USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 938 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 116 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 75 MET CE :methyl -174:sc= -4.57! (180deg=-3.28) USER MOD Set 2.2: A 110 ASN : amide:sc= -2.68 K(o=-7.3,f=-9!) USER MOD Set 3.1: A 63 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.67) USER MOD Set 3.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -3.15! C(o=-3.2!,f=-21!) USER MOD Set 4.2: A 60 SER OG : rot -152:sc= -0.378 USER MOD Set 4.3: A 90 THR OG1 : rot 114:sc= -2.06! USER MOD Set 4.4: A 92 SER OG : rot -159:sc= 1.16! USER MOD Set 4.5: A 105 THR OG1 : rot 156:sc= 1.23 USER MOD Set 5.1: A 3 MET CE :methyl -128:sc= -2.57 (180deg=-1.21) USER MOD Set 5.2: A 5 ASN : amide:sc= -5.86! C(o=-13!,f=-6.6!) USER MOD Set 5.3: A 36 GLN : amide:sc= -3.13! K(o=-13!,f=-6.6) USER MOD Set 5.4: A 38 GLN : amide:sc= -0.998 K(o=-13,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 8:sc= 0.825 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -133:sc= -2.52! USER MOD Single : A 17 ASN : amide:sc= -4.67 K(o=-4.7,f=-18!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.732 K(o=-0.73,f=0.13) USER MOD Single : A 29 CYS SG : rot 74:sc= -2.87 USER MOD Single : A 32 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 35 TYR OH : rot 101:sc= 0.768 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.76! C(o=-4.8!,f=-6.8!) USER MOD Single : A 49 CYS SG : rot -54:sc= -2.73! USER MOD Single : A 50 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-6.5!) USER MOD Single : A 54 GLN : amide:sc= -2.38! C(o=-2.4!,f=-6!) USER MOD Single : A 55 GLN : amide:sc= 0.343 X(o=0.34,f=-0.078) USER MOD Single : A 62 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.85) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.463 (180deg=-1.62) USER MOD Single : A 70 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.56) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.291 USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= -0.254 (180deg=-0.322) USER MOD Single : A 82 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.033) USER MOD Single : A 83 GLN : amide:sc= -3.05! K(o=-3!,f=-0.36) USER MOD Single : A 88 MET CE :methyl 143:sc= -8.6! (180deg=-11.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.074) USER MOD Single : A 94 THR OG1 : rot 6:sc= 0.495 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -3.04! C(o=-3!,f=-3.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 41:sc= 1.12 USER MOD Single : A 109 THR OG1 : rot -170:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 112 ASN : amide:sc= -0.0818 K(o=-0.082,f=-3.3!) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= -0.0153 (180deg=-0.171) USER MOD Single : A 115 ASN : amide:sc= -0.481 K(o=-0.48,f=-3.7!) USER MOD Single : A 118 GLN : amide:sc= -5.06! C(o=-5.1!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.507 -8.491 -2.530 1.00 0.00 N ATOM 2 CA GLY A 1 -21.258 -8.341 -3.326 1.00 0.00 C ATOM 3 C GLY A 1 -21.150 -9.370 -4.434 1.00 0.00 C ATOM 4 O GLY A 1 -22.111 -9.605 -5.168 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.534 -7.765 -1.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.332 -8.378 -3.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.529 -9.435 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.224 -7.341 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.396 -8.432 -2.665 1.00 0.00 H new ATOM 10 N ALA A 2 -19.978 -9.984 -4.557 1.00 0.00 N ATOM 11 CA ALA A 2 -19.746 -10.993 -5.583 1.00 0.00 C ATOM 12 C ALA A 2 -18.655 -11.969 -5.157 1.00 0.00 C ATOM 13 O ALA A 2 -18.835 -13.186 -5.228 1.00 0.00 O ATOM 14 CB ALA A 2 -19.377 -10.330 -6.901 1.00 0.00 C ATOM 0 H ALA A 2 -19.173 -9.800 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.669 -11.557 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.207 -11.095 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.190 -9.678 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.470 -9.741 -6.770 1.00 0.00 H new ATOM 20 N MET A 3 -17.524 -11.429 -4.715 1.00 0.00 N ATOM 21 CA MET A 3 -16.403 -12.252 -4.277 1.00 0.00 C ATOM 22 C MET A 3 -16.282 -12.248 -2.755 1.00 0.00 C ATOM 23 O MET A 3 -16.321 -13.302 -2.121 1.00 0.00 O ATOM 24 CB MET A 3 -15.100 -11.760 -4.916 1.00 0.00 C ATOM 25 CG MET A 3 -14.867 -10.266 -4.760 1.00 0.00 C ATOM 26 SD MET A 3 -13.431 -9.683 -5.682 1.00 0.00 S ATOM 27 CE MET A 3 -12.124 -10.653 -4.934 1.00 0.00 C ATOM 0 H MET A 3 -17.360 -10.424 -4.651 1.00 0.00 H new ATOM 0 HA MET A 3 -16.588 -13.277 -4.599 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.262 -12.297 -4.471 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.110 -12.008 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.753 -9.728 -5.097 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.735 -10.032 -3.704 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.319 -9.992 -4.613 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.518 -11.191 -4.072 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.739 -11.367 -5.662 1.00 0.00 H new ATOM 37 N ASP A 4 -16.144 -11.056 -2.176 1.00 0.00 N ATOM 38 CA ASP A 4 -16.018 -10.909 -0.728 1.00 0.00 C ATOM 39 C ASP A 4 -14.961 -11.858 -0.166 1.00 0.00 C ATOM 40 O ASP A 4 -15.290 -12.893 0.414 1.00 0.00 O ATOM 41 CB ASP A 4 -17.366 -11.166 -0.051 1.00 0.00 C ATOM 42 CG ASP A 4 -18.437 -10.195 -0.506 1.00 0.00 C ATOM 43 OD1 ASP A 4 -19.100 -10.477 -1.526 1.00 0.00 O ATOM 44 OD2 ASP A 4 -18.614 -9.151 0.158 1.00 0.00 O ATOM 0 H ASP A 4 -16.117 -10.176 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.702 -9.887 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.689 -12.185 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.247 -11.090 1.030 1.00 0.00 H new ATOM 49 N ASN A 5 -13.693 -11.499 -0.340 1.00 0.00 N ATOM 50 CA ASN A 5 -12.595 -12.324 0.154 1.00 0.00 C ATOM 51 C ASN A 5 -12.597 -12.372 1.679 1.00 0.00 C ATOM 52 O ASN A 5 -12.682 -13.447 2.274 1.00 0.00 O ATOM 53 CB ASN A 5 -11.252 -11.792 -0.352 1.00 0.00 C ATOM 54 CG ASN A 5 -11.126 -11.878 -1.863 1.00 0.00 C ATOM 55 OD1 ASN A 5 -11.776 -12.702 -2.506 1.00 0.00 O ATOM 56 ND2 ASN A 5 -10.277 -11.029 -2.434 1.00 0.00 N ATOM 0 H ASN A 5 -13.401 -10.646 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.737 -13.336 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.134 -10.755 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.443 -12.358 0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.144 -11.044 -3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.759 -10.363 -1.861 1.00 0.00 H new ATOM 63 N VAL A 6 -12.504 -11.204 2.309 1.00 0.00 N ATOM 64 CA VAL A 6 -12.500 -11.120 3.767 1.00 0.00 C ATOM 65 C VAL A 6 -13.603 -10.197 4.273 1.00 0.00 C ATOM 66 O VAL A 6 -14.186 -9.431 3.505 1.00 0.00 O ATOM 67 CB VAL A 6 -11.144 -10.620 4.300 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.063 -11.662 4.064 1.00 0.00 C ATOM 69 CG2 VAL A 6 -10.769 -9.296 3.653 1.00 0.00 C ATOM 0 H VAL A 6 -12.431 -10.304 1.834 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.678 -12.129 4.138 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.234 -10.458 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.112 -11.292 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.328 -12.585 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.973 -11.857 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.808 -8.960 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.697 -9.426 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.533 -8.552 3.879 1.00 0.00 H new ATOM 79 N CYS A 7 -13.886 -10.274 5.571 1.00 0.00 N ATOM 80 CA CYS A 7 -14.921 -9.444 6.178 1.00 0.00 C ATOM 81 C CYS A 7 -14.565 -7.962 6.072 1.00 0.00 C ATOM 82 O CYS A 7 -15.070 -7.258 5.198 1.00 0.00 O ATOM 83 CB CYS A 7 -15.131 -9.840 7.642 1.00 0.00 C ATOM 84 SG CYS A 7 -13.601 -10.136 8.560 1.00 0.00 S ATOM 0 H CYS A 7 -13.413 -10.902 6.221 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.851 -9.609 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.694 -9.052 8.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -15.743 -10.741 7.678 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.583 -9.790 7.830 1.00 0.00 H new ATOM 90 N GLN A 8 -13.695 -7.495 6.963 1.00 0.00 N ATOM 91 CA GLN A 8 -13.274 -6.100 6.958 1.00 0.00 C ATOM 92 C GLN A 8 -11.752 -5.990 7.007 1.00 0.00 C ATOM 93 O GLN A 8 -11.075 -6.880 7.520 1.00 0.00 O ATOM 94 CB GLN A 8 -13.888 -5.346 8.133 1.00 0.00 C ATOM 95 CG GLN A 8 -15.405 -5.412 8.175 1.00 0.00 C ATOM 96 CD GLN A 8 -15.993 -4.589 9.306 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.178 -5.085 10.418 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.289 -3.325 9.026 1.00 0.00 N ATOM 0 H GLN A 8 -13.269 -8.062 7.696 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.626 -5.650 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.490 -5.753 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.580 -4.302 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.807 -5.058 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.717 -6.450 8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.119 -2.957 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.687 -2.723 9.747 1.00 0.00 H new ATOM 107 N PRO A 9 -11.196 -4.888 6.471 1.00 0.00 N ATOM 108 CA PRO A 9 -9.754 -4.661 6.438 1.00 0.00 C ATOM 109 C PRO A 9 -9.206 -4.006 7.700 1.00 0.00 C ATOM 110 O PRO A 9 -9.844 -4.001 8.753 1.00 0.00 O ATOM 111 CB PRO A 9 -9.607 -3.704 5.269 1.00 0.00 C ATOM 112 CG PRO A 9 -10.828 -2.864 5.354 1.00 0.00 C ATOM 113 CD PRO A 9 -11.929 -3.775 5.839 1.00 0.00 C ATOM 0 HA PRO A 9 -9.204 -5.598 6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.701 -3.104 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.551 -4.236 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.681 -2.031 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.075 -2.436 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.585 -3.271 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.556 -4.121 5.017 1.00 0.00 H new ATOM 121 N THR A 10 -8.008 -3.448 7.555 1.00 0.00 N ATOM 122 CA THR A 10 -7.298 -2.769 8.631 1.00 0.00 C ATOM 123 C THR A 10 -5.902 -2.411 8.141 1.00 0.00 C ATOM 124 O THR A 10 -5.421 -1.295 8.327 1.00 0.00 O ATOM 125 CB THR A 10 -7.187 -3.649 9.894 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.291 -3.047 10.837 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.701 -5.044 9.544 1.00 0.00 C ATOM 0 H THR A 10 -7.496 -3.456 6.673 1.00 0.00 H new ATOM 0 HA THR A 10 -7.859 -1.874 8.901 1.00 0.00 H new ATOM 0 HB THR A 10 -8.179 -3.730 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.228 -3.612 11.635 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.632 -5.644 10.452 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.403 -5.511 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.719 -4.980 9.075 1.00 0.00 H new ATOM 135 N GLU A 11 -5.276 -3.390 7.504 1.00 0.00 N ATOM 136 CA GLU A 11 -3.947 -3.249 6.930 1.00 0.00 C ATOM 137 C GLU A 11 -3.662 -4.444 6.047 1.00 0.00 C ATOM 138 O GLU A 11 -3.944 -5.583 6.421 1.00 0.00 O ATOM 139 CB GLU A 11 -2.877 -3.141 8.010 1.00 0.00 C ATOM 140 CG GLU A 11 -2.842 -4.331 8.948 1.00 0.00 C ATOM 141 CD GLU A 11 -1.705 -4.254 9.949 1.00 0.00 C ATOM 142 OE1 GLU A 11 -1.845 -3.523 10.952 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.676 -4.927 9.731 1.00 0.00 O ATOM 0 H GLU A 11 -5.682 -4.316 7.370 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.921 -2.330 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.902 -3.034 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.049 -2.235 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.789 -4.394 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.745 -5.246 8.364 1.00 0.00 H new ATOM 150 N PHE A 12 -3.110 -4.190 4.878 1.00 0.00 N ATOM 151 CA PHE A 12 -2.795 -5.273 3.966 1.00 0.00 C ATOM 152 C PHE A 12 -1.318 -5.247 3.628 1.00 0.00 C ATOM 153 O PHE A 12 -0.770 -4.218 3.235 1.00 0.00 O ATOM 154 CB PHE A 12 -3.676 -5.233 2.707 1.00 0.00 C ATOM 155 CG PHE A 12 -3.314 -4.188 1.686 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.374 -4.459 0.705 1.00 0.00 C ATOM 157 CD2 PHE A 12 -3.941 -2.951 1.684 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.064 -3.519 -0.257 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.631 -2.003 0.727 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.691 -2.291 -0.247 1.00 0.00 C ATOM 0 H PHE A 12 -2.873 -3.258 4.539 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.016 -6.219 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.636 -6.211 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.709 -5.071 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.877 -5.418 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.680 -2.726 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.331 -3.745 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.121 -1.041 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.449 -1.554 -0.999 1.00 0.00 H new ATOM 170 N ILE A 13 -0.679 -6.390 3.803 1.00 0.00 N ATOM 171 CA ILE A 13 0.741 -6.513 3.552 1.00 0.00 C ATOM 172 C ILE A 13 1.038 -6.691 2.076 1.00 0.00 C ATOM 173 O ILE A 13 0.806 -7.756 1.510 1.00 0.00 O ATOM 174 CB ILE A 13 1.340 -7.701 4.319 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.979 -7.618 5.802 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.847 -7.727 4.130 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.757 -8.970 6.442 1.00 0.00 C ATOM 0 H ILE A 13 -1.127 -7.250 4.120 1.00 0.00 H new ATOM 0 HA ILE A 13 1.196 -5.585 3.898 1.00 0.00 H new ATOM 0 HB ILE A 13 0.922 -8.627 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.776 -7.099 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.076 -7.018 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.268 -8.571 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.079 -7.828 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.277 -6.800 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.504 -8.837 7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.060 -9.483 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.666 -9.565 6.359 1.00 0.00 H new ATOM 189 N SER A 14 1.550 -5.644 1.453 1.00 0.00 N ATOM 190 CA SER A 14 1.904 -5.709 0.049 1.00 0.00 C ATOM 191 C SER A 14 3.395 -5.506 -0.110 1.00 0.00 C ATOM 192 O SER A 14 3.958 -4.524 0.375 1.00 0.00 O ATOM 193 CB SER A 14 1.148 -4.648 -0.748 1.00 0.00 C ATOM 194 OG SER A 14 0.917 -5.077 -2.074 1.00 0.00 O ATOM 0 H SER A 14 1.729 -4.743 1.896 1.00 0.00 H new ATOM 0 HA SER A 14 1.627 -6.691 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.197 -4.432 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.719 -3.720 -0.757 1.00 0.00 H new ATOM 0 HG SER A 14 1.157 -4.359 -2.697 1.00 0.00 H new ATOM 200 N ARG A 15 4.028 -6.439 -0.794 1.00 0.00 N