USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 39:sc= 1.27 USER MOD Set 1.2: A 64 MET CE :methyl -130:sc= -6.68! (180deg=-11.4!) USER MOD Set 2.1: A 14 MET CE :methyl 148:sc= -0.989 (180deg=-2.43!) USER MOD Set 2.2: A 48 SER OG : rot 170:sc= -0.21 USER MOD Set 3.1: A 32 MET CE :methyl -136:sc= -2.29 (180deg=-4.08!) USER MOD Set 3.2: A 84 SER OG : rot -17:sc= -0.059 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -44:sc= 0.487! USER MOD Single : A 13 ASN : amide:sc= 0.694 K(o=0.69,f=-0.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.025) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00145 X(o=-0.0015,f=-0.084) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -3:sc= -3.62! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -123:sc= -5.67! (180deg=-7.09!) USER MOD Single : A 61 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.69 K(o=-1.7,f=-6!) USER MOD Single : A 76 SER OG : rot 102:sc= -0.543 USER MOD Single : A 81 GLN : amide:sc= -3.02! C(o=-3!,f=-4.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.46) USER MOD Single : A 97 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-4.3!) USER MOD Single : A 100 SER OG : rot 121:sc= 1.06 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.331 13.544 -7.293 1.00 0.00 N ATOM 79 CA LYS A 9 0.550 12.320 -7.357 1.00 0.00 C ATOM 80 C LYS A 9 1.488 11.134 -7.591 1.00 0.00 C ATOM 81 O LYS A 9 1.637 10.669 -8.720 1.00 0.00 O ATOM 82 CB LYS A 9 -0.557 12.445 -8.406 1.00 0.00 C ATOM 83 CG LYS A 9 -1.306 13.770 -8.256 1.00 0.00 C ATOM 84 CD LYS A 9 -2.811 13.574 -8.454 1.00 0.00 C ATOM 85 CE LYS A 9 -3.354 14.536 -9.513 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.652 15.102 -9.082 1.00 0.00 N ATOM 0 HA LYS A 9 0.041 12.143 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.126 12.378 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.256 11.615 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.117 14.189 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.930 14.489 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.011 12.546 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.330 13.737 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.638 15.340 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.476 14.012 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.007 15.753 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.337 14.332 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.526 15.620 -8.189 1.00 0.00 H new ATOM 100 N PRO A 10 2.113 10.666 -6.477 1.00 0.00 N ATOM 101 CA PRO A 10 3.032 9.543 -6.550 1.00 0.00 C ATOM 102 C PRO A 10 2.274 8.225 -6.722 1.00 0.00 C ATOM 103 O PRO A 10 2.859 7.214 -7.107 1.00 0.00 O ATOM 104 CB PRO A 10 3.832 9.605 -5.260 1.00 0.00 C ATOM 105 CG PRO A 10 3.023 10.472 -4.309 1.00 0.00 C ATOM 106 CD PRO A 10 1.961 11.192 -5.124 1.00 0.00 C ATOM 0 HA PRO A 10 3.693 9.595 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.984 8.608 -4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.820 10.032 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.560 9.860 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.669 11.190 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.962 10.997 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.108 12.272 -5.100 1.00 0.00 H new ATOM 114 N LEU A 11 0.984 8.278 -6.427 1.00 0.00 N ATOM 115 CA LEU A 11 0.140 7.101 -6.543 1.00 0.00 C ATOM 116 C LEU A 11 -0.778 7.255 -7.757 1.00 0.00 C ATOM 117 O LEU A 11 -1.370 6.281 -8.220 1.00 0.00 O ATOM 118 CB LEU A 11 -0.609 6.847 -5.233 1.00 0.00 C ATOM 119 CG LEU A 11 0.228 6.925 -3.955 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.638 6.688 -2.717 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.414 5.961 -4.018 1.00 0.00 C ATOM 0 H LEU A 11 0.502 9.118 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 11 0.747 6.212 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.421 7.570 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.066 5.859 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 11 0.635 7.933 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.018 6.749 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.420 7.446 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.094 5.700 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.993 6.036 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.048 4.941 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.047 6.218 -4.867 1.00 0.00 H new ATOM 133 N SER A 12 -0.869 8.486 -8.238 1.00 0.00 N ATOM 134 CA SER A 12 -1.705 8.780 -9.390 1.00 0.00 C ATOM 135 C SER A 12 -1.706 7.591 -10.353 1.00 0.00 C ATOM 136 O SER A 12 -0.725 7.359 -11.059 1.00 0.00 O ATOM 137 CB SER A 12 -1.229 10.044 -10.107 1.00 0.00 C ATOM 138 OG SER A 12 -0.989 9.814 -11.493 1.00 0.00 O ATOM 0 H SER A 12 -0.378 9.292 -7.851 1.00 0.00 H new ATOM 0 HA SER A 12 -2.722 8.955 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.977 10.828 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.315 10.405 -9.636 1.00 0.00 H new ATOM 0 HG SER A 12 -0.505 8.970 -11.605 1.00 0.00 H new ATOM 144 N ASN A 13 -2.817 6.870 -10.351 1.00 0.00 N ATOM 145 CA ASN A 13 -2.958 5.711 -11.216 1.00 0.00 C ATOM 146 C ASN A 13 -2.384 4.480 -10.511 1.00 0.00 C ATOM 147 O ASN A 13 -1.520 3.795 -11.056 1.00 0.00 O ATOM 148 CB ASN A 13 -2.192 5.905 -12.527 1.00 0.00 C ATOM 149 CG ASN A 13 -2.805 5.066 -13.649 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.303 5.576 -14.640 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.741 3.754 -13.441 1.00 0.00 N ATOM 0 H ASN A 13 -3.628 7.066 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.018 5.580 -11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.205 6.958 -12.807 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.148 5.625 -12.387 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.122 3.109 -14.133 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.311 3.393 -12.590 1.00 0.00 H new ATOM 158 N MET A 14 -2.887 4.238 -9.310 1.00 0.00 N ATOM 159 CA MET A 14 -2.435 3.102 -8.524 1.00 0.00 C ATOM 160 C MET A 14 -3.480 2.708 -7.479 1.00 0.00 C ATOM 161 O MET A 14 -4.160 3.567 -6.921 1.00 0.00 O ATOM 162 CB MET A 14 -1.121 3.455 -7.825 1.00 0.00 C ATOM 163 CG MET A 14 0.003 3.662 -8.842 1.00 0.00 C ATOM 164 SD MET A 14 1.567 3.833 -7.998 1.00 0.00 S ATOM 165 CE MET A 14 1.526 2.374 -6.970 1.00 0.00 C ATOM 0 H MET A 14 -3.603 4.809 -8.861 1.00 0.00 H new ATOM 0 HA MET A 14 -2.284 2.257 -9.195 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.252 4.361 -7.233 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.848 2.659 -7.133 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.042 2.817 -9.530 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.196 4.551 -9.440 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.540 2.002 -6.825 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.089 2.623 -6.003 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.923 1.605 -7.453 1.00 0.00 H new ATOM 175 N LYS A 15 -3.575 1.407 -7.245 1.00 0.00 N ATOM 176 CA LYS A 15 -4.525 0.888 -6.276 1.00 0.00 C ATOM 177 C LYS A 15 -3.779 0.479 -5.004 1.00 0.00 C ATOM 178 O LYS A 15 -3.047 -0.509 -5.001 1.00 0.00 O ATOM 179 CB LYS A 15 -5.356 -0.240 -6.891 1.00 0.00 C ATOM 180 CG LYS A 15 -6.628 0.308 -7.540 1.00 0.00 C ATOM 181 CD LYS A 15 -6.965 -0.460 -8.820 1.00 0.00 C ATOM 182 CE LYS A 15 -8.465 -0.750 -8.907 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.175 0.379 -9.549 1.00 0.00 N ATOM 0 H LYS A 15 -3.009 0.697 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.239 1.661 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.762 -0.769 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.620 -0.964 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.459 0.235 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.497 1.365 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.652 0.119 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.408 -1.397 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.632 -1.664 -9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.867 -0.919 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.192 0.166 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.030 1.243 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.803 0.522 -10.509 1.00 0.00 H new ATOM 197 N ILE A 16 -3.991 1.260 -3.955 1.00 0.00 N ATOM 198 CA ILE A 16 -3.347 0.992 -2.680 1.00 0.00 C ATOM 199 C ILE A 16 -4.296 0.180 -1.796 1.00 0.00 C ATOM 200 O ILE A 16 -5.486 0.480 -1.718 1.00 0.00 O ATOM 201 CB ILE A 16 -2.869 2.295 -2.036 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.860 3.013 -2.934 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.311 2.041 -0.635 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.567 3.762 -4.065 1.00 0.00 C ATOM 0 H ILE A 16 -4.600 2.078 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.451 0.389 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.728 2.957 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.274 3.714 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.162 2.289 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.978 2.983 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.088 1.606 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.468 1.353 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.826 4.263 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.133 3.055 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.246 4.502 -3.642 1.00 0.00 H new ATOM 216 N LEU A 17 -3.733 -0.831 -1.152 1.00 0.00 N ATOM 217 CA LEU A 17 -4.514 -1.688 -0.276 1.00 0.00 C ATOM 218 C LEU A 17 -3.902 -1.671 1.126 1.00 0.00 C ATOM 219 O LEU A 17 -2.689 -1.530 1.276 1.00 0.00 O ATOM 220 CB LEU A 17 -4.643 -3.091 -0.874 1.00 0.00 C ATOM 221 CG LEU A 17 -5.504 -4.080 -0.085 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.835 -4.336 -0.795 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.739 -5.377 0.186 1.00 0.00 C ATOM 0 H LEU A 17 -2.745 -1.076 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.533 -1.311 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.057 -3.000 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.644 -3.513 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.736 -3.635 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.428 -5.042 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.381 -3.398 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.645 -4.751 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.373 -6.063 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.456 -5.837 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.842 -5.156 0.764 1.00 0.00 H new ATOM 235 N THR A 18 -4.768 -1.817 2.117 1.00 0.00 N ATOM 236 CA THR A 18 -4.328 -1.821 3.502 1.00 0.00 C ATOM 237 C THR A 18 -4.736 -3.125 4.189 1.00 0.00 C ATOM 238 O THR A 18 -5.758 -3.718 3.846 1.00 0.00 O ATOM 239 CB THR A 18 -4.895 -0.573 4.182 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.304 -0.691 4.003 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.532 0.715 3.439 1.00 0.00 C ATOM 0 H THR A 18 -5.773 -1.934 1.989 1.00 0.00 H new ATOM 0 HA THR A 18 -3.241 -1.781 3.571 1.00 0.00 H new ATOM 0 HB THR A 18 -4.525 -0.518 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.752 0.077 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.959 1.570 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.448 0.818 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.931 0.675 2.425 1.00 0.00 H new ATOM 249 N LEU A 19 -3.916 -3.535 5.145 1.00 0.00 N ATOM 250 CA LEU A 19 -4.180 -4.759 5.883 