1.00 0.00 C ATOM 0 H VAL A 62 0.292 2.274 7.672 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.269 2.053 6.145 1.00 0.00 H new ATOM 0 HB VAL A 62 0.599 2.036 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.223 2.124 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.674 0.634 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.883 1.915 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.120 4.212 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.478 4.244 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.002 4.336 5.909 1.00 0.00 H new ATOM 951 N VAL A 63 -1.794 -0.488 5.999 1.00 0.00 N ATOM 952 CA VAL A 63 -1.781 -1.913 6.306 1.00 0.00 C ATOM 953 C VAL A 63 -1.581 -2.700 5.002 1.00 0.00 C ATOM 954 O VAL A 63 -1.566 -2.113 3.919 1.00 0.00 O ATOM 955 CB VAL A 63 -3.061 -2.251 7.110 1.00 0.00 C ATOM 956 CG1 VAL A 63 -2.863 -3.548 7.905 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.481 -1.176 8.145 1.00 0.00 C ATOM 0 H VAL A 63 -2.447 -0.223 5.262 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.947 -2.205 6.945 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.840 -2.326 6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.770 -3.773 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.648 -4.367 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.030 -3.427 8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.386 -1.500 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.681 -1.039 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.672 -0.233 7.633 1.00 0.00 H new ATOM 967 N ALA A 64 -1.391 -4.017 5.083 1.00 0.00 N ATOM 968 CA ALA A 64 -1.331 -4.941 3.958 1.00 0.00 C ATOM 969 C ALA A 64 -2.328 -6.081 4.202 1.00 0.00 C ATOM 970 O ALA A 64 -2.719 -6.338 5.344 1.00 0.00 O ATOM 971 CB ALA A 64 0.109 -5.434 3.789 1.00 0.00 C ATOM 0 H ALA A 64 -1.269 -4.488 5.980 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.614 -4.452 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.160 -6.126 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.765 -4.584 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.428 -5.943 4.698 1.00 0.00 H new ATOM 977 N ILE A 65 -2.738 -6.746 3.123 1.00 0.00 N ATOM 978 CA ILE A 65 -3.668 -7.866 3.045 1.00 0.00 C ATOM 979 C ILE A 65 -3.049 -8.872 2.060 1.00 0.00 C ATOM 980 O ILE A 65 -2.236 -8.504 1.202 1.00 0.00 O ATOM 981 CB ILE A 65 -5.071 -7.363 2.607 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.772 -6.550 3.720 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.028 -8.470 2.128 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.291 -7.385 4.907 1.00 0.00 C ATOM 0 H ILE A 65 -2.395 -6.489 2.198 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.820 -8.352 4.009 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.858 -6.722 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.074 -5.803 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.611 -6.009 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.982 -8.028 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.593 -8.980 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.187 -9.187 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.766 -6.727 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.017 -8.114 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.457 -7.905 5.378 1.00 0.00 H new ATOM 996 N ASP A 66 -3.407 -10.147 2.188 1.00 0.00 N ATOM 997 CA ASP A 66 -2.951 -11.216 1.323 1.00 0.00 C ATOM 998 C ASP A 66 -3.600 -11.110 -0.063 1.00 0.00 C ATOM 999 O ASP A 66 -4.805 -10.894 -0.209 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.143 -12.592 1.990 1.00 0.00 C ATOM 1001 CG ASP A 66 -4.478 -12.930 2.675 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -5.447 -12.141 2.658 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -4.562 -14.041 3.254 1.00 0.00 O ATOM 0 H ASP A 66 -4.041 -10.468 2.920 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.878 -11.109 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.968 -13.350 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.357 -12.704 2.737 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.783 -11.281 -1.109 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.148 -11.143 -2.524 1.00 0.00 C ATOM 1010 C TYR A 67 -4.342 -12.019 -2.927 1.00 0.00 C ATOM 1011 O TYR A 67 -5.027 -11.719 -3.906 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.906 -11.460 -3.382 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.180 -12.009 -4.774 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.365 -13.396 -4.940 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.294 -11.152 -5.884 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.719 -13.922 -6.192 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.620 -11.676 -7.150 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.863 -13.060 -7.299 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.257 -13.559 -8.504 1.00 0.00 O ATOM 0 H TYR A 67 -1.802 -11.531 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.473 -10.117 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.316 -10.549 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.291 -12.181 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.233 -14.059 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.131 -10.091 -5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.881 -14.984 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.684 -11.021 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.307 -12.831 -9.159 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.639 -13.088 -2.187 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.825 -13.918 -2.377 1.00 0.00 C ATOM 1031 C ARG A 68 -7.139 -13.131 -2.329 1.00 0.00 C ATOM 1032 O ARG A 68 -8.144 -13.634 -2.830 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.795 -15.038 -1.329 1.00 0.00 C ATOM 1034 CG ARG A 68 -5.888 -14.526 0.120 1.00 0.00 C ATOM 1035 CD ARG A 68 -7.261 -14.772 0.744 1.00 0.00 C ATOM 1036 NE ARG A 68 -7.371 -14.063 2.024 1.00 0.00 N ATOM 1037 CZ ARG A 68 -8.102 -14.384 3.091 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -8.948 -15.413 3.054 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -7.960 -13.657 4.190 1.00 0.00 N ATOM 0 H ARG A 68 -4.046 -13.407 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.795 -14.337 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.621 -15.723 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.874 -15.609 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.125 -15.017 