ATOM 201 CA ARG A 15 5.447 -6.358 -1.040 1.00 0.00 C ATOM 202 C ARG A 15 5.668 -5.703 -2.382 1.00 0.00 C ATOM 203 O ARG A 15 4.766 -5.692 -3.217 1.00 0.00 O ATOM 204 CB ARG A 15 6.087 -7.743 -1.003 1.00 0.00 C ATOM 205 CG ARG A 15 6.414 -8.216 0.401 1.00 0.00 C ATOM 206 CD ARG A 15 7.074 -9.586 0.394 1.00 0.00 C ATOM 207 NE ARG A 15 6.131 -10.645 0.046 1.00 0.00 N ATOM 208 CZ ARG A 15 6.001 -11.774 0.738 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.754 -11.991 1.810 1.00 0.00 N ATOM 210 NH2 ARG A 15 5.119 -12.688 0.358 1.00 0.00 N ATOM 0 H ARG A 15 3.576 -7.264 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 15 5.918 -5.762 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.413 -8.460 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.001 -7.729 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.076 -7.496 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.500 -8.255 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.900 -9.587 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.500 -9.788 1.377 1.00 0.00 H new ATOM 0 HE ARG A 15 5.539 -10.512 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.435 -11.291 2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.652 -12.858 2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.539 -12.526 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.020 -13.553 0.889 1.00 0.00 H new ATOM 224 N HIS A 16 6.846 -5.147 -2.588 1.00 0.00 N ATOM 225 CA HIS A 16 7.135 -4.474 -3.838 1.00 0.00 C ATOM 226 C HIS A 16 8.611 -4.123 -3.947 1.00 0.00 C ATOM 227 O HIS A 16 9.388 -4.364 -3.025 1.00 0.00 O ATOM 228 CB HIS A 16 6.306 -3.196 -3.913 1.00 0.00 C ATOM 229 CG HIS A 16 6.588 -2.266 -2.780 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.837 -1.741 -2.546 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.789 -1.785 -1.796 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.802 -0.981 -1.474 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.570 -0.987 -1.000 1.00 0.00 N ATOM 0 H HIS A 16 7.611 -5.148 -1.913 1.00 0.00 H new ATOM 0 HA HIS A 16 6.883 -5.144 -4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.511 -2.688 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.247 -3.453 -3.913 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.664 -1.915 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.737 -1.991 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.639 -0.443 -1.053 1.00 0.00 H new ATOM 242 N ASN A 17 8.990 -3.546 -5.081 1.00 0.00 N ATOM 243 CA ASN A 17 10.366 -3.126 -5.294 1.00 0.00 C ATOM 244 C ASN A 17 10.519 -1.681 -4.839 1.00 0.00 C ATOM 245 O ASN A 17 9.542 -1.058 -4.430 1.00 0.00 O ATOM 246 CB ASN A 17 10.760 -3.268 -6.768 1.00 0.00 C ATOM 247 CG ASN A 17 9.792 -2.567 -7.700 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.073 -1.655 -7.297 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.777 -2.986 -8.959 1.00 0.00 N ATOM 0 H ASN A 17 8.364 -3.359 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 17 11.029 -3.766 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.760 -2.859 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.807 -4.326 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.152 -2.547 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.391 -3.747 -9.251 1.00 0.00 H new ATOM 256 N ILE A 18 11.727 -1.142 -4.905 1.00 0.00 N ATOM 257 CA ILE A 18 11.946 0.235 -4.482 1.00 0.00 C ATOM 258 C ILE A 18 10.960 1.179 -5.167 1.00 0.00 C ATOM 259 O ILE A 18 10.463 2.126 -4.558 1.00 0.00 O ATOM 260 CB ILE A 18 13.373 0.711 -4.785 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.577 2.123 -4.234 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.633 0.662 -6.282 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.452 2.212 -2.730 1.00 0.00 C ATOM 0 H ILE A 18 12.559 -1.627 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 18 11.792 0.254 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 18 14.087 0.048 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.564 2.480 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.847 2.791 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.648 1.002 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.514 -0.361 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.923 1.310 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.609 3.243 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.457 1.887 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.200 1.571 -2.264 1.00 0.00 H new ATOM 275 N GLU A 19 10.681 0.906 -6.440 1.00 0.00 N ATOM 276 CA GLU A 19 9.747 1.722 -7.215 1.00 0.00 C ATOM 277 C GLU A 19 8.389 1.724 -6.548 1.00 0.00 C ATOM 278 O GLU A 19 7.660 2.717 -6.571 1.00 0.00 O ATOM 279 CB GLU A 19 9.571 1.160 -8.628 1.00 0.00 C ATOM 280 CG GLU A 19 10.724 1.426 -9.572 1.00 0.00 C ATOM 281 CD GLU A 19 11.090 2.895 -9.655 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.472 3.617 -10.465 1.00 0.00 O ATOM 283 OE2 GLU A 19 11.996 3.325 -8.908 1.00 0.00 O ATOM 0 H GLU A 19 11.088 0.127 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 19 10.155 2.731 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.420 0.083 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.663 1.582 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.594 0.858 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.464 1.065 -10.567 1.00 0.00 H new ATOM 290 N GLY A 20 8.072 0.594 -5.941 1.00 0.00 N ATOM 291 CA GLY A 20 6.797 0.431 -5.288 1.00 0.00 C ATOM 292 C GLY A 20 5.961 -0.626 -5.976 1.00 0.00 C ATOM 293 O GLY A 20 4.898 -1.006 -5.485 1.00 0.00 O ATOM 0 H GLY A 20 8.684 -0.221 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.952 0.154 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.261 1.380 -5.289 1.00 0.00 H new ATOM 297 N ILE A 21 6.449 -1.100 -7.125 1.00 0.00 N ATOM 298 CA ILE A 21 5.761 -2.125 -7.884 1.00 0.00 C ATOM 299 C ILE A 21 5.509 -3.344 -7.022 1.00 0.00 C ATOM 300 O ILE A 21 6.442 -4.034 -6.614 1.00 0.00 O ATOM 301 CB ILE A 21 6.574 -2.558 -9.098 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.131 -1.327 -9.831 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.702 -3.423 -9.992 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.103 -0.526 -10.594 1.00 0.00 C ATOM 0 H ILE A 21 7.323 -0.783 -7.544 1.00 0.00 H new ATOM 0 HA ILE A 21 4.816 -1.696 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 21 7.433 -3.153 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.612 -0.674 -9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.905 -1.654 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.275 -3.738 -10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.372 -4.302 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.833 -2.851 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.588 0.322 -11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.638 -1.158 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.340 -0.163 -9.905 1.00 0.00 H new ATOM 316 N PHE A 22 4.244 -3.629 -6.799 1.00 0.00 N ATOM 317 CA PHE A 22 3.840 -4.730 -5.947 1.00 0.00 C ATOM 318 C PHE A 22 4.318 -6.088 -6.439 1.00 0.00 C ATOM 319 O PHE A 22 3.839 -6.609 -7.444 1.00 0.00 O ATOM 320 CB PHE A 22 2.326 -4.735 -5.829 1.00 0.00 C ATOM 321 CG PHE A 22 1.785 -3.645 -4.943 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.422 -3.295 -3.759 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.633 -2.972 -5.296 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.907 -2.293 -2.954 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.117 -1.977 -4.498 1.00 0.00 C ATOM 326 CZ PHE A 22 0.753 -1.636 -3.329 1.00 0.00 C ATOM 0 H PHE A 22 3.467 -3.106 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 22 4.310 -4.571 -4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.892 -4.631 -6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.004 -5.701 -5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.325 -3.808 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.128 -3.231 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.407 -2.026 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.787 -1.464 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.350 -0.854 -2.703 1.00 0.00 H new ATOM 336 N THR A 23 5.270 -6.655 -5.713 1.00 0.00 N ATOM 337 CA THR A 23 5.782 -7.975 -6.020 1.00 0.00 C ATOM 338 C THR A 23 4.921 -9.002 -5.290 1.00 0.00 C ATOM 339 O THR A 23 5.093 -10.212 -5.434 1.00 0.00 O ATOM 340 CB THR A 23 7.253 -8.114 -5.599 1.00 0.00 C ATOM 341 OG1 THR A 23 7.381 -7.940 -4.183 1.00 0.00 O ATOM 342 CG2 THR A 23 8.101 -7.082 -6.325 1.00 0.00 C ATOM 0 H THR A 23 5.704 -6.215 -4.902 1.00 0.00 H new ATOM 0 HA THR A 23 5.738 -8.140 -7.097 1.00 0.00 H new ATOM 0 HB THR A 23 7.601 -9.112 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.322 -8.032 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.142 -7.188 -6.021 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.020 -7.236 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.750 -6.081 -6.075 1.00 0.00 H new ATOM 350 N PHE A 24 3.985 -8.467 -4.502 1.00 0.00 N ATOM 351 CA PHE A 24 3.039 -9.252 -3.724 1.00 0.00 C ATOM 352 C PHE A 24 2.027 -8.319 -3.069 1.00 0.00 C ATOM 353 O PHE A 24 2.331 -7.163 -2.790 1.00 0.00 O ATOM 354 CB PHE A 24 3.746 -10.083 -2.647 1.00 0.00 C ATOM 355 CG PHE A 24 2.811 -10.617 -1.589 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.177 -11.838 -1.757 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.552 -9.886 -0.435 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.305 -12.321 -0.796 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.679 -10.364 0.525 1.00 0.00 C ATOM 360 CZ PHE A 24 1.056 -11.581 0.345 1.00 0.00 C ATOM 0 H PHE A 24 3.866 -7.460 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 24 2.533 -9.941 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.259 -10.919 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.510 -9.470 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.365 -12.419 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.039 -8.933 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.820 -13.275 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.485 -9.784 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.374 -11.956 1.094 1.00 0.00 H new ATOM 370 N VAL A 25 0.820 -8.819 -2.853 1.00 0.00 N ATOM 371 CA VAL A 25 -0.234 -8.046 -2.209 1.00 0.00 C ATOM 372 C VAL A 25 -1.124 -8.970 -1.402 1.00 0.00 C ATOM 373 O VAL A 25 -1.630 -9.971 -1.905 1.00 0.00 O ATOM 374 CB VAL A 25 -1.101 -7.250 -3.213 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.859 -6.143 -2.505 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.263 -6.670 -4.335 1.00 0.00 C ATOM 0 H VAL A 25 0.543 -9.765 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 25 0.258 -7.320 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.816 -7.947 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.463 -5.595 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.509 -6.576 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.151 -5.462 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.905 -6.118 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.487 -5.997 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.233 -7.478 -4.873 1.00 0.00 H new ATOM 386 N ASP A 26 -1.282 -8.639 -0.138 1.00 0.00 N ATOM 387 CA ASP A 26 -2.106 -9.417 0.765 1.00 0.00 C ATOM 388 C ASP A 26 -3.586 -9.228 0.410 1.00 0.00 C ATOM 389 O ASP A 26 -4.047 -8.105 0.219 1.00 0.00 O ATOM 390 CB ASP A 26 -1.783 -8.998 2.195 1.00 0.00 C ATOM 391 CG ASP A 26 -2.862 -9.364 3.191 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.245 -10.551 3.241 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.315 -8.468 3.930 1.00 0.00 O ATOM 0 H ASP A 26 -0.844 -7.825 0.293 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.896 -10.482 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.846 -9.465 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.625 -7.920 2.222 1.00 0.00 H new ATOM 398 N HIS A 27 -4.313 -10.344 0.312 1.00 0.00 N ATOM 399 CA HIS A 27 -5.731 -10.347 -0.080 1.00 0.00 C ATOM 400 C HIS A 27 -6.607 -9.363 0.697 1.00 0.00 C ATOM 401 O HIS A 27 -7.748 -9.124 0.306 1.00 0.00 O ATOM 402 CB HIS A 27 -6.304 -11.763 0.011 1.00 0.00 C ATOM 403 CG HIS A 27 -6.361 -12.317 1.402 1.00 0.00 C ATOM 404 ND1 HIS A 27 -7.506 -12.857 1.951 1.00 0.00 N ATOM 405 CD2 HIS A 27 -5.402 -12.434 2.350 1.00 0.00 C ATOM 406 CE1 HIS A 27 -7.246 -13.282 3.175 1.00 0.00 C ATOM 407 NE2 HIS A 27 -5.978 -13.038 3.441 1.00 0.00 N ATOM 0 H HIS A 27 -3.938 -11.273 0.502 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.752 -10.000 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.310 -11.763 -0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.700 -12.427 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.375 -12.112 2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.953 -13.750 3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.502 -13.261 4.315 1.00 0.00 H new ATOM 416 N ARG A 28 -6.109 -8.799 1.787 1.00 0.00 N ATOM 417 CA ARG A 28 -6.897 -7.830 2.544 1.00 0.00 C ATOM 418 C ARG A 28 -7.091 -6.564 1.717 1.00 0.00 C ATOM 419 O ARG A 28 -8.046 -5.813 1.908 1.00 0.00 O ATOM 420 CB ARG A 28 -6.224 -7.482 3.870 1.00 0.00 C ATOM 421 CG ARG A 28 -6.595 -8.418 5.006 1.00 0.00 C ATOM 422 CD ARG A 28 -6.672 -7.673 6.328 1.00 0.00 C ATOM 423 NE ARG A 28 -6.995 -8.563 7.440 1.00 0.00 N ATOM 424 CZ ARG A 28 -6.297 -8.616 8.571 1.00 0.00 C ATOM 425 NH1 ARG A 28 -5.237 -7.836 8.737 1.00 0.00 N ATOM 426 NH2 ARG A 28 -6.657 -9.451 9.536 1.00 0.00 N ATOM 0 H ARG A 28 -5.181 -8.989 2.164 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.866 -8.279 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.143 -7.500 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.493 -6.463 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.555 -8.889 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.857 -9.217 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.719 -7.181 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.427 -6.890 6.259 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.802 -9.179 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.955 -7.194 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.703 -7.879 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.470 -10.054 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.121 -9.490 10.403 1.00 0.00 H new ATOM 440 N CYS A 29 -6.156 -6.350 0.801 1.00 0.00 N ATOM 441 CA CYS A 29 -6.146 -5.193 -0.076 1.00 0.00 C ATOM 442 C CYS A 29 -7.488 -4.935 -0.762 1.00 0.00 C ATOM 443 O CYS A 29 -7.780 -3.803 -1.122 1.00 0.00 O ATOM 444 CB CYS A 29 -5.066 -5.387 -1.130 1.00 0.00 C ATOM 445 SG CYS A 29 -5.325 -6.826 -2.186 1.00 0.00 S ATOM 0 H CYS A 29 -5.373 -6.986 0.646 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.944 -4.320 