1.00 0.00 C ATOM 251 C LEU A 19 -3.836 -4.544 7.358 1.00 0.00 C ATOM 252 O LEU A 19 -2.792 -3.979 7.680 1.00 0.00 O ATOM 253 CB LEU A 19 -3.442 -5.938 5.245 1.00 0.00 C ATOM 254 CG LEU A 19 -4.322 -7.074 4.719 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.529 -7.998 3.794 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.976 -7.840 5.871 1.00 0.00 C ATOM 0 H LEU A 19 -3.069 -3.042 5.426 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.239 -5.012 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.839 -5.560 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.752 -6.350 5.981 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.125 -6.637 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.178 -8.797 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.152 -7.427 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.692 -8.430 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.596 -8.642 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.203 -8.265 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.596 -7.160 6.455 1.00 0.00 H new ATOM 268 N GLY A 20 -4.733 -5.007 8.216 1.00 0.00 N ATOM 269 CA GLY A 20 -4.538 -4.872 9.649 1.00 0.00 C ATOM 270 C GLY A 20 -4.925 -3.471 10.126 1.00 0.00 C ATOM 271 O GLY A 20 -5.815 -2.841 9.557 1.00 0.00 O ATOM 0 H GLY A 20 -5.597 -5.476 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.137 -5.617 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.495 -5.070 9.898 1.00 0.00 H new ATOM 275 N LYS A 21 -4.236 -3.023 11.166 1.00 0.00 N ATOM 276 CA LYS A 21 -4.497 -1.708 11.726 1.00 0.00 C ATOM 277 C LYS A 21 -3.235 -0.850 11.609 1.00 0.00 C ATOM 278 O LYS A 21 -2.154 -1.269 12.020 1.00 0.00 O ATOM 279 CB LYS A 21 -5.027 -1.830 13.156 1.00 0.00 C ATOM 280 CG LYS A 21 -5.354 -0.453 13.739 1.00 0.00 C ATOM 281 CD LYS A 21 -4.194 0.074 14.586 1.00 0.00 C ATOM 282 CE LYS A 21 -4.709 0.834 15.809 1.00 0.00 C ATOM 283 NZ LYS A 21 -3.994 2.121 15.960 1.00 0.00 N ATOM 0 H LYS A 21 -3.498 -3.548 11.635 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.281 -1.202 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.921 -2.454 13.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.285 -2.327 13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.566 0.247 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.255 -0.517 14.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.567 -0.757 14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.568 0.731 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.779 1.016 15.707 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.572 0.228 16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.356 2.624 16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.977 1.941 16.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.146 2.704 15.112 1.00 0.00 H new ATOM 297 N LEU A 22 -3.415 0.336 11.046 1.00 0.00 N ATOM 298 CA LEU A 22 -2.305 1.256 10.869 1.00 0.00 C ATOM 299 C LEU A 22 -2.417 2.387 11.894 1.00 0.00 C ATOM 300 O LEU A 22 -3.462 2.561 12.519 1.00 0.00 O ATOM 301 CB LEU A 22 -2.239 1.745 9.421 1.00 0.00 C ATOM 302 CG LEU A 22 -2.115 0.657 8.351 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.774 1.097 7.043 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.654 0.252 8.149 1.00 0.00 C ATOM 0 H LEU A 22 -4.313 0.681 10.707 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.358 0.749 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.135 2.330 9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.389 2.420 9.325 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.649 -0.227 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.672 0.306 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.831 1.296 7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.289 2.003 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.593 -0.522 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.076 1.120 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.250 -0.131 9.086 1.00 0.00 H new ATOM 316 N SER A 23 -1.326 3.125 12.035 1.00 0.00 N ATOM 317 CA SER A 23 -1.289 4.234 12.974 1.00 0.00 C ATOM 318 C SER A 23 -2.488 5.155 12.743 1.00 0.00 C ATOM 319 O SER A 23 -3.149 5.571 13.694 1.00 0.00 O ATOM 320 CB SER A 23 0.017 5.020 12.846 1.00 0.00 C ATOM 321 OG SER A 23 0.823 4.910 14.016 1.00 0.00 O ATOM 0 H SER A 23 -0.461 2.977 11.515 1.00 0.00 H new ATOM 0 HA SER A 23 -1.340 3.829 13.985 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.577 4.655 11.985 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.209 6.070 12.658 1.00 0.00 H new ATOM 0 HG SER A 23 1.648 5.424 13.894 1.00 0.00 H new ATOM 327 N ARG A 24 -2.734 5.447 11.475 1.00 0.00 N ATOM 328 CA ARG A 24 -3.842 6.312 11.107 1.00 0.00 C ATOM 329 C ARG A 24 -5.112 5.486 10.892 1.00 0.00 C ATOM 330 O ARG A 24 -5.071 4.257 10.931 1.00 0.00 O ATOM 331 CB ARG A 24 -3.530 7.095 9.830 1.00 0.00 C ATOM 332 CG ARG A 24 -2.569 8.250 10.116 1.00 0.00 C ATOM 333 CD ARG A 24 -3.073 9.552 9.490 1.00 0.00 C ATOM 334 NE ARG A 24 -2.012 10.583 9.541 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.624 11.205 10.662 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.207 10.906 11.831 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.653 12.128 10.615 1.00 0.00 N ATOM 0 H ARG A 24 -2.185 5.100 10.689 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.996 7.017 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.092 6.428 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.454 7.484 9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.460 8.379 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.581 8.012 9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.371 9.376 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.958 9.902 10.022 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.548 10.835 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.947 10.204 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.911 11.380 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.209 12.357 9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.358 12.602 11.469 1.00 0.00 H new ATOM 351 N ASN A 25 -6.210 6.193 10.672 1.00 0.00 N ATOM 352 CA ASN A 25 -7.489 5.540 10.451 1.00 0.00 C ATOM 353 C ASN A 25 -7.662 5.258 8.957 1.00 0.00 C ATOM 354 O ASN A 25 -7.150 5.998 8.119 1.00 0.00 O ATOM 355 CB ASN A 25 -8.648 6.433 10.901 1.00 0.00 C ATOM 356 CG ASN A 25 -8.698 6.539 12.426 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.799 5.554 13.140 1.00 0.00 O ATOM 358 ND2 ASN A 25 -8.623 7.785 12.885 1.00 0.00 N ATOM 0 H ASN A 25 -6.241 7.212 10.642 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.500 4.616 11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.536 7.427 10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.589 6.028 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.649 7.961 13.889 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.540 8.565 12.233 1.00 0.00 H new ATOM 365 N LYS A 26 -8.385 4.186 8.670 1.00 0.00 N ATOM 366 CA LYS A 26 -8.632 3.797 7.292 1.00 0.00 C ATOM 367 C LYS A 26 -8.914 5.047 6.456 1.00 0.00 C ATOM 368 O LYS A 26 -8.295 5.253 5.413 1.00 0.00 O ATOM 369 CB LYS A 26 -9.743 2.747 7.222 1.00 0.00 C ATOM 370 CG LYS A 26 -9.300 1.533 6.404 1.00 0.00 C ATOM 371 CD LYS A 26 -10.247 0.351 6.620 1.00 0.00 C ATOM 372 CE LYS A 26 -11.197 0.185 5.432 1.00 0.00 C ATOM 373 NZ LYS A 26 -12.553 -0.178 5.899 1.00 0.00 N ATOM 0 H LYS A 26 -8.808 3.574 9.368 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.748 3.321 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.014 2.432 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.635 3.186 6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.273 1.793 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.287 1.249 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.669 -0.562 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.823 0.504 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.239 1.112 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.818 -0.586 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.185 -0.287 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.511 -1.074 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.918 0.571 6.521 1.00 0.00 H new ATOM 387 N ASP A 27 -9.848 5.849 6.946 1.00 0.00 N ATOM 388 CA ASP A 27 -10.219 7.073 6.257 1.00 0.00 C ATOM 389 C ASP A 27 -8.965 7.914 6.008 1.00 0.00 C ATOM 390 O ASP A 27 -8.603 8.170 4.861 1.00 0.00 O ATOM 391 CB ASP A 27 -11.187 7.907 7.098 1.00 0.00 C ATOM 392 CG ASP A 27 -11.740 9.153 6.404 1.00 0.00 C ATOM 393 OD1 ASP A 27 -10.944 10.098 6.216 1.00 0.00 O ATOM 394 OD2 ASP A 27 -12.946 9.132 6.077 1.00 0.00 O ATOM 0 H ASP A 27 -10.359 5.675 7.812 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.701 6.798 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.023 7.274 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.678 8.214 8.012 1.00 0.00 H new ATOM 399 N GLU A 28 -8.336 8.319 7.101 1.00 0.00 N ATOM 400 CA GLU A 28 -7.130 9.125 7.016 1.00 0.00 C ATOM 401 C GLU A 28 -6.227 8.611 5.893 1.00 0.00 C ATOM 402 O GLU A 28 -5.628 9.400 5.163 1.00 0.00 O ATOM 403 CB GLU A 28 -6.387 9.142 8.353 1.00 0.00 C ATOM 404 CG GLU A 28 -7.186 9.899 9.416 1.00 0.00 C ATOM 405 CD GLU A 28 -6.279 10.823 10.230 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.988 11.926 9.720 1.00 0.00 O ATOM 407 OE2 GLU A 28 -5.898 10.405 11.345 1.00 0.00 O ATOM 0 H GLU A 28 -8.639 8.104 8.051 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.417 10.151 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.209 8.120 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.411 9.610 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.971 10.484 8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.678 9.189 10.081 1.00 0.00 H new ATOM 414 N VAL A 29 -6.157 7.292 5.789 1.00 0.00 N ATOM 415 CA VAL A 29 -5.337 6.664 4.768 1.00 0.00 C ATOM 416 C VAL A 29 -6.045 6.770 3.415 1.00 0.00 C ATOM 417 O VAL A 29 -5.470 7.264 2.447 1.00 0.00 O ATOM 418 CB VAL A 29 -5.020 5.221 5.165 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.311 4.482 4.028 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.189 5.176 6.449 1.00 0.00 C ATOM 0 H VAL A 29 -6.655 6.641 6.396 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.381 7.179 4.676 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.964 4.712 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.097 3.459 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.953 4.469 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.377 4.991 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.977 4.139 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.251 5.710 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.745 5.647 7.259 1.00 0.00 H new ATOM 430 N LYS A 30 -7.283 6.298 3.393 1.00 0.00 N ATOM 431 CA LYS A 30 -8.075 6.333 2.175 1.00 0.00 C ATOM 432 C LYS A 30 -7.975 7.725 1.547 1.00 0.00 C ATOM 433 O LYS A 30 -8.015 7.863 0.326 1.00 0.00 O ATOM 434 CB LYS A 30 -9.511 5.887 2.458 1.00 0.00 C ATOM 435 CG LYS A 30 -10.378 6.004 1.203 1.00 0.00 C ATOM 436 CD LYS A 30 -11.866 5.967 1.559 1.00 0.00 C ATOM 437 CE LYS A 30 -12.628 5.018 0.632 1.00 0.00 C ATOM 438 NZ LYS A 30 -14.062 5.381 0.584 1.00 0.00 N ATOM 0 H LYS A 30 -7.757 5.890 4.199 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.684 5.625 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.513 4.856 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.935 6.497 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.148 6.934 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.144 