USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 78:sc= 1.02 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 0.36 K(o=1.4,f=-8.9!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 10 TYR OH : rot -173:sc= -0.921 USER MOD Single : A 11 THR OG1 : rot 129:sc= -2.8! USER MOD Single : A 16 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-8.1!) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.0643 (180deg=-0.537) USER MOD Single : A 26 GLN : amide:sc= -9.36! C(o=-9.4!,f=-7.6!) USER MOD Single : A 29 ASN : amide:sc= -4.08! K(o=-4.1!,f=-0.93) USER MOD Single : A 35 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 41 THR OG1 : rot -82:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0969) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 49:sc= 0.0627 USER MOD Single : A 50 ASN : amide:sc= -8.28! C(o=-8.3!,f=-3.6!) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc=-0.00233 (180deg=-0.128) USER MOD Single : A 53 GLN : amide:sc= -9.45! C(o=-9.4!,f=-3.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -130:sc= -0.115 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= -0.207 (180deg=-0.322) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.412 (180deg=-0.0647) USER MOD Single : A 68 LYS NZ :NH3+ 136:sc= -0.726 (180deg=-2.87!) USER MOD Single : A 69 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.37) USER MOD Single : A 70 MET CE :methyl -163:sc= -0.0722 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.702 5.038 6.289 1.00 0.00 N ATOM 2 CA ALA A 1 18.424 4.502 4.938 1.00 0.00 C ATOM 3 C ALA A 1 16.980 4.037 4.820 1.00 0.00 C ATOM 4 O ALA A 1 16.225 4.534 3.989 1.00 0.00 O ATOM 5 CB ALA A 1 19.368 3.354 4.622 1.00 0.00 C ATOM 0 H1 ALA A 1 19.693 5.348 6.342 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.076 5.847 6.477 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.533 4.297 6.998 1.00 0.00 H new ATOM 0 HA ALA A 1 18.585 5.304 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.152 2.969 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.398 3.709 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.232 2.559 5.355 1.00 0.00 H new ATOM 13 N SER A 2 16.594 3.081 5.652 1.00 0.00 N ATOM 14 CA SER A 2 15.244 2.554 5.603 1.00 0.00 C ATOM 15 C SER A 2 14.335 3.298 6.570 1.00 0.00 C ATOM 16 O SER A 2 14.461 3.148 7.786 1.00 0.00 O ATOM 17 CB SER A 2 15.239 1.060 5.939 1.00 0.00 C ATOM 18 OG SER A 2 16.259 0.365 5.237 1.00 0.00 O ATOM 0 H SER A 2 17.192 2.659 6.362 1.00 0.00 H new ATOM 0 HA SER A 2 14.867 2.694 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.379 0.927 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.268 0.633 5.689 1.00 0.00 H new ATOM 0 HG SER A 2 16.230 -0.585 5.474 1.00 0.00 H new ATOM 24 N ASN A 3 13.436 4.117 6.026 1.00 0.00 N ATOM 25 CA ASN A 3 12.389 4.744 6.828 1.00 0.00 C ATOM 26 C ASN A 3 11.558 3.644 7.471 1.00 0.00 C ATOM 27 O ASN A 3 11.348 3.616 8.683 1.00 0.00 O ATOM 28 CB ASN A 3 11.492 5.630 5.949 1.00 0.00 C ATOM 29 CG ASN A 3 10.420 6.364 6.741 1.00 0.00 C ATOM 30 OD1 ASN A 3 9.334 5.836 6.986 1.00 0.00 O ATOM 31 ND2 ASN A 3 10.708 7.600 7.121 1.00 0.00 N ATOM 0 H ASN A 3 13.412 4.361 5.036 1.00 0.00 H new ATOM 0 HA ASN A 3 12.841 5.375 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.112 6.358 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.015 5.012 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.019 8.149 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.619 8.003 6.899 1.00 0.00 H new ATOM 38 N PHE A 4 11.104 2.737 6.623 1.00 0.00 N ATOM 39 CA PHE A 4 10.403 1.542 7.046 1.00 0.00 C ATOM 40 C PHE A 4 11.006 0.340 6.343 1.00 0.00 C ATOM 41 O PHE A 4 11.734 0.495 5.356 1.00 0.00 O ATOM 42 CB PHE A 4 8.920 1.640 6.687 1.00 0.00 C ATOM 43 CG PHE A 4 8.678 1.740 5.209 1.00 0.00 C ATOM 44 CD1 PHE A 4 8.745 2.962 4.559 1.00 0.00 C ATOM 45 CD2 PHE A 4 8.398 0.608 4.467 1.00 0.00 C ATOM 46 CE1 PHE A 4 8.535 3.050 3.197 1.00 0.00 C ATOM 47 CE2 PHE A 4 8.189 0.691 3.110 1.00 0.00 C ATOM 48 CZ PHE A 4 8.255 1.910 2.473 1.00 0.00 C ATOM 0 H PHE A 4 11.214 2.813 5.612 1.00 0.00 H new ATOM 0 HA PHE A 4 10.500 1.436 8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.399 0.765 7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.490 2.512 7.180 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.964 3.856 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.343 -0.352 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.590 4.008 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.973 -0.202 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.088 1.973 1.408 1.00 0.00 H new ATOM 58 N ASP A 5 10.701 -0.848 6.831 1.00 0.00 N ATOM 59 CA ASP A 5 11.023 -2.063 6.103 1.00 0.00 C ATOM 60 C ASP A 5 9.750 -2.865 5.857 1.00 0.00 C ATOM 61 O ASP A 5 9.067 -3.280 6.787 1.00 0.00 O ATOM 62 CB ASP A 5 12.100 -2.906 6.816 1.00 0.00 C ATOM 63 CG ASP A 5 11.727 -3.334 8.224 1.00 0.00 C ATOM 64 OD1 ASP A 5 11.735 -2.478 9.130 1.00 0.00 O ATOM 65 OD2 ASP A 5 11.449 -4.536 8.435 1.00 0.00 O ATOM 0 H ASP A 5 10.233 -0.998 7.725 1.00 0.00 H new ATOM 0 HA ASP A 5 11.452 -1.780 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.302 -3.796 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.026 -2.332 6.856 1.00 0.00 H new ATOM 70 N CYS A 6 9.400 -2.987 4.587 1.00 0.00 N ATOM 71 CA CYS A 6 8.254 -3.755 4.146 1.00 0.00 C ATOM 72 C CYS A 6 8.211 -5.165 4.719 1.00 0.00 C ATOM 73 O CYS A 6 9.242 -5.777 5.004 1.00 0.00 O ATOM 74 CB CYS A 6 8.287 -3.828 2.633 1.00 0.00 C ATOM 75 SG CYS A 6 9.973 -3.915 1.972 1.00 0.00 S ATOM 0 H CYS A 6 9.914 -2.547 3.824 1.00 0.00 H new ATOM 0 HA CYS A 6 7.359 -3.249 4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.727 -4.703 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.784 -2.953 2.220 1.00 0.00 H new ATOM 80 N CYS A 7 6.986 -5.641 4.894 1.00 0.00 N ATOM 81 CA CYS A 7 6.706 -7.026 5.245 1.00 0.00 C ATOM 82 C CYS A 7 7.567 -7.982 4.423 1.00 0.00 C ATOM 83 O CYS A 7 7.474 -8.016 3.196 1.00 0.00 O ATOM 84 CB CYS A 7 5.223 -7.303 4.988 1.00 0.00 C ATOM 85 SG CYS A 7 4.551 -8.776 5.809 1.00 0.00 S ATOM 0 H CYS A 7 6.148 -5.068 4.795 1.00 0.00 H new ATOM 0 HA CYS A 7 6.942 -7.186 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.648 -6.435 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.071 -7.406 3.914 1.00 0.00 H new ATOM 90 N LEU A 8 8.400 -8.755 5.113 1.00 0.00 N ATOM 91 CA LEU A 8 9.365 -9.635 4.461 1.00 0.00 C ATOM 92 C LEU A 8 8.664 -10.782 3.730 1.00 0.00 C ATOM 93 O LEU A 8 9.188 -11.330 2.760 1.00 0.00 O ATOM 94 CB LEU A 8 10.349 -10.191 5.496 1.00 0.00 C ATOM 95 CG LEU A 8 11.103 -9.139 6.316 1.00 0.00 C ATOM 96 CD1 LEU A 8 11.987 -9.805 7.360 1.00 0.00 C ATOM 97 CD2 LEU A 8 11.935 -8.244 5.406 1.00 0.00 C ATOM 0 H LEU A 8 8.426 -8.790 6.132 1.00 0.00 H new ATOM 0 HA LEU A 8 9.912 -9.050 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.802 -10.838 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.078 -10.816 4.980 1.00 0.00 H new ATOM 0 HG LEU A 8 10.370 -8.519 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.514 -9.041 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.370 -10.401 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.711 -10.451 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.463 -7.504 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.658 -8.851 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.280 -7.736 4.698 1.00 0.00 H new ATOM 109 N GLY A 9 7.480 -11.141 4.204 1.00 0.00 N ATOM 110 CA GLY A 9 6.721 -12.206 3.581 1.00 0.00 C ATOM 111 C GLY A 9 5.340 -11.742 3.195 1.00 0.00 C ATOM 112 O GLY A 9 4.703 -11.004 3.939 1.00 0.00 O ATOM 0 H GLY A 9 7.030 -10.712 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.248 -12.561 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.645 -13.050 4.266 1.00 0.00 H new ATOM 116 N TYR A 10 4.866 -12.168 2.039 1.00 0.00 N ATOM 117 CA TYR A 10 3.580 -11.713 1.547 1.00 0.00 C ATOM 118 C TYR A 10 2.465 -12.660 1.992 1.00 0.00 C ATOM 119 O TYR A 10 2.710 -13.651 2.684 1.00 0.00 O ATOM 120 CB TYR A 10 3.584 -11.614 0.020 1.00 0.00 C ATOM 121 CG TYR A 10 4.651 -10.723 -0.578 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.963 -11.160 -0.676 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.337 -9.459 -1.079 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.940 -10.369 -1.244 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.308 -8.666 -1.654 1.00 0.00 C ATOM 126 CZ TYR A 10 6.606 -9.124 -1.735 1.00 0.00 C ATOM 127 OH TYR A 10 7.573 -8.337 -2.317 1.00 0.00 O ATOM 0 H TYR A 10 5.349 -12.825 1.426 1.00 0.00 H new ATOM 0 HA TYR A 10 3.397 -10.723 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.703 -12.617 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.609 -11.250 -0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.225 -12.138 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.321 -9.097 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.959 -10.722 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.053 -7.690 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 10 7.203 -7.449 -2.504 1.00 0.00 H new ATOM 137 N THR A 11 1.241 -12.337 1.599 1.00 0.00 N ATOM 138 CA THR A 11 0.083 -13.168 1.892 1.00 0.00 C ATOM 139 C THR A 11 -0.244 -14.052 0.685 1.00 0.00 C ATOM 140 O THR A 11 0.527 -14.098 -0.274 1.00 0.00 O ATOM 141 CB THR A 11 -1.137 -12.283 2.248 1.00 0.00 C ATOM 142 OG1 THR A 11 -2.214 -13.083 2.750 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.618 -11.497 1.033 1.00 0.00 C ATOM 0 H THR A 11 1.023 -11.493 1.069 1.00 0.00 H new ATOM 0 HA THR A 11 0.314 -13.804 2.747 1.00 0.00 H new ATOM 0 HB THR A 11 -0.818 -11.582 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.531 -12.709 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.475 -10.884 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.814 -10.854 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.909 -12.190 0.243 1.00 0.00 H new ATOM 151 N ASP A 12 -1.372 -14.751 0.733 1.00 0.00 N ATOM 152 CA ASP A 12 -1.808 -15.584 -0.387 1.00 0.00 C ATOM 153 C ASP A 12 -3.335 -15.617 -0.471 1.00 0.00 C ATOM 154 O ASP A 12 -3.915 -16.467 -1.148 1.00 0.00 O ATOM 155 CB ASP A 12 -1.258 -17.008 -0.237 1.00 0.00 C ATOM 156 CG ASP A 12 -2.007 -17.849 0.791 1.00 0.00 C ATOM 157 OD1 ASP A 12 -2.314 -17.346 1.895 1.00 0.00 O ATOM 158 OD2 ASP A 12 -2.273 -19.033 0.503 1.00 0.00 O ATOM 0 H ASP A 12 -2.003 -14.759 1.534 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.419 -15.151 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.302 -17.509 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.207 -16.954 0.047 1.00 0.00 H new ATOM 163 N ARG A 13 -3.977 -14.661 0.191 1.00 0.00 N ATOM 164 CA ARG A 13 -5.435 -14.678 0.347 1.00 0.00 C ATOM 165 C ARG A 13 -6.149 -13.993 -0.803 1.00 0.00 C ATOM 166 O ARG A 13 -5.537 -13.596 -1.789 1.00 0.00 O ATOM 167 CB ARG A 13 -5.860 -13.948 1.616 1.00 0.00 C ATOM 168 CG ARG A 13 -5.024 -14.259 2.850 1.00 0.00 C ATOM 169 CD ARG A 13 -4.763 -15.749 3.013 1.00 0.00 C ATOM 170 NE ARG A 13 -5.988 -16.539 3.091 1.00 0.00 N ATOM 171 CZ ARG A 13 -6.081 -17.798 2.662 1.00 0.00 C ATOM 172 NH1 ARG A 13 -5.028 -18.398 2.115 1.00 0.00 N ATOM 173 NH2 ARG A 13 -7.230 -18.457 2.782 1.00 0.00 N ATOM 0 H ARG A 13 -3.516 -13.864 0.629 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.709 -15.732 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.820 -12.875 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.900 -14.196 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.073 -13.731 2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.535 -13.883 3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.164 -16.101 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.174 -15.912 3.916 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.817 -16.105 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.145 -17.895 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.103 -19.361 1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.039 -17.999 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.302 -19.420 2.454 1.00 0.00 H new ATOM 187 N ILE A 14 -7.461 -13.870 -0.633 1.00 0.00 N ATOM 188 CA ILE A 14 -8.302 -13.024 -1.463 1.00 0.00 C ATOM 189 C ILE A 14 -9.075 -12.064 -0.550 1.00 0.00 C ATOM 190 O ILE A 14 -10.149 -12.398 -0.042 1.00 0.00 O ATOM 191 CB ILE A 14 -9.306 -13.852 -2.311 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.588 -14.675 -3.384 1.00 0.00 C ATOM 193 CG2 ILE A 14 -10.351 -12.943 -2.954 1.00 0.00 C ATOM 194 CD1 ILE A 14 -8.301 -13.896 -4.647 1.00 0.00 C ATOM 0 H ILE A 14 -7.975 -14.364 0.097 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.663 -12.477 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.811 -14.544 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.649 -15.050 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.197 -15.544 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.043 -13.544 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.901 -12.414 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.855 -12.221 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.791 -14.540 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.238 -13.544 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.666 -13.042 -4.411 1.00 0.00 H new ATOM 206 N LEU A 15 -8.499 -10.898 -0.287 1.00 0.00 N ATOM 207 CA LEU A 15 -9.160 -9.888 0.534 1.00 0.00 C ATOM 208 C LEU A 15 -9.918 -8.935 -0.365 1.00 0.00 C ATOM 209 O LEU A 15 -9.731 -8.940 -1.574 1.00 0.00 O ATOM 210 CB LEU A 15 -8.163 -9.109 1.411 1.00 0.00 C ATOM 211 CG LEU A 15 -7.537 -9.885 2.575 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.593 -10.689 3.322 1.00 0.00 C ATOM 213 CD2 LEU A 15 -6.417 -10.780 2.073 1.00 0.00 C ATOM 0 H LEU A 15 -7.577 -10.627 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.849 -10.398 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.360 -8.741 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.673 -8.235 1.817 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.110 -9.169 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.124 -11.231 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.351 -10.014 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.060 -11.399 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.983 -11.324 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.815 -11.489 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.648 -10.170 1.599 1.00 0.00 H new ATOM 225 N HIS A 16 -10.807 -8.152 0.199 1.00 0.00 N ATOM 226 CA HIS A 16 -11.639 -7.282 -0.610 1.00 0.00 C ATOM 227 C HIS A 16 -11.689 -5.885 -0.049 1.00 0.00 C ATOM 228 O HIS A 16 -11.312 -5.665 1.097 1.00 0.00 O ATOM 229 CB HIS A 16 -13.059 -7.813 -0.664 1.00 0.00 C ATOM 230 CG HIS A 16 -13.191 -9.136 -1.310 1.00 0.00 C ATOM 231 ND1 HIS A 16 -14.314 -9.892 -1.172 1.00 0.00 N ATOM 232 CD2 HIS A 16 -12.363 -9.820 -2.128 1.00 0.00 C ATOM 233 CE1 HIS A 16 -14.185 -10.985 -1.868 1.00 0.00 C ATOM 234 NE2 HIS A 16 -13.011 -10.977 -2.472 1.00 0.00 N ATOM 0 H HIS A 16 -10.975 -8.096 1.204 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.198 -7.257 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.449 -7.877 0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.682 -7.097 -1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.379 -9.514 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.921 -11.772 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.649 -11.705 -3.088 1.00 0.00 H new ATOM 243 N PRO A 17 -12.224 -4.934 -0.834 1.00 0.00 N ATOM 244 CA PRO A 17 -12.603 -3.628 -0.316 1.00 0.00 C ATOM 245 C PRO A 17 -13.637 -3.815 0.790 1.00 0.00 C ATOM 246 O PRO A 17 -13.784 -2.981 1.680 1.00 0.00 O ATOM 247 CB PRO A 17 -13.217 -2.906 -1.523 1.00 0.00 C ATOM 248 CG PRO A 17 -13.506 -3.977 -2.525 1.00 0.00 C ATOM 249 CD PRO A 17 -12.499 -5.059 -2.275 1.00 0.00 C ATOM 0 HA PRO A 17 -11.770 -3.068 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.127 -2.376 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.529 -2.165 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.522 -4.355 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.422 -3.593 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.894 -6.043 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.598 -4.916 -2.871 1.00 0.00 H new ATOM 257 N LYS A 18 -14.329 -4.960 0.702 1.00 0.00 N ATOM 258 CA LYS A 18 -15.241 -5.451 1.735 1.00 0.00 C ATOM 259 C LYS A 18 -14.579 -5.416 3.114 1.00 0.00 C ATOM 260 O LYS A 18 -15.238 -5.189 4.130 1.00 0.00 O ATOM 261 CB LYS A 18 -15.638 -6.907 1.412 1.00 0.00 C ATOM 262 CG LYS A 18 -16.477 -7.086 0.156 1.00 0.00 C ATOM 263 CD LYS A 18 -16.919 -8.531 -0.004 1.00 0.00 C ATOM 264 CE LYS A 18 -18.042 -8.660 -1.018 1.00 0.00 C ATOM 265 NZ LYS A 18 -19.278 -7.980 -0.553 1.00 0.00 N ATOM 0 H LYS A 18 -14.267 -5.579 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.120 -4.807 1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.729 -7.500 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.190 -7.313 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.352 -6.438 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.901 -6.780 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.071 -9.139 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.250 -8.920 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.726 -8.231 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.252 -9.714 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.103 -8.391 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.379 -8.107 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.219 -6.965 -0.772 1.00 0.00 H new ATOM 279 N PHE A 19 -13.271 -5.644 3.140 1.00 0.00 N ATOM 280 CA PHE A 19 -12.553 -5.818 4.390 1.00 0.00 C ATOM 281 C PHE A 19 -11.452 -4.776 4.559 1.00 0.00 C ATOM 282 O PHE A 19 -10.770 -4.760 5.579 1.00 0.00 O ATOM 283 CB PHE A 19 -11.934 -7.221 4.435 1.00 0.00 C ATOM 284 CG PHE A 19 -12.928 -8.337 4.251 1.00 0.00 C ATOM 285 CD1 PHE A 19 -13.618 -8.849 5.333 1.00 0.00 C ATOM 286 CD2 PHE A 19 -13.165 -8.876 2.996 1.00 0.00 C ATOM 287 CE1 PHE A 19 -14.527 -9.878 5.170 1.00 0.00 C ATOM 288 CE2 PHE A 19 -14.074 -9.904 2.826 1.00 0.00 C ATOM 289 CZ PHE A 19 -14.755 -10.405 3.916 1.00 0.00 C ATOM 0 H PHE A 19 -12.688 -5.712 2.306 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.266 -5.692 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.172 -7.296 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.428 -7.353 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.445 -8.441 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.633 -8.488 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.059 -10.269 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.250 -10.314 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.465 -11.208 3.788 1.00 0.00 H new ATOM 299 N ILE A 20 -11.286 -3.899 3.579 1.00 0.00 N ATOM 300 CA ILE A 20 -10.169 -2.962 3.589 1.00 0.00 C ATOM 301 C ILE A 20 -10.630 -1.558 3.965 1.00 0.00 C ATOM 302 O ILE A 20 -11.462 -0.960 3.285 1.00 0.00 O ATOM 303 CB ILE A 20 -9.434 -2.948 2.225 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.618 -4.232 2.067 1.00 0.00 C ATOM 305 CG2 ILE A 20 -8.522 -1.730 2.100 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.428 -4.666 0.637 1.00 0.00 C ATOM 0 H ILE A 20 -11.905 -3.816 2.772 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.465 -3.302 4.348 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.181 -2.890 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.639 -4.087 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.111 -5.034 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.020 -1.749 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.117 -0.820 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.777 -1.750 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.840 -5.583 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.401 -4.845 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.906 -3.884 0.086 1.00 0.00 H new ATOM 318 N VAL A 21 -10.091 -1.048 5.069 1.00 0.00 N ATOM 319 CA VAL A 21 -10.396 0.304 5.520 1.00 0.00 C ATOM 320 C VAL A 21 -9.150 1.189 5.463 1.00 0.00 C ATOM 321 O VAL A 21 -9.217 2.403 5.680 1.00 0.00 O ATOM 322 CB VAL A 21 -10.983 0.311 6.950 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.373 -0.317 6.958 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.059 -0.408 7.927 1.00 0.00 C ATOM 0 H VAL A 21 -9.439 -1.554 5.669 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.150 0.707 4.843 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.070 1.348 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.772 -0.304 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.032 0.251 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.309 -1.347 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.497 -0.387 8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.928 -1.442 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.090 0.091 7.946 1.00 0.00 H new ATOM 334 N GLY A 22 -8.017 0.569 5.147 1.00 0.00 N ATOM 335 CA GLY A 22 -6.766 1.289 5.026 1.00 0.00 C ATOM 336 C GLY A 22 -5.833 0.600 4.055 1.00 0.00 C ATOM 337 O GLY A 22 -5.893 -0.616 3.893 1.00 0.00 O ATOM 0 H GLY A 22 -7.946 -0.433 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.960 2.307 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.289 1.363 6.003 1.00 0.00 H new ATOM 341 N PHE A 23 -4.967 1.359 3.414 1.00 0.00 N ATOM 342 CA PHE A 23 -4.061 0.823 2.422 1.00 0.00 C ATOM 343 C PHE A 23 -2.766 1.611 2.405 1.00 0.00 C ATOM 344 O PHE A 23 -2.770 2.839 2.362 1.00 0.00 O ATOM 345 CB PHE A 23 -4.764 0.849 1.081 1.00 0.00 C ATOM 346 CG PHE A 23 -3.859 1.075 -0.064 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.065 0.059 -0.545 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.812 2.310 -0.654 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.235 0.276 -1.609 1.00 0.00 C ATOM 350 CE2 PHE A 23 -2.984 2.537 -1.724 1.00 0.00 C ATOM 351 CZ PHE A 23 -2.193 1.510 -2.196 1.00 0.00 C ATOM 0 H PHE A 23 -4.873 2.363 3.567 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.793 -0.206 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.287 -0.097 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.521 1.633 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.098 -0.915 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.430 3.110 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.615 -0.524 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.952 3.510 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.536 1.682 -3.035 1.00 0.00 H new ATOM 361 N THR A 24 -1.665 0.890 2.471 1.00 0.00 N ATOM 362 CA THR A 24 -0.350 1.500 2.440 1.00 0.00 C ATOM 363 C THR A 24 0.536 0.782 1.424 1.00 0.00 C ATOM 364 O THR A 24 0.680 -0.439 1.481 1.00 0.00 O ATOM 365 CB THR A 24 0.325 1.461 3.827 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.542 2.046 4.807 1.00 0.00 O ATOM 367 CG2 THR A 24 1.652 2.210 3.819 1.00 0.00 C ATOM 0 H THR A 24 -1.655 -0.127 2.547 1.00 0.00 H new ATOM 0 HA THR A 24 -0.476 2.543 2.150 1.00 0.00 H new ATOM 0 HB THR A 24 0.518 0.418 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.237 1.401 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.102 2.164 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.324 1.751 3.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.480 3.251 3.547 1.00 0.00 H new ATOM 375 N ARG A 25 1.119 1.524 0.498 1.00 0.00 N ATOM 376 CA ARG A 25 1.948 0.918 -0.533 1.00 0.00 C ATOM 377 C ARG A 25 3.434 1.020 -0.176 1.00 0.00 C ATOM 378 O ARG A 25 4.044 2.086 -0.273 1.00 0.00 O ATOM 379 CB ARG A 25 1.664 1.554 -1.903 1.00 0.00 C ATOM 380 CG ARG A 25 1.863 3.065 -1.939 1.00 0.00 C ATOM 381 CD ARG A 25 2.063 3.584 -3.356 1.00 0.00 C ATOM 382 NE ARG A 25 0.874 3.413 -4.196 1.00 0.00 N ATOM 383 CZ ARG A 25 0.887 3.517 -5.525 1.00 0.00 C ATOM 384 NH1 ARG A 25 2.015 3.789 -6.167 1.00 0.00 N ATOM 385 NH2 ARG A 25 -0.234 3.365 -6.219 1.00 0.00 N ATOM 0 H ARG A 25 1.036 2.539 0.437 1.00 0.00 H new ATOM 0 HA ARG A 25 1.694 -0.140 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.314 1.094 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.638 1.326 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.997 3.555 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.728 3.331 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.326 4.641 -3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.904 3.063 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.013 3.203 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.881 3.920 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.017 3.867 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.110 3.168 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.219 3.445 -7.236 1.00 0.00 H new ATOM 399 N GLN A 26 4.006 -0.090 0.270 1.00 0.00 N ATOM 400 CA GLN A 26 5.431 -0.143 0.568 1.00 0.00 C ATOM 401 C GLN A 26 6.228 -0.265 -0.709 1.00 0.00 C ATOM 402 O GLN A 26 5.992 -1.165 -1.513 1.00 0.00 O ATOM 403 CB GLN A 26 5.753 -1.307 1.491 1.00 0.00 C ATOM 404 CG GLN A 26 5.393 -1.045 2.934 1.00 0.00 C ATOM 405 CD GLN A 26 5.397 -2.311 3.752 1.00 0.00 C ATOM 406 OE1 GLN A 26 5.696 -2.302 4.940 1.00 0.00 O ATOM 407 NE2 GLN A 26 5.049 -3.417 3.119 1.00 0.00 N ATOM 0 H GLN A 26 3.507 -0.964 0.433 1.00 0.00 H new ATOM 0 HA GLN A 26 5.704 0.783 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.220 -2.193 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.818 -1.530 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.100 -0.334 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.407 -0.583 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.807 -3.383 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.022 -4.305 3.621 1.00 0.00 H new ATOM 416 N LEU A 27 7.178 0.634 -0.874 1.00 0.00 N ATOM 417 CA LEU A 27 7.896 0.762 -2.122 1.00 0.00 C ATOM 418 C LEU A 27 9.391 0.533 -1.944 1.00 0.00 C ATOM 419 O LEU A 27 9.970 0.910 -0.922 1.00 0.00 O ATOM 420 CB LEU A 27 7.669 2.162 -2.678 1.00 0.00 C ATOM 421 CG LEU A 27 6.208 2.562 -2.874 1.00 0.00 C ATOM 422 CD1 LEU A 27 6.099 4.056 -3.116 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.590 1.787 -4.026 1.00 0.00 C ATOM 0 H LEU A 27 7.471 1.291 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 27 7.521 0.003 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.138 2.881 