0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.017 -4.495 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.100 -5.482 -0.633 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.295 -6.585 -3.017 1.00 0.00 H new ATOM 451 N VAL A 30 -8.297 -5.965 -0.973 1.00 0.00 N ATOM 452 CA VAL A 30 -9.584 -5.754 -1.632 1.00 0.00 C ATOM 453 C VAL A 30 -10.594 -5.140 -0.662 1.00 0.00 C ATOM 454 O VAL A 30 -11.476 -4.389 -1.064 1.00 0.00 O ATOM 455 CB VAL A 30 -10.144 -7.049 -2.262 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.126 -8.172 -2.193 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.443 -7.460 -1.605 1.00 0.00 C ATOM 0 H VAL A 30 -8.096 -6.929 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.413 -5.053 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.351 -6.843 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.546 -9.072 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.226 -7.881 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.874 -8.371 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.812 -8.374 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.274 -7.636 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.180 -6.667 -1.729 1.00 0.00 H new ATOM 467 N ALA A 31 -10.485 -5.484 0.612 1.00 0.00 N ATOM 468 CA ALA A 31 -11.370 -4.920 1.618 1.00 0.00 C ATOM 469 C ALA A 31 -10.872 -3.540 2.010 1.00 0.00 C ATOM 470 O ALA A 31 -11.638 -2.668 2.420 1.00 0.00 O ATOM 471 CB ALA A 31 -11.437 -5.818 2.838 1.00 0.00 C ATOM 0 H ALA A 31 -9.798 -6.146 0.972 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.374 -4.840 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.105 -5.377 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.814 -6.799 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.440 -5.925 3.266 1.00 0.00 H new ATOM 477 N THR A 32 -9.567 -3.359 1.846 1.00 0.00 N ATOM 478 CA THR A 32 -8.887 -2.118 2.194 1.00 0.00 C ATOM 479 C THR A 32 -8.999 -1.055 1.105 1.00 0.00 C ATOM 480 O THR A 32 -9.512 0.037 1.343 1.00 0.00 O ATOM 481 CB THR A 32 -7.399 -2.405 2.421 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.240 -3.567 3.242 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.710 -1.227 3.071 1.00 0.00 C ATOM 0 H THR A 32 -8.947 -4.074 1.465 1.00 0.00 H new ATOM 0 HA THR A 32 -9.369 -1.735 3.094 1.00 0.00 H new ATOM 0 HB THR A 32 -6.939 -2.581 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.429 -4.370 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.655 -1.459 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.802 -0.352 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.175 -1.020 4.035 1.00 0.00 H new ATOM 491 N VAL A 33 -8.517 -1.384 -0.086 1.00 0.00 N ATOM 492 CA VAL A 33 -8.532 -0.455 -1.206 1.00 0.00 C ATOM 493 C VAL A 33 -9.393 -0.964 -2.350 1.00 0.00 C ATOM 494 O VAL A 33 -9.366 -0.415 -3.450 1.00 0.00 O ATOM 495 CB VAL A 33 -7.105 -0.187 -1.707 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.319 0.534 -0.631 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.419 -1.486 -2.077 1.00 0.00 C ATOM 0 H VAL A 33 -8.108 -2.294 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.967 0.477 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.153 0.439 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.306 0.724 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.806 1.481 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.279 -0.084 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.409 -1.277 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.371 -2.134 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.983 -1.983 -2.866 1.00 0.00 H new ATOM 507 N GLY A 34 -10.142 -2.026 -2.091 1.00 0.00 N ATOM 508 CA GLY A 34 -11.021 -2.579 -3.117 1.00 0.00 C ATOM 509 C GLY A 34 -10.279 -3.399 -4.149 1.00 0.00 C ATOM 510 O GLY A 34 -10.822 -4.350 -4.712 1.00 0.00 O ATOM 0 H GLY A 34 -10.162 -2.516 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.779 -3.202 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.546 -1.764 -3.616 1.00 0.00 H new ATOM 514 N TYR A 35 -9.034 -3.025 -4.391 1.00 0.00 N ATOM 515 CA TYR A 35 -8.198 -3.700 -5.368 1.00 0.00 C ATOM 516 C TYR A 35 -7.731 -5.062 -4.893 1.00 0.00 C ATOM 517 O TYR A 35 -7.070 -5.179 -3.862 1.00 0.00 O ATOM 518 CB TYR A 35 -6.995 -2.830 -5.679 1.00 0.00 C ATOM 519 CG TYR A 35 -7.397 -1.537 -6.313 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.145 -1.531 -7.477 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.062 -0.331 -5.735 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.546 -0.358 -8.055 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.457 0.857 -6.305 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.200 0.842 -7.469 1.00 0.00 C ATOM 525 OH TYR A 35 -8.598 2.027 -8.047 1.00 0.00 O ATOM 0 H TYR A 35 -8.576 -2.247 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.800 -3.860 -6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.444 -2.629 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.320 -3.367 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.417 -2.469 -7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.482 -0.319 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.129 -0.371 -8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.188 1.796 -5.845 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.375 2.381 -7.566 1.00 0.00 H new ATOM 535 N GLN A 36 -8.084 -6.092 -5.651 1.00 0.00 N ATOM 536 CA GLN A 36 -7.665 -7.441 -5.339 1.00 0.00 C ATOM 537 C GLN A 36 -6.140 -7.488 -5.355 1.00 0.00 C ATOM 538 O GLN A 36 -5.512 -6.614 -5.950 1.00 0.00 O ATOM 539 CB GLN A 36 -8.231 -8.412 -6.377 1.00 0.00 C ATOM 540 CG GLN A 36 -9.730 -8.274 -6.589 1.00 0.00 C ATOM 541 CD GLN A 36 -10.230 -9.074 -7.778 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.360 -9.560 -7.782 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.390 -9.210 -8.799 1.00 0.00 N ATOM 0 H GLN A 36 -8.662 -6.012 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.035 -7.731 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.722 -8.251 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.009 -9.433 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.252 -8.603 -5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.977 -7.222 -6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.461 -8.791 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.674 -9.734 -9.627 1.00 0.00 H new ATOM 552 N PRO A 37 -5.507 -8.468 -4.696 1.00 0.00 N ATOM 553 CA PRO A 37 -4.057 -8.552 -4.690 1.00 0.00 C ATOM 554 C PRO A 37 -3.482 -8.450 -6.092 1.00 0.00 C ATOM 555 O PRO A 37 -2.476 -7.783 -6.304 1.00 0.00 O ATOM 556 CB PRO A 37 -3.750 -9.913 -4.092 1.00 0.00 C ATOM 557 CG PRO A 37 -5.000 -10.405 -3.454 1.00 0.00 C ATOM 558 CD PRO A 37 -6.138 -9.529 -3.904 1.00 0.00 C ATOM 0 HA PRO A 37 -3.614 -7.733 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.414 -10.605 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.947 -9.839 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.186 -11.442 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.908 -10.379 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.858 -10.091 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.680 -9.117 -3.053 1.00 0.00 H new ATOM 566 N GLN A 38 -4.124 -9.119 -7.046 1.00 0.00 N ATOM 567 CA GLN A 38 -3.679 -9.078 -8.432 1.00 0.00 C ATOM 568 C GLN A 38 -3.966 -7.706 -9.029 1.00 0.00 C ATOM 569 O GLN A 38 -3.279 -7.255 -9.946 1.00 0.00 O ATOM 570 CB GLN A 38 -4.363 -10.164 -9.250 1.00 0.00 C ATOM 571 CG GLN A 38 -5.865 -10.018 -9.270 1.00 0.00 C ATOM 572 CD GLN A 38 -6.515 -10.759 -10.421 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.917 -10.930 -11.484 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.751 -11.204 -10.216 1.00 0.00 N ATOM 0 H GLN A 38 -4.951 -9.694 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.604 -9.259 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.986 -10.136 -10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.102 -11.140 -8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.273 -10.388 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.121 -8.961 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.210 -11.041 -9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.240 -11.709 -10.955 1.00 0.00 H new ATOM 583 N GLU A 39 -4.991 -7.051 -8.492 1.00 0.00 N ATOM 584 CA GLU A 39 -5.382 -5.722 -8.936 1.00 0.00 C ATOM 585 C GLU A 39 -4.328 -4.703 -8.521 1.00 0.00 C ATOM 586 O GLU A 39 -4.365 -3.543 -8.933 1.00 0.00 O ATOM 587 CB GLU A 39 -6.734 -5.353 -8.324 1.00 0.00 C ATOM 588 CG GLU A 39 -7.813 -5.040 -9.346 1.00 0.00 C ATOM 589 CD GLU A 39 -9.196 -5.442 -8.874 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.694 -4.833 -7.908 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.778 -6.373 -9.470 1.00 0.00 O ATOM 0 H GLU A 39 -5.570 -7.426 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.467 -5.718 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.073 -6.176 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.602 -4.488 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.803 -3.972 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.586 -5.557 -10.278 1.00 0.00 H new ATOM 598 N LEU A 40 -3.388 -5.156 -7.697 1.00 0.00 N ATOM 599 CA LEU A 40 -2.311 -4.312 -7.203 1.00 0.00 C ATOM 600 C LEU A 40 -0.963 -4.822 -7.697 1.00 0.00 C ATOM 601 O LEU A 40 -0.075 -4.045 -8.034 1.00 0.00 O ATOM 602 CB LEU A 40 -2.327 -4.312 -5.675 1.00 0.00 C ATOM 603 CG LEU A 40 -3.037 -3.149 -4.973 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.561 -2.106 -5.950 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.165 -3.699 -4.121 1.00 0.00 C ATOM 0 H LEU A 40 -3.353 -6.116 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.459 -3.298 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.794 -5.240 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.294 -4.334 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.307 -2.639 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.054 -1.306 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.730 -1.693 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.274 -2.571 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.675 -2.877 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.873 -4.232 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.758 -4.383 -3.377 1.00 0.00 H new ATOM 617 N LEU A 41 -0.833 -6.140 -7.738 1.00 0.00 N ATOM 618 CA LEU A 41 0.394 -6.796 -8.168 1.00 0.00 C ATOM 619 C LEU A 41 0.879 -6.264 -9.510 1.00 0.00 C ATOM 620 O LEU A 41 0.118 -6.180 -10.475 1.00 0.00 O ATOM 621 CB LEU A 41 0.166 -8.308 -8.246 1.00 0.00 C ATOM 622 CG LEU A 41 0.385 -9.064 -6.932 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.596 -10.222 -6.798 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.820 -9.563 -6.841 1.00 0.00 C ATOM 0 H LEU A 41 -1.577 -6.786 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 41 1.170 -6.580 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.853 -8.489 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.833 -8.722 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 41 0.204 -8.374 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.419 -10.742 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.616 -9.838 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.456 -10.915 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.960 -10.098 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.026 -10.234 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.503 -8.715 -6.881 1.00 0.00 H new ATOM 636 N GLY A 42 2.157 -5.909 -9.554 1.00 0.00 N ATOM 637 CA GLY A 42 2.749 -5.388 -10.767 1.00 0.00 C ATOM 638 C GLY A 42 2.523 -3.899 -10.922 1.00 0.00 C ATOM 639 O GLY A 42 3.059 -3.273 -11.836 1.00 0.00 O ATOM 0 H GLY A 42 2.797 -5.974 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.820 -5.592 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.328 -5.909 -11.627 1.00 0.00 H new ATOM 643 N LYS A 43 1.729 -3.333 -10.022 1.00 0.00 N ATOM 644 CA LYS A 43 1.427 -1.912 -10.056 1.00 0.00 C ATOM 645 C LYS A 43 2.245 -1.151 -9.035 1.00 0.00 C ATOM 646 O LYS A 43 2.479 -1.626 -7.925 1.00 0.00 O ATOM 647 CB LYS A 43 -0.049 -1.665 -9.770 1.00 0.00 C ATOM 648 CG LYS A 43 -0.978 -2.530 -10.584 1.00 0.00 C ATOM 649 CD LYS A 43 -2.301 -1.838 -10.845 1.00 0.00 C ATOM 650 CE LYS A 43 -2.962 -2.349 -12.114 1.00 0.00 C ATOM 651 NZ LYS A 43 -4.279 -1.697 -12.356 1.00 0.00 N ATOM 0 H LYS A 43 1.282 -3.840 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 43 1.676 -1.558 -11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.239 -1.840 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.277 -0.617 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.504 -2.780 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.155 -3.469 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.968 -1.997 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.140 -0.763 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.305 -2.166 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.099 -3.428 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.697 -2.073 -13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.915 -1.892 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.146 -0.670 -12.450 1.00 0.00 H new ATOM 665 N ASN A 44 2.669 0.036 -9.419 1.00 0.00 N ATOM 666 CA ASN A 44 3.433 0.888 -8.528 1.00 0.00 C ATOM 667 C ASN A 44 2.516 1.384 -7.422 1.00 0.00 C ATOM 668 O ASN A 44 1.535 2.077 -7.676 1.00 0.00 O ATOM 669 CB ASN A 44 4.028 2.068 -9.301 1.00 0.00 C ATOM 670 CG ASN A 44 5.170 2.736 -8.570 1.00 0.00 C ATOM 671 OD1 ASN A 44 4.960 3.575 -7.699 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.385 2.377 -8.942 1.00 0.00 N ATOM 0 H ASN A 44 2.498 0.434 -10.343 1.00 0.00 H new ATOM 0 HA ASN A 44 4.257 0.322 -8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.380 1.719 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.246 2.803 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.200 2.802 -8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.508 1.675 -9.671 1.00 0.00 H new ATOM 679 N ILE A 45 2.824 0.988 -6.198 1.00 0.00 N ATOM 680 CA ILE A 45 2.039 1.373 -5.040 1.00 0.00 C ATOM 681 C ILE A 45 1.760 2.874 -5.021 1.00 0.00 C ATOM 682 O ILE A 45 0.648 3.303 -4.709 1.00 0.00 O ATOM 683 CB ILE A 45 2.776 0.975 -3.754 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.943 1.302 -2.523 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.111 1.677 -3.696 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.600 0.896 -1.220 1.00 0.00 C ATOM 0 H ILE A 45 3.623 0.392 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 45 1.084 0.851 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 45 2.940 -0.103 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.746 2.374 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.978 0.802 