5.189 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.988 5.646 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.287 6.970 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.202 5.060 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.518 3.992 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.565 4.727 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.468 5.318 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.162 6.353 0.228 1.00 0.00 H new ATOM 452 N ALA A 31 -7.848 8.721 2.411 1.00 0.00 N ATOM 453 CA ALA A 31 -7.742 10.097 1.957 1.00 0.00 C ATOM 454 C ALA A 31 -6.350 10.329 1.365 1.00 0.00 C ATOM 455 O ALA A 31 -6.222 10.780 0.228 1.00 0.00 O ATOM 456 CB ALA A 31 -8.047 11.044 3.119 1.00 0.00 C ATOM 0 H ALA A 31 -7.816 8.602 3.424 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.471 10.299 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.967 12.076 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.058 10.859 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.334 10.872 3.925 1.00 0.00 H new ATOM 462 N MET A 32 -5.342 10.009 2.164 1.00 0.00 N ATOM 463 CA MET A 32 -3.965 10.177 1.734 1.00 0.00 C ATOM 464 C MET A 32 -3.723 9.493 0.387 1.00 0.00 C ATOM 465 O MET A 32 -3.085 10.062 -0.497 1.00 0.00 O ATOM 466 CB MET A 32 -3.026 9.582 2.785 1.00 0.00 C ATOM 467 CG MET A 32 -2.117 10.659 3.381 1.00 0.00 C ATOM 468 SD MET A 32 -1.263 11.528 2.077 1.00 0.00 S ATOM 469 CE MET A 32 0.326 11.770 2.854 1.00 0.00 C ATOM 0 H MET A 32 -5.452 9.634 3.106 1.00 0.00 H new ATOM 0 HA MET A 32 -3.768 11.243 1.619 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.611 9.115 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.419 8.798 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.708 11.360 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.395 10.203 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.667 12.789 2.674 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.236 11.601 3.927 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.046 11.067 2.436 1.00 0.00 H new ATOM 479 N ILE A 33 -4.247 8.281 0.273 1.00 0.00 N ATOM 480 CA ILE A 33 -4.097 7.513 -0.951 1.00 0.00 C ATOM 481 C ILE A 33 -4.724 8.286 -2.113 1.00 0.00 C ATOM 482 O ILE A 33 -4.228 8.234 -3.238 1.00 0.00 O ATOM 483 CB ILE A 33 -4.665 6.104 -0.773 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.903 5.339 0.312 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.683 5.347 -2.103 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.640 4.055 0.698 1.00 0.00 C ATOM 0 H ILE A 33 -4.776 7.812 1.008 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.042 7.379 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.699 6.192 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.902 5.095 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.782 5.972 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.091 4.348 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.303 5.885 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.667 5.267 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.077 3.531 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.631 4.304 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.737 3.414 -0.178 1.00 0.00 H new ATOM 498 N GLU A 34 -5.805 8.985 -1.802 1.00 0.00 N ATOM 499 CA GLU A 34 -6.505 9.768 -2.806 1.00 0.00 C ATOM 500 C GLU A 34 -5.772 11.087 -3.058 1.00 0.00 C ATOM 501 O GLU A 34 -5.571 11.481 -4.205 1.00 0.00 O ATOM 502 CB GLU A 34 -7.957 10.018 -2.393 1.00 0.00 C ATOM 503 CG GLU A 34 -8.843 8.823 -2.753 1.00 0.00 C ATOM 504 CD GLU A 34 -10.220 9.286 -3.232 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.254 9.990 -4.265 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.207 8.926 -2.555 1.00 0.00 O ATOM 0 H GLU A 34 -6.214 9.026 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.519 9.200 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.007 10.202 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.330 10.914 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.363 8.232 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.955 8.174 -1.884 1.00 0.00 H new ATOM 513 N LYS A 35 -5.392 11.733 -1.965 1.00 0.00 N ATOM 514 CA LYS A 35 -4.685 13.000 -2.053 1.00 0.00 C ATOM 515 C LYS A 35 -3.382 12.799 -2.828 1.00 0.00 C ATOM 516 O LYS A 35 -2.916 13.709 -3.513 1.00 0.00 O ATOM 517 CB LYS A 35 -4.485 13.599 -0.659 1.00 0.00 C ATOM 518 CG LYS A 35 -3.109 13.236 -0.098 1.00 0.00 C ATOM 519 CD LYS A 35 -2.050 14.245 -0.547 1.00 0.00 C ATOM 520 CE LYS A 35 -1.978 15.430 0.418 1.00 0.00 C ATOM 521 NZ LYS A 35 -0.639 16.057 0.370 1.00 0.00 N ATOM 0 H LYS A 35 -5.560 11.403 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.277 13.729 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.587 14.683 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.263 13.235 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.152 13.209 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.829 12.237 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.077 13.756 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.285 14.602 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.740 16.165 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.192 15.094 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.608 16.859 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.082 15.358 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.449 16.395 -0.595 1.00 0.00 H new ATOM 535 N LEU A 36 -2.829 11.602 -2.695 1.00 0.00 N ATOM 536 CA LEU A 36 -1.589 11.271 -3.375 1.00 0.00 C ATOM 537 C LEU A 36 -1.894 10.880 -4.822 1.00 0.00 C ATOM 538 O LEU A 36 -1.000 10.469 -5.560 1.00 0.00 O ATOM 539 CB LEU A 36 -0.821 10.199 -2.597 1.00 0.00 C ATOM 540 CG LEU A 36 -0.180 10.653 -1.285 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.123 9.457 -0.380 1.00 0.00 C ATOM 542 CD2 LEU A 36 1.065 11.503 -1.548 1.00 0.00 C ATOM 0 H LEU A 36 -3.217 10.850 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.931 12.139 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.503 9.377 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.038 9.801 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.895 11.284 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.578 9.808 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.803 8.929 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.810 8.781 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.501 11.813 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.794 10.917 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.788 12.385 -2.125 1.00 0.00 H new ATOM 554 N GLY A 37 -3.160 11.021 -5.185 1.00 0.00 N ATOM 555 CA GLY A 37 -3.595 10.688 -6.531 1.00 0.00 C ATOM 556 C GLY A 37 -3.896 9.193 -6.656 1.00 0.00 C ATOM 557 O GLY A 37 -4.437 8.747 -7.666 1.00 0.00 O ATOM 0 H GLY A 37 -3.899 11.362 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.486 11.264 -6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.822 10.968 -7.247 1.00 0.00 H new ATOM 561 N GLY A 38 -3.531 8.459 -5.614 1.00 0.00 N ATOM 562 CA GLY A 38 -3.755 7.024 -5.595 1.00 0.00 C ATOM 563 C GLY A 38 -5.230 6.702 -5.349 1.00 0.00 C ATOM 564 O GLY A 38 -6.059 7.607 -5.253 1.00 0.00 O ATOM 0 H GLY A 38 -3.082 8.832 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.438 6.590 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.145 6.567 -4.816 1.00 0.00 H new ATOM 568 N LYS A 39 -5.514 5.412 -5.256 1.00 0.00 N ATOM 569 CA LYS A 39 -6.875 4.959 -5.024 1.00 0.00 C ATOM 570 C LYS A 39 -6.851 3.724 -4.122 1.00 0.00 C ATOM 571 O LYS A 39 -6.063 2.805 -4.342 1.00 0.00 O ATOM 572 CB LYS A 39 -7.600 4.737 -6.353 1.00 0.00 C ATOM 573 CG LYS A 39 -8.407 5.974 -6.751 1.00 0.00 C ATOM 574 CD LYS A 39 -9.891 5.787 -6.430 1.00 0.00 C ATOM 575 CE LYS A 39 -10.717 5.652 -7.711 1.00 0.00 C ATOM 576 NZ LYS A 39 -12.152 5.493 -7.389 1.00 0.00 N ATOM 0 H LYS A 39 -4.824 4.665 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.447 5.725 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.874 4.505 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.264 3.877 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.024 6.848 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.283 6.166 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.024 4.899 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.251 6.636 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.574 6.533 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.370 4.793 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.698 5.403 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.285 4.639 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.483 6.325 -6.860 1.00 0.00 H new ATOM 590 N LEU A 40 -7.724 3.740 -3.125 1.00 0.00 N ATOM 591 CA LEU A 40 -7.813 2.633 -2.189 1.00 0.00 C ATOM 592 C LEU A 40 -8.763 1.572 -2.749 1.00 0.00 C ATOM 593 O LEU A 40 -9.821 1.902 -3.283 1.00 0.00 O ATOM 594 CB LEU A 40 -8.204 3.136 -0.799 1.00 0.00 C ATOM 595 CG LEU A 40 -8.034 2.138 0.348 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.053 2.667 1.396 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.388 1.774 0.963 1.00 0.00 C ATOM 0 H LEU A 40 -8.376 4.503 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.839 2.158 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.610 4.022 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.247 3.451 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.607 1.221 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.951 1.938 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.081 2.835 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.427 3.606 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.239 1.063 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.865 2.674 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.025 1.325 0.201 1.00 0.00 H new ATOM 609 N THR A 41 -8.351 0.321 -2.608 1.00 0.00 N ATOM 610 CA THR A 41 -9.153 -0.790 -3.093 1.00 0.00 C ATOM 611 C THR A 41 -9.347 -1.830 -1.988 1.00 0.00 C ATOM 612 O THR A 41 -8.676 -1.779 -0.958 1.00 0.00 O ATOM 613 CB THR A 41 -8.475 -1.351 -4.344 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.276 -2.475 -4.698 1.00 0.00 O ATOM 615 CG2 THR A 41 -7.100 -1.953 -4.045 1.00 0.00 C ATOM 0 H THR A 41 -7.473 0.052 -2.165 1.00 0.00 H new ATOM 0 HA THR A 41 -10.156 -0.464 -3.368 1.00 0.00 H new ATOM 0 HB THR A 41 -8.371 -0.560 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.908 -2.899 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.663 -2.337 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.450 -1.185 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.207 -2.767 -3.328 1.00 0.00 H new ATOM 623 N GLY A 42 -10.267 -2.750 -2.240 1.00 0.00 N ATOM 624 CA GLY A 42 -10.557 -3.801 -1.279 1.00 0.00 C ATOM 625 C GLY A 42 -9.797 -5.083 -1.623 1.00 0.00 C ATOM 626 O GLY A 42 -9.268 -5.752 -0.736 1.00 0.00 O ATOM 0 H GLY A 42 -10.821 -2.789 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.283 -3.469 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.628 -4.001 -1.266 1.00 0.00 H new ATOM 630 N THR A 43 -9.765 -5.387 -2.912 1.00 0.00 N ATOM 631 CA THR A 43 -9.078 -6.577 -3.384 1.00 0.00 C ATOM 632 C THR A 43 -7.568 -6.338 -3.431 1.00 0.00 C ATOM 633 O THR A 43 -7.121 -5.218 -3.674 1.00 0.00 O ATOM 634 CB THR A 43 -9.675 -6.962 -4.739 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.051 -7.201 -4.457 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.158 -8.310 -5.245 1.00 0.00 C ATOM 0 H THR A 43 -10.204 -4.829 -3.645 1.00 0.00 H new ATOM 