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.671 -13.458 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.043 -14.434 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.412 -15.840 0.898 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.815 -13.212 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.042 -15.966 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.502 -15.648 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.305 -12.876 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.506 -13.879 5.022 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.174 -11.933 -1.740 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.351 -11.067 -1.745 1.00 0.00 C ATOM 1055 C HIS A 69 -8.385 -10.102 -2.947 1.00 0.00 C ATOM 1056 O HIS A 69 -9.359 -9.362 -3.068 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.439 -10.304 -0.409 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.177 -10.990 0.719 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.863 -12.190 0.682 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.360 -10.452 1.967 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.432 -12.365 1.886 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.160 -11.330 2.698 1.00 0.00 N ATOM 0 H HIS A 69 -6.378 -11.535 -1.242 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.228 -11.705 -1.855 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.425 -10.091 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.921 -9.344 -0.597 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.925 -12.825 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.956 -9.515 2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.028 -13.222 2.164 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.382 -10.077 -3.834 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.335 -9.165 -4.978 1.00 0.00 C ATOM 1072 C TYR A 70 -8.353 -9.560 -6.056 1.00 0.00 C ATOM 1073 O TYR A 70 -7.999 -10.124 -7.094 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.908 -9.077 -5.549 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.685 -8.142 -6.737 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.590 -7.111 -7.075 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.538 -8.330 -7.530 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.331 -6.262 -8.166 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.280 -7.505 -8.637 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.169 -6.453 -8.948 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.894 -5.632 -10.001 1.00 0.00 O ATOM 0 H TYR A 70 -6.574 -10.696 -3.775 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.614 -8.172 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.241 -8.765 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.601 -10.080 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.488 -6.974 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.845 -9.121 -7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.019 -5.465 -8.406 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.405 -7.675 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.055 -5.911 -10.423 1.00 0.00 H new ATOM 1091 N SER A 71 -9.622 -9.221 -5.847 1.00 0.00 N ATOM 1092 CA SER A 71 -10.618 -9.192 -6.903 1.00 0.00 C ATOM 1093 C SER A 71 -10.459 -7.923 -7.741 1.00 0.00 C ATOM 1094 O SER A 71 -10.002 -6.885 -7.249 1.00 0.00 O ATOM 1095 CB SER A 71 -12.016 -9.261 -6.284 1.00 0.00 C ATOM 1096 OG SER A 71 -12.998 -9.468 -7.280 1.00 0.00 O ATOM 0 H SER A 71 -9.986 -8.957 -4.932 1.00 0.00 H new ATOM 0 HA SER A 71 -10.479 -10.051 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.056 -10.070 -5.554 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.226 -8.336 -5.747 1.00 0.00 H new ATOM 0 HG SER A 71 -13.666 -8.752 -7.234 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.940 -7.971 -8.986 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.052 -6.811 -9.860 1.00 0.00 C ATOM 1104 C ALA A 72 -12.007 -5.739 -9.313 1.00 0.00 C ATOM 1105 O ALA A 72 -11.969 -4.615 -9.816 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.464 -7.251 -11.268 1.00 0.00 C ATOM 0 H ALA A 72 -11.267 -8.835 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.068 -6.344 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.545 -6.376 -11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.713 -7.931 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.427 -7.759 -11.223 1.00 0.00 H new ATOM 1112 N SER A 73 -12.787 -6.009 -8.257 1.00 0.00 N ATOM 1113 CA SER A 73 -13.474 -4.965 -7.495 1.00 0.00 C ATOM 1114 C SER A 73 -12.476 -3.871 -7.103 1.00 0.00 C ATOM 1115 O SER A 73 -12.713 -2.675 -7.264 1.00 0.00 O ATOM 1116 CB SER A 73 -14.105 -5.542 -6.213 1.00 0.00 C ATOM 1117 OG SER A 73 -14.428 -6.916 -6.328 1.00 0.00 O ATOM 0 H SER A 73 -12.957 -6.953 -7.911 1.00 0.00 H new ATOM 0 HA SER A 73 -14.262 -4.551 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.415 -5.405 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.008 -4.980 -5.974 1.00 0.00 H new ATOM 0 HG SER A 73 -14.823 -7.231 -5.488 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.309 -4.295 -6.625 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.286 -3.464 -6.025 1.00 0.00 C ATOM 1125 C PHE A 74 -9.315 -2.928 -7.082 1.00 0.00 C ATOM 1126 O PHE A 74 -8.193 -2.568 -6.741 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.588 -4.295 -4.938 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.532 -4.976 -3.944 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.397 -4.231 -3.111 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.558 -6.380 -3.861 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.230 -4.884 -2.176 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.431 -7.028 -2.969 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.261 -6.283 -2.121 1.00 0.00 C ATOM 0 H PHE A 74 -11.044 -5.280 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.728 -2.579 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.978 -5.059 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.908 -3.647 -4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.421 -3.154 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.902 -6.965 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.844 -4.304 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.462 -8.107 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.921 -6.785 -1.429 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.692 -2.884 -8.369 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.811 -2.511 -9.481 1.00 0.00 C ATOM 1145 C LYS A 75 -8.148 -1.161 -9.205 1.00 0.00 C ATOM 1146 O LYS A 75 -6.938 -1.021 -9.378 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.603 -2.582 -10.813 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.497 -1.405 -11.796 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.121 -1.196 -12.444 1.00 0.00 C ATOM 1150 CE LYS A 75 -8.016 -1.998 -13.734 1.00 0.00 C ATOM 1151 NZ LYS A 75 -8.577 -1.293 -14.900 1.00 0.00 N ATOM 0 H LYS A 75 -10.640 -3.112 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.988 -3.219 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.286 -3.482 -11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.656 -2.712 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.232 -1.550 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.772 -0.491 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.967 -0.137 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.336 -1.502 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.968 -2.230 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.535 -2.948 -13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.477 -1.888 -15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.584 -1.094 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.067 -0.398 -15.043 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.915 -0.170 -8.755 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.400 1.173 -8.504 1.00 0.00 C ATOM 1167 C LYS A 76 -7.913 1.349 -7.059 1.00 0.00 C ATOM 1168 O LYS A 76 -7.765 2.479 -6.598 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.439 2.199 -8.953 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.679 2.115 -10.472 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.144 3.465 -11.007 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.188 3.527 -12.531 1.00 0.00 C ATOM 1173 NZ LYS A 76 -10.651 4.856 -12.965 1.00 0.00 N ATOM 0 H LYS A 76 -9.909 -0.276 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.503 1.340 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.376 2.028 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.102 3.202 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.761 1.812 -10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.428 1.353 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.137 3.682 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.477 4.244 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.198 3.325 -12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.855 2.756 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.679 4.892 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.604 5.032 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.998 5.584 -12.611 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.627 0.248 -6.364 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.107 0.218 -5.007 1.00 0.00 C ATOM 1189 C GLY A 77 -8.226 -0.030 -4.002 1.00 0.00 C ATOM 1190 O GLY A 77 -9.412 -0.039 -4.355 1.00 0.00 O ATOM 0 H GLY A 77 -7.759 -0.686 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.354 -0.565 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.613 1.163 -4.781 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.861 -0.282 -2.743 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.788 -0.653 -1.690 1.00 0.00 C ATOM 1196 C ALA A 78 -8.280 -0.184 -0.327 1.00 0.00 C ATOM 1197 O ALA A 78 -7.172 0.347 -0.182 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.951 -2.172 -1.696 1.00 0.00 C ATOM 0 H ALA A 78 -6.892 -0.231 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.750 -0.173 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.646 -2.467 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.340 -2.492 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.984 -2.642 -1.521 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.114 -0.394 0.682 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.896 -0.043 2.066 1.00 0.00 C ATOM 1206 C LYS A 79 -9.712 -1.016 2.915 1.00 0.00 C ATOM 1207 O LYS A 79 -10.665 -1.632 2.445 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.322 1.416 2.296 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.692 1.743 1.678 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.425 2.869 2.404 1.00 0.00 C ATOM 1211 CE LYS A 79 -12.892 2.483 2.602 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.156 2.090 4.009 1.00 0.00 N ATOM 0 H LYS A 79 -10.018 -0.844 0.539 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.844 -0.119 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.355 1.615 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.569 2.080 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.555 2.022 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.312 0.847 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.955 3.059 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.356 3.792 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.532 3.322 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.147 1.658 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.136 1.753 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.502 1.330 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.016 2.912 4.631 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.314 -1.173 4.164 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.011 -1.883 5.203 1.00 0.00 C ATOM 1228 C LEU A 80 -11.118 -0.949 5.704 1.00 0.00 C ATOM 1229 O LEU A 80 -11.433 0.067 5.070 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.963 -2.292 6.277 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.336 -3.609 6.975 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.101 -4.807 6.053 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.508 -3.808 8.245 1.00 0.00 C ATOM 0 H LEU A 80 -8.434 -0.778 4.495 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.490 -2.807 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.985 -2.395 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.878 -1.499 7.020 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.394 -3.546 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.373 -5.725 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.713 -4.702 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.049 -4.848 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.791 -4.747 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.449 -3.836 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.693 -2.983 8.933 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.690 -1.289 6.857 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.748 -0.559 7.548 1.00 0.00 C ATOM 1247 C LEU A 81 -12.539 0.950 7.453 1.00 0.00 C ATOM 1248 O LEU A 81 -13.347 1.655 6.850 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.826 -1.043 9.004 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.240 -0.959 9.598 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -15.129 -2.098 9.093 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.168 -1.011 11.126 1.00 0.00 C ATOM 0 H LEU A 81 -11.411 -2.130 7.362 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.703 -0.763 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.479 -2.075 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.147 -0.447 9.614 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.679 -0.014 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -16.122 -2.007 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.207 -2.044 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.692 -3.055 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.175 -0.951 11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.703 -1.947 11.437 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.575 -0.172 11.491 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.411 1.435 7.976 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.065 2.855 7.903 1.00 0.00 C ATOM 1266 C HIS A 82 -9.593 3.112 7.569 1.00 0.00 C ATOM 1267 O HIS A 82 -9.187 4.271 7.471 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.526 3.573 9.180 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.785 3.214 10.443 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -10.150 4.106 11.270 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.748 1.991 11.051 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.706 3.437 12.344 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -10.022 2.130 12.245 1.00 0.00 N ATOM 0 H HIS A 82 -10.718 0.861 8.457 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.606 3.282 7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.435 4.648 9.022 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.585 3.361 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.196 1.081 10.680 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.172 3.882 13.170 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.782 1.390 12.905 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.775 2.070 7.374 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.365 2.224 7.030 1.00 0.00 C ATOM 1283 C LYS A 83 -7.067 1.718 5.631 1.00 0.00 C ATOM 1284 O LYS A 83 -7.711 0.770 5.197 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.504 1.484 8.047 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.542 2.256 9.366 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.171 2.250 10.033 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.816 0.902 10.643 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.663 1.050 11.554 1.00 0.00 N ATOM 0 H LYS A 83 -9.077 1.099 7.451 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.129 3.288 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.875 0.469 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.479 1.400 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.859 3.283 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.279 1.809 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.413 2.521 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.148 3.013 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.672 0.503 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.578 0.188 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.583 0.204 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.792 1.163 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.800 1.888 12.155 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.074 2.284 4.938 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.700 1.848 3.603 1.00 0.00 C ATOM 1305 C PRO A 84 -4.963 0.507 3.670 1.00 0.00 C ATOM 1306 O PRO A 84 -4.303 0.207 4.669 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.820 2.969 3.067 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.192 3.579 4.317 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.193 3.326 5.433 1.00 0.00 C ATOM 0 HA PRO A 84 -6.557 1.676 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.060 2.588 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.404 3.705 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.230 3.117 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.011 4.646 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.690 3.012 6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.752 4.231 5.671 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.045 -0.280 2.593 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.474 -1.626 2.517 1.00 0.00 C ATOM 1319 C ILE A 85 -3.690 -1.758 1.212 1.00 0.00 C ATOM 1320 O ILE A 85 -3.964 -1.051 0.235 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.565 -2.724 2.663 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.453 -2.861 1.398 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.401 -2.497 3.912 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.111 -4.112 0.578 1.00 0.00 C ATOM 0 H ILE A 85 -5.518 0.006 1.736 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.791 -1.776 3.353 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.044 -3.675 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.501 -2.900 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.331 -1.976 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.157 -3.278 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.757 -2.525 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.890 -1.525 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.760 -4.162 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.071 -4.063 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.259 -5.001 1.191 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.789 -2.732 1.152 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.070 -3.123 -0.054 1.00 0.00 C ATOM 1338 C VAL A 86 -2.082 -4.639 -0.179 1.00 0.00 C ATOM 1339 O VAL A 86 -2.462 -5.332 0.763 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.630 -2.581 -0.051 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.615 -1.054 -0.079 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.247 -3.083 1.100 1.00 0.00 C ATOM 0 H VAL A 86 -2.531 -3.288 1.967 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.573 -2.688 