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.632 1.393 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.711 1.390 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.955 2.756 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.949 1.160 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.772 -0.180 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.552 1.416 -1.115 1.00 0.00 H new ATOM 698 N VAL A 46 2.767 3.669 -5.370 1.00 0.00 N ATOM 699 CA VAL A 46 2.619 5.117 -5.371 1.00 0.00 C ATOM 700 C VAL A 46 1.693 5.581 -6.493 1.00 0.00 C ATOM 701 O VAL A 46 1.070 6.635 -6.383 1.00 0.00 O ATOM 702 CB VAL A 46 3.975 5.861 -5.426 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.118 4.926 -5.079 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.198 6.542 -6.769 1.00 0.00 C ATOM 0 H VAL A 46 3.688 3.336 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 46 2.159 5.377 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 46 3.946 6.651 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.061 5.471 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.974 4.533 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.142 4.101 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.161 7.052 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.188 5.794 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.404 7.268 -6.945 1.00 0.00 H new ATOM 714 N GLU A 47 1.628 4.817 -7.587 1.00 0.00 N ATOM 715 CA GLU A 47 0.744 5.173 -8.694 1.00 0.00 C ATOM 716 C GLU A 47 -0.668 5.403 -8.170 1.00 0.00 C ATOM 717 O GLU A 47 -1.431 6.192 -8.728 1.00 0.00 O ATOM 718 CB GLU A 47 0.736 4.085 -9.771 1.00 0.00 C ATOM 719 CG GLU A 47 1.758 4.311 -10.873 1.00 0.00 C ATOM 720 CD GLU A 47 1.668 3.272 -11.974 1.00 0.00 C ATOM 721 OE1 GLU A 47 0.766 3.390 -12.829 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.500 2.339 -11.979 1.00 0.00 O ATOM 0 H GLU A 47 2.168 3.963 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 47 1.117 6.091 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.928 3.120 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.258 4.032 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.612 5.303 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.760 4.294 -10.444 1.00 0.00 H new ATOM 729 N PHE A 48 -1.005 4.704 -7.091 1.00 0.00 N ATOM 730 CA PHE A 48 -2.307 4.855 -6.457 1.00 0.00 C ATOM 731 C PHE A 48 -2.220 5.974 -5.442 1.00 0.00 C ATOM 732 O PHE A 48 -3.168 6.730 -5.235 1.00 0.00 O ATOM 733 CB PHE A 48 -2.729 3.568 -5.752 1.00 0.00 C ATOM 734 CG PHE A 48 -2.886 2.401 -6.672 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.789 1.639 -7.037 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.134 2.062 -7.166 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.941 0.551 -7.884 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.287 0.983 -8.010 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.190 0.229 -8.368 1.00 0.00 C ATOM 0 H PHE A 48 -0.392 4.026 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.049 5.082 -7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.989 3.322 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.673 3.741 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.809 1.893 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.997 2.649 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.083 -0.042 -8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.265 0.729 -8.390 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.310 -0.616 -9.030 1.00 0.00 H new ATOM 749 N CYS A 49 -1.057 6.056 -4.812 1.00 0.00 N ATOM 750 CA CYS A 49 -0.784 7.082 -3.813 1.00 0.00 C ATOM 751 C CYS A 49 -0.994 8.474 -4.396 1.00 0.00 C ATOM 752 O CYS A 49 -0.716 8.708 -5.571 1.00 0.00 O ATOM 753 CB CYS A 49 0.655 6.961 -3.316 1.00 0.00 C ATOM 754 SG CYS A 49 1.193 8.325 -2.259 1.00 0.00 S ATOM 0 H CYS A 49 -0.279 5.417 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.474 6.936 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.759 6.026 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.321 6.899 -4.177 1.00 0.00 H new ATOM 0 HG CYS A 49 1.002 9.453 -2.876 1.00 0.00 H new ATOM 760 N HIS A 50 -1.489 9.393 -3.574 1.00 0.00 N ATOM 761 CA HIS A 50 -1.701 10.763 -4.019 1.00 0.00 C ATOM 762 C HIS A 50 -0.370 11.339 -4.493 1.00 0.00 C ATOM 763 O HIS A 50 0.642 11.162 -3.823 1.00 0.00 O ATOM 764 CB HIS A 50 -2.289 11.604 -2.880 1.00 0.00 C ATOM 765 CG HIS A 50 -2.750 12.967 -3.291 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.919 13.902 -3.872 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.968 13.557 -3.191 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.603 15.008 -4.111 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.847 14.823 -3.708 1.00 0.00 N ATOM 0 H HIS A 50 -1.749 9.215 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.412 10.780 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.131 11.065 -2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.538 11.709 -2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.864 13.114 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.211 15.909 -4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.598 15.511 -3.771 1.00 0.00 H new ATOM 778 N PRO A 51 -0.342 12.015 -5.656 1.00 0.00 N ATOM 779 CA PRO A 51 0.891 12.577 -6.215 1.00 0.00 C ATOM 780 C PRO A 51 1.750 13.312 -5.190 1.00 0.00 C ATOM 781 O PRO A 51 2.915 12.965 -4.984 1.00 0.00 O ATOM 782 CB PRO A 51 0.371 13.536 -7.280 1.00 0.00 C ATOM 783 CG PRO A 51 -0.890 12.902 -7.744 1.00 0.00 C ATOM 784 CD PRO A 51 -1.504 12.300 -6.516 1.00 0.00 C ATOM 0 HA PRO A 51 1.554 11.799 -6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.192 14.530 -6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.084 13.652 -8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.556 13.636 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.693 12.141 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.200 12.988 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.063 11.394 -6.749 1.00 0.00 H new ATOM 792 N GLU A 52 1.173 14.321 -4.548 1.00 0.00 N ATOM 793 CA GLU A 52 1.890 15.110 -3.554 1.00 0.00 C ATOM 794 C GLU A 52 2.429 14.240 -2.420 1.00 0.00 C ATOM 795 O GLU A 52 3.312 14.659 -1.671 1.00 0.00 O ATOM 796 CB GLU A 52 0.964 16.182 -2.989 1.00 0.00 C ATOM 797 CG GLU A 52 0.561 17.217 -4.018 1.00 0.00 C ATOM 798 CD GLU A 52 1.534 18.379 -4.091 1.00 0.00 C ATOM 799 OE1 GLU A 52 2.582 18.235 -4.755 1.00 0.00 O ATOM 800 OE2 GLU A 52 1.248 19.431 -3.482 1.00 0.00 O ATOM 0 H GLU A 52 0.207 14.613 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 52 2.743 15.576 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.068 15.707 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.459 16.680 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.493 16.743 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.433 17.595 -3.778 1.00 0.00 H new ATOM 807 N ASP A 53 1.893 13.032 -2.304 1.00 0.00 N ATOM 808 CA ASP A 53 2.307 12.106 -1.254 1.00 0.00 C ATOM 809 C ASP A 53 3.222 10.997 -1.769 1.00 0.00 C ATOM 810 O ASP A 53 3.897 10.340 -0.976 1.00 0.00 O ATOM 811 CB ASP A 53 1.082 11.476 -0.594 1.00 0.00 C ATOM 812 CG ASP A 53 0.287 12.474 0.226 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.584 12.624 1.429 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.632 13.106 -0.337 1.00 0.00 O ATOM 0 H ASP A 53 1.169 12.669 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 53 2.872 12.692 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.439 11.048 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.401 10.655 0.048 1.00 0.00 H new ATOM 819 N GLN A 54 3.251 10.773 -3.084 1.00 0.00 N ATOM 820 CA GLN A 54 4.088 9.722 -3.635 1.00 0.00 C ATOM 821 C GLN A 54 5.547 9.951 -3.278 1.00 0.00 C ATOM 822 O GLN A 54 6.283 9.008 -3.013 1.00 0.00 O ATOM 823 CB GLN A 54 3.932 9.629 -5.148 1.00 0.00 C ATOM 824 CG GLN A 54 2.497 9.640 -5.622 1.00 0.00 C ATOM 825 CD GLN A 54 2.383 9.584 -7.131 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.252 10.075 -7.850 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.304 8.987 -7.620 1.00 0.00 N ATOM 0 H GLN A 54 2.712 11.299 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 54 3.762 8.779 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.462 10.462 -5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.412 8.714 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.969 8.790 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.004 10.541 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.608 8.593 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.170 8.922 -8.629 1.00 0.00 H new ATOM 836 N GLN A 55 5.961 11.213 -3.273 1.00 0.00 N ATOM 837 CA GLN A 55 7.335 11.552 -2.939 1.00 0.00 C ATOM 838 C GLN A 55 7.671 11.080 -1.530 1.00 0.00 C ATOM 839 O GLN A 55 8.813 10.730 -1.234 1.00 0.00 O ATOM 840 CB GLN A 55 7.562 13.059 -3.059 1.00 0.00 C ATOM 841 CG GLN A 55 8.994 13.482 -2.772 1.00 0.00 C ATOM 842 CD GLN A 55 9.988 12.888 -3.747 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.259 13.460 -4.803 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.543 11.736 -3.393 1.00 0.00 N ATOM 0 H GLN A 55 5.367 12.012 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 55 7.994 11.045 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.291 13.380 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.894 13.575 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.061 14.569 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.261 13.180 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.288 11.298 -2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.225 11.289 -4.006 1.00 0.00 H new ATOM 853 N LEU A 56 6.659 11.069 -0.673 1.00 0.00 N ATOM 854 CA LEU A 56 6.812 10.642 0.702 1.00 0.00 C ATOM 855 C LEU A 56 6.805 9.127 0.781 1.00 0.00 C ATOM 856 O LEU A 56 7.530 8.527 1.574 1.00 0.00 O ATOM 857 CB LEU A 56 5.681 11.230 1.548 1.00 0.00 C ATOM 858 CG LEU A 56 5.423 10.538 2.885 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.905 11.399 4.040 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.944 10.216 3.027 1.00 0.00 C ATOM 0 H LEU A 56 5.711 11.357 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 56 7.766 11.001 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.904 12.279 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.762 11.202 0.962 1.00 0.00 H new ATOM 0 HG LEU A 56 5.985 9.605 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.711 10.886 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.975 11.578 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.375 12.351 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.769 9.723 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.365 11.138 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.636 9.556 2.216 1.00 0.00 H new ATOM 872 N LEU A 57 5.975 8.517 -0.050 1.00 0.00 N ATOM 873 CA LEU A 57 5.867 7.072 -0.094 1.00 0.00 C ATOM 874 C LEU A 57 7.175 6.471 -0.575 1.00 0.00 C ATOM 875 O LEU A 57 7.790 5.650 0.107 1.00 0.00 O ATOM 876 CB LEU A 57 4.727 6.664 -1.024 1.00 0.00 C ATOM 877 CG LEU A 57 4.363 5.183 -0.985 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.067 4.755 0.439 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.174 4.902 -1.891 1.00 0.00 C ATOM 0 H LEU A 57 5.364 9.005 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 57 5.655 6.699 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.842 7.247 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.999 6.929 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 57 5.211 4.604 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.808 3.696 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.947 4.923 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.232 5.338 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.929 3.841 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.316 5.486 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.424 5.178 -2.915 1.00 0.00 H new ATOM 891 N ARG A 58 7.586 6.888 -1.763 1.00 0.00 N ATOM 892 CA ARG A 58 8.833 6.430 -2.350 1.00 0.00 C ATOM 893 C ARG A 58 9.985 6.727 -1.402 1.00 0.00 C ATOM 894 O ARG A 58 10.914 5.932 -1.275 1.00 0.00 O ATOM 895 CB ARG A 58 9.071 7.115 -3.696 1.00 0.00 C ATOM 896 CG ARG A 58 7.903 6.990 -4.661 1.00 0.00 C ATOM 897 CD ARG A 58 8.134 7.814 -5.917 1.00 0.00 C ATOM 898 NE ARG A 58 6.889 8.136 -6.607 1.00 0.00 N ATOM 899 CZ ARG A 58 6.839 8.628 -7.842 1.00 0.00 C ATOM 900 NH1 ARG A 58 7.960 8.857 -8.515 1.00 0.00 N ATOM 901 NH2 ARG A 58 5.669 8.893 -8.406 1.00 0.00 N ATOM 0 H ARG A 58 7.068 7.548 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 58 8.772 5.354 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.277 8.171 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.960 6.688 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.762 5.943 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.987 7.319 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.649 8.737 -5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.790 7.265 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 58 6.010 7.975 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.863 8.656 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.918 9.234 -9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.805 8.720 -7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.633 9.270 -9.353 1.00 0.00 H new ATOM 915 N ASP A 59 9.910 7.878 -0.733 1.00 0.00 N ATOM 916 CA ASP A 59 10.939 8.276 0.221 1.00 0.00 C ATOM 917 C ASP A 59 11.135 7.183 1.242 1.00 0.00 C ATOM 918 O ASP A 59 12.259 6.760 1.510 1.00 0.00 O ATOM 919 CB ASP A 59 10.557 9.579 0.916 1.00 0.00 C ATOM 920 CG ASP A 59 11.564 9.992 1.972 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.525 10.711 1.627 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.389 9.598 3.144 1.00 0.00 O ATOM 0 H ASP A 59 9.148 8.548 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 59 11.872 8.438 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.470 10.371 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.576 9.466 1.378 1.00 0.00 H new ATOM 927 N SER A 60 10.031 6.731 1.810 1.00 0.00 N ATOM 928 CA SER A 60 10.079 5.659 2.783 1.00 0.00 C ATOM 929 C SER A 60 10.859 4.486 2.212 1.00 0.00 C ATOM 930 O SER A 60 11.854 4.056 2.787 1.00 0.00 O ATOM 931 CB SER A 60 8.665 5.226 3.174 1.00 0.00 C ATOM 932 OG SER A 60 8.601 3.832 3.411 1.00 0.00 O ATOM 0 H SER A 60 9.096 7.089 1.614 1.00 0.00 H new ATOM 0 HA SER A 60 10.583 6.016 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.352 5.764 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.968 5.495 2.380 1.00 0.00 H new ATOM 0 HG SER A 60 7.695 3.510 3.224 1.00 0.00 H new ATOM 938 N PHE A 61 10.425 3.999 1.053 1.00 0.00 N ATOM 939 CA PHE A 61 11.086 2.877 0.399 1.00 0.00 C ATOM 940 C PHE A 61 12.568 3.147 0.221 1.00 0.00 C ATOM 941 O PHE