0 HA THR A 43 -9.222 -7.414 -2.700 1.00 0.00 H new ATOM 0 HB THR A 43 -9.444 -6.187 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.515 -7.455 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.613 -8.535 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.075 -8.266 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.418 -9.091 -4.530 1.00 0.00 H new ATOM 644 N ALA A 44 -6.824 -7.408 -3.194 1.00 0.00 N ATOM 645 CA ALA A 44 -5.373 -7.328 -3.206 1.00 0.00 C ATOM 646 C ALA A 44 -4.860 -7.657 -4.610 1.00 0.00 C ATOM 647 O ALA A 44 -3.949 -6.999 -5.112 1.00 0.00 O ATOM 648 CB ALA A 44 -4.801 -8.267 -2.143 1.00 0.00 C ATOM 0 H ALA A 44 -7.198 -8.335 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.043 -6.318 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.713 -8.207 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.172 -7.974 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.110 -9.290 -2.357 1.00 0.00 H new ATOM 654 N ASN A 45 -5.468 -8.673 -5.205 1.00 0.00 N ATOM 655 CA ASN A 45 -5.084 -9.096 -6.541 1.00 0.00 C ATOM 656 C ASN A 45 -5.379 -7.970 -7.533 1.00 0.00 C ATOM 657 O ASN A 45 -4.927 -8.009 -8.676 1.00 0.00 O ATOM 658 CB ASN A 45 -5.877 -10.330 -6.977 1.00 0.00 C ATOM 659 CG ASN A 45 -5.052 -11.605 -6.793 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.073 -11.846 -7.479 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.501 -12.406 -5.831 1.00 0.00 N ATOM 0 H ASN A 45 -6.224 -9.215 -4.786 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.021 -9.337 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.796 -10.400 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.168 -10.229 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.019 -13.282 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.327 -12.144 -5.294 1.00 0.00 H new ATOM 668 N LYS A 46 -6.137 -6.991 -7.059 1.00 0.00 N ATOM 669 CA LYS A 46 -6.498 -5.855 -7.890 1.00 0.00 C ATOM 670 C LYS A 46 -5.928 -4.576 -7.274 1.00 0.00 C ATOM 671 O LYS A 46 -6.598 -3.545 -7.245 1.00 0.00 O ATOM 672 CB LYS A 46 -8.012 -5.811 -8.109 1.00 0.00 C ATOM 673 CG LYS A 46 -8.497 -7.066 -8.838 1.00 0.00 C ATOM 674 CD LYS A 46 -9.193 -6.702 -10.151 1.00 0.00 C ATOM 675 CE LYS A 46 -9.577 -7.959 -10.935 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.038 -7.997 -11.170 1.00 0.00 N ATOM 0 H LYS A 46 -6.511 -6.961 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.058 -5.954 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.520 -5.725 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.274 -4.926 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.651 -7.723 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.185 -7.619 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.086 -6.112 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.534 -6.079 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.049 -7.976 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.268 -8.847 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.282 -8.856 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.536 -8.003 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.324 -7.159 -11.715 1.00 0.00 H new ATOM 690 N ALA A 47 -4.698 -4.685 -6.795 1.00 0.00 N ATOM 691 CA ALA A 47 -4.030 -3.550 -6.181 1.00 0.00 C ATOM 692 C ALA A 47 -2.613 -3.431 -6.745 1.00 0.00 C ATOM 693 O ALA A 47 -2.068 -4.398 -7.275 1.00 0.00 O ATOM 694 CB ALA A 47 -4.040 -3.714 -4.660 1.00 0.00 C ATOM 0 H ALA A 47 -4.146 -5.542 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.556 -2.624 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.539 -2.863 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.070 -3.764 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.518 -4.632 -4.390 1.00 0.00 H new ATOM 700 N SER A 48 -2.056 -2.236 -6.612 1.00 0.00 N ATOM 701 CA SER A 48 -0.713 -1.978 -7.102 1.00 0.00 C ATOM 702 C SER A 48 0.281 -1.995 -5.939 1.00 0.00 C ATOM 703 O SER A 48 1.445 -2.348 -6.118 1.00 0.00 O ATOM 704 CB SER A 48 -0.643 -0.639 -7.839 1.00 0.00 C ATOM 705 OG SER A 48 0.565 -0.501 -8.582 1.00 0.00 O ATOM 0 H SER A 48 -2.511 -1.436 -6.172 1.00 0.00 H new ATOM 0 HA SER A 48 -0.450 -2.765 -7.808 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.495 -0.551 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.721 0.176 -7.119 1.00 0.00 H new ATOM 0 HG SER A 48 0.504 0.286 -9.162 1.00 0.00 H new ATOM 711 N LEU A 49 -0.215 -1.609 -4.773 1.00 0.00 N ATOM 712 CA LEU A 49 0.614 -1.576 -3.580 1.00 0.00 C ATOM 713 C LEU A 49 -0.237 -1.937 -2.362 1.00 0.00 C ATOM 714 O LEU A 49 -1.462 -1.835 -2.403 1.00 0.00 O ATOM 715 CB LEU A 49 1.322 -0.225 -3.457 1.00 0.00 C ATOM 716 CG LEU A 49 1.912 0.100 -2.083 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.216 -0.665 -1.851 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.094 1.609 -1.909 1.00 0.00 C ATOM 0 H LEU A 49 -1.181 -1.316 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 49 1.407 -2.321 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.125 -0.190 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.613 0.560 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 49 1.206 -0.230 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.614 -0.416 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.023 -1.737 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.941 -0.389 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.515 1.814 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.769 1.985 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.128 2.105 -2.001 1.00 0.00 H new ATOM 730 N CYS A 50 0.446 -2.353 -1.305 1.00 0.00 N ATOM 731 CA CYS A 50 -0.233 -2.730 -0.076 1.00 0.00 C ATOM 732 C CYS A 50 0.443 -2.003 1.088 1.00 0.00 C ATOM 733 O CYS A 50 1.650 -1.767 1.061 1.00 0.00 O ATOM 734 CB CYS A 50 -0.239 -4.247 0.124 1.00 0.00 C ATOM 735 SG CYS A 50 -1.612 -4.725 1.235 1.00 0.00 S ATOM 0 H CYS A 50 1.462 -2.437 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.280 -2.433 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.347 -4.749 -0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.712 -4.570 0.547 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.226 -3.657 1.651 1.00 0.00 H new ATOM 741 N ILE A 51 -0.364 -1.669 2.084 1.00 0.00 N ATOM 742 CA ILE A 51 0.141 -0.975 3.256 1.00 0.00 C ATOM 743 C ILE A 51 -0.286 -1.731 4.516 1.00 0.00 C ATOM 744 O ILE A 51 -1.414 -1.583 4.981 1.00 0.00 O ATOM 745 CB ILE A 51 -0.299 0.491 3.241 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.371 1.252 2.096 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.044 1.154 4.597 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.010 2.734 2.125 1.00 0.00 C ATOM 0 H ILE A 51 -1.365 -1.866 2.103 1.00 0.00 H new ATOM 0 HA ILE A 51 1.231 -0.958 3.248 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.374 0.524 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.454 1.150 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.075 0.815 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.365 2.195 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.605 0.629 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.020 1.111 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.480 3.252 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.091 2.834 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.309 3.173 3.070 1.00 0.00 H new ATOM 760 N SER A 52 0.640 -2.527 5.032 1.00 0.00 N ATOM 761 CA SER A 52 0.374 -3.307 6.228 1.00 0.00 C ATOM 762 C SER A 52 1.539 -3.171 7.211 1.00 0.00 C ATOM 763 O SER A 52 2.449 -2.373 6.994 1.00 0.00 O ATOM 764 CB SER A 52 0.139 -4.779 5.884 1.00 0.00 C ATOM 765 OG SER A 52 -0.647 -5.440 6.873 1.00 0.00 O ATOM 0 H SER A 52 1.575 -2.648 4.643 1.00 0.00 H new ATOM 0 HA SER A 52 -0.533 -2.921 6.694 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.360 -4.850 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.099 -5.286 5.785 1.00 0.00 H new ATOM 0 HG SER A 52 -1.355 -4.838 7.184 1.00 0.00 H new ATOM 771 N THR A 53 1.471 -3.962 8.272 1.00 0.00 N ATOM 772 CA THR A 53 2.508 -3.939 9.289 1.00 0.00 C ATOM 773 C THR A 53 3.420 -5.159 9.148 1.00 0.00 C ATOM 774 O THR A 53 3.259 -5.956 8.225 1.00 0.00 O ATOM 775 CB THR A 53 1.828 -3.844 10.656 1.00 0.00 C ATOM 776 OG1 THR A 53 1.358 -5.167 10.903 1.00 0.00 O ATOM 777 CG2 THR A 53 0.554 -2.997 10.619 1.00 0.00 C ATOM 0 H THR A 53 0.714 -4.622 8.449 1.00 0.00 H new ATOM 0 HA THR A 53 3.157 -3.071 9.172 1.00 0.00 H new ATOM 0 HB THR A 53 2.525 -3.420 11.379 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.905 -5.196 11.771 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.111 -2.962 11.614 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.799 -1.985 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.157 -3.439 9.921 1.00 0.00 H new ATOM 785 N LYS A 54 4.358 -5.268 10.078 1.00 0.00 N ATOM 786 CA LYS A 54 5.296 -6.378 10.068 1.00 0.00 C ATOM 787 C LYS A 54 4.608 -7.626 10.625 1.00 0.00 C ATOM 788 O LYS A 54 4.884 -8.740 10.183 1.00 0.00 O ATOM 789 CB LYS A 54 6.580 -6.000 10.810 1.00 0.00 C ATOM 790 CG LYS A 54 7.507 -7.209 10.951 1.00 0.00 C ATOM 791 CD LYS A 54 8.437 -7.331 9.743 1.00 0.00 C ATOM 792 CE LYS A 54 9.707 -6.501 9.942 1.00 0.00 C ATOM 793 NZ LYS A 54 10.210 -6.003 8.642 1.00 0.00 N ATOM 0 H LYS A 54 4.488 -4.606 10.843 1.00 0.00 H new ATOM 0 HA LYS A 54 5.601 -6.611 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.094 -5.204 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.333 -5.610 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.099 -7.114 11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.913 -8.118 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.702 -8.377 9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.918 -6.998 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.499 -5.661 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.472 -7.107 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.072 -5.442 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.427 -6.809 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.484 -5.408 8.194 1.00 0.00 H new ATOM 807 N LYS A 55 3.726 -7.397 11.587 1.00 0.00 N ATOM 808 CA LYS A 55 2.997 -8.489 12.209 1.00 0.00 C ATOM 809 C LYS A 55 2.198 -9.237 11.140 1.00 0.00 C ATOM 810 O LYS A 55 2.365 -10.443 10.965 1.00 0.00 O ATOM 811 CB LYS A 55 2.142 -7.971 13.367 1.00 0.00 C ATOM 812 CG LYS A 55 2.261 -8.885 14.588 1.00 0.00 C ATOM 813 CD LYS A 55 1.706 -8.202 15.840 1.00 0.00 C ATOM 814 CE LYS A 55 1.770 -9.138 17.049 1.00 0.00 C ATOM 815 NZ LYS A 55 0.815 -8.702 18.093 1.00 0.00 N ATOM 0 H LYS A 55 3.500 -6.471 11.951 1.00 0.00 H new ATOM 0 HA LYS A 55 3.688 -9.207 12.650 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.456 -6.961 13.632 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.100 -7.909 13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.720 -9.814 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.306 -9.151 14.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.275 -7.296 16.047 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.674 -7.898 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.539 -10.157 16.740 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.782 -9.149 17.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.871 -9.348 18.