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.189 -2.980 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.416 -0.700 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.117 -0.702 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.133 -0.669 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.242 -2.646 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.199 -2.791 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.322 -4.169 1.053 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.636 -5.156 -1.319 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.389 -6.574 -1.502 1.00 0.00 C ATOM 1354 C TRP A 87 0.074 -6.835 -1.162 1.00 0.00 C ATOM 1355 O TRP A 87 0.947 -6.129 -1.678 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.711 -6.961 -2.950 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.050 -6.482 -3.423 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.254 -5.574 -4.404 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.372 -6.771 -2.867 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.607 -5.336 -4.536 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.335 -6.004 -3.584 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.859 -7.563 -1.804 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.699 -6.015 -3.272 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.230 -7.581 -1.486 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.153 -6.816 -2.217 1.00 0.00 C ATOM 0 H TRP A 87 -1.435 -4.594 -2.146 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.022 -7.178 -0.852 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.939 -6.556 -3.604 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.670 -8.046 -3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.478 -5.107 -4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.016 -4.737 -5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.170 -8.163 -1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.394 -5.413 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.578 -8.193 -0.667 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.203 -6.845 -1.968 1.00 0.00 H new ATOM 1376 N HIS A 88 0.345 -7.849 -0.340 1.00 0.00 N ATOM 1377 CA HIS A 88 1.685 -8.388 -0.138 1.00 0.00 C ATOM 1378 C HIS A 88 1.641 -9.895 -0.371 1.00 0.00 C ATOM 1379 O HIS A 88 0.604 -10.544 -0.205 1.00 0.00 O ATOM 1380 CB HIS A 88 2.231 -8.026 1.254 1.00 0.00 C ATOM 1381 CG HIS A 88 1.822 -8.970 2.361 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.670 -9.805 3.059 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.567 -9.124 2.885 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.937 -10.471 3.966 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.647 -10.108 3.877 1.00 0.00 N ATOM 0 H HIS A 88 -0.371 -8.323 0.210 1.00 0.00 H new ATOM 0 HA HIS A 88 2.376 -7.942 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.319 -7.996 1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.895 -7.021 1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.321 -8.586 2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.328 -11.194 4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.127 -10.479 4.428 1.00 0.00 H new ATOM 1393 N ILE A 89 2.794 -10.453 -0.725 1.00 0.00 N ATOM 1394 CA ILE A 89 3.018 -11.872 -0.947 1.00 0.00 C ATOM 1395 C ILE A 89 4.391 -12.117 -0.350 1.00 0.00 C ATOM 1396 O ILE A 89 5.334 -11.419 -0.725 1.00 0.00 O ATOM 1397 CB ILE A 89 2.995 -12.208 -2.458 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.605 -11.952 -3.079 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.435 -13.656 -2.712 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.569 -12.084 -4.606 1.00 0.00 C ATOM 0 H ILE A 89 3.637 -9.898 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 89 2.247 -12.498 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 89 3.707 -11.541 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.891 -12.653 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.274 -10.951 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.408 -13.862 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.450 -13.799 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.760 -14.338 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.558 -11.889 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.256 -11.364 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.867 -13.093 -4.891 1.00 0.00 H new ATOM 1412 N ASN A 90 4.517 -13.067 0.579 1.00 0.00 N ATOM 1413 CA ASN A 90 5.801 -13.460 1.166 1.00 0.00 C ATOM 1414 C ASN A 90 6.587 -12.261 1.714 1.00 0.00 C ATOM 1415 O ASN A 90 7.818 -12.251 1.679 1.00 0.00 O ATOM 1416 CB ASN A 90 6.587 -14.422 0.243 1.00 0.00 C ATOM 1417 CG ASN A 90 7.209 -13.865 -1.038 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.961 -14.363 -2.127 1.00 0.00 O ATOM 1419 ND2 ASN A 90 8.105 -12.898 -0.979 1.00 0.00 N ATOM 0 H ASN A 90 3.723 -13.590 0.949 1.00 0.00 H new ATOM 0 HA ASN A 90 5.601 -14.055 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.388 -14.866 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.914 -15.231 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.572 -12.583 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.330 -12.466 -0.083 1.00 0.00 H new ATOM 1426 N GLN A 91 5.869 -11.254 2.237 1.00 0.00 N ATOM 1427 CA GLN A 91 6.414 -10.026 2.823 1.00 0.00 C ATOM 1428 C GLN A 91 7.124 -9.138 1.788 1.00 0.00 C ATOM 1429 O GLN A 91 7.907 -8.279 2.171 1.00 0.00 O ATOM 1430 CB GLN A 91 7.310 -10.336 4.042 1.00 0.00 C ATOM 1431 CG GLN A 91 6.677 -11.334 5.026 1.00 0.00 C ATOM 1432 CD GLN A 91 7.561 -11.603 6.235 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.113 -11.530 7.374 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.817 -11.953 6.025 1.00 0.00 N ATOM 0 H GLN A 91 4.850 -11.278 2.262 1.00 0.00 H new ATOM 0 HA GLN A 91 5.566 -9.443 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.262 -10.736 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.529 -9.407 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.715 -10.947 5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.479 -12.273 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.178 -12.010 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.426 -12.166 6.815 1.00 0.00 H new ATOM 1443 N ALA A 92 6.865 -9.320 0.490 1.00 0.00 N ATOM 1444 CA ALA A 92 7.511 -8.586 -0.587 1.00 0.00 C ATOM 1445 C ALA A 92 6.450 -8.072 -1.557 1.00 0.00 C ATOM 1446 O ALA A 92 5.275 -8.446 -1.472 1.00 0.00 O ATOM 1447 CB ALA A 92 8.515 -9.495 -1.302 1.00 0.00 C ATOM 