A 61 13.387 2.237 0.326 1.00 0.00 O ATOM 942 CB PHE A 61 10.446 2.601 -0.961 1.00 0.00 C ATOM 943 CG PHE A 61 8.952 2.446 -0.893 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.351 1.850 0.209 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.149 2.898 -1.924 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.980 1.712 0.278 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.777 2.760 -1.862 1.00 0.00 C ATOM 948 CZ PHE A 61 6.191 2.167 -0.759 1.00 0.00 C ATOM 0 H PHE A 61 9.618 4.365 0.548 1.00 0.00 H new ATOM 0 HA PHE A 61 10.967 2.001 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.689 3.417 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.880 1.694 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.965 1.490 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.600 3.364 -2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.525 1.249 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.161 3.115 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.117 2.060 -0.709 1.00 0.00 H new ATOM 958 N GLN A 62 12.911 4.404 -0.041 1.00 0.00 N ATOM 959 CA GLN A 62 14.301 4.776 -0.238 1.00 0.00 C ATOM 960 C GLN A 62 15.063 4.661 1.070 1.00 0.00 C ATOM 961 O GLN A 62 16.253 4.364 1.079 1.00 0.00 O ATOM 962 CB GLN A 62 14.406 6.205 -0.777 1.00 0.00 C ATOM 963 CG GLN A 62 13.669 6.418 -2.089 1.00 0.00 C ATOM 964 CD GLN A 62 14.592 6.844 -3.214 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.768 6.481 -3.239 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.063 7.622 -4.152 1.00 0.00 N ATOM 0 H GLN A 62 12.248 5.175 -0.121 1.00 0.00 H new ATOM 0 HA GLN A 62 14.739 4.095 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.010 6.895 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.458 6.455 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.161 5.495 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.898 7.176 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.083 7.899 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.637 7.942 -4.932 1.00 0.00 H new ATOM 975 N GLN A 63 14.363 4.886 2.172 1.00 0.00 N ATOM 976 CA GLN A 63 14.969 4.825 3.487 1.00 0.00 C ATOM 977 C GLN A 63 15.096 3.387 3.998 1.00 0.00 C ATOM 978 O GLN A 63 16.123 3.017 4.564 1.00 0.00 O ATOM 979 CB GLN A 63 14.138 5.658 4.446 1.00 0.00 C ATOM 980 CG GLN A 63 14.079 7.131 4.065 1.00 0.00 C ATOM 981 CD GLN A 63 15.440 7.798 4.110 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.163 7.827 3.114 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.796 8.338 5.269 1.00 0.00 N ATOM 0 H GLN A 63 13.369 5.114 2.177 1.00 0.00 H new ATOM 0 HA GLN A 63 15.981 5.224 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.125 5.258 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.552 5.565 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.664 7.227 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.401 7.651 4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.165 8.291 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.701 8.800 5.360 1.00 0.00 H new ATOM 992 N VAL A 64 14.052 2.582 3.806 1.00 0.00 N ATOM 993 CA VAL A 64 14.074 1.187 4.258 1.00 0.00 C ATOM 994 C VAL A 64 15.147 0.413 3.524 1.00 0.00 C ATOM 995 O VAL A 64 15.784 -0.480 4.079 1.00 0.00 O ATOM 996 CB VAL A 64 12.709 0.455 4.055 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.602 1.433 3.728 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.796 -0.616 2.968 1.00 0.00 C ATOM 0 H VAL A 64 13.187 2.866 3.345 1.00 0.00 H new ATOM 0 HA VAL A 64 14.282 1.221 5.327 1.00 0.00 H new ATOM 0 HB VAL A 64 12.473 -0.036 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.666 0.891 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.494 2.146 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.848 1.967 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.827 -1.102 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.080 -0.153 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.544 -1.358 3.247 1.00 0.00 H new ATOM 1008 N VAL A 65 15.326 0.766 2.270 1.00 0.00 N ATOM 1009 CA VAL A 65 16.292 0.111 1.421 1.00 0.00 C ATOM 1010 C VAL A 65 17.697 0.651 1.671 1.00 0.00 C ATOM 1011 O VAL A 65 18.685 -0.069 1.531 1.00 0.00 O ATOM 1012 CB VAL A 65 15.896 0.285 -0.051 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.160 1.707 -0.518 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.607 -0.728 -0.921 1.00 0.00 C ATOM 0 H VAL A 65 14.806 1.514 1.812 1.00 0.00 H new ATOM 0 HA VAL A 65 16.300 -0.952 1.660 1.00 0.00 H new ATOM 0 HB VAL A 65 14.825 0.104 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.871 1.806 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.578 2.402 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.221 1.934 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.311 -0.586 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.685 -0.594 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.338 -1.735 -0.601 1.00 0.00 H new ATOM 1024 N LYS A 66 17.777 1.926 2.036 1.00 0.00 N ATOM 1025 CA LYS A 66 19.057 2.558 2.337 1.00 0.00 C ATOM 1026 C LYS A 66 19.621 1.986 3.623 1.00 0.00 C ATOM 1027 O LYS A 66 20.814 1.700 3.730 1.00 0.00 O ATOM 1028 CB LYS A 66 18.880 4.065 2.496 1.00 0.00 C ATOM 1029 CG LYS A 66 19.047 4.835 1.198 1.00 0.00 C ATOM 1030 CD LYS A 66 18.752 6.318 1.378 1.00 0.00 C ATOM 1031 CE LYS A 66 19.719 6.971 2.355 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.460 8.429 2.504 1.00 0.00 N ATOM 0 H LYS A 66 16.970 2.543 2.131 1.00 0.00 H new ATOM 0 HA LYS A 66 19.743 2.362 1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.889 4.265 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.604 4.433 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.065 4.709 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.380 4.421 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.815 6.821 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.731 6.445 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.634 6.486 3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.742 6.818 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.140 8.835 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.566 8.896 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.493 8.575 2.857 1.00 0.00 H new ATOM 1046 N LEU A 67 18.737 1.827 4.593 1.00 0.00 N ATOM 1047 CA LEU A 67 19.099 1.298 5.895 1.00 0.00 C ATOM 1048 C LEU A 67 18.870 -0.205 5.915 1.00 0.00 C ATOM 1049 O LEU A 67 19.092 -0.875 6.923 1.00 0.00 O ATOM 1050 CB LEU A 67 18.260 2.004 6.952 1.00 0.00 C ATOM 1051 CG LEU A 67 18.213 3.526 6.794 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.286 4.149 7.826 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.610 4.114 6.904 1.00 0.00 C ATOM 0 H LEU A 67 17.749 2.061 4.499 1.00 0.00 H new ATOM 0 HA LEU A 67 20.154 1.476 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.243 1.613 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.658 1.763 7.938 1.00 0.00 H new ATOM 0 HG LEU A 67 17.819 3.755 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.269 5.231 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.279 3.752 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.644 3.911 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.559 5.197 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.031 3.872 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.243 3.696 6.122 1.00 0.00 H new ATOM 1065 N LYS A 68 18.432 -0.703 4.764 1.00 0.00 N ATOM 1066 CA LYS A 68 18.149 -2.119 4.547 1.00 0.00 C ATOM 1067 C LYS A 68 17.636 -2.815 5.800 1.00 0.00 C ATOM 1068 O LYS A 68 18.402 -3.395 6.572 1.00 0.00 O ATOM 1069 CB LYS A 68 19.373 -2.841 4.012 1.00 0.00 C ATOM 1070 CG LYS A 68 19.035 -3.857 2.934 1.00 0.00 C ATOM 1071 CD LYS A 68 19.104 -3.244 1.547 1.00 0.00 C ATOM 1072 CE LYS A 68 17.976 -3.752 0.661 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.211 -3.431 -0.773 1.00 0.00 N ATOM 0 H LYS A 68 18.260 -0.125 3.941 1.00 0.00 H new ATOM 0 HA LYS A 68 17.353 -2.163 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.073 -2.109 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.879 -3.346 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.726 -4.697 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.035 -4.254 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.048 -2.158 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.064 -3.482 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.878 -4.831 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.034 -3.309 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.305 -3.443 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.641 -2.487 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.851 -4.139 -1.187 1.00 0.00 H new ATOM 1087 N GLY A 69 16.331 -2.746 5.978 1.00 0.00 N ATOM 1088 CA GLY A 69 15.684 -3.376 7.112 1.00 0.00 C ATOM 1089 C GLY A 69 14.923 -2.386 7.963 1.00 0.00 C ATOM 1090 O GLY A 69 13.833 -2.687 8.449 1.00 0.00 O ATOM 0 H GLY A 69 15.695 -2.257 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.000 -4.146 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.435 -3.876 7.724 1.00 0.00 H new ATOM 1094 N GLN A 70 15.500 -1.205 8.148 1.00 0.00 N ATOM 1095 CA GLN A 70 14.860 -0.162 8.934 1.00 0.00 C ATOM 1096 C GLN A 70 13.475 0.125 8.371 1.00 0.00 C ATOM 1097 O GLN A 70 13.335 0.488 7.203 1.00 0.00 O ATOM 1098 CB GLN A 70 15.713 1.103 8.909 1.00 0.00 C ATOM 1099 CG GLN A 70 15.316 2.139 9.945 1.00 0.00 C ATOM 1100 CD GLN A 70 15.374 1.602 11.362 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.391 1.069 11.876 1.00 0.00 O ATOM 1102 NE2 GLN A 70 16.530 1.742 12.001 1.00 0.00 N ATOM 0 H GLN A 70 16.409 -0.947 7.764 1.00 0.00 H new ATOM 0 HA GLN A 70 14.761 -0.497 9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.756 0.828 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.648 1.552 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.976 3.002 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.305 2.489 9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.319 2.191 11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.629 1.401 12.957 1.00 0.00 H new ATOM 1111 N VAL A 71 12.454 -0.038 9.200 1.00 0.00 N ATOM 1112 CA VAL A 71 11.088 0.179 8.757 1.00 0.00 C ATOM 1113 C VAL A 71 10.714 1.659 8.750 1.00 0.00 C ATOM 1114 O VAL A 71 11.092 2.425 9.638 1.00 0.00 O ATOM 1115 CB VAL A 71 10.081 -0.620 9.607 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.900 0.007 10.980 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.754 -0.747 8.875 1.00 0.00 C ATOM 0 H VAL A 71 12.546 -0.318 10.176 1.00 0.00 H new ATOM 0 HA VAL A 71 11.037 -0.184 7.731 1.00 0.00 H new ATOM 0 HB VAL A 71 10.481 -1.622 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.184 -0.579 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.857 0.024 11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.529 1.026 10.869 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.053 -1.314 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.348 0.246 8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.909 -1.265 7.928 1.00 0.00 H new ATOM 1127 N LEU A 72 9.969 2.034 7.720 1.00 0.00 N ATOM 1128 CA LEU A 72 9.520 3.396 7.510 1.00 0.00 C ATOM 1129 C LEU A 72 8.016 3.512 7.721 1.00 0.00 C ATOM 1130 O LEU A 72 7.270 2.559 7.483 1.00 0.00 O ATOM 1131 CB LEU A 72 9.853 3.811 6.077 1.00 0.00 C ATOM 1132 CG LEU A 72 11.264 4.341 5.836 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.354 5.793 6.253 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.301 3.501 6.569 1.00 0.00 C ATOM 0 H LEU A 72 9.656 1.387 6.997 1.00 0.00 H new ATOM 0 HA LEU A 72 10.024 4.045 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.695 2.951 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.142 4.578 5.769 1.00 0.00 H new ATOM 0 HG LEU A 72 11.478 4.270 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.365 6.160 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.647 6.383 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.115 5.883 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.296 3.903 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.099 3.526 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.252 2.471 6.215 1.00 0.00 H new ATOM 1146 N SER A 73 7.579 4.684 8.157 1.00 0.00 N ATOM 1147 CA SER A 73 6.163 4.935 8.376 1.00 0.00 C ATOM 1148 C SER A 73 5.755 6.227 7.697 1.00 0.00 C ATOM 1149 O SER A 73 6.202 7.311 8.074 1.00 0.00 O ATOM 1150 CB SER A 73 5.844 5.011 9.864 1.00 0.00 C ATOM 1151 OG SER A 73 4.466 4.779 10.104 1.00 0.00 O ATOM 0 H SER A 73 8.186 5.477 8.366 1.00 0.00 H new ATOM 0 HA SER A 73 5.601 4.106 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.439 4.275 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.123 5.992 10.249 1.00 0.00 H new ATOM 0 HG SER A 73 4.288 4.832 11.066 1.00 0.00 H new ATOM 1157 N VAL A 74 4.904 6.104 6.694 1.00 0.00 N ATOM 1158 CA VAL A 74 4.442 7.276 5.949 1.00 0.00 C ATOM 1159 C VAL A 74 2.951 7.201 5.661 1.00 0.00 C ATOM 1160 O VAL A 74 2.437 6.152 5.276 1.00 0.00 O ATOM 1161 CB VAL A 74 5.192 7.436 4.605 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.683 7.625 4.831 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.929 6.248 3.700 1.00 0.00 C ATOM 0 H VAL A 74 4.518 5.216 6.374 1.00 0.00 H new ATOM 0 HA VAL A 74 4.650 8.138 6.583 1.00 0.00 H new ATOM 0 HB VAL A 74 4.813 8.331 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.186 7.735 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.849 8.519 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.085 6.757 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.466 6.381 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.272 5.336 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.860 6.173 3.500 1.00 0.00 H new ATOM 1173 N MET A 75 2.254 8.315 5.848 1.00 0.00 N ATOM 1174 CA MET A 75 0.829 8.348 5.572 1.00 0.00 C ATOM 1175 C MET A 75 0.575 8.941 4.206 1.00 0.00 C ATOM 1176 O MET A 75 1.054 10.029 3.886 1.00 0.00 O ATOM 1177 CB MET A 75 0.051 9.146 6.610 1.00 0.00 C ATOM 1178 CG MET A 75 -0.064 8.456 7.950 1.00 0.00 C ATOM 1179 SD MET A 75 -1.402 9.121 8.954 1.00 0.00 S ATOM 1180 CE MET A 75 -2.809 8.650 7.953 1.00 0.00 C ATOM 0 H MET A 75 2.648 9.194 6.185 1.00 0.00 H new ATOM 0 HA MET A 75 0.480 7.316 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.536 10.112 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.950 9.344 6.227 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.227 7.390 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.877 8.559 8.490 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.717 9.079 8.377 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.673 9.020 6.937 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.895 7.564 7.935 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.183 8.222 3.410 