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.053 -7.737 18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.151 -8.714 17.707 1.00 0.00 H new ATOM 829 N GLU A 56 1.346 -8.490 10.453 1.00 0.00 N ATOM 830 CA GLU A 56 0.520 -9.067 9.406 1.00 0.00 C ATOM 831 C GLU A 56 1.378 -9.901 8.453 1.00 0.00 C ATOM 832 O GLU A 56 1.199 -11.113 8.350 1.00 0.00 O ATOM 833 CB GLU A 56 -0.243 -7.979 8.648 1.00 0.00 C ATOM 834 CG GLU A 56 -1.755 -8.167 8.793 1.00 0.00 C ATOM 835 CD GLU A 56 -2.324 -8.961 7.615 1.00 0.00 C ATOM 836 OE1 GLU A 56 -2.247 -8.433 6.485 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.823 -10.078 7.872 1.00 0.00 O ATOM 0 H GLU A 56 1.210 -7.490 10.601 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.216 -9.724 9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.043 -6.998 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.031 -8.005 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.973 -8.687 9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.242 -7.194 8.850 1.00 0.00 H new ATOM 844 N VAL A 57 2.292 -9.217 7.778 1.00 0.00 N ATOM 845 CA VAL A 57 3.178 -9.880 6.837 1.00 0.00 C ATOM 846 C VAL A 57 3.786 -11.118 7.499 1.00 0.00 C ATOM 847 O VAL A 57 3.997 -12.137 6.844 1.00 0.00 O ATOM 848 CB VAL A 57 4.232 -8.895 6.328 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.214 -9.585 5.379 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.576 -7.687 5.656 1.00 0.00 C ATOM 0 H VAL A 57 2.437 -8.211 7.865 1.00 0.00 H new ATOM 0 HA VAL A 57 2.622 -10.220 5.964 1.00 0.00 H new ATOM 0 HB VAL A 57 4.795 -8.534 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.953 -8.863 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.719 -10.396 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.671 -9.989 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.348 -7.003 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.975 -8.023 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.937 -7.174 6.374 1.00 0.00 H new ATOM 860 N GLU A 58 4.051 -10.988 8.791 1.00 0.00 N ATOM 861 CA GLU A 58 4.631 -12.083 9.550 1.00 0.00 C ATOM 862 C GLU A 58 3.567 -13.140 9.853 1.00 0.00 C ATOM 863 O GLU A 58 3.888 -14.313 10.038 1.00 0.00 O ATOM 864 CB GLU A 58 5.281 -11.574 10.838 1.00 0.00 C ATOM 865 CG GLU A 58 6.736 -11.168 10.595 1.00 0.00 C ATOM 866 CD GLU A 58 7.597 -11.454 11.827 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.534 -10.632 12.767 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.300 -12.487 11.800 1.00 0.00 O ATOM 0 H GLU A 58 3.875 -10.141 9.331 1.00 0.00 H new ATOM 0 HA GLU A 58 5.412 -12.544 8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.721 -10.721 11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.239 -12.350 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.131 -11.712 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.785 -10.107 10.350 1.00 0.00 H new ATOM 875 N LYS A 59 2.323 -12.687 9.894 1.00 0.00 N ATOM 876 CA LYS A 59 1.210 -13.580 10.171 1.00 0.00 C ATOM 877 C LYS A 59 0.866 -14.368 8.905 1.00 0.00 C ATOM 878 O LYS A 59 0.552 -15.555 8.975 1.00 0.00 O ATOM 879 CB LYS A 59 0.029 -12.799 10.750 1.00 0.00 C ATOM 880 CG LYS A 59 -1.256 -13.092 9.972 1.00 0.00 C ATOM 881 CD LYS A 59 -2.485 -12.600 10.738 1.00 0.00 C ATOM 882 CE LYS A 59 -2.805 -11.146 10.384 1.00 0.00 C ATOM 883 NZ LYS A 59 -3.209 -10.395 11.595 1.00 0.00 N ATOM 0 H LYS A 59 2.061 -11.713 9.740 1.00 0.00 H new ATOM 0 HA LYS A 59 1.486 -14.308 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.108 -13.064 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.243 -11.731 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.213 -12.608 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.340 -14.164 9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.341 -13.232 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.309 -12.687 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.933 -10.675 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.605 -11.113 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.423 -9.410 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.054 -10.835 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.434 -10.411 12.288 1.00 0.00 H new ATOM 897 N MET A 60 0.939 -13.675 7.778 1.00 0.00 N ATOM 898 CA MET A 60 0.639 -14.295 6.499 1.00 0.00 C ATOM 899 C MET A 60 -0.792 -14.836 6.473 1.00 0.00 C ATOM 900 O MET A 60 -1.008 -16.020 6.219 1.00 0.00 O ATOM 901 CB MET A 60 1.622 -15.439 6.243 1.00 0.00 C ATOM 902 CG MET A 60 2.849 -14.946 5.472 1.00 0.00 C ATOM 903 SD MET A 60 2.595 -15.159 3.718 1.00 0.00 S ATOM 904 CE MET A 60 2.239 -13.474 3.250 1.00 0.00 C ATOM 0 H MET A 60 1.201 -12.691 7.724 1.00 0.00 H new ATOM 0 HA MET A 60 0.736 -13.539 5.719 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.935 -15.873 7.192 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.127 -16.229 5.679 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.031 -13.895 5.696 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.734 -15.498 5.789 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.266 -13.430 2.761 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.226 -12.844 4.140 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.007 -13.117 2.564 1.00 0.00 H new ATOM 914 N ASN A 61 -1.733 -13.943 6.741 1.00 0.00 N ATOM 915 CA ASN A 61 -3.138 -14.316 6.752 1.00 0.00 C ATOM 916 C ASN A 61 -3.669 -14.329 5.318 1.00 0.00 C ATOM 917 O ASN A 61 -3.002 -13.852 4.401 1.00 0.00 O ATOM 918 CB ASN A 61 -3.968 -13.313 7.555 1.00 0.00 C ATOM 919 CG ASN A 61 -5.390 -13.831 7.778 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.613 -14.982 8.118 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.337 -12.921 7.568 1.00 0.00 N ATOM 0 H ASN A 61 -1.551 -12.962 6.952 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.222 -15.301 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.490 -13.128 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.003 -12.360 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.319 -13.169 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.081 -11.975 7.285 1.00 0.00 H new ATOM 928 N LYS A 62 -4.865 -14.879 5.168 1.00 0.00 N ATOM 929 CA LYS A 62 -5.494 -14.959 3.861 1.00 0.00 C ATOM 930 C LYS A 62 -5.373 -13.606 3.157 1.00 0.00 C ATOM 931 O LYS A 62 -4.958 -13.538 2.002 1.00 0.00 O ATOM 932 CB LYS A 62 -6.934 -15.459 3.989 1.00 0.00 C ATOM 933 CG LYS A 62 -7.183 -16.656 3.069 1.00 0.00 C ATOM 934 CD LYS A 62 -7.233 -17.960 3.867 1.00 0.00 C ATOM 935 CE LYS A 62 -8.642 -18.222 4.402 1.00 0.00 C ATOM 936 NZ LYS A 62 -8.793 -19.642 4.793 1.00 0.00 N ATOM 0 H LYS A 62 -5.415 -15.274 5.931 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.981 -15.690 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.134 -15.742 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.626 -14.654 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.122 -16.518 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.393 -16.714 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.920 -18.790 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.528 -17.910 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.836 -17.580 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.379 -17.968 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.755 -19.802 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.628 -20.249 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.102 -19.873 5.535 1.00 0.00 H new ATOM 950 N LYS A 63 -5.744 -12.562 3.884 1.00 0.00 N ATOM 951 CA LYS A 63 -5.682 -11.214 3.344 1.00 0.00 C ATOM 952 C LYS A 63 -4.277 -10.952 2.799 1.00 0.00 C ATOM 953 O LYS A 63 -4.121 -10.479 1.674 1.00 0.00 O ATOM 954 CB LYS A 63 -6.136 -10.196 4.391 1.00 0.00 C ATOM 955 CG LYS A 63 -7.632 -10.337 4.681 1.00 0.00 C ATOM 956 CD LYS A 63 -8.297 -8.965 4.808 1.00 0.00 C ATOM 957 CE LYS A 63 -9.765 -9.026 4.380 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.897 -8.731 2.936 1.00 0.00 N ATOM 0 H LYS A 63 -6.089 -12.622 4.842 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.373 -11.106 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.569 -10.338 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.924 -9.187 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.109 -10.904 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.776 -10.902 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.229 -8.618 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.765 -8.240 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.171 -10.015 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.349 -8.310 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.899 -8.777 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.528 -7.778 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.356 -9.430 2.388 1.00 0.00 H new ATOM 972 N MET A 64 -3.289 -11.270 3.622 1.00 0.00 N ATOM 973 CA MET A 64 -1.901 -11.075 3.237 1.00 0.00 C ATOM 974 C MET A 64 -1.511 -12.015 2.095 1.00 0.00 C ATOM 975 O MET A 64 -0.655 -11.683 1.278 1.00 0.00 O ATOM 976 CB MET A 64 -0.995 -11.332 4.443 1.00 0.00 C ATOM 977 CG MET A 64 0.443 -10.899 4.151 1.00 0.00 C ATOM 978 SD MET A 64 0.477 -9.180 3.672 1.00 0.00 S ATOM 979 CE MET A 64 0.077 -8.415 5.235 1.00 0.00 C ATOM 0 H MET A 64 -3.422 -11.662 4.554 1.00 0.00 H new ATOM 0 HA MET A 64 -1.780 -10.048 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.373 -10.789 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.015 -12.392 4.698 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.064 -11.051 5.034 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.863 -11.515 3.356 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.731 -7.698 5.093 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.237 -9.180 5.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.955 -7.899 5.623 1.00 0.00 H new ATOM 989 N GLU A 65 -2.159 -13.171 2.076 1.00 0.00 N ATOM 990 CA GLU A 65 -1.891 -14.162 1.047 1.00 0.00 C ATOM 991 C GLU A 65 -2.162 -13.574 -0.339 1.00 0.00 C ATOM 992 O GLU A 65 -1.343 -13.711 -1.246 1.00 0.00 O ATOM 993 CB GLU A 65 -2.717 -15.428 1.278 1.00 0.00 C ATOM 994 CG GLU A 65 -1.855 -16.546 1.868 1.00 0.00 C ATOM 995 CD GLU A 65 -1.630 -17.662 0.846 1.00 0.00 C ATOM 996 OE1 GLU A 65 -2.642 -18.114 0.266 1.00 0.00 O ATOM 997 OE2 GLU A 65 -0.452 -18.039 0.667 1.00 0.00 O ATOM 0 H GLU A 65 -2.869 -13.443 2.756 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.839 -14.440 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.545 -15.208 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.153 -15.759 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.895 -16.140 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.339 -16.953 2.756 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.316 -12.933 -0.460 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.705 -12.325 -1.721 1.00 0.00 C ATOM 1006 C GLU A 66 -2.608 -11.380 -2.215 1.00 0.00 C ATOM 1007 O GLU A 66 -2.344 -11.303 -3.414 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.041 -11.592 -1.586 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.129 -12.527 -1.054 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.994 -13.067 -2.195 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.403 -13.665 -3.120 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.225 -12.870 -2.116 1.00 0.00 O ATOM 0 H GLU A 66 -3.994 -12.822 0.294 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.835 -13.116 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.927 -10.742 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.341 -11.194 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.670 -13.357 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.755 -11.993 -0.340 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.999 -10.684 -1.267 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.937 -9.747 -1.591 1.00 0.00 C ATOM 