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.181 2.241 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 27 5.658 2.317 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.052 4.327 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.503 4.594 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.663 4.322 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.549 2.086 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.139 1.999 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.637 0.719 -3.813 1.00 0.00 H new ATOM 435 N ALA A 28 10.009 -0.069 -2.953 1.00 0.00 N ATOM 436 CA ALA A 28 11.456 -0.206 -3.006 1.00 0.00 C ATOM 437 C ALA A 28 12.090 1.121 -3.402 1.00 0.00 C ATOM 438 O ALA A 28 12.700 1.242 -4.463 1.00 0.00 O ATOM 439 CB ALA A 28 11.848 -1.295 -3.991 1.00 0.00 C ATOM 0 H ALA A 28 9.522 -0.474 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 28 11.820 -0.488 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.934 -1.386 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.413 -2.244 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.479 -1.038 -4.984 1.00 0.00 H new ATOM 445 N ASN A 29 11.921 2.121 -2.550 1.00 0.00 N ATOM 446 CA ASN A 29 12.370 3.469 -2.863 1.00 0.00 C ATOM 447 C ASN A 29 13.085 4.108 -1.680 1.00 0.00 C ATOM 448 O ASN A 29 14.288 4.359 -1.741 1.00 0.00 O ATOM 449 CB ASN A 29 11.186 4.347 -3.307 1.00 0.00 C ATOM 450 CG ASN A 29 10.738 4.052 -4.730 1.00 0.00 C ATOM 451 OD1 ASN A 29 11.206 4.678 -5.678 1.00 0.00 O ATOM 452 ND2 ASN A 29 9.830 3.098 -4.893 1.00 0.00 N ATOM 0 H ASN A 29 11.476 2.024 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 29 13.081 3.395 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.348 4.191 -2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.468 5.397 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.499 2.864 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.464 2.599 -4.082 1.00 0.00 H new ATOM 459 N GLU A 30 12.358 4.359 -0.602 1.00 0.00 N ATOM 460 CA GLU A 30 12.936 5.046 0.548 1.00 0.00 C ATOM 461 C GLU A 30 13.193 4.090 1.713 1.00 0.00 C ATOM 462 O GLU A 30 12.782 4.340 2.848 1.00 0.00 O ATOM 463 CB GLU A 30 12.037 6.211 0.979 1.00 0.00 C ATOM 464 CG GLU A 30 10.579 5.835 1.197 1.00 0.00 C ATOM 465 CD GLU A 30 9.725 7.037 1.540 1.00 0.00 C ATOM 466 OE1 GLU A 30 9.345 7.783 0.610 1.00 0.00 O ATOM 467 OE2 GLU A 30 9.438 7.248 2.734 1.00 0.00 O ATOM 0 H GLU A 30 11.377 4.101 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 30 13.904 5.446 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.432 6.636 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.088 6.993 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.189 5.359 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.511 5.101 2.000 1.00 0.00 H new ATOM 474 N GLY A 31 13.879 2.994 1.426 1.00 0.00 N ATOM 475 CA GLY A 31 14.288 2.091 2.480 1.00 0.00 C ATOM 476 C GLY A 31 13.948 0.647 2.183 1.00 0.00 C ATOM 477 O GLY A 31 14.831 -0.207 2.156 1.00 0.00 O ATOM 0 H GLY A 31 14.159 2.715 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.363 2.182 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.808 2.388 3.412 1.00 0.00 H new ATOM 481 N CYS A 32 12.669 0.379 1.973 1.00 0.00 N ATOM 482 CA CYS A 32 12.207 -0.971 1.679 1.00 0.00 C ATOM 483 C CYS A 32 12.849 -1.495 0.394 1.00 0.00 C ATOM 484 O CYS A 32 12.963 -0.769 -0.593 1.00 0.00 O ATOM 485 CB CYS A 32 10.673 -1.001 1.597 1.00 0.00 C ATOM 486 SG CYS A 32 9.999 -2.393 0.647 1.00 0.00 S ATOM 0 H CYS A 32 11.929 1.080 2.001 1.00 0.00 H new ATOM 0 HA CYS A 32 12.513 -1.632 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.268 -1.037 2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.327 -0.070 1.148 1.00 0.00 H new ATOM 491 N ASP A 33 13.288 -2.751 0.429 1.00 0.00 N ATOM 492 CA ASP A 33 14.002 -3.359 -0.698 1.00 0.00 C ATOM 493 C ASP A 33 13.035 -3.983 -1.690 1.00 0.00 C ATOM 494 O ASP A 33 13.320 -4.057 -2.887 1.00 0.00 O ATOM 495 CB ASP A 33 14.974 -4.443 -0.212 1.00 0.00 C ATOM 496 CG ASP A 33 16.042 -3.920 0.724 1.00 0.00 C ATOM 497 OD1 ASP A 33 17.042 -3.346 0.244 1.00 0.00 O ATOM 498 OD2 ASP A 33 15.903 -4.103 1.949 1.00 0.00 O ATOM 0 H ASP A 33 13.162 -3.372 1.228 1.00 0.00 H new ATOM 0 HA ASP A 33 14.559 -2.561 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.409 -5.226 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.453 -4.904 -1.076 1.00 0.00 H new ATOM 503 N ILE A 34 11.903 -4.446 -1.189 1.00 0.00 N ATOM 504 CA ILE A 34 10.895 -5.057 -2.033 1.00 0.00 C ATOM 505 C ILE A 34 9.737 -4.084 -2.202 1.00 0.00 C ATOM 506 O ILE A 34 9.932 -2.876 -2.147 1.00 0.00 O ATOM 507 CB ILE A 34 10.397 -6.403 -1.438 1.00 0.00 C ATOM 508 CG1 ILE A 34 9.636 -6.201 -0.118 1.00 0.00 C ATOM 509 CG2 ILE A 34 11.574 -7.337 -1.213 1.00 0.00 C ATOM 510 CD1 ILE A 34 9.005 -7.466 0.423 1.00 0.00 C ATOM 0 H ILE A 34 11.660 -4.410 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 34 11.335 -5.278 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 34 9.706 -6.844 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.322 -5.800 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.857 -5.453 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.217 -8.278 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.074 -7.528 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.277 -6.876 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.486 -7.244 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.293 -7.857 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.781 -8.209 0.608 1.00 0.00 H new ATOM 522 N ASN A 35 8.547 -4.587 -2.433 1.00 0.00 N ATOM 523 CA ASN A 35 7.366 -3.749 -2.418 1.00 0.00 C ATOM 524 C ASN A 35 6.160 -4.587 -2.059 1.00 0.00 C ATOM 525 O ASN A 35 5.861 -5.580 -2.714 1.00 0.00 O ATOM 526 CB ASN A 35 7.154 -2.999 -3.747 1.00 0.00 C ATOM 527 CG ASN A 35 7.324 -3.868 -4.975 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.373 -4.481 -5.461 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.535 -3.893 -5.511 1.00 0.00 N ATOM 0 H ASN A 35 8.369 -5.571 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 35 7.509 -2.979 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.153 -2.568 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.858 -2.169 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.707 -4.434 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.296 -3.371 -5.077 1.00 0.00 H new ATOM 536 N ALA A 36 5.496 -4.197 -0.988 1.00 0.00 N ATOM 537 CA ALA A 36 4.348 -4.939 -0.490 1.00 0.00 C ATOM 538 C ALA A 36 3.199 -4.002 -0.189 1.00 0.00 C ATOM 539 O ALA A 36 3.364 -3.000 0.513 1.00 0.00 O ATOM 540 CB ALA A 36 4.710 -5.740 0.755 1.00 0.00 C ATOM 0 H ALA A 36 5.731 -3.368 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 36 4.039 -5.637 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.833 -6.284 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.504 -6.447 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.052 -5.062 1.537 1.00 0.00 H new ATOM 546 N ILE A 37 2.044 -4.339 -0.723 1.00 0.00 N ATOM 547 CA ILE A 37 0.834 -3.576 -0.495 1.00 0.00 C ATOM 548 C ILE A 37 0.219 -3.973 0.838 1.00 0.00 C ATOM 549 O ILE A 37 -0.222 -5.100 1.010 1.00 0.00 O ATOM 550 CB ILE A 37 -0.194 -3.825 -1.624 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.378 -3.385 -2.979 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.507 -3.115 -1.324 1.00 0.00 C ATOM 553 CD1 ILE A 37 0.784 -1.927 -3.031 1.00 0.00 C ATOM 0 H ILE A 37 1.917 -5.150 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 37 1.095 -2.518 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.398 -4.894 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.246 -4.002 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.365 -3.573 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.215 -3.304 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.917 -3.490 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.330 -2.043 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.178 -1.694 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.085 -1.300 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.551 -1.736 -2.281 1.00 0.00 H new ATOM 565 N ILE A 38 0.207 -3.068 1.794 1.00 0.00 N ATOM 566 CA ILE A 38 -0.402 -3.366 3.073 1.00 0.00 C ATOM 567 C ILE A 38 -1.863 -2.953 3.077 1.00 0.00 C ATOM 568 O ILE A 38 -2.189 -1.765 3.169 1.00 0.00 O ATOM 569 CB ILE A 38 0.308 -2.683 4.261 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.778 -3.091 4.329 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.393 -3.044 5.565 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.500 -2.526 5.536 1.00 0.00 C ATOM 0 H ILE A 38 0.606 -2.133 1.713 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.306 -4.444 3.203 1.00 0.00 H new ATOM 0 HB ILE A 38 0.259 -1.604 