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.507 8.684 2.068 1.00 0.00 C ATOM 1192 C PHE A 76 -1.952 8.374 1.704 1.00 0.00 C ATOM 1193 O PHE A 76 -2.619 7.584 2.366 1.00 0.00 O ATOM 1194 CB PHE A 76 0.432 8.040 1.055 1.00 0.00 C ATOM 1195 CG PHE A 76 0.091 6.612 0.754 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.470 5.594 1.612 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.615 6.288 -0.389 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.150 4.285 1.332 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.935 4.977 -0.673 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.548 3.976 0.192 1.00 0.00 C ATOM 0 H PHE A 76 -0.587 7.320 3.661 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.380 9.766 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.406 8.615 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.453 8.090 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.022 5.829 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.920 7.071 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.449 3.500 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.487 4.736 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.794 2.948 -0.028 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.422 9.002 0.636 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.785 8.804 0.162 1.00 0.00 C ATOM 1212 C ARG A 77 -3.819 7.774 -0.967 1.00 0.00 C ATOM 1213 O ARG A 77 -3.384 8.049 -2.085 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.364 10.138 -0.308 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.350 11.205 0.774 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.351 12.610 0.192 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.643 12.971 -0.383 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.245 14.137 -0.162 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.665 15.052 0.606 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.426 14.392 -0.707 1.00 0.00 N ATOM 0 H ARG A 77 -1.875 9.658 0.078 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.393 8.423 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.795 10.492 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.389 9.984 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.220 11.079 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.468 11.073 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.091 13.324 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.581 12.683 -0.576 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.109 12.294 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.756 14.862 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.128 15.945 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.876 13.693 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.884 15.287 -0.535 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.335 6.586 -0.660 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.423 5.503 -1.637 1.00 0.00 C ATOM 1236 C PHE A 78 -5.731 5.555 -2.416 1.00 0.00 C ATOM 1237 O PHE A 78 -6.789 5.229 -1.878 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.328 4.138 -0.939 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.005 2.998 -1.878 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.933 2.558 -2.814 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.773 2.371 -1.828 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.630 1.516 -3.675 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.466 1.332 -2.685 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.395 0.904 -3.608 1.00 0.00 C ATOM 0 H PHE A 78 -4.700 6.348 0.262 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.590 5.631 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.562 4.188 -0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.274 3.929 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.901 3.034 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.039 2.699 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.360 1.183 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.498 0.855 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.157 0.091 -4.278 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.666 5.961 -3.679 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.858 5.988 -4.508 1.00 0.00 C ATOM 1256 C ARG A 79 -7.345 4.557 -4.656 1.00 0.00 C ATOM 1257 O ARG A 79 -6.739 3.760 -5.369 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.553 6.615 -5.871 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.741 6.651 -6.818 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.910 5.330 -7.541 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.774 5.451 -8.714 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.370 5.197 -9.955 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.121 4.813 -10.185 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.215 5.330 -10.969 1.00 0.00 N ATOM 0 H ARG A 79 -4.812 6.271 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.633 6.599 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.193 7.632 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.743 6.058 -6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.648 6.880 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.605 7.451 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.933 4.958 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.331 4.594 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.740 5.747 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.467 4.712 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.814 4.619 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.175 5.627 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.904 5.135 -11.921 1.00 0.00 H new ATOM 1278 N SER A 80 -8.430 4.230 -3.968 1.00 0.00 N ATOM 1279 CA SER A 80 -8.957 2.879 -3.982 1.00 0.00 C ATOM 1280 C SER A 80 -9.807 2.567 -5.198 1.00 0.00 C ATOM 1281 O SER A 80 -9.889 3.344 -6.148 1.00 0.00 O ATOM 1282 CB SER A 80 -9.777 2.635 -2.730 1.00 0.00 C ATOM 1283 OG SER A 80 -11.080 3.178 -2.854 1.00 0.00 O ATOM 0 H SER A 80 -8.961 4.885 -3.394 1.00 0.00 H new ATOM 0 HA SER A 80 -8.092 2.217 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.844 1.564 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.275 3.081 -1.871 1.00 0.00 H new ATOM 0 HG SER A 80 -11.586 3.004 -2.033 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.436 1.402 -5.135 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.291 0.917 -6.200 1.00 0.00 C ATOM 1291 C LYS A 81 -12.492 1.838 -6.380 1.00 0.00 C ATOM 1292 O LYS A 81 -13.121 1.860 -7.439 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.737 -0.513 -5.903 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.275 -1.201 -7.127 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.399 -2.366 -7.524 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.571 -2.701 -8.986 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.786 -1.790 -9.865 1.00 0.00 N ATOM 0 H LYS A 81 -10.365 0.767 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.727 0.914 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.894 -1.081 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.503 -0.500 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.289 -1.553 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.336 -0.490 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.355 -2.125 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.648 -3.236 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.259 -3.731 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.627 -2.639 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.851 -2.117 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.168 -0.825 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.790 -1.791 -9.565 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.801 2.600 -5.336 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.910 3.544 -5.376 1.00 0.00 C ATOM 1313 C ASN A 82 -13.403 4.932 -5.740 1.00 0.00 C ATOM 1314 O ASN A 82 -14.120 5.926 -5.622 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.636 3.581 -4.031 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.536 2.378 -3.824 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.547 2.457 -3.126 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.174 1.257 -4.436 1.00 0.00 N ATOM 0 H ASN A 82 -12.297 2.581 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.617 3.215 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.902 3.624 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.232 4.492 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.742 0.416 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.328 1.237 -5.005 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.150 4.977 -6.184 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.508 6.211 -6.585 1.00 0.00 C ATOM 1327 C GLN A 83 -11.591 7.257 -5.487 1.00 0.00 C ATOM 1328 O GLN A 83 -11.925 8.416 -5.733 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.129 6.704 -7.877 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.246 5.588 -8.891 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.678 5.277 -9.237 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -14.248 5.839 -10.172 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.266 4.372 -8.471 1.00 0.00 N ATOM 0 H GLN A 83 -11.555 4.153 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.448 6.022 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.116 7.118 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.523 7.511 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.708 5.866 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.767 4.691 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.748 3.936 -7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.237 4.111 -8.644 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.276 6.827 -4.273 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.305 7.701 -3.116 1.00 0.00 C ATOM 1344 C GLU A 84 -9.939 7.737 -2.442 1.00 0.00 C ATOM 1345 O GLU A 84 -9.287 6.703 -2.299 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.365 7.216 -2.134 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.783 7.445 -2.620 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.189 8.906 -2.569 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.884 9.640 -3.532 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.811 9.314 -1.567 1.00 0.00 O ATOM 0 H GLU A 84 -10.995 5.868 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.554 8.711 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.219 6.152 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.228 7.727 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.875 7.082 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.471 6.859 -2.010 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.506 8.925 -2.033 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.216 9.069 -1.378 1.00 0.00 C ATOM 1359 C TRP A 85 -8.238 8.413 -0.003 1.00 0.00 C ATOM 1360 O TRP A 85 -8.523 9.057 1.008 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.844 10.548 -1.268 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.434 11.158 -2.573 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.902 12.308 -3.131 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.467 10.639 -3.480 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.283 12.534 -4.339 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.394 11.518 -4.573 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.659 9.513 -3.463 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.535 11.296 -5.647 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.805 9.290 -4.523 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.748 10.178 -5.605 1.00 0.00 C ATOM 0 H TRP A 85 -10.027 9.795 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.459 8.566 -1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.695 11.100 -0.869 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.029 10.658 -0.552 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.650 12.950 -2.690 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.457 13.326 -4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.697 8.822 -2.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.492 11.981 -6.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.170 8.416 -4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -4.070 9.976 -6.421 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.933 7.119 0.014 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.924 6.334 1.242 1.00 0.00 C ATOM 1383 C LEU A 86 -6.642 6.543 2.037 1.00 0.00 C ATOM 1384 O LEU A 86 -5.610 5.955 1.722 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.077 4.848 0.904 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.438 4.430 0.329 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.701 2.967 0.637 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.558 5.300 0.882 1.00 0.00 C ATOM 0 H LEU A 86 -7.686 6.587 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.760 6.668 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.302 4.576 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.892 4.268 1.808 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.412 4.568 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.668 2.677 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.918 2.355 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.706 2.818 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.510 4.981 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.593 5.201 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.374 6.341 0.618 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.711 7.359 3.085 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.537 7.614 3.908 1.00 0.00 C ATOM 1402 C TRP A 87 -5.051 6.325 4.542 1.00 0.00 C ATOM 1403 O TRP A 87 -5.817 5.586 5.161 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.826 8.654 4.985 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.539 10.053 4.538 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.451 10.980 4.123 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.251 10.685 4.443 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.815 12.145 3.772 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.467 11.990 3.959 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.935 10.278 4.718 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.425 12.888 3.740 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.905 11.175 4.499 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.154 12.463 4.014 1.00 0.00 C ATOM 0 H TRP A 87 -7.556 7.848 3.380 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.755 8.011 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.872 8.581 5.282 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.228 8.431 5.868 