1021 C VAL A 67 0.298 -10.523 -2.053 1.00 0.00 C ATOM 1022 O VAL A 67 0.987 -10.105 -2.983 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.658 -8.837 -0.393 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.356 -7.750 -0.755 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.953 -8.224 0.143 1.00 0.00 C ATOM 0 H VAL A 67 -2.221 -10.750 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.239 -9.097 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.225 -9.448 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.537 -7.117 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.292 -8.214 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.037 -7.143 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.727 -7.582 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.428 -7.634 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.629 -9.019 0.458 1.00 0.00 H new ATOM 1035 N LYS A 68 0.542 -11.639 -1.381 1.00 0.00 N ATOM 1036 CA LYS A 68 1.682 -12.478 -1.711 1.00 0.00 C ATOM 1037 C LYS A 68 1.487 -13.070 -3.108 1.00 0.00 C ATOM 1038 O LYS A 68 2.427 -13.126 -3.900 1.00 0.00 O ATOM 1039 CB LYS A 68 1.906 -13.529 -0.623 1.00 0.00 C ATOM 1040 CG LYS A 68 3.154 -14.364 -0.917 1.00 0.00 C ATOM 1041 CD LYS A 68 3.791 -14.873 0.378 1.00 0.00 C ATOM 1042 CE LYS A 68 5.208 -15.392 0.126 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.169 -16.634 -0.679 1.00 0.00 N ATOM 0 H LYS A 68 -0.030 -11.982 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 68 2.596 -11.885 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.011 -13.039 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.035 -14.181 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.889 -15.209 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.876 -13.763 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.820 -14.069 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.178 -15.669 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.793 -14.633 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.706 -15.583 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.139 -16.973 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.628 -17.361 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.712 -16.441 -1.593 1.00 0.00 H new ATOM 1057 N GLU A 69 0.260 -13.497 -3.369 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.071 -14.083 -4.657 1.00 0.00 C ATOM 1059 C GLU A 69 0.145 -13.063 -5.776 1.00 0.00 C ATOM 1060 O GLU A 69 0.693 -13.394 -6.826 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.506 -14.613 -4.666 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.802 -15.419 -3.400 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.404 -16.782 -3.746 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -3.337 -16.796 -4.577 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -1.917 -17.780 -3.172 1.00 0.00 O ATOM 0 H GLU A 69 -0.517 -13.449 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 69 0.594 -14.929 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.204 -13.780 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.660 -15.240 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.883 -15.557 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.491 -14.864 -2.764 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.298 -11.842 -5.512 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.160 -10.770 -6.484 1.00 0.00 C ATOM 1074 C ALA A 70 1.220 -10.127 -6.336 1.00 0.00 C ATOM 1075 O ALA A 70 1.500 -9.100 -6.953 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.296 -9.762 -6.297 1.00 0.00 C ATOM 0 H ALA A 70 -0.752 -11.571 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.234 -11.161 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.193 -8.958 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.254 -10.262 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.252 -9.347 -5.290 1.00 0.00 H new ATOM 1082 N ASN A 71 2.047 -10.758 -5.515 1.00 0.00 N ATOM 1083 CA ASN A 71 3.391 -10.261 -5.278 1.00 0.00 C ATOM 1084 C ASN A 71 3.354 -8.735 -5.168 1.00 0.00 C ATOM 1085 O ASN A 71 4.025 -8.038 -5.928 1.00 0.00 O ATOM 1086 CB ASN A 71 4.326 -10.629 -6.432 1.00 0.00 C ATOM 1087 CG ASN A 71 5.766 -10.792 -5.940 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.030 -11.343 -4.884 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.679 -10.285 -6.763 1.00 0.00 N ATOM 0 H ASN A 71 1.812 -11.610 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 71 3.760 -10.712 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.989 -11.556 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.285 -9.855 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.669 -10.345 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.389 -9.837 -7.632 1.00 0.00 H new ATOM 1096 N ILE A 72 2.562 -8.261 -4.217 1.00 0.00 N ATOM 1097 CA ILE A 72 2.429 -6.831 -3.999 1.00 0.00 C ATOM 1098 C ILE A 72 3.287 -6.420 -2.800 1.00 0.00 C ATOM 1099 O ILE A 72 3.008 -6.813 -1.669 1.00 0.00 O ATOM 1100 CB ILE A 72 0.955 -6.445 -3.860 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.172 -6.809 -5.124 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.806 -4.966 -3.499 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.335 -6.795 -4.858 1.00 0.00 C ATOM 0 H ILE A 72 2.006 -8.842 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 72 2.800 -6.278 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 72 0.527 -7.020 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.411 -6.104 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.474 -7.797 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.252 -4.719 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.309 -4.770 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.255 -4.354 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.868 -7.057 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.574 -7.519 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.638 -5.799 -4.534 1.00 0.00 H new ATOM 1115 N ARG A 73 4.314 -5.635 -3.090 1.00 0.00 N ATOM 1116 CA ARG A 73 5.215 -5.167 -2.051 1.00 0.00 C ATOM 1117 C ARG A 73 4.421 -4.535 -0.905 1.00 0.00 C ATOM 1118 O ARG A 73 3.684 -3.573 -1.114 1.00 0.00 O ATOM 1119 CB ARG A 73 6.206 -4.140 -2.602 1.00 0.00 C ATOM 1120 CG ARG A 73 5.556 -2.761 -2.724 1.00 0.00 C ATOM 1121 CD ARG A 73 6.439 -1.808 -3.532 1.00 0.00 C ATOM 1122 NE ARG A 73 5.772 -1.455 -4.804 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.917 -2.143 -5.945 1.00 0.00 C ATOM 1124 NH1 ARG A 73 6.707 -3.225 -5.979 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.272 -1.749 -7.052 1.00 0.00 N ATOM 0 H ARG A 73 4.542 -5.311 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 73 5.771 -6.029 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.075 -4.080 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.566 -4.464 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.582 -2.855 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.383 -2.348 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.638 -0.906 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.402 -2.276 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 73 5.163 -0.637 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.198 -3.525 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.817 -3.749 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.671 -0.925 -7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.382 -2.273 -7.920 1.00 0.00 H new ATOM 1139 N VAL A 74 4.599 -5.102 0.279 1.00 0.00 N ATOM 1140 CA VAL A 74 3.909 -4.606 1.457 1.00 0.00 C ATOM 1141 C VAL A 74 4.815 -3.619 2.197 1.00 0.00 C ATOM 1142 O VAL A 74 5.863 -4.003 2.715 1.00 0.00 O ATOM 1143 CB VAL A 74 3.460 -5.777 2.333 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.399 -5.333 3.342 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.950 -6.938 1.476 1.00 0.00 C ATOM 0 H VAL A 74 5.211 -5.900 0.448 1.00 0.00 H new ATOM 0 HA VAL A 74 3.006 -4.067 1.171 1.00 0.00 H new ATOM 0 HB VAL A 74 4.327 -6.128 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.098 -6.185 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.811 -4.555 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.531 -4.943 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.637 -7.758 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.102 -6.604 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.747 -7.281 0.816 1.00 0.00 H new ATOM 1155 N VAL A 75 4.379 -2.369 2.222 1.00 0.00 N ATOM 1156 CA VAL A 75 5.138 -1.325 2.890 1.00 0.00 C ATOM 1157 C VAL A 75 4.325 -0.784 4.068 1.00 0.00 C ATOM 1158 O VAL A 75 3.150 -1.114 4.220 1.00 0.00 O ATOM 1159 CB VAL A 75 5.530 -0.239 1.885 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.357 -0.826 0.740 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.293 0.487 1.352 1.00 0.00 C ATOM 0 H VAL A 75 3.510 -2.055 1.791 1.00 0.00 H new ATOM 0 HA VAL A 75 6.067 -1.727 3.294 1.00 0.00 H new ATOM 0 HB VAL A 75 6.149 0.492 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.623 -0.034 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.265 -1.276 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.773 -1.587 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.599 1.253 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.637 -0.228 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.760 0.954 2.180 1.00 0.00 H new ATOM 1171 N SER A 76 4.983 0.039 4.871 1.00 0.00 N ATOM 1172 CA SER A 76 4.337 0.629 6.031 1.00 0.00 C ATOM 1173 C SER A 76 3.445 1.794 5.597 1.00 0.00 C ATOM 1174 O SER A 76 3.386 2.128 4.414 1.00 0.00 O ATOM 1175 CB SER A 76 5.370 1.104 7.055 1.00 0.00 C ATOM 1176 OG SER A 76 5.255 2.499 7.322 1.00 0.00 O ATOM 0 H SER A 76 5.957 0.311 4.741 1.00 0.00 H new ATOM 0 HA SER A 76 3.721 -0.135 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.244 0.546 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.372 0.887 6.686 1.00 0.00 H new ATOM 0 HG SER A 76 4.791 2.632 8.175 1.00 0.00 H new ATOM 1182 N GLU A 77 2.775 2.381 6.577 1.00 0.00 N ATOM 1183 CA GLU A 77 1.889 3.502 6.311 1.00 0.00 C ATOM 1184 C GLU A 77 2.676 4.814 6.316 1.00 0.00 C ATOM 1185 O GLU A 77 2.136 5.868 5.985 1.00 0.00 O ATOM 1186 CB GLU A 77 0.742 3.547 7.323 1.00 0.00 C ATOM 1187 CG GLU A 77 0.266 4.983 7.548 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.998 5.013 8.410 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -1.929 4.246 8.080 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.006 5.801 9.380 1.00 0.00 O ATOM 0 H GLU A 77 2.827 2.102 7.557 1.00 0.00 H new ATOM 0 HA GLU A 77 1.452 3.367 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.087 2.937 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.070 3.116 8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.054 5.560 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.067 5.459 6.588 1.00 0.00 H new ATOM 1197 N ASP A 78 3.941 4.706 6.696 1.00 0.00 N ATOM 1198 CA ASP A 78 4.809 5.870 6.748 1.00 0.00 C ATOM 1199 C ASP A 78 5.154 6.308 5.324 1.00 0.00 C ATOM 1200 O ASP A 78 5.383 7.490 5.072 1.00 0.00 O ATOM 1201 CB ASP A 78 6.117 5.551 7.475 1.00 0.00 C ATOM 1202 CG ASP A 78 6.204 6.076 8.909 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.604 7.144 9.160 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.869 5.398 9.722 1.00 0.00 O ATOM 0 H ASP A 78 4.385 3.830 6.971 1.00 0.00 H new ATOM 0 HA ASP A 78 4.282 6.659 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.252 4.469 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.945 5.967 6.901 1.00 0.00 H new ATOM 1209 N PHE A 79 5.182 5.331 4.429 