0 H ALA A 92 6.182 -10.001 0.157 1.00 0.00 H new ATOM 0 HA ALA A 92 8.053 -7.732 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.997 -8.942 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.270 -9.833 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.994 -10.358 -1.716 1.00 0.00 H new ATOM 1453 N THR A 93 6.883 -7.238 -2.496 1.00 0.00 N ATOM 1454 CA THR A 93 6.144 -6.841 -3.685 1.00 0.00 C ATOM 1455 C THR A 93 6.808 -7.593 -4.844 1.00 0.00 C ATOM 1456 O THR A 93 8.013 -7.879 -4.805 1.00 0.00 O ATOM 1457 CB THR A 93 6.048 -5.296 -3.829 1.00 0.00 C ATOM 1458 OG1 THR A 93 6.286 -4.859 -5.153 1.00 0.00 O ATOM 1459 CG2 THR A 93 6.944 -4.496 -2.879 1.00 0.00 C ATOM 0 H THR A 93 7.803 -6.801 -2.445 1.00 0.00 H new ATOM 0 HA THR A 93 5.090 -7.117 -3.647 1.00 0.00 H new ATOM 0 HB THR A 93 5.016 -5.090 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.084 -4.290 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.804 -3.430 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.680 -4.728 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.987 -4.760 -3.054 1.00 0.00 H new ATOM 1467 N THR A 94 6.014 -7.954 -5.849 1.00 0.00 N ATOM 1468 CA THR A 94 6.459 -8.584 -7.080 1.00 0.00 C ATOM 1469 C THR A 94 5.777 -7.849 -8.231 1.00 0.00 C ATOM 1470 O THR A 94 4.825 -7.094 -8.020 1.00 0.00 O ATOM 1471 CB THR A 94 6.135 -10.094 -7.063 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.745 -10.340 -6.907 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.885 -10.820 -5.945 1.00 0.00 C ATOM 0 H THR A 94 5.005 -7.808 -5.823 1.00 0.00 H new ATOM 0 HA THR A 94 7.540 -8.514 -7.197 1.00 0.00 H new ATOM 0 HB THR A 94 6.460 -10.478 -8.030 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.582 -11.306 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.631 -11.880 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.959 -10.701 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.600 -10.397 -4.982 1.00 0.00 H new ATOM 1481 N LYS A 95 6.202 -8.094 -9.475 1.00 0.00 N ATOM 1482 CA LYS A 95 5.666 -7.373 -10.634 1.00 0.00 C ATOM 1483 C LYS A 95 4.135 -7.481 -10.707 1.00 0.00 C ATOM 1484 O LYS A 95 3.466 -6.520 -11.089 1.00 0.00 O ATOM 1485 CB LYS A 95 6.383 -7.862 -11.904 1.00 0.00 C ATOM 1486 CG LYS A 95 6.498 -6.797 -13.007 1.00 0.00 C ATOM 1487 CD LYS A 95 5.375 -6.837 -14.051 1.00 0.00 C ATOM 1488 CE LYS A 95 5.798 -5.945 -15.224 1.00 0.00 C ATOM 1489 NZ LYS A 95 4.843 -5.990 -16.347 1.00 0.00 N ATOM 0 H LYS A 95 6.915 -8.786 -9.705 1.00 0.00 H new ATOM 0 HA LYS A 95 5.866 -6.306 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.383 -8.202 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.849 -8.725 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.510 -5.811 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.454 -6.921 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.204 -7.859 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.439 -6.483 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.895 -4.917 -14.876 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.781 -6.257 -15.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.177 -5.370 -17.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.768 -6.965 -16.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.909 -5.667 -16.022 1.00 0.00 H new ATOM 1503 N THR A 96 3.574 -8.611 -10.273 1.00 0.00 N ATOM 1504 CA THR A 96 2.148 -8.870 -10.140 1.00 0.00 C ATOM 1505 C THR A 96 1.449 -7.831 -9.246 1.00 0.00 C ATOM 1506 O THR A 96 0.464 -7.225 -9.679 1.00 0.00 O ATOM 1507 CB THR A 96 1.989 -10.308 -9.615 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.756 -11.198 -10.415 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.539 -10.791 -9.613 1.00 0.00 C ATOM 0 H THR A 96 4.139 -9.412 -9.990 1.00 0.00 H new ATOM 0 HA THR A 96 1.656 -8.776 -11.108 1.00 0.00 H new ATOM 0 HB THR A 96 2.339 -10.299 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.654 -12.112 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.496 -11.811 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.060 -10.140 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.146 -10.767 -10.629 1.00 0.00 H new ATOM 1517 N THR A 97 1.919 -7.638 -8.013 1.00 0.00 N ATOM 1518 CA THR A 97 1.290 -6.812 -6.981 1.00 0.00 C ATOM 1519 C THR A 97 1.771 -5.356 -7.029 1.00 0.00 C ATOM 1520 O THR A 97 1.175 -4.496 -6.387 1.00 0.00 O ATOM 1521 CB THR A 97 1.603 -7.450 -5.614 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.981 -7.741 -5.549 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.842 -8.766 -5.410 1.00 0.00 C ATOM 0 H THR A 97 2.785 -8.071 -7.692 1.00 0.00 H new ATOM 0 HA THR A 97 0.214 -6.779 -7.153 1.00 0.00 H new ATOM 0 HB THR A 97 1.300 -6.742 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.189 -8.146 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.091 -9.183 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.230 -8.578 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.124 -9.474 -6.189 1.00 0.00 H new ATOM 1531 N PHE A 98 2.787 -5.055 -7.832 1.00 0.00 N ATOM 1532 CA PHE A 98 3.380 -3.739 -8.026 1.00 0.00 C ATOM 1533 C PHE A 98 2.370 -2.823 -8.708 1.00 0.00 C ATOM 1534 O PHE A 98 2.032 -1.763 -8.187 1.00 0.00 O ATOM 1535 CB PHE A 98 4.675 -3.904 -8.840 1.00 0.00 C ATOM 1536 CG PHE A 98 4.926 -2.904 -9.951 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.201 -1.562 -9.640 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.933 -3.327 -11.295 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.570 -0.666 -10.654 1.00 0.00 C ATOM 1540 CE2 PHE A 98 5.316 -2.435 -12.309 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.660 -1.116 -11.982 1.00 0.00 C ATOM 0 H PHE A 98 3.245 -5.769 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 98 3.637 -3.276 -7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.517 -3.860 -8.149 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.674 -4.902 -9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.128 -1.220 -8.618 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.644 -4.337 -11.545 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.784 0.365 -10.415 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.346 -2.764 -13.337 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.996 -0.442 -12.756 1.00 0.00 H new ATOM 1551 N LYS A 99 1.864 -3.244 -9.869 1.00 0.00 N ATOM 1552 CA LYS A 99 0.879 -2.506 -10.655 1.00 0.00 C ATOM 1553 C LYS A 99 -0.324 -2.055 -9.822 1.00 0.00 C ATOM 1554 O LYS A 99 -0.637 -0.867 -9.872 1.00 0.00 O ATOM 1555 