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.518 10.820 4.077 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.272 12.989 3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.732 9.286 5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.614 13.884 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.889 10.875 4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.325 13.136 3.852 1.00 0.00 H new ATOM 1424 N MET A 88 -3.767 6.069 4.375 1.00 0.00 N ATOM 1425 CA MET A 88 -3.145 4.866 4.897 1.00 0.00 C ATOM 1426 C MET A 88 -1.787 5.165 5.491 1.00 0.00 C ATOM 1427 O MET A 88 -1.194 6.209 5.232 1.00 0.00 O ATOM 1428 CB MET A 88 -2.959 3.843 3.779 1.00 0.00 C ATOM 1429 CG MET A 88 -4.220 3.542 3.008 1.00 0.00 C ATOM 1430 SD MET A 88 -5.071 2.071 3.583 1.00 0.00 S ATOM 1431 CE MET A 88 -6.412 2.030 2.405 1.00 0.00 C ATOM 0 H MET A 88 -3.127 6.687 3.875 1.00 0.00 H new ATOM 0 HA MET A 88 -3.801 4.470 5.672 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.201 4.210 3.087 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.577 2.916 4.208 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.894 4.395 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.972 3.421 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.634 0.996 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.297 2.491 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.125 2.579 1.508 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.313 4.233 6.291 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.011 4.332 6.911 1.00 0.00 C ATOM 1443 C ARG A 89 0.828 3.150 6.451 1.00 0.00 C ATOM 1444 O ARG A 89 0.446 1.999 6.660 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.139 4.309 8.430 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.135 5.313 8.974 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.585 6.010 10.201 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.392 5.089 11.318 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.305 5.390 12.410 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.876 6.581 12.529 1.00 0.00 N ATOM 1451 NH2 ARG A 89 0.435 4.497 13.382 1.00 0.00 N ATOM 0 H ARG A 89 -1.823 3.383 6.530 1.00 0.00 H new ATOM 0 HA ARG A 89 0.461 5.271 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.436 3.309 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.838 4.505 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.370 6.051 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.067 4.807 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.366 6.482 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.267 6.805 10.502 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.815 4.163 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.781 7.269 11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.410 6.809 13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.000 3.579 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.970 4.729 14.219 1.00 0.00 H new ATOM 1465 N THR A 90 1.966 3.419 5.834 1.00 0.00 N ATOM 1466 CA THR A 90 2.801 2.338 5.323 1.00 0.00 C ATOM 1467 C THR A 90 3.899 1.928 6.281 1.00 0.00 C ATOM 1468 O THR A 90 4.546 2.772 6.908 1.00 0.00 O ATOM 1469 CB THR A 90 3.475 2.711 4.001 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.696 3.409 4.255 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.563 3.565 3.156 1.00 0.00 C ATOM 0 H THR A 90 2.331 4.358 5.675 1.00 0.00 H new ATOM 0 HA THR A 90 2.110 1.506 5.184 1.00 0.00 H new ATOM 0 HB THR A 90 3.691 1.792 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.452 2.869 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.064 3.818 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.647 3.015 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.318 4.480 3.695 1.00 0.00 H new ATOM 1479 N SER A 91 4.099 0.615 6.360 1.00 0.00 N ATOM 1480 CA SER A 91 5.145 0.018 7.172 1.00 0.00 C ATOM 1481 C SER A 91 6.140 -0.646 6.225 1.00 0.00 C ATOM 1482 O SER A 91 6.222 -1.872 6.140 1.00 0.00 O ATOM 1483 CB SER A 91 4.549 -1.002 8.145 1.00 0.00 C ATOM 1484 OG SER A 91 4.309 -0.419 9.413 1.00 0.00 O ATOM 0 H SER A 91 3.532 -0.067 5.856 1.00 0.00 H new ATOM 0 HA SER A 91 5.648 0.778 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.616 -1.394 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.229 -1.847 8.253 1.00 0.00 H new ATOM 0 HG SER A 91 3.927 -1.091 10.015 1.00 0.00 H new ATOM 1490 N SER A 92 6.880 0.192 5.505 1.00 0.00 N ATOM 1491 CA SER A 92 7.837 -0.271 4.501 1.00 0.00 C ATOM 1492 C SER A 92 9.178 -0.662 5.102 1.00 0.00 C ATOM 1493 O SER A 92 9.804 0.106 5.817 1.00 0.00 O ATOM 1494 CB SER A 92 8.043 0.821 3.457 1.00 0.00 C ATOM 1495 OG SER A 92 6.863 1.586 3.284 1.00 0.00 O ATOM 0 H SER A 92 6.835 1.207 5.599 1.00 0.00 H new ATOM 0 HA SER A 92 7.418 -1.167 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.862 1.472 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.332 0.371 2.507 1.00 0.00 H new ATOM 0 HG SER A 92 6.889 2.035 2.413 1.00 0.00 H new ATOM 1501 N GLN A 93 9.615 -1.867 4.785 1.00 0.00 N ATOM 1502 CA GLN A 93 10.891 -2.375 5.258 1.00 0.00 C ATOM 1503 C GLN A 93 11.289 -3.588 4.437 1.00 0.00 C ATOM 1504 O GLN A 93 10.442 -4.404 4.089 1.00 0.00 O ATOM 1505 CB GLN A 93 10.822 -2.729 6.738 1.00 0.00 C ATOM 1506 CG GLN A 93 9.833 -3.829 7.066 1.00 0.00 C ATOM 1507 CD GLN A 93 9.877 -4.206 8.528 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.888 -4.663 9.101 1.00 0.00 O ATOM 1509 NE2 GLN A 93 11.035 -4.005 9.139 1.00 0.00 N ATOM 0 H GLN A 93 9.098 -2.519 4.195 1.00 0.00 H new ATOM 0 HA GLN A 93 11.645 -1.597 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.813 -3.034 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.555 -1.835 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.826 -3.502 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.051 -4.707 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.826 -3.624 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.136 -4.232 10.128 1.00 0.00 H new ATOM 1518 N THR A 94 12.579 -3.705 4.148 1.00 0.00 N ATOM 1519 CA THR A 94 13.090 -4.801 3.335 1.00 0.00 C ATOM 1520 C THR A 94 12.374 -6.107 3.636 1.00 0.00 C ATOM 1521 O THR A 94 12.384 -6.598 4.766 1.00 0.00 O ATOM 1522 CB THR A 94 14.598 -4.972 3.539 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.861 -5.583 4.808 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.280 -3.617 3.472 1.00 0.00 C ATOM 0 H THR A 94 13.294 -3.051 4.467 1.00 0.00 H new ATOM 0 HA THR A 94 12.899 -4.544 2.293 1.00 0.00 H new ATOM 0 HB THR A 94 14.990 -5.615 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.014 -5.844 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.353 -3.742 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.096 -3.165 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.881 -2.970 4.253 1.00 0.00 H new ATOM 1532 N ALA A 95 11.746 -6.654 2.601 1.00 0.00 N ATOM 1533 CA ALA A 95 10.992 -7.895 2.711 1.00 0.00 C ATOM 1534 C ALA A 95 11.814 -9.023 3.326 1.00 0.00 C ATOM 1535 O ALA A 95 13.010 -8.877 3.580 1.00 0.00 O ATOM 1536 CB ALA A 95 10.472 -8.300 1.346 1.00 0.00 C ATOM 0 H ALA A 95 11.746 -6.250 1.665 1.00 0.00 H new ATOM 0 HA ALA A 95 10.154 -7.713 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.908 -9.229 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.822 -7.516 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.311 -8.447 0.666 1.00 0.00 H new ATOM 1542 N GLN A 96 11.154 -10.152 3.551 1.00 0.00 N ATOM 1543 CA GLN A 96 11.788 -11.316 4.150 1.00 0.00 C ATOM 1544 C GLN A 96 12.772 -11.987 3.207 1.00 0.00 C ATOM 1545 O GLN A 96 13.963 -11.672 3.210 1.00 0.00 O ATOM 1546 CB GLN A 96 10.720 -12.306 4.589 1.00 0.00 C ATOM 1547 CG GLN A 96 9.611 -11.657 5.393 1.00 0.00 C ATOM 1548 CD GLN A 96 10.055 -11.263 6.786 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.533 -10.150 7.007 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.899 -12.175 7.737 1.00 0.00 N ATOM 0 H GLN A 96 10.169 -10.285 3.324 1.00 0.00 H new ATOM 0 HA GLN A 96 12.358 -10.976 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.292 -12.785 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.183 -13.092 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.255 -10.772 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.769 -12.345 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.498 -13.085 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.180 -11.966 8.695 1.00 0.00 H new ATOM 1559 N ASN A 97 12.267 -12.906 2.401 1.00 0.00 N ATOM 1560 CA ASN A 97 13.106 -13.645 1.469 1.00 0.00 C ATOM 1561 C ASN A 97 12.254 -14.502 0.528 1.00 0.00 C ATOM 1562 O ASN A 97 11.201 -15.003 0.925 1.00 0.00 O ATOM 1563 CB ASN A 97 14.075 -14.519 2.270 1.00 0.00 C ATOM 1564 CG ASN A 97 14.866 -15.485 1.409 1.00 0.00 C ATOM 1565 OD1 ASN A 97 15.969 -15.174 0.958 1.00 0.00 O ATOM 1566 ND2 ASN A 97 14.306 -16.666 1.177 1.00 0.00 N ATOM 0 H ASN A 97 11.279 -13.159 2.372 1.00 0.00 H new ATOM 0 HA ASN A 97 13.668 -12.945 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.768 -13.877 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.513 -15.083 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.792 -17.357 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.390 -16.882 1.570 1.00 0.00 H new ATOM 1573 N PRO A 98 12.691 -14.689 -0.737 1.00 0.00 N ATOM 1574 CA PRO A 98 13.933 -14.121 -1.265 1.00 0.00 C ATOM 1575 C PRO A 98 13.777 -12.670 -1.698 1.00 0.00 C ATOM 1576 O PRO A 98 14.653 -12.114 -2.362 1.00 0.00 O ATOM 1577 CB PRO A 98 14.195 -15.009 -2.475 1.00 0.00 C ATOM 1578 CG PRO A 98 12.845 -15.321 -2.986 1.00 0.00 C ATOM 1579 CD PRO A 98 11.991 -15.480 -1.767 1.00 0.00 C ATOM 0 HA PRO A 98 14.734 -14.103 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.797 -14.495 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.736 -15.914 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.472 -14.522 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.851 -16.232 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.980 -15.110 -1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.902 -16.526 -1.475 1.00 0.00 H new ATOM 1587 N TYR A 99 12.659 -12.059 -1.321 1.00 0.00 N ATOM 1588 CA TYR A 99 12.389 -10.681 -1.674 1.00 0.00 C ATOM 1589 C TYR A 99 13.067 -9.735 -0.691 1.00 0.00 C ATOM 1590 O TYR A 99 12.610 -8.620 -0.477 1.00 0.00 O ATOM 1591 CB TYR A 99 10.880 -10.439 -1.691 1.00 0.00 C ATOM 1592 CG TYR A 99 10.060 -11.705 -1.834 1.00 0.00 C ATOM 1593 CD1 TYR A 99 10.211 -12.536 -2.938 1.00 0.00 C ATOM 1594 CD2 TYR A 99 9.142 -12.071 -0.860 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.466 -13.693 -3.067 1.00 0.00 C ATOM 1596 CE2 TYR A 99 8.394 -13.227 -0.982 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.561 -14.034 -2.086 1.00 0.00 C ATOM 1598 OH TYR A 99 7.818 -15.186 -2.211 1.00 0.00 O ATOM 0 H TYR A 99 11.926 -12.504 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 99 12.792 -10.486 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.592 -9.933 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.638 -9.766 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.922 -12.273 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.010 -11.442 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.593 -14.326 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.682 -13.496 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 99 7.228 -15.281 -1.434 1.00 0.00 H new ATOM 1608 N SER A 100 14.160 -10.187 -0.089 1.00 0.00 N ATOM 1609 CA SER A 100 14.884 -9.362 0.867 1.00 0.00 C ATOM 1610 C SER A 100 15.340 -8.065 0.212 1.00 0.00 C ATOM 1611 O SER A 100 15.391 -7.016 0.855 1.00 0.00 O ATOM 1612 CB SER A 100 16.088 -10.120 1.431 1.00 0.00 C ATOM 1613 OG SER A 100 16.853 -9.292 2.289 1.00 0.00 O ATOM 0 H SER A 100 14.561 -11.112 -0.244 1.00 0.00 H new ATOM 0 HA SER A 100 14.210 -9.121 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.745 -10.998 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.713 -10.478 0.613 1.00 0.00 H new ATOM 0 HG SER A 100 17.616 -9.799 2.638 1.00 0.00 H new ATOM 1619 N ASP A 101 15.667 -8.145 -1.072 1.00 0.00 N ATOM 1620 CA ASP A 101 16.102 -6.976 -1.823 1.00 0.00 C ATOM 1621 C ASP A 101 14.910 -6.065 -2.103 1.00 0.00 C ATOM 1622 O ASP A 101 15.068 -4.941 -2.580 1.00 0.00 O ATOM 1623 CB ASP A 101 16.762 -7.402 -3.136 1.00 0.00 C ATOM 1624 CG ASP A 101 17.332 -6.227 -3.909 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.494 -5.852 -3.645 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.618 -5.686 -4.777 1.00 0.00 O ATOM 0 H ASP A 101 15.639 -9.008 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 101 16.834 -6.429 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.560 -8.114 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.030 -7.919 -3.756 1.00 0.00 H new ATOM 1631 N GLU A 102 13.716 -6.567 -1.797 1.00 0.00 N ATOM 1632 CA GLU A 102 12.489 -5.824 -2.006 1.00 0.00 C ATOM 1633 C GLU A 102 12.137 -4.992 -0.789 1.00 0.00 C ATOM 1634 O GLU A 102 12.998 -4.655 0.024 1.00 0.00 O ATOM 1635 CB GLU A 102 11.349 -6.776 -2.306 1.00 0.00 C ATOM 1636 CG GLU A 102 11.517 -7.511 -3.613 1.00 0.00 C ATOM 1637 CD GLU A 102 12.304 -6.727 -4.648 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.683 -5.945 -5.398 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.540 -6.896 -4.709 1.00 0.00 O ATOM 0 H GLU A 102 13.578 -7.496 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 102 12.645 -5.155 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.267 -7.501 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.414 -6.217 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.021 -8.459 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.533 -7.747 -4.018 1.00 0.00 H new ATOM 1646 N ILE A 103 10.855 -4.675 -0.669 1.00 0.00 N ATOM 1647 CA ILE A 103 10.364 -3.873 0.441 1.00 0.00 C ATOM 1648 C ILE A 103 8.936 -4.250 0.823 1.00 0.00 C ATOM 1649 O ILE A 103 7.986 -3.984 0.084 1.00 0.00 O ATOM 1650 CB ILE A 103 10.414 -2.364 0.103 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.851 -1.939 -0.222 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.834 -1.528 1.243 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.978 -0.536 -0.775 1.00 0.00 C ATOM 0 H ILE A 103 10.134 -4.963 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 103 11.020 -4.078 1.287 1.00 0.00 H new ATOM 0 HB ILE A 103 9.798 -2.187 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.453 -2.015 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.270 -2.640 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.881 -0.471 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.796 -1.814 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.411 -1.702 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.027 -0.318 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.406 -0.456 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.592 