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.846 -4.179 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.283 -2.757 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.115 -2.558 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.429 -2.708 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.367 -4.125 5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.540 -2.854 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.462 -1.437 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.018 -2.881 6.447 1.00 0.00 H new ATOM 584 N PHE A 39 -2.738 -3.930 2.958 1.00 0.00 N ATOM 585 CA PHE A 39 -4.158 -3.685 3.118 1.00 0.00 C ATOM 586 C PHE A 39 -4.520 -3.819 4.584 1.00 0.00 C ATOM 587 O PHE A 39 -4.427 -4.899 5.165 1.00 0.00 O ATOM 588 CB PHE A 39 -5.003 -4.650 2.287 1.00 0.00 C ATOM 589 CG PHE A 39 -4.958 -4.399 0.802 1.00 0.00 C ATOM 590 CD1 PHE A 39 -5.051 -3.111 0.282 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.853 -5.461 -0.078 1.00 0.00 C ATOM 592 CE1 PHE A 39 -5.035 -2.898 -1.087 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.834 -5.253 -1.440 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.925 -3.975 -1.944 1.00 0.00 C ATOM 0 H PHE A 39 -2.493 -4.898 2.752 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.371 -2.677 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.666 -5.668 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.038 -4.588 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.137 -2.269 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.785 -6.467 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.108 -1.895 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.748 -6.093 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.910 -3.815 -3.012 1.00 0.00 H new ATOM 604 N HIS A 40 -4.912 -2.714 5.181 1.00 0.00 N ATOM 605 CA HIS A 40 -5.265 -2.700 6.586 1.00 0.00 C ATOM 606 C HIS A 40 -6.734 -3.046 6.711 1.00 0.00 C ATOM 607 O HIS A 40 -7.603 -2.237 6.370 1.00 0.00 O ATOM 608 CB HIS A 40 -4.984 -1.333 7.221 1.00 0.00 C ATOM 609 CG HIS A 40 -3.620 -0.786 6.926 1.00 0.00 C ATOM 610 ND1 HIS A 40 -2.607 -0.697 7.856 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.116 -0.277 5.783 1.00 0.00 C ATOM 612 CE1 HIS A 40 -1.548 -0.139 7.289 1.00 0.00 C ATOM 613 NE2 HIS A 40 -1.834 0.123 6.033 1.00 0.00 N ATOM 0 H HIS A 40 -4.995 -1.811 4.714 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.656 -3.432 7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.732 -0.622 6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.104 -1.415 8.301 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.664 -1.010 8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.634 -0.200 4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.607 0.066 7.777 1.00 0.00 H new ATOM 622 N THR A 41 -7.009 -4.257 7.156 1.00 0.00 N ATOM 623 CA THR A 41 -8.370 -4.740 7.203 1.00 0.00 C ATOM 624 C THR A 41 -9.146 -4.128 8.353 1.00 0.00 C ATOM 625 O THR A 41 -8.572 -3.636 9.327 1.00 0.00 O ATOM 626 CB THR A 41 -8.434 -6.280 7.300 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.699 -6.738 8.438 1.00 0.00 O ATOM 628 CG2 THR A 41 -7.887 -6.929 6.033 1.00 0.00 C ATOM 0 H THR A 41 -6.309 -4.920 7.488 1.00 0.00 H new ATOM 0 HA THR A 41 -8.832 -4.432 6.265 1.00 0.00 H new ATOM 0 HB THR A 41 -9.479 -6.567 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.745 -6.779 8.216 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.943 -8.014 6.126 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.478 -6.608 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.848 -6.630 5.890 1.00 0.00 H new ATOM 636 N LYS A 42 -10.464 -4.155 8.214 1.00 0.00 N ATOM 637 CA LYS A 42 -11.367 -3.770 9.279 1.00 0.00 C ATOM 638 C LYS A 42 -11.125 -4.688 10.471 1.00 0.00 C ATOM 639 O LYS A 42 -11.417 -4.348 11.613 1.00 0.00 O ATOM 640 CB LYS A 42 -12.815 -3.880 8.773 1.00 0.00 C ATOM 641 CG LYS A 42 -13.831 -3.033 9.529 1.00 0.00 C ATOM 642 CD LYS A 42 -14.193 -3.624 10.883 1.00 0.00 C ATOM 643 CE LYS A 42 -15.284 -2.820 11.569 1.00 0.00 C ATOM 644 NZ LYS A 42 -16.598 -2.965 10.887 1.00 0.00 N ATOM 0 H LYS A 42 -10.934 -4.446 7.357 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.192 -2.740 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.838 -3.595 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.124 -4.924 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.429 -2.030 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.734 -2.932 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.525 -4.654 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.307 -3.652 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.376 -3.145 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.000 -1.768 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.348 -2.573 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.578 -2.451 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.787 -3.972 10.709 1.00 0.00 H new ATOM 658 N LYS A 43 -10.532 -5.845 10.181 1.00 0.00 N ATOM 659 CA LYS A 43 -10.246 -6.845 11.190 1.00 0.00 C ATOM 660 C LYS A 43 -8.919 -6.529 11.900 1.00 0.00 C ATOM 661 O LYS A 43 -8.372 -7.367 12.623 1.00 0.00 O ATOM 662 CB LYS A 43 -10.215 -8.238 10.538 1.00 0.00 C ATOM 663 CG LYS A 43 -10.240 -9.403 11.517 1.00 0.00 C ATOM 664 CD LYS A 43 -10.380 -10.729 10.788 1.00 0.00 C ATOM 665 CE LYS A 43 -10.374 -11.898 11.758 1.00 0.00 C ATOM 666 NZ LYS A 43 -10.556 -13.200 11.062 1.00 0.00 N ATOM 0 H LYS A 43 -10.240 -6.108 9.240 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.032 -6.834 11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.069 -8.328 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.317 -8.317 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.324 -9.405 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.069 -9.279 12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.307 -10.735 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.563 -10.842 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.432 -11.909 12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.169 -11.765 12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.546 -13.971 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.466 -13.200 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.783 -13.340 10.380 1.00 0.00 H new ATOM 680 N LYS A 44 -8.407 -5.313 11.664 1.00 0.00 N ATOM 681 CA LYS A 44 -7.211 -4.782 12.339 1.00 0.00 C ATOM 682 C LYS A 44 -5.920 -5.354 11.763 1.00 0.00 C ATOM 683 O LYS A 44 -4.852 -4.759 11.915 1.00 0.00 O ATOM 684 CB LYS A 44 -7.263 -5.019 13.856 1.00 0.00 C ATOM 685 CG LYS A 44 -8.377 -4.261 14.562 1.00 0.00 C ATOM 686 CD LYS A 44 -8.163 -2.757 14.493 1.00 0.00 C ATOM 687 CE LYS A 44 -9.300 -2.002 15.162 1.00 0.00 C ATOM 688 NZ LYS A 44 -9.083 -0.531 15.151 1.00 0.00 N ATOM 0 H LYS A 44 -8.815 -4.662 10.992 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.212 -3.707 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.388 -6.086 14.043 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.307 -4.729 14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.335 -4.514 14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.427 -4.574 15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.220 -2.500 14.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.082 -2.447 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.236 -2.233 14.653 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.404 -2.344 16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.883 -0.059 15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.204 -0.306 15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.010 -0.198 14.168 1.00 0.00 H new ATOM 702 N LEU A 45 -6.019 -6.492 11.100 1.00 0.00 N ATOM 703 CA LEU A 45 -4.851 -7.158 10.542 1.00 0.00 C ATOM 704 C LEU A 45 -4.334 -6.424 9.312 1.00 0.00 C ATOM 705 O LEU A 45 -5.089 -6.142 8.376 1.00 0.00 O ATOM 706 CB LEU A 45 -5.177 -8.610 10.187 1.00 0.00 C ATOM 707 CG LEU A 45 -5.542 -9.502 11.375 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.812 -10.922 10.908 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.436 -9.481 12.422 1.00 0.00 C ATOM 0 H LEU A 45 -6.900 -6.978 10.933 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.069 -7.147 11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.006 -8.617 9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.318 -9.045 9.677 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.451 -9.112 11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.070 -11.544 11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.639 -10.921 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.920 -11.322 10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.715 -10.122 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.509 -9.845 11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.292 -8.461 12.778 1.00 0.00 H new ATOM 721 N SER A 46 -3.054 -6.096 9.333 1.00 0.00 N ATOM 722 CA SER A 46 -2.397 -5.486 8.200 1.00 0.00 C ATOM 723 C SER A 46 -1.882 -6.566 7.258 1.00 0.00 C ATOM 724 O SER A 46 -0.895 -7.245 7.552 1.00 0.00 O ATOM 725 CB SER A 46 -1.259 -4.598 8.696 1.00 0.00 C ATOM 726 OG SER A 46 -0.574 -5.217 9.771 1.00 0.00 O ATOM 0 H SER A 46 -2.445 -6.247 10.137 1.00 0.00 H new ATOM 0 HA SER A 46 -3.105 -4.868 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.563 -4.400 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.656 -3.635 9.017 1.00 0.00 H new ATOM 0 HG SER A 46 -0.358 -6.143 9.532 1.00 0.00 H new ATOM 732 N VAL A 47 -2.569 -6.735 6.141 1.00 0.00 N ATOM 733 CA VAL A 47 -2.265 -7.807 5.211 1.00 0.00 C ATOM 734 C VAL A 47 -1.115 -7.415 4.290 1.00 0.00 C ATOM 735 O VAL A 47 -1.125 -6.334 3.698 1.00 0.00 O ATOM 736 CB VAL A 47 -3.504 -8.174 4.360 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.184 -9.297 3.388 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.672 -8.562 5.255 1.00 0.00 C ATOM 0 H VAL A 47 -3.346 -6.139 5.856 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.972 -8.676 5.799 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.787 -7.295 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.072 -9.535 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.382 -8.983 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.868 -10.180 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.534 -8.817 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.394 -9.423 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.926 -7.725 5.905 1.00 0.00 H new ATOM 748 N CYS A 48 -0.125 -8.294 4.170 1.00 0.00 N ATOM 749 CA CYS A 48 0.989 -8.055 3.274 1.00 0.00 C ATOM 750 C CYS A 48 0.611 -8.534 1.883 1.00 0.00 C ATOM 751 O CYS A 48 1.013 -9.611 1.439 1.00 0.00 O ATOM 752 CB CYS A 48 2.253 -8.764 3.771 1.00 0.00 C ATOM 753 SG CYS A 48 2.547 -8.555 5.566 1.00 0.00 S ATOM 0 H CYS A 48 -0.076 -9.174 4.683 1.00 0.00 H new ATOM 0 HA CYS A 48 1.207 -6.987 3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.177 -9.827 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.114 -8.382 3.223 1.00 0.00 H new ATOM 758 N ALA A 49 -0.203 -7.737 1.220 1.00 0.00 N ATOM 759 CA ALA A 49 -0.774 -8.098 -0.058 1.00 0.00 C ATOM 760 C ALA A 49 0.289 -8.124 -1.142 1.00 0.00 C ATOM 761 O ALA A 49 1.161 -7.258 -1.199 1.00 0.00 O ATOM 762 CB ALA A 49 -1.892 -7.126 -0.405 1.00 0.00 C ATOM 0 H ALA A 49 -0.487 -6.817 1.556 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.190 -9.103 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.324 -7.397 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.664 -7.170 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.491 -6.114 -0.459 1.00 0.00 H new ATOM 768 N ASN A 50 0.213 -9.133 -1.991 1.00 0.00 N ATOM 769 CA ASN A 50 1.199 -9.310 -3.043 1.00 0.00 C ATOM 770 C ASN A 50 0.863 -8.389 -4.188 1.00 0.00 C ATOM 771 O ASN A 50 -0.259 -8.408 -4.680 1.00 0.00 O ATOM 772 CB ASN A 50 1.219 -10.746 -3.590 1.00 0.00 C ATOM 773 CG ASN A 50 1.482 -11.829 -2.568 1.00 0.00 C ATOM 774 OD1 ASN A 50 2.117 -12.834 -2.877 1.00 0.00 O ATOM 775 ND2 ASN A 50 0.992 -11.657 -1.352 1.00 0.00 N ATOM 0 H ASN A 50 -0.520 -9.842 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 50 2.176 -9.088 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.260 -10.947 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.982 -10.810 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.137 -12.371 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.469 -10.810 -1.128 1.00 0.00 H new ATOM 782 N PRO A 51 1.814 -7.582 -4.643 1.00 0.00 N ATOM 783 CA PRO A 51 1.640 -6.773 -5.855 1.00 0.00 C ATOM 784 C PRO A 51 1.600 -7.642 -7.120 1.00 0.00 C ATOM 785 O PRO A 51 1.722 -7.147 -8.240 1.00 0.00 O ATOM 786 CB PRO A 51 2.877 -5.866 -5.873 1.00 0.00 C ATOM 787 CG PRO A 51 3.470 -5.976 -4.507 1.00 0.00 C ATOM 788 CD PRO A 51 3.116 -7.348 -4.009 1.00 0.00 C ATOM 0 HA PRO A 51 0.699 -6.223 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.587 -6.185 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.605 -4.835 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.551 -5.840 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.071 -5.206 -3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.854 -8.092 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.051 -7.382 -2.921 1.00 0.00 H new ATOM 796 N LYS A 52 1.423 -8.941 -6.915 1.00 0.00 N ATOM 797 CA LYS A 52 1.479 -9.938 -7.980 1.00 0.00 C ATOM 798 C LYS A 52 0.093 -10.467 -8.337 1.00 0.00 C ATOM 799 O LYS A 52 -0.118 -11.019 -9.417 1.00 0.00 O ATOM 800 CB LYS A 52 2.344 -11.112 -7.519 1.00 0.00 C ATOM 801 CG LYS A 52 3.855 -10.866 -7.548 1.00 0.00 C ATOM 802 CD LYS A 52 4.243 -9.455 -7.975 1.00 0.00 C ATOM 803 CE LYS A 52 5.753 -9.266 -7.982 1.00 0.00 C ATOM 804 NZ LYS A 52 6.408 -10.096 -9.025 1.00 0.00 N ATOM 0 H LYS A 52 1.234 -9.338 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 52 1.902 -9.460 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.056 -11.376 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.121 -11.974 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.264 -11.060 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.317 -11.581 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.846 -9.253 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.789 -8.732 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.987 -8.215 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.156 -9.527 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.402 -9.806 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.366 -11.098 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.916 -9.966 -9.932 1.00 0.00 H new ATOM 818 N GLN A 53 -0.850 -10.281 -7.435 1.00 0.00 N ATOM 819 CA GLN A 53 -2.148 -10.933 -7.534 1.00 0.00 C ATOM 820 C GLN A 53 -3.218 -9.952 -7.978 1.00 0.00 C ATOM 821 O GLN A 53 -3.231 -8.796 -7.555 1.00 0.00 O ATOM 822 CB GLN A 53 -2.499 -11.568 -6.188 1.00 0.00 C ATOM 823 CG GLN A 53 -2.054 -10.720 -5.012 1.00 0.00 C ATOM 824 CD GLN A 53 -2.096 -11.441 -3.683 1.00 0.00 C ATOM 825 OE1 GLN A 53 -1.940 -12.655 -3.611 1.00 0.00 O ATOM 826 NE2 GLN A 53 -2.292 -10.691 -2.614 1.00 0.00 N ATOM 0 H GLN A 53 -0.744 -9.680 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.099 -11.716 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.577 -11.723 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.032 -12.551 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.037 -10.371 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.689 -9.836 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.418 -9.684 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.318 -11.119 -1.688 1.00 0.00 H new ATOM 835 N THR A 54 -4.112 -10.425 -8.832 1.00 0.00 N ATOM 836 CA THR A 54 -5.098 -9.574 -9.484 1.00 0.00 C ATOM 837 C THR A 54 -6.091 -8.951 -8.513 1.00 0.00 C ATOM 838 O THR A 54 -6.496 -7.808 -8.710 1.00 0.00 O ATOM 839 CB THR A 54 -5.868 -10.338 -10.569 1.00 0.00 C ATOM 840 OG1 THR A 54 -6.131 -11.675 -10.130 1.00 0.00 O ATOM 841 CG2 THR A 54 -5.093 -10.359 -11.874 1.00 0.00 C ATOM 0 H THR A 54 -4.175 -11.409 -9.093 1.00 0.00 H new ATOM 0 HA THR A 54 -4.525 -8.766 -9.938 1.00 0.00 H new ATOM 0 HB THR A 54 -6.813 -9.825 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.624 -12.157 -10.826 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.661 -10.907 -12.626 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.929 -9.337 -12.216 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.131 -10.848 -11.718 1.00 0.00 H new ATOM 849 N TRP A 55 -6.487 -9.678 -7.471 1.00 0.00 N ATOM 850 CA TRP A 55 -7.401 -9.114 -6.483 1.00 0.00 C ATOM 851 C TRP A 55 -6.763 -7.896 -5.829 1.00 0.00 C ATOM 852 O TRP A 55 -7.440 -6.928 -5.492 1.00 0.00 O ATOM 853 CB TRP A 55 -7.837 -10.154 -5.451 1.00 0.00 C ATOM 854 CG TRP A 55 -6.790 -10.511 -4.464 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.887 -11.493 -4.543 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.563 -9.870 -3.246 1.00 0.00 C ATOM 857 NE1 TRP A 55 -5.102 -11.505 -3.437 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.500 -10.506 -2.612 1.00 0.00 C ATOM 859 CE3 TRP A 55 -7.165 -8.820 -2.646 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -5.035 -10.099 -1.371 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.725 -8.412 -1.451 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.668 -9.036 -0.808 1.00 0.00 C ATOM 0 H TRP A 55 -6.196 -10.639 -7.291 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.309 -8.795 -6.994 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.709 -9.776 -4.917 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.150 -11.058 -5.973 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.795 -12.180 -5.371 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.339 -12.157 -3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.991 -8.316 -3.