1.00 0.00 N ATOM 1210 CA PHE A 79 5.496 5.601 3.036 1.00 0.00 C ATOM 1211 C PHE A 79 4.660 6.765 2.501 1.00 0.00 C ATOM 1212 O PHE A 79 5.116 7.518 1.641 1.00 0.00 O ATOM 1213 CB PHE A 79 5.151 4.336 2.247 1.00 0.00 C ATOM 1214 CG PHE A 79 4.641 4.607 0.830 1.00 0.00 C ATOM 1215 CD1 PHE A 79 3.366 5.039 0.637 1.00 0.00 C ATOM 1216 CD2 PHE A 79 5.463 4.415 -0.237 1.00 0.00 C ATOM 1217 CE1 PHE A 79 2.893 5.289 -0.678 1.00 0.00 C ATOM 1218 CE2 PHE A 79 4.990 4.666 -1.552 1.00 0.00 C ATOM 1219 CZ PHE A 79 3.715 5.098 -1.745 1.00 0.00 C ATOM 0 H PHE A 79 4.992 4.352 4.641 1.00 0.00 H new ATOM 0 HA PHE A 79 6.548 5.869 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.037 3.703 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.394 3.774 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.713 5.192 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.475 4.072 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.880 5.631 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.643 4.514 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.355 5.289 -2.745 1.00 0.00 H new ATOM 1229 N LEU A 80 3.451 6.877 3.032 1.00 0.00 N ATOM 1230 CA LEU A 80 2.547 7.937 2.618 1.00 0.00 C ATOM 1231 C LEU A 80 3.107 9.286 3.076 1.00 0.00 C ATOM 1232 O LEU A 80 3.166 10.234 2.295 1.00 0.00 O ATOM 1233 CB LEU A 80 1.129 7.657 3.119 1.00 0.00 C ATOM 1234 CG LEU A 80 0.393 6.502 2.437 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.877 6.132 3.206 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.101 6.828 0.971 1.00 0.00 C ATOM 0 H LEU A 80 3.076 6.251 3.745 1.00 0.00 H new ATOM 0 HA LEU A 80 2.474 7.974 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.177 7.450 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.536 8.563 2.996 1.00 0.00 H new ATOM 0 HG LEU A 80 1.043 5.627 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.382 5.309 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.613 5.829 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.542 6.995 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.423 5.991 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.521 7.721 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.039 7.005 0.444 1.00 0.00 H new ATOM 1248 N GLN A 81 3.501 9.328 4.340 1.00 0.00 N ATOM 1249 CA GLN A 81 4.054 10.545 4.911 1.00 0.00 C ATOM 1250 C GLN A 81 5.328 10.949 4.168 1.00 0.00 C ATOM 1251 O GLN A 81 5.579 12.135 3.958 1.00 0.00 O ATOM 1252 CB GLN A 81 4.322 10.375 6.408 1.00 0.00 C ATOM 1253 CG GLN A 81 5.558 11.168 6.836 1.00 0.00 C ATOM 1254 CD GLN A 81 5.404 12.652 6.495 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.317 13.148 6.246 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.548 13.329 6.497 1.00 0.00 N ATOM 0 H GLN A 81 3.449 8.540 4.985 1.00 0.00 H new ATOM 0 HA GLN A 81 3.321 11.344 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.455 10.711 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.465 9.319 6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.715 11.052 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.441 10.767 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.423 12.852 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.551 14.326 6.281 1.00 0.00 H new ATOM 1265 N ASP A 82 6.100 9.941 3.790 1.00 0.00 N ATOM 1266 CA ASP A 82 7.343 10.176 3.075 1.00 0.00 C ATOM 1267 C ASP A 82 7.033 10.463 1.605 1.00 0.00 C ATOM 1268 O ASP A 82 7.262 11.572 1.123 1.00 0.00 O ATOM 1269 CB ASP A 82 8.254 8.949 3.135 1.00 0.00 C ATOM 1270 CG ASP A 82 9.241 8.933 4.305 1.00 0.00 C ATOM 1271 OD1 ASP A 82 10.208 9.722 4.242 1.00 0.00 O ATOM 1272 OD2 ASP A 82 9.005 8.132 5.235 1.00 0.00 O ATOM 0 H ASP A 82 5.889 8.959 3.966 1.00 0.00 H new ATOM 0 HA ASP A 82 7.847 11.022 3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.632 8.056 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.817 8.887 2.204 1.00 0.00 H new ATOM 1277 N VAL A 83 6.517 9.445 0.932 1.00 0.00 N ATOM 1278 CA VAL A 83 6.174 9.574 -0.474 1.00 0.00 C ATOM 1279 C VAL A 83 5.540 10.946 -0.716 1.00 0.00 C ATOM 1280 O VAL A 83 5.784 11.573 -1.745 1.00 0.00 O ATOM 1281 CB VAL A 83 5.271 8.415 -0.901 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.854 8.594 -0.353 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.256 8.264 -2.423 1.00 0.00 C ATOM 0 H VAL A 83 6.328 8.527 1.335 1.00 0.00 H new ATOM 0 HA VAL A 83 7.070 9.516 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 83 5.680 7.498 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.232 7.757 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.887 8.629 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.432 9.524 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.607 7.433 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.883 9.183 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.267 8.068 -2.779 1.00 0.00 H new ATOM 1293 N SER A 84 4.739 11.371 0.250 1.00 0.00 N ATOM 1294 CA SER A 84 4.068 12.656 0.155 1.00 0.00 C ATOM 1295 C SER A 84 5.063 13.786 0.428 1.00 0.00 C ATOM 1296 O SER A 84 5.050 14.809 -0.256 1.00 0.00 O ATOM 1297 CB SER A 84 2.892 12.737 1.129 1.00 0.00 C ATOM 1298 OG SER A 84 2.057 13.861 0.866 1.00 0.00 O ATOM 0 H SER A 84 4.540 10.848 1.103 1.00 0.00 H new ATOM 0 HA SER A 84 3.674 12.763 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.302 11.823 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.270 12.797 2.150 1.00 0.00 H new ATOM 0 HG SER A 84 2.540 14.503 0.306 1.00 0.00 H new ATOM 1304 N ALA A 85 5.901 13.564 1.430 1.00 0.00 N ATOM 1305 CA ALA A 85 6.900 14.552 1.803 1.00 0.00 C ATOM 1306 C ALA A 85 8.253 13.860 1.980 1.00 0.00 C ATOM 1307 O ALA A 85 8.736 13.711 3.102 1.00 0.00 O ATOM 1308 CB ALA A 85 6.448 15.282 3.069 1.00 0.00 C ATOM 0 H ALA A 85 5.909 12.715 1.995 1.00 0.00 H new ATOM 0 HA ALA A 85 7.012 15.300 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.197 16.023 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.497 15.780 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.328 14.564 3.880 1.00 0.00 H new ATOM 1314 N SER A 86 8.826 13.455 0.857 1.00 0.00 N ATOM 1315 CA SER A 86 10.114 12.782 0.874 1.00 0.00 C ATOM 1316 C SER A 86 10.878 13.081 -0.417 1.00 0.00 C ATOM 1317 O SER A 86 10.279 13.195 -1.485 1.00 0.00 O ATOM 1318 CB SER A 86 9.945 11.272 1.052 1.00 0.00 C ATOM 1319 OG SER A 86 11.196 10.590 1.051 1.00 0.00 O ATOM 0 H SER A 86 8.422 13.580 -0.071 1.00 0.00 H new ATOM 0 HA SER A 86 10.685 13.159 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.425 11.074 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.318 10.881 0.251 1.00 0.00 H new ATOM 0 HG SER A 86 11.045 9.629 1.169 1.00 0.00 H new ATOM 1325 N THR A 87 12.190 13.200 -0.277 1.00 0.00 N ATOM 1326 CA THR A 87 13.043 13.484 -1.419 1.00 0.00 C ATOM 1327 C THR A 87 13.531 12.182 -2.057 1.00 0.00 C ATOM 1328 O THR A 87 14.623 12.134 -2.620 1.00 0.00 O ATOM 1329 CB THR A 87 14.179 14.393 -0.946 1.00 0.00 C ATOM 1330 OG1 THR A 87 14.707 13.723 0.196 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.672 15.727 -0.395 1.00 0.00 C ATOM 0 H THR A 87 12.684 13.105 0.610 1.00 0.00 H new ATOM 0 HA THR A 87 12.494 14.007 -2.202 1.00 0.00 H new ATOM 0 HB THR A 87 14.863 14.580 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.451 14.243 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.519 16.333 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.121 16.256 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.014 15.543 0.454 1.00 0.00 H new ATOM 1339 N LYS A 88 12.697 11.158 -1.947 1.00 0.00 N ATOM 1340 CA LYS A 88 13.030 9.859 -2.507 1.00 0.00 C ATOM 1341 C LYS A 88 11.863 9.363 -3.363 1.00 0.00 C ATOM 1342 O LYS A 88 10.702 9.587 -3.026 1.00 0.00 O ATOM 1343 CB LYS A 88 13.436 8.886 -1.397 1.00 0.00 C ATOM 1344 CG LYS A 88 14.692 9.374 -0.673 1.00 0.00 C ATOM 1345 CD LYS A 88 15.722 8.249 -0.544 1.00 0.00 C ATOM 1346 CE LYS A 88 15.616 7.564 0.820 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.808 7.865 1.645 1.00 0.00 N ATOM 0 H LYS A 88 11.792 11.202 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 88 13.896 9.938 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.618 8.781 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.617 7.899 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.128 10.211 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.425 9.743 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.567 7.516 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.726 8.653 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.716 7.901 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.522 6.486 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.720 7.393 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.662 7.522 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.881 8.893 1.788 1.00 0.00 H new ATOM 1361 N SER A 89 12.213 8.698 -4.454 1.00 0.00 N ATOM 1362 CA SER A 89 11.209 8.169 -5.362 1.00 0.00 C ATOM 1363 C SER A 89 10.455 7.018 -4.693 1.00 0.00 C ATOM 1364 O SER A 89 10.947 6.420 -3.738 1.00 0.00 O ATOM 1365 CB SER A 89 11.844 7.697 -6.671 1.00 0.00 C ATOM 1366 OG SER A 89 12.463 8.767 -7.380 1.00 0.00 O ATOM 0 H SER A 89 13.177 8.513 -4.730 1.00 0.00 H new ATOM 0 HA SER A 89 10.506 8.968 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.585 6.927 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.081 7.239 -7.300 1.00 0.00 H new ATOM 0 HG SER A 89 12.858 8.425 -8.209 1.00 0.00 H new ATOM 1372 N LEU A 90 9.272 6.742 -5.222 1.00 0.00 N ATOM 1373 CA LEU A 90 8.444 5.673 -4.689 1.00 0.00 C ATOM 1374 C LEU A 90 9.284 4.401 -4.558 1.00 0.00 C ATOM 1375 O LEU A 90 9.274 3.751 -3.513 1.00 0.00 O ATOM 1376 CB LEU A 90 7.186 5.494 -5.540 1.00 0.00 C ATOM 1377 CG LEU A 90 5.966 6.313 -5.114 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.859 7.603 -5.929 1.00 0.00 C ATOM 1379 CD2 LEU A 90 4.687 5.476 -5.195 1.00 0.00 C ATOM 0 H LEU A 90 8.867 7.240 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 90 8.091 5.927 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.429 5.751 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.912 4.439 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 90 6.096 6.601 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.983 8.166 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.754 8.205 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.763 7.358 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.835 6.082 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.539 5.136 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.775 4.612 -4.536 1.00 0.00 H new ATOM 1391 N GLN A 91 9.990 4.083 -5.633 1.00 0.00 N ATOM 1392 CA GLN A 91 10.834 2.900 -5.651 1.00 0.00 C ATOM 1393 C GLN A 91 11.680 2.831 -4.379 1.00 0.00 C ATOM 1394 O GLN A 91 11.975 1.745 -3.883 1.00 0.00 O ATOM 1395 CB GLN A 91 11.718 2.876 -6.900 1.00 0.00 C ATOM 1396 CG GLN A 91 11.194 1.867 -7.924 1.00 0.00 C ATOM 1397 CD GLN A 91 11.077 0.471 -7.308 1.00 0.00 C ATOM 1398 OE1 GLN A 91 12.033 -0.095 -6.805 1.00 0.00 O ATOM 1399 NE2 GLN A 91 9.855 -0.049 -7.377 1.00 0.00 N ATOM 0 H GLN A 91 9.995 4.624 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 91 10.191 2.020 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.749 3.870 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.740 2.619 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.220 2.189 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.864 1.834 -8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.099 0.480 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.673 -0.977 -6.995 1.00 0.00 H new