0.178 -0.047 1.00 0.00 H new ATOM 1665 N GLU A 104 8.806 -4.884 1.982 1.00 0.00 N ATOM 1666 CA GLU A 104 7.513 -5.278 2.512 1.00 0.00 C ATOM 1667 C GLU A 104 6.825 -4.066 3.123 1.00 0.00 C ATOM 1668 O GLU A 104 7.235 -3.573 4.174 1.00 0.00 O ATOM 1669 CB GLU A 104 7.698 -6.354 3.575 1.00 0.00 C ATOM 1670 CG GLU A 104 6.477 -7.229 3.774 1.00 0.00 C ATOM 1671 CD GLU A 104 6.716 -8.348 4.769 1.00 0.00 C ATOM 1672 OE1 GLU A 104 7.233 -9.407 4.356 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.387 -8.165 5.960 1.00 0.00 O ATOM 0 H GLU A 104 9.594 -5.138 2.578 1.00 0.00 H new ATOM 0 HA GLU A 104 6.898 -5.676 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.544 -6.983 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.951 -5.877 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.646 -6.613 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.181 -7.657 2.816 1.00 0.00 H new ATOM 1680 N THR A 105 5.782 -3.592 2.465 1.00 0.00 N ATOM 1681 CA THR A 105 5.059 -2.421 2.927 1.00 0.00 C ATOM 1682 C THR A 105 3.646 -2.768 3.380 1.00 0.00 C ATOM 1683 O THR A 105 2.811 -3.191 2.579 1.00 0.00 O ATOM 1684 CB THR A 105 5.009 -1.356 1.818 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.310 -0.788 1.656 1.00 0.00 O ATOM 1686 CG2 THR A 105 4.007 -0.256 2.130 1.00 0.00 C ATOM 0 H THR A 105 5.416 -4.002 1.606 1.00 0.00 H new ATOM 0 HA THR A 105 5.595 -2.024 3.789 1.00 0.00 H new ATOM 0 HB THR A 105 4.687 -1.842 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.398 -0.426 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.005 0.474 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.012 -0.689 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.285 0.236 3.062 1.00 0.00 H new ATOM 1694 N ILE A 106 3.385 -2.584 4.673 1.00 0.00 N ATOM 1695 CA ILE A 106 2.068 -2.868 5.230 1.00 0.00 C ATOM 1696 C ILE A 106 1.202 -1.618 5.224 1.00 0.00 C ATOM 1697 O ILE A 106 1.353 -0.739 6.075 1.00 0.00 O ATOM 1698 CB ILE A 106 2.140 -3.413 6.672 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.847 -4.771 6.697 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.736 -3.534 7.263 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.348 -4.679 6.533 1.00 0.00 C ATOM 0 H ILE A 106 4.066 -2.241 5.350 1.00 0.00 H new ATOM 0 HA ILE A 106 1.627 -3.637 4.595 1.00 0.00 H new ATOM 0 HB ILE A 106 2.715 -2.713 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.623 -5.270 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.441 -5.396 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.801 -3.920 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.261 -2.553 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.142 -4.216 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.779 -5.680 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.582 -4.210 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.766 -4.081 7.343 1.00 0.00 H new ATOM 1713 N ILE A 107 0.299 -1.540 4.259 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.591 -0.400 4.143 1.00 0.00 C ATOM 1715 C ILE A 107 -1.795 -0.546 5.075 1.00 0.00 C ATOM 1716 O ILE A 107 -2.666 -1.381 4.846 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.075 -0.236 2.701 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.127 -0.016 1.788 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.054 0.922 2.604 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.215 -0.084 0.322 1.00 0.00 C ATOM 0 H ILE A 107 0.165 -2.255 3.544 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.029 0.488 4.433 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.595 -1.140 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.566 0.957 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.886 -0.766 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.391 1.028 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.912 0.728 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.562 1.842 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.685 0.081 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.627 -1.066 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.951 0.684 0.084 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.843 0.281 6.117 1.00 0.00 N ATOM 1733 CA CYS A 108 -2.930 0.227 7.093 1.00 0.00 C ATOM 1734 C CYS A 108 -3.882 1.414 6.960 1.00 0.00 C ATOM 1735 O CYS A 108 -3.455 2.566 6.951 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.352 0.196 8.509 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.581 0.402 9.820 1.00 0.00 S ATOM 0 H CYS A 108 -1.142 0.997 6.308 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.500 -0.681 6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.835 -0.752 8.657 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.604 0.984 8.601 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.650 -0.277 9.524 1.00 0.00 H new ATOM 1743 N THR A 109 -5.177 1.123 6.862 1.00 0.00 N ATOM 1744 CA THR A 109 -6.192 2.167 6.753 1.00 0.00 C ATOM 1745 C THR A 109 -6.162 3.063 7.987 1.00 0.00 C ATOM 1746 O THR A 109 -5.998 2.576 9.107 1.00 0.00 O ATOM 1747 CB THR A 109 -7.603 1.568 6.617 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.873 0.694 7.719 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.742 0.804 5.313 1.00 0.00 C ATOM 0 H THR A 109 -5.548 0.173 6.856 1.00 0.00 H new ATOM 0 HA THR A 109 -5.965 2.748 5.859 1.00 0.00 H new ATOM 0 HB THR A 109 -8.323 2.387 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.700 0.198 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.748 0.390 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.565 1.479 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.013 -0.006 5.286 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.322 4.366 7.787 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.305 5.310 8.901 1.00 0.00 C ATOM 1759 C ASN A 110 -7.685 5.924 9.122 1.00 0.00 C ATOM 1760 O ASN A 110 -8.402 5.541 10.046 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.278 6.416 8.653 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.010 7.242 9.897 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -5.891 7.949 10.389 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -3.785 7.166 10.407 1.00 0.00 N ATOM 0 H ASN A 110 -6.464 4.792 6.871 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.024 4.759 9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.345 5.971 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.635 7.068 7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.544 7.706 11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.086 6.568 9.967 1.00 0.00 H new ATOM 1771 N THR A 111 -8.049 6.878 8.271 1.00 0.00 N ATOM 1772 CA THR A 111 -9.342 7.542 8.382 1.00 0.00 C ATOM 1773 C THR A 111 -9.774 8.135 7.044 1.00 0.00 C ATOM 1774 O THR A 111 -8.939 8.458 6.199 1.00 0.00 O ATOM 1775 CB THR A 111 -9.308 8.661 9.440 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.591 9.293 9.527 1.00 0.00 O ATOM 1777 CG2 THR A 111 -8.249 9.700 9.098 1.00 0.00 C ATOM 0 H THR A 111 -7.469 7.207 7.500 1.00 0.00 H new ATOM 0 HA THR A 111 -10.062 6.783 8.688 1.00 0.00 H new ATOM 0 HB THR A 111 -9.057 8.212 10.401 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.561 10.002 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.245 10.480 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.270 9.223 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.473 10.143 8.127 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.083 8.275 6.861 1.00 0.00 N ATOM 1786 CA ASN A 112 -11.628 8.829 5.629 1.00 0.00 C ATOM 1787 C ASN A 112 -12.863 9.675 5.919 1.00 0.00 C ATOM 1788 O ASN A 112 -13.464 9.558 6.988 1.00 0.00 O ATOM 1789 CB ASN A 112 -11.978 7.704 4.651 1.00 0.00 C ATOM 1790 CG ASN A 112 -12.363 8.224 3.280 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -11.882 9.269 2.842 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -13.234 7.494 2.594 1.00 0.00 N ATOM 0 H ASN A 112 -11.786 8.012 7.552 1.00 0.00 H new ATOM 0 HA ASN A 112 -10.870 9.468 5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.125 7.032 4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.801 7.117 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.530 7.793 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.607 6.634 2.996 1.00 0.00 H new ATOM 1799 N VAL A 113 -13.236 10.529 4.969 1.00 0.00 N ATOM 1800 CA VAL A 113 -14.399 11.394 5.132 1.00 0.00 C ATOM 1801 C VAL A 113 -15.620 10.596 5.584 1.00 0.00 C ATOM 1802 O VAL A 113 -16.305 10.977 6.534 1.00 0.00 O ATOM 1803 CB VAL A 113 -14.738 12.133 3.822 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -15.903 13.090 4.031 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -13.517 12.875 3.297 1.00 0.00 C ATOM 0 H VAL A 113 -12.749 10.640 4.079 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.143 12.126 5.898 1.00 0.00 H new ATOM 0 HB VAL A 113 -15.036 11.395 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -16.126 13.601 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -16.780 12.530 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -15.638 13.825 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -13.775 13.391 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -13.187 13.603 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.714 12.164 3.104 1.00 0.00 H new ATOM 1815 N LYS A 114 -15.881 9.486 4.902 1.00 0.00 N ATOM 1816 CA LYS A 114 -17.015 8.631 5.234 1.00 0.00 C ATOM 1817 C LYS A 114 -16.615 7.159 5.193 1.00 0.00 C ATOM 1818 O LYS A 114 -15.806 6.749 4.361 1.00 0.00 O ATOM 1819 CB LYS A 114 -18.174 8.883 4.266 1.00 0.00 C ATOM 1820 CG LYS A 114 -17.824 8.619 2.811 1.00 0.00 C ATOM 1821 CD LYS A 114 -19.037 8.782 1.910 1.00 0.00 C ATOM 1822 CE LYS A 114 -18.693 8.500 0.455 1.00 0.00 C ATOM 1823 NZ LYS A 114 -17.693 9.466 -0.077 1.00 0.00 N ATOM 0 H LYS A 114 -15.322 9.157 4.115 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.338 8.875 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -19.016 8.250 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -18.504 9.917 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -17.039 9.305 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -17.426 7.610 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -19.827 8.105 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -19.427 9.796 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.302 7.486 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -19.600 8.547 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.624 9.361 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.990 10.436 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.765 9.277 0.353 1.00 0.00 H new ATOM 1837 N ASN A 115 -17.187 6.370 6.097 1.00 0.00 N ATOM 1838 CA ASN A 115 -16.891 4.944 6.163 1.00 0.00 C ATOM 1839 C ASN A 115 -17.742 4.169 5.161 1.00 0.00 C ATOM 1840 O ASN A 115 -18.803 3.647 5.505 1.00 0.00 O ATOM 1841 CB ASN A 115 -17.135 4.415 7.578 1.00 0.00 C ATOM 1842 CG ASN A 115 -16.263 5.102 8.613 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -15.896 6.267 8.460 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -15.927 4.379 9.677 1.00 0.00 N ATOM 0 H ASN A 115 -17.858 6.694 6.794 1.00 0.00 H new ATOM 0 HA ASN A 115 -15.841 4.802 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -18.184 4.556 7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -16.943 3.342 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.343 4.787 10.407 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -16.254 3.417 9.763 1.00 0.00 H new ATOM 1851 N SER A 116 -17.267 4.100 3.921 1.00 0.00 N ATOM 1852 CA SER A 116 -17.984 3.393 2.865 1.00 0.00 C ATOM 1853 C SER A 116 -17.825 1.883 3.011 1.00 0.00 C ATOM 1854 O SER A 116 -18.771 1.182 3.374 1.00 0.00 O ATOM 1855 CB SER A 116 -17.481 3.842 1.492 1.00 0.00 C ATOM 1856 OG SER A 116 -18.173 3.171 0.453 1.00 0.00 O ATOM 0 H SER A 116 -16.389 4.525 3.623 1.00 0.00 H new ATOM 0 HA SER A 116 -19.043 3.636 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 116 -17.614 4.919 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.412 3.643 1.409 1.00 0.00 H new ATOM 0 HG SER A 116 -17.835 3.476 -0.415 1.00 0.00 H new ATOM 1862 N SER A 117 -16.625 1.386 2.725 1.00 0.00 N ATOM 1863 CA SER A 117 -16.347 -0.043 2.822 1.00 0.00 C ATOM 1864 C SER A 117 -15.073 -0.301 3.620 1.00 0.00 C ATOM 1865 O SER A 117 -15.037 -1.184 4.478 1.00 0.00 O ATOM 1866 CB SER A 117 -16.219 -0.655 1.426 1.00 0.00 C ATOM 1867 OG SER A 117 -17.421 -0.503 0.690 1.00 0.00 O ATOM 0 H SER A 117 -15.831 1.951 2.425 1.00 0.00 H new ATOM 0 HA SER A 117 -17.181 -0.513 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.398 -0.178 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.972 -1.713 1.511 1.00 0.00 H new ATOM 0 HG SER A 117 -17.313 -0.901 -0.199 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.030 0.472 3.333 1.00 0.00 N ATOM 1874 CA GLN A 118 -12.755 0.324 4.026 1.00 0.00 C ATOM 1875 C GLN A 118 -12.903 0.625 5.515 1.00 0.00 C ATOM 1876 O GLN A 118 -14.002 0.918 5.990 1.00 0.00 O ATOM 1877 CB GLN A 118 -11.693 1.240 3.409 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.089 2.710 3.372 1.00 0.00 C ATOM 1879 CD GLN A 118 -13.065 3.030 2.254 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -13.895 3.930 2.380 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -12.967 2.295 1.151 1.00 0.00 N ATOM 0 H GLN A 118 -14.043 1.207 2.626 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.434 -0.712 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.767 1.138 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.485 0.905 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.536 2.985 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -11.193 3.320 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -12.264 1.559 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -13.595 2.467 0.366 1.00 0.00 H new ATOM 1890 N GLU A 119 -11.784 0.555 6.239 1.00 0.00 N ATOM 1891 CA GLU A 119 -11.756 0.809 7.681 1.00 0.00 C ATOM 1892 C GLU A 119 -12.996 0.250 8.377 1.00 0.00 C ATOM 1893 O GLU A 119 -13.035 -0.976 8.614 1.00 0.00 O ATOM 1894 CB GLU A 119 -11.602 2.310 7.973 1.00 0.00 C ATOM 1895 CG GLU A 119 -12.600 3.198 7.244 1.00 0.00 C ATOM 1896 CD GLU A 119 -12.491 4.655 7.653 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -13.089 5.027 8.685 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -11.809 5.423 6.943 1.00 0.00 O ATOM 1899 OXT GLU A 119 -13.916 1.038 8.686 1.00 0.00 O ATOM 0 H GLU A 119 -10.873 0.321 5.843 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.887 0.289 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.706 2.472 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.593 2.619 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.439 3.113 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.611 2.843 7.444 1.00 0.00 H new TER 1906 GLU A 119