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -4.214 -10.599 -0.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.207 -7.572 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.342 -8.672 0.155 1.00 0.00 H new ATOM 873 N VAL A 56 -5.450 -7.941 -5.699 1.00 0.00 N ATOM 874 CA VAL A 56 -4.693 -6.815 -5.199 1.00 0.00 C ATOM 875 C VAL A 56 -4.615 -5.722 -6.252 1.00 0.00 C ATOM 876 O VAL A 56 -4.934 -4.567 -5.975 1.00 0.00 O ATOM 877 CB VAL A 56 -3.280 -7.250 -4.774 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.324 -6.078 -4.760 1.00 0.00 C ATOM 879 CG2 VAL A 56 -3.330 -7.890 -3.407 1.00 0.00 C ATOM 0 H VAL A 56 -4.884 -8.755 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.207 -6.421 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.915 -7.974 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.335 -6.419 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.267 -5.643 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.681 -5.326 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.326 -8.196 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.719 -7.173 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.981 -8.764 -3.438 1.00 0.00 H new ATOM 889 N LYS A 57 -4.220 -6.108 -7.467 1.00 0.00 N ATOM 890 CA LYS A 57 -4.093 -5.168 -8.577 1.00 0.00 C ATOM 891 C LYS A 57 -5.399 -4.416 -8.788 1.00 0.00 C ATOM 892 O LYS A 57 -5.396 -3.224 -9.094 1.00 0.00 O ATOM 893 CB LYS A 57 -3.688 -5.895 -9.869 1.00 0.00 C ATOM 894 CG LYS A 57 -2.374 -6.650 -9.746 1.00 0.00 C ATOM 895 CD LYS A 57 -1.929 -7.247 -11.075 1.00 0.00 C ATOM 896 CE LYS A 57 -0.646 -8.051 -10.908 1.00 0.00 C ATOM 897 NZ LYS A 57 -0.119 -8.580 -12.200 1.00 0.00 N ATOM 0 H LYS A 57 -3.982 -7.071 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.310 -4.453 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.477 -6.594 -10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.607 -5.168 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.602 -5.975 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.482 -7.446 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.716 -7.889 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.771 -6.450 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.113 -7.422 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.831 -8.883 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.754 -9.118 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.829 -9.204 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.086 -7.788 -12.842 1.00 0.00 H new ATOM 911 N TYR A 58 -6.508 -5.121 -8.599 1.00 0.00 N ATOM 912 CA TYR A 58 -7.818 -4.521 -8.682 1.00 0.00 C ATOM 913 C TYR A 58 -8.019 -3.509 -7.556 1.00 0.00 C ATOM 914 O TYR A 58 -8.258 -2.331 -7.811 1.00 0.00 O ATOM 915 CB TYR A 58 -8.903 -5.607 -8.638 1.00 0.00 C ATOM 916 CG TYR A 58 -10.275 -5.073 -8.308 1.00 0.00 C ATOM 917 CD1 TYR A 58 -10.936 -4.216 -9.178 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.900 -5.410 -7.115 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.184 -3.711 -8.870 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.146 -4.911 -6.799 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.784 -4.058 -7.678 1.00 0.00 C ATOM 922 OH TYR A 58 -14.031 -3.555 -7.368 1.00 0.00 O ATOM 0 H TYR A 58 -6.517 -6.118 -8.386 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.898 -3.991 -9.631 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.941 -6.111 -9.604 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.626 -6.357 -7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.467 -3.940 -10.111 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.402 -6.074 -6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.687 -3.048 -9.559 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.621 -5.186 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.313 -3.897 -6.494 1.00 0.00 H new ATOM 932 N ILE A 59 -7.902 -3.968 -6.312 1.00 0.00 N ATOM 933 CA ILE A 59 -8.176 -3.119 -5.161 1.00 0.00 C ATOM 934 C ILE A 59 -7.273 -1.884 -5.142 1.00 0.00 C ATOM 935 O ILE A 59 -7.757 -0.764 -4.982 1.00 0.00 O ATOM 936 CB ILE A 59 -8.027 -3.883 -3.830 1.00 0.00 C ATOM 937 CG1 ILE A 59 -9.017 -5.042 -3.770 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.253 -2.946 -2.655 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.885 -5.899 -2.535 1.00 0.00 C ATOM 0 H ILE A 59 -7.620 -4.920 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.213 -2.798 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.014 -4.282 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -10.030 -4.643 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.880 -5.669 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.145 -3.499 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.520 -2.140 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.257 -2.526 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.623 -6.700 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.884 -6.329 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.052 -5.288 -1.648 1.00 0.00 H new ATOM 951 N VAL A 60 -5.970 -2.082 -5.335 1.00 0.00 N ATOM 952 CA VAL A 60 -5.018 -0.970 -5.273 1.00 0.00 C ATOM 953 C VAL A 60 -5.265 0.028 -6.409 1.00 0.00 C ATOM 954 O VAL A 60 -5.058 1.229 -6.242 1.00 0.00 O ATOM 955 CB VAL A 60 -3.542 -1.453 -5.290 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.211 -2.194 -6.577 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.595 -0.279 -5.092 1.00 0.00 C ATOM 0 H VAL A 60 -5.551 -2.991 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.185 -0.468 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.413 -2.152 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.170 -2.517 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.859 -3.065 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.366 -1.531 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.565 -0.636 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.740 0.445 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.801 0.197 -4.133 1.00 0.00 H new ATOM 967 N ARG A 61 -5.735 -0.467 -7.553 1.00 0.00 N ATOM 968 CA ARG A 61 -6.078 0.404 -8.674 1.00 0.00 C ATOM 969 C ARG A 61 -7.232 1.331 -8.298 1.00 0.00 C ATOM 970 O ARG A 61 -7.213 2.522 -8.611 1.00 0.00 O ATOM 971 CB ARG A 61 -6.432 -0.438 -9.907 1.00 0.00 C ATOM 972 CG ARG A 61 -7.141 0.333 -11.011 1.00 0.00 C ATOM 973 CD ARG A 61 -7.296 -0.507 -12.270 1.00 0.00 C ATOM 974 NE ARG A 61 -7.642 -1.899 -11.971 1.00 0.00 N ATOM 975 CZ ARG A 61 -8.861 -2.423 -12.110 1.00 0.00 C ATOM 976 NH1 ARG A 61 -9.874 -1.675 -12.531 1.00 0.00 N ATOM 977 NH2 ARG A 61 -9.061 -3.709 -11.842 1.00 0.00 N ATOM 0 H ARG A 61 -5.886 -1.461 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.214 1.023 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.517 -0.870 -10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.066 -1.268 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.123 0.650 -10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.578 1.237 -11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.069 -0.071 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.366 -0.480 -12.839 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.899 -2.510 -11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.724 -0.690 -12.751 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.802 -2.085 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.284 -4.292 -11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.992 -4.113 -11.947 1.00 0.00 H new ATOM 991 N LEU A 62 -8.219 0.780 -7.601 1.00 0.00 N ATOM 992 CA LEU A 62 -9.390 1.545 -7.185 1.00 0.00 C ATOM 993 C LEU A 62 -9.084 2.394 -5.951 1.00 0.00 C ATOM 994 O LEU A 62 -9.685 3.453 -5.750 1.00 0.00 O ATOM 995 CB LEU A 62 -10.578 0.614 -6.899 1.00 0.00 C ATOM 996 CG LEU A 62 -11.366 0.135 -8.128 1.00 0.00 C ATOM 997 CD1 LEU A 62 -11.949 1.317 -8.884 1.00 0.00 C ATOM 998 CD2 LEU A 62 -10.500 -0.707 -9.056 1.00 0.00 C ATOM 0 H LEU A 62 -8.232 -0.198 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.656 2.211 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.208 -0.261 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.266 1.130 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.182 -0.493 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.503 0.957 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.620 1.872 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.142 1.971 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.091 -1.028 -9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.653 -0.114 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.136 -1.583 -8.519 1.00 0.00 H new ATOM 1010 N LEU A 63 -8.166 1.911 -5.122 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.736 2.637 -3.931 1.00 0.00 C ATOM 1012 C LEU A 63 -6.875 3.837 -4.289 1.00 0.00 C ATOM 1013 O LEU A 63 -7.087 4.942 -3.777 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.978 1.717 -2.981 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.860 0.747 -2.197 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -7.028 -0.059 -1.226 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.964 1.496 -1.465 1.00 0.00 C ATOM 0 H LEU A 63 -7.701 1.013 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.634 3.000 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.250 1.143 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.416 2.329 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.326 0.060 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.673 -0.745 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.278 -0.628 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.533 0.614 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.581 0.787 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.521 2.209 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.582 2.029 -2.187 1.00 0.00 H new ATOM 1029 N SER A 64 -5.918 3.616 -5.175 1.00 0.00 N ATOM 1030 CA SER A 64 -4.947 4.638 -5.529 1.00 0.00 C ATOM 1031 C SER A 64 -5.517 5.616 -6.550 1.00 0.00 C ATOM 1032 O SER A 64 -5.335 6.828 -6.425 1.00 0.00 O ATOM 1033 CB SER A 64 -3.670 3.986 -6.067 1.00 0.00 C ATOM 1034 OG SER A 64 -2.614 4.921 -6.191 1.00 0.00 O ATOM 0 H SER A 64 -5.793 2.731 -5.666 1.00 0.00 H new ATOM 0 HA SER A 64 -4.706 5.203 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.365 3.180 -5.400 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.873 3.536 -7.039 1.00 0.00 H new ATOM 0 HG SER A 64 -2.218 4.851 -7.085 1.00 0.00 H new ATOM 1040 N LYS A 65 -6.211 5.102 -7.556 1.00 0.00 N ATOM 1041 CA LYS A 65 -6.778 5.965 -8.575 1.00 0.00 C ATOM 1042 C LYS A 65 -8.249 6.215 -8.287 1.00 0.00 C ATOM 1043 O LYS A 65 -9.122 5.433 -8.671 1.00 0.00 O ATOM 1044 CB LYS A 65 -6.592 5.371 -9.976 1.00 0.00 C ATOM 1045 CG LYS A 65 -6.901 6.343 -11.113 1.00 0.00 C ATOM 1046 CD LYS A 65 -5.689 7.185 -11.514 1.00 0.00 C ATOM 1047 CE LYS A 65 -5.250 8.153 -10.421 1.00 0.00 C ATOM 1048 NZ LYS A 65 -6.345 9.075 -10.017 1.00 0.00 N ATOM 0 H LYS A 65 -6.392 4.106 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.247 6.917 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.564 5.025 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.234 4.496 -10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.252 5.783 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.713 7.004 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.859 6.523 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.927 7.748 -12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.913 7.589 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.398 8.735 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.965 9.810 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.753 9.521 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.083 8.539 -9.518 1.00 0.00 H new ATOM 1062 N LYS A 66 -8.514 7.300 -7.582 1.00 0.00 N ATOM 1063 CA LYS A 66 -9.869 7.648 -7.194 1.00 0.00 C ATOM 1064 C LYS A 66 -10.581 8.395 -8.313 1.00 0.00 C ATOM 1065 O LYS A 66 -10.622 9.619 -8.329 1.00 0.00 O ATOM 1066 CB LYS A 66 -9.866 8.500 -5.927 1.00 0.00 C ATOM 1067 CG LYS A 66 -9.179 7.832 -4.744 1.00 0.00 C ATOM 1068 CD LYS A 66 -9.279 8.686 -3.491 1.00 0.00 C ATOM 1069 CE LYS A 66 -8.519 8.072 -2.326 1.00 0.00 C ATOM 1070 NZ LYS A 66 -8.949 6.675 -2.054 1.00 0.00 N ATOM 0 H LYS A 66 -7.803 7.959 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.405 6.720 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.369 9.447 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.895 8.734 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.633 6.858 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.130 7.655 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.885 9.681 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.327 8.808 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.451 8.087 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.672 8.679 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.834 6.467 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.948 6.561 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.366 6.018 -2.611 1.00 0.00 H new ATOM 1084 N VAL A 67 -11.119 7.643 -9.262 1.00 0.00 N ATOM 1085 CA VAL A 67 -11.927 8.215 -10.330 1.00 0.00 C ATOM 1086 C VAL A 67 -13.378 8.303 -9.859 1.00 0.00 C ATOM 1087 O VAL A 67 -14.274 8.738 -10.578 1.00 0.00 O ATOM 1088 CB VAL A 67 -11.824 7.363 -11.615 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -12.393 8.107 -12.812 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -10.378 6.949 -11.875 1.00 0.00 C ATOM 0 H VAL A 67 -11.010 6.630 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.558 9.213 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.417 6.461 -11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.307 7.484 -13.702 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.443 8.339 -12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.838 9.033 -12.963 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.329 6.350 -12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.760 7.839 -11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.011 6.362 -11.033 1.00 0.00 H new ATOM 1100 N LYS A 68 -13.577 7.896 -8.614 1.00 0.00 N ATOM 1101 CA LYS A 68 -14.888 7.903 -7.981 1.00 0.00 C ATOM 1102 C LYS A 68 -15.077 9.181 -7.169 1.00 0.00 C ATOM 1103 O LYS A 68 -15.904 9.234 -6.256 1.00 0.00 O ATOM 1104 CB LYS A 68 -15.055 6.682 -7.059 1.00 0.00 C ATOM 1105 CG LYS A 68 -15.182 5.345 -7.777 1.00 0.00 C ATOM 1106 CD LYS A 68 -13.880 4.918 -8.449 1.00 0.00 C ATOM 1107 CE LYS A 68 -12.758 4.688 -7.445 1.00 0.00 C ATOM 1108 NZ LYS A 68 -13.057 3.567 -6.513 1.00 0.00 N ATOM 0 H LYS A 68 -12.830 7.550 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.642 7.859 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.200 6.635 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.940 6.831 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.487 4.580 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.970 5.412 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.050 4.003 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.574 5.683 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.832 4.476 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.593 5.600 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.212 2.971 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.332 3.950 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.837 2.996 -6.896 1.00 0.00 H new ATOM 1122 N ASN A 69 -14.307 10.209 -7.516 1.00 0.00 N ATOM 1123 CA ASN A 69 -14.377 11.500 -6.834 1.00 0.00 C ATOM 1124 C ASN A 69 -15.701 12.189 -7.141 1.00 0.00 C ATOM 1125 O ASN A 69 -16.165 13.041 -6.382 1.00 0.00 O ATOM 1126 CB ASN A 69 -13.203 12.395 -7.257 1.00 0.00 C ATOM 1127 CG ASN A 69 -13.190 12.700 -8.747 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -12.682 11.913 -9.545 1.00 0.00 O ATOM 1129 ND2 ASN A 69 -13.723 13.851 -9.131 1.00 0.00 N ATOM 0 H ASN A 69 -13.622 10.173 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.313 11.327 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.250 13.331 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.267 11.909 -6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.721 14.110 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.135 14.478 -8.440 1.00 0.00 H new ATOM 1136 N MET A 70 -16.304 11.803 -8.256 1.00 0.00 N ATOM 1137 CA MET A 70 -17.595 12.330 -8.651 1.00 0.00 C ATOM 1138 C MET A 70 -18.672 11.271 -8.449 1.00 0.00 C ATOM 1139 O MET A 70 -18.786 10.369 -9.301 1.00 0.00 O ATOM 1140 CB MET A 70 -17.564 12.783 -10.114 1.00 0.00 C ATOM 1141 CG MET A 70 -18.885 13.365 -10.593 1.00 0.00 C ATOM 1142 SD MET A 70 -18.868 13.799 -12.342 1.00 0.00 S ATOM 1143 CE MET A 70 -17.569 15.035 -12.382 1.00 0.00 C ATOM 1144 OXT MET A 70 -19.380 11.334 -7.429 1.00 0.00 O ATOM 0 H MET A 70 -15.913 11.121 -8.906 1.00 0.00 H new ATOM 0 HA MET A 70 -17.826 13.194 -8.028 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.780 13.529 -10.239 1.00 0.00 H new ATOM 0 HB3 MET A 70 -17.299 11.934 -10.744 1.00 0.00 H new ATOM 0 HG2 MET A 70 -19.681 12.643 -10.411 1.00 0.00 H new ATOM 0 HG3 MET A 70 -19.119 14.253 -10.006 1.00 0.00 H new ATOM 0 HE1 MET A 70 -17.640 15.608 -13.306 1.00 0.00 H new ATOM 0 HE2 MET A 70 -17.679 15.706 -11.530 1.00 0.00 H new ATOM 0 HE3 MET A 70 -16.597 14.543 -12.334 1.00 0.00 H new TER 1154 MET A 70