CB LYS A 99 0.463 -3.338 -11.872 1.00 0.00 C ATOM 1556 CG LYS A 99 1.433 -3.150 -13.058 1.00 0.00 C ATOM 1557 CD LYS A 99 0.861 -2.185 -14.110 1.00 0.00 C ATOM 1558 CE LYS A 99 1.858 -1.983 -15.258 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.305 -1.128 -16.330 1.00 0.00 N ATOM 0 H LYS A 99 2.136 -4.129 -10.297 1.00 0.00 H new ATOM 0 HA LYS A 99 1.346 -1.586 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.427 -4.392 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.544 -3.054 -12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.386 -2.767 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.634 -4.116 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.077 -2.580 -14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.634 -1.225 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.771 -1.532 -14.870 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.133 -2.952 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.011 -1.018 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.448 -1.570 -16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.066 -0.194 -15.940 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.012 -2.932 -9.067 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.088 -2.473 -8.200 1.00 0.00 C ATOM 1575 C PRO A 100 -1.562 -1.605 -7.060 1.00 0.00 C ATOM 1576 O PRO A 100 -2.240 -0.646 -6.704 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.794 -3.736 -7.704 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.750 -4.837 -7.835 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.890 -4.387 -9.015 1.00 0.00 C ATOM 0 HA PRO A 100 -2.787 -1.830 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.126 -3.625 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.679 -3.956 -8.301 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.159 -4.938 -6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.212 -5.806 -8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.149 -4.687 -8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.233 -4.841 -9.944 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.369 -1.859 -6.513 1.00 0.00 N ATOM 1588 CA ASN A 101 0.127 -1.085 -5.380 1.00 0.00 C ATOM 1589 C ASN A 101 0.280 0.398 -5.729 1.00 0.00 C ATOM 1590 O ASN A 101 -0.010 1.240 -4.887 1.00 0.00 O ATOM 1591 CB ASN A 101 1.462 -1.659 -4.883 1.00 0.00 C ATOM 1592 CG ASN A 101 1.316 -2.421 -3.577 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.296 -1.816 -2.517 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.195 -3.739 -3.628 1.00 0.00 N ATOM 0 H ASN A 101 0.264 -2.590 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.611 -1.160 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.874 -2.323 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.176 -0.846 -4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.082 -4.274 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.215 -4.219 -4.528 1.00 0.00 H new ATOM 1601 N THR A 102 0.649 0.759 -6.968 1.00 0.00 N ATOM 1602 CA THR A 102 0.852 2.172 -7.318 1.00 0.00 C ATOM 1603 C THR A 102 -0.396 3.022 -7.025 1.00 0.00 C ATOM 1604 O THR A 102 -0.291 4.201 -6.682 1.00 0.00 O ATOM 1605 CB THR A 102 1.296 2.358 -8.782 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.234 2.203 -9.711 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.332 1.369 -9.291 1.00 0.00 C ATOM 0 H THR A 102 0.811 0.103 -7.733 1.00 0.00 H new ATOM 0 HA THR A 102 1.662 2.525 -6.680 1.00 0.00 H new ATOM 0 HB THR A 102 1.703 3.368 -8.737 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.026 1.259 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.570 1.594 -10.331 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.236 1.446 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.934 0.357 -9.221 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.580 2.421 -7.162 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.870 3.023 -6.860 1.00 0.00 C ATOM 1617 C TRP A 103 -2.986 3.380 -5.377 1.00 0.00 C ATOM 1618 O TRP A 103 -3.411 4.492 -5.064 1.00 0.00 O ATOM 1619 CB TRP A 103 -3.973 2.047 -7.271 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.204 1.900 -8.739 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.625 1.015 -9.580 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.128 2.674 -9.548 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.195 1.139 -10.833 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.180 2.109 -10.854 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.953 3.782 -9.284 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.089 2.578 -11.820 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.807 4.301 -10.266 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.881 3.695 -11.524 1.00 0.00 C ATOM 0 H TRP A 103 -1.664 1.462 -7.501 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.971 3.953 -7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.734 1.066 -6.861 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.906 2.368 -6.807 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.841 0.321 -9.315 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.922 0.583 -11.643 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.928 4.241 -8.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.175 2.084 -12.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.410 5.171 -10.051 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.553 4.090 -12.272 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.566 2.497 -4.466 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.538 2.817 -3.042 1.00 0.00 C ATOM 1641 C CYS A 104 -1.667 4.053 -2.811 1.00 0.00 C ATOM 1642 O CYS A 104 -2.063 4.949 -2.065 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.047 1.614 -2.228 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.056 2.006 -0.452 1.00 0.00 S ATOM 0 H CYS A 104 -2.242 1.557 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.548 3.044 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.685 0.752 -2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.039 1.341 -2.542 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.478 0.975 0.218 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.533 4.167 -3.513 1.00 0.00 N ATOM 1651 CA LEU A 105 0.362 5.300 -3.325 1.00 0.00 C ATOM 1652 C LEU A 105 -0.351 6.569 -3.807 1.00 0.00 C ATOM 1653 O LEU A 105 -0.293 7.582 -3.123 1.00 0.00 O ATOM 1654 CB LEU A 105 1.722 5.052 -4.019 1.00 0.00 C ATOM 1655 CG LEU A 105 2.472 3.792 -3.544 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.754 