ATOM 1408 N GLU A 92 12.046 4.006 -3.886 1.00 0.00 N ATOM 1409 CA GLU A 92 12.853 4.093 -2.681 1.00 0.00 C ATOM 1410 C GLU A 92 12.020 3.707 -1.456 1.00 0.00 C ATOM 1411 O GLU A 92 12.307 2.710 -0.795 1.00 0.00 O ATOM 1412 CB GLU A 92 13.449 5.493 -2.520 1.00 0.00 C ATOM 1413 CG GLU A 92 14.259 5.889 -3.755 1.00 0.00 C ATOM 1414 CD GLU A 92 15.750 5.988 -3.425 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.175 5.262 -2.501 1.00 0.00 O ATOM 1416 OE2 GLU A 92 16.430 6.787 -4.105 1.00 0.00 O ATOM 0 H GLU A 92 11.798 4.905 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 92 13.681 3.390 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.650 6.216 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.088 5.521 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.106 5.154 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.903 6.846 -4.136 1.00 0.00 H new ATOM 1423 N LEU A 93 11.006 4.517 -1.191 1.00 0.00 N ATOM 1424 CA LEU A 93 10.130 4.273 -0.057 1.00 0.00 C ATOM 1425 C LEU A 93 9.773 2.786 -0.005 1.00 0.00 C ATOM 1426 O LEU A 93 9.991 2.127 1.011 1.00 0.00 O ATOM 1427 CB LEU A 93 8.911 5.196 -0.113 1.00 0.00 C ATOM 1428 CG LEU A 93 9.168 6.667 0.221 1.00 0.00 C ATOM 1429 CD1 LEU A 93 9.762 6.815 1.623 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.045 7.327 -0.845 1.00 0.00 C ATOM 0 H LEU A 93 10.771 5.343 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 93 10.640 4.512 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.484 5.141 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.158 4.813 0.576 1.00 0.00 H new ATOM 0 HG LEU A 93 8.211 7.189 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.935 7.870 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.068 6.406 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.707 6.274 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.212 8.372 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.003 6.809 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.546 7.271 -1.812 1.00 0.00 H new ATOM 1442 N PHE A 94 9.231 2.301 -1.112 1.00 0.00 N ATOM 1443 CA PHE A 94 8.842 0.904 -1.205 1.00 0.00 C ATOM 1444 C PHE A 94 9.915 -0.005 -0.603 1.00 0.00 C ATOM 1445 O PHE A 94 9.608 -1.084 -0.099 1.00 0.00 O ATOM 1446 CB PHE A 94 8.691 0.580 -2.693 1.00 0.00 C ATOM 1447 CG PHE A 94 7.511 1.284 -3.367 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.443 1.682 -2.625 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.530 1.510 -4.708 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.349 2.335 -3.250 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.435 2.163 -5.333 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.368 2.562 -4.591 1.00 0.00 C ATOM 0 H PHE A 94 9.052 2.850 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 94 7.915 0.738 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.610 0.858 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.573 -0.497 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.427 1.501 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.378 1.193 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.501 2.652 -2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.450 2.343 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.535 3.059 -5.066 1.00 0.00 H new ATOM 1462 N LEU A 95 11.152 0.464 -0.676 1.00 0.00 N ATOM 1463 CA LEU A 95 12.272 -0.293 -0.145 1.00 0.00 C ATOM 1464 C LEU A 95 12.629 0.239 1.245 1.00 0.00 C ATOM 1465 O LEU A 95 12.970 -0.532 2.140 1.00 0.00 O ATOM 1466 CB LEU A 95 13.444 -0.278 -1.128 1.00 0.00 C ATOM 1467 CG LEU A 95 13.552 -1.486 -2.061 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.554 -1.222 -3.186 1.00 0.00 C ATOM 1469 CD2 LEU A 95 13.891 -2.756 -1.277 1.00 0.00 C ATOM 0 H LEU A 95 11.403 1.359 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 95 12.000 -1.342 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.369 0.622 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.370 -0.200 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 95 12.580 -1.646 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.612 -2.096 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.229 -0.359 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.537 -1.022 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.962 -3.599 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.844 -2.624 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.109 -2.950 -0.543 1.00 0.00 H new ATOM 1481 N ALA A 96 12.537 1.554 1.381 1.00 0.00 N ATOM 1482 CA ALA A 96 12.846 2.198 2.646 1.00 0.00 C ATOM 1483 C ALA A 96 11.671 2.012 3.609 1.00 0.00 C ATOM 1484 O ALA A 96 11.699 2.513 4.732 1.00 0.00 O ATOM 1485 CB ALA A 96 13.171 3.673 2.402 1.00 0.00 C ATOM 0 H ALA A 96 12.253 2.190 0.636 1.00 0.00 H new ATOM 0 HA ALA A 96 13.723 1.742 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.403 4.156 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.030 3.751 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.312 4.164 1.945 1.00 0.00 H new ATOM 1491 N HIS A 97 10.667 1.290 3.133 1.00 0.00 N ATOM 1492 CA HIS A 97 9.485 1.032 3.938 1.00 0.00 C ATOM 1493 C HIS A 97 8.902 -0.334 3.569 1.00 0.00 C ATOM 1494 O HIS A 97 7.696 -0.548 3.677 1.00 0.00 O ATOM 1495 CB HIS A 97 8.470 2.168 3.793 1.00 0.00 C ATOM 1496 CG HIS A 97 8.851 3.429 4.530 1.00 0.00 C ATOM 1497 ND1 HIS A 97 8.943 3.493 5.909 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.163 4.673 4.065 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.295 4.725 6.248 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.430 5.455 5.104 1.00 0.00 N ATOM 0 H HIS A 97 10.648 0.876 2.201 1.00 0.00 H new ATOM 0 HA HIS A 97 9.759 1.000 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.349 2.400 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.502 1.825 4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.188 4.971 3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.448 5.087 7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.693 6.439 5.055 1.00 0.00 H new ATOM 1508 N ILE A 98 9.786 -1.223 3.142 1.00 0.00 N ATOM 1509 CA ILE A 98 9.375 -2.563 2.757 1.00 0.00 C ATOM 1510 C ILE A 98 9.160 -3.407 4.015 1.00 0.00 C ATOM 1511 O ILE A 98 10.062 -3.538 4.841 1.00 0.00 O ATOM 1512 CB ILE A 98 10.378 -3.169 1.773 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.709 -4.222 0.888 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.597 -3.730 2.509 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.315 -3.629 -0.467 1.00 0.00 C ATOM 0 H ILE A 98 10.786 -1.042 3.054 1.00 0.00 H new ATOM 0 HA ILE A 98 8.423 -2.532 2.227 1.00 0.00 H new ATOM 0 HB ILE A 98 10.735 -2.376 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.388 -5.061 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.824 -4.614 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.294 -4.155 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.089 -2.929 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.277 -4.506 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.841 -4.398 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.617 -2.806 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.206 -3.260 -0.976 1.00 0.00 H new ATOM 1527 N LEU A 99 7.960 -3.957 4.121 1.00 0.00 N ATOM 1528 CA LEU A 99 7.615 -4.785 5.265 1.00 0.00 C ATOM 1529 C LEU A 99 7.652 -6.258 4.852 1.00 0.00 C ATOM 1530 O LEU A 99 7.642 -7.145 5.704 1.00 0.00 O ATOM 1531 CB LEU A 99 6.275 -4.346 5.859 1.00 0.00 C ATOM 1532 CG LEU A 99 6.269 -2.994 6.574 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.986 -2.808 7.386 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.522 -2.823 7.435 1.00 0.00 C ATOM 0 H LEU A 99 7.214 -3.846 3.434 1.00 0.00 H new ATOM 0 HA LEU A 99 8.347 -4.658 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.538 -4.314 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.945 -5.109 6.564 1.00 0.00 H new ATOM 0 HG LEU A 99 6.288 -2.209 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.008 -1.839 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.124 -2.855 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.910 -3.598 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.492 -1.853 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.559 -3.614 8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.408 -2.880 6.803 1.00 0.00 H new ATOM 1546 N SER A 100 7.693 -6.472 3.545 1.00 0.00 N ATOM 1547 CA SER A 100 7.732 -7.823 3.009 1.00 0.00 C ATOM 1548 C SER A 100 9.062 -8.064 2.294 1.00 0.00 C ATOM 1549 O SER A 100 9.852 -7.138 2.115 1.00 0.00 O ATOM 1550 CB SER A 100 6.563 -8.069 2.053 1.00 0.00 C ATOM 1551 OG SER A 100 6.323 -6.950 1.204 1.00 0.00 O ATOM 0 H SER A 100 7.700 -5.733 2.842 1.00 0.00 H new ATOM 0 HA SER A 100 7.641 -8.524 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.772 -8.948 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.663 -8.287 2.629 1.00 0.00 H new ATOM 0 HG SER A 100 6.411 -7.225 0.268 1.00 0.00 H new ATOM 1557 N SER A 101 9.270 -9.313 1.904 1.00 0.00 N ATOM 1558 CA SER A 101 10.491 -9.688 1.213 1.00 0.00 C ATOM 1559 C SER A 101 10.211 -9.876 -0.280 1.00 0.00 C ATOM 1560 O SER A 101 11.102 -10.254 -1.039 1.00 0.00 O ATOM 1561 CB SER A 101 11.090 -10.965 1.805 1.00 0.00 C ATOM 1562 OG SER A 101 12.351 -10.726 2.424 1.00 0.00 O ATOM 0 H SER A 101 8.613 -10.078 2.054 1.00 0.00 H new ATOM 0 HA SER A 101 11.217 -8.885 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.400 -11.383 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.208 -11.709 1.017 1.00 0.00 H new ATOM 0 HG SER A 101 12.700 -11.565 2.791 1.00 0.00 H new ATOM 1568 N TRP A 102 8.970 -9.603 -0.655 1.00 0.00 N ATOM 1569 CA TRP A 102 8.562 -9.737 -2.043 1.00 0.00 C ATOM 1570 C TRP A 102 8.044 -8.378 -2.517 1.00 0.00 C ATOM 1571 O TRP A 102 8.226 -7.369 -1.837 1.00 0.00 O ATOM 1572 CB TRP A 102 7.533 -10.859 -2.206 1.00 0.00 C ATOM 1573 CG TRP A 102 6.121 -10.478 -1.759 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.169 -9.860 -2.471 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.536 -10.716 -0.461 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.017 -9.683 -1.730 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.248 -10.221 -0.469 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.077 -11.331 0.682 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.394 -10.289 0.638 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.211 -11.391 1.780 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.911 -10.897 1.787 1.00 0.00 C ATOM 0 H TRP A 102 8.234 -9.290 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 102 9.408 -10.024 -2.668 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.503 -11.161 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.863 -11.726 -1.634 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.288 -9.540 -3.496 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.156 -9.239 -2.049 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.082 -11.726 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.390 -9.893 0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.578 -11.853 2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.303 -10.982 2.676 1.00 0.00 H new ATOM 1592 N GLY A 103 7.408 -8.395 -3.679 1.00 0.00 N ATOM 1593 CA GLY A 103 6.862 -7.176 -4.252 1.00 0.00 C ATOM 1594 C GLY A 103 7.834 -6.563 -5.262 1.00 0.00 C ATOM 1595 O GLY A 103 8.030 -5.348 -5.282 1.00 0.00 O ATOM 0 H GLY A 103 7.258 -9.234 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.912 -7.393 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.655 -6.458 -3.459 1.00 0.00 H new