3.590 -4.359 1.00 0.00 C ATOM 1657 CD2 LEU A 105 2.831 3.854 -2.058 1.00 0.00 C ATOM 0 H LEU A 105 -0.221 3.491 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 105 0.599 5.431 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.557 4.975 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.360 5.920 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 105 1.795 2.951 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.270 2.696 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.501 3.474 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.404 4.456 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.358 2.943 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.472 4.717 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.920 3.946 -1.467 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.130 6.511 -4.900 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.945 7.644 -5.367 1.00 0.00 C ATOM 1671 C ARG A 106 -3.082 8.029 -4.407 1.00 0.00 C ATOM 1672 O ARG A 106 -3.664 9.103 -4.582 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.551 7.376 -6.758 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.501 7.226 -7.859 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.129 7.201 -9.263 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.428 8.051 -10.243 1.00 0.00 N ATOM 1677 CZ ARG A 106 -0.370 7.685 -10.987 1.00 0.00 C ATOM 1678 NH1 ARG A 106 0.109 6.448 -10.914 1.00 0.00 N ATOM 1679 NH2 ARG A 106 0.235 8.544 -11.799 1.00 0.00 N ATOM 0 H ARG A 106 -1.212 5.679 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.247 8.480 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.154 6.469 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.224 8.194 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.791 8.050 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.938 6.307 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.139 6.174 -9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.167 7.525 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.777 9.001 -10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.326 5.768 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.912 6.178 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.102 9.504 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.036 8.243 -12.354 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.437 7.187 -3.436 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.349 7.560 -2.362 1.00 0.00 C ATOM 1695 C CYS A 107 -3.593 8.212 -1.199 1.00 0.00 C ATOM 1696 O CYS A 107 -4.160 9.080 -0.539 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.101 6.317 -1.870 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.591 6.033 -2.846 1.00 0.00 S ATOM 0 H CYS A 107 -3.098 6.227 -3.375 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.062 8.287 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.450 5.445 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.368 6.441 -0.820 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.203 4.974 -2.406 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.349 7.796 -0.932 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.516 8.364 0.136 1.00 0.00 C ATOM 1706 C LEU A 108 -0.902 9.699 -0.284 1.00 0.00 C ATOM 1707 O LEU A 108 -0.466 10.466 0.571 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.399 7.391 0.556 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.922 6.030 1.049 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.213 5.023 1.196 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.656 6.146 2.386 1.00 0.00 C ATOM 0 H LEU A 108 -1.889 7.051 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.172 8.534 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.268 7.230 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.194 7.851 1.346 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.625 5.682 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.188 4.072 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.699 4.879 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.940 5.397 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.007 5.161 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.977 6.542 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.508 6.817 2.276 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.883 10.003 -1.581 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.647 11.332 -2.094 1.00 0.00 C ATOM 1725 C TRP A 109 -1.675 12.298 -1.507 1.00 0.00 C ATOM 1726 O TRP A 109 -2.801 11.908 -1.181 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.787 11.285 -3.614 1.00 0.00 C ATOM 1728 CG TRP A 109 0.262 10.598 -4.420 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.306 9.857 -3.983 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.300 10.536 -5.866 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.009 9.371 -5.073 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.425 9.761 -6.260 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.550 11.023 -6.878 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.701 9.505 -7.608 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.298 10.743 -8.227 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.816 9.971 -8.591 1.00 0.00 C ATOM 0 H TRP A 109 -1.036 9.309 -2.313 1.00 0.00 H new ATOM 0 HA TRP A 109 0.350 11.675 -1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.740 10.808 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.853 12.313 -3.969 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.552 9.673 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.850 8.798 -5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.408 11.621 -6.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.587 8.954 -7.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.963 11.122 -8.989 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.992 9.735 -9.630 1.00 0.00 H new ATOM 1747 N SER A 110 -1.306 13.571 -1.443 1.00 0.00 N ATOM 1748 CA SER A 110 -2.108 14.632 -0.864 1.00 0.00 C ATOM 1749 C SER A 110 -2.189 15.814 -1.834 1.00 0.00 C ATOM 1750 O SER A 110 -1.500 15.833 -2.855 1.00 0.00 O ATOM 1751 CB SER A 110 -1.511 14.961 0.501 1.00 0.00 C ATOM 1752 OG SER A 110 -1.660 13.846 1.371 1.00 0.00 O ATOM 0 H SER A 110 -0.411 13.900 -1.805 1.00 0.00 H new ATOM 0 HA SER A 110 -3.144 14.334 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.456 15.214 0.396 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.007 15.834 0.925 1.00 0.00 H new ATOM 0 HG SER A 110 -1.274 14.060 2.246 1.00 0.00 H new