USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 ASN : amide:sc= -2.38! C(o=-3.1!,f=-4.3!) USER MOD Set 1.3: A 46 MET CE :methyl 160:sc= -0.703 (180deg=-0.938) USER MOD Single : A 3 THR OG1 : rot 9:sc= 0.745 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 23 THR OG1 : rot 90:sc= -3.57! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -2.35! USER MOD Single : A 37 SER OG : rot 54:sc= 0.962 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -105:sc= -0.204 (180deg=-0.77) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= -0.695 (180deg=-0.716) USER MOD Single : A 52 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.3!) USER MOD Single : A 64 HIS : no HD1:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.12! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 150:sc= -0.325 USER MOD Single : A 78 HIS : no HD1:sc= -12.8! C(o=-13!,f=-11!) USER MOD Single : A 79 GLN : amide:sc= -5.84! C(o=-5.8!,f=-8.9!) USER MOD Single : A 81 SER OG : rot 100:sc= -7.46! USER MOD Single : A 83 ASN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 85 SER OG : rot -125:sc= -1.85! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -8.339 27.901 -7.519 1.00 0.00 N ATOM 2 CA THR A 3 -8.460 27.214 -8.800 1.00 0.00 C ATOM 3 C THR A 3 -7.292 26.259 -9.023 1.00 0.00 C ATOM 4 O THR A 3 -7.333 25.409 -9.912 1.00 0.00 O ATOM 5 CB THR A 3 -8.521 28.213 -9.970 1.00 0.00 C ATOM 6 OG1 THR A 3 -8.696 29.545 -9.469 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.663 27.870 -10.916 1.00 0.00 C ATOM 0 HA THR A 3 -9.390 26.647 -8.768 1.00 0.00 H new ATOM 0 HB THR A 3 -7.582 28.151 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.595 29.544 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.686 28.590 -11.734 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.514 26.868 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.608 27.907 -10.374 1.00 0.00 H new ATOM 15 N ASP A 4 -6.253 26.407 -8.209 1.00 0.00 N ATOM 16 CA ASP A 4 -5.071 25.559 -8.314 1.00 0.00 C ATOM 17 C ASP A 4 -4.062 25.898 -7.222 1.00 0.00 C ATOM 18 O ASP A 4 -3.412 26.943 -7.266 1.00 0.00 O ATOM 19 CB ASP A 4 -4.423 25.718 -9.691 1.00 0.00 C ATOM 20 CG ASP A 4 -3.337 24.689 -9.941 1.00 0.00 C ATOM 21 OD1 ASP A 4 -3.081 23.865 -9.039 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.743 24.709 -11.039 1.00 0.00 O ATOM 0 H ASP A 4 -6.205 27.107 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.385 24.523 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.188 25.629 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.999 26.718 -9.777 1.00 0.00 H new ATOM 27 N ILE A 5 -3.937 25.009 -6.244 1.00 0.00 N ATOM 28 CA ILE A 5 -3.010 25.210 -5.141 1.00 0.00 C ATOM 29 C ILE A 5 -1.958 24.104 -5.114 1.00 0.00 C ATOM 30 O ILE A 5 -2.120 23.066 -5.757 1.00 0.00 O ATOM 31 CB ILE A 5 -3.765 25.270 -3.794 1.00 0.00 C ATOM 32 CG1 ILE A 5 -4.198 26.707 -3.497 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.921 24.724 -2.648 1.00 0.00 C ATOM 34 CD1 ILE A 5 -5.569 27.049 -4.037 1.00 0.00 C ATOM 0 H ILE A 5 -4.468 24.140 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.504 26.164 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.649 24.638 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.192 26.864 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.467 27.394 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.487 24.784 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.663 23.684 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.009 25.313 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.810 28.083 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.575 26.924 -5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.311 26.387 -3.591 1.00 0.00 H new ATOM 46 N ASP A 6 -0.883 24.330 -4.369 1.00 0.00 N ATOM 47 CA ASP A 6 0.189 23.348 -4.264 1.00 0.00 C ATOM 48 C ASP A 6 -0.160 22.265 -3.254 1.00 0.00 C ATOM 49 O ASP A 6 -0.172 22.507 -2.047 1.00 0.00 O ATOM 50 CB ASP A 6 1.501 24.022 -3.864 1.00 0.00 C ATOM 51 CG ASP A 6 2.690 23.089 -3.984 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.487 21.858 -3.923 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.824 23.589 -4.138 1.00 0.00 O ATOM 0 H ASP A 6 -0.730 25.182 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 6 0.311 22.886 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.664 24.897 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.425 24.379 -2.837 1.00 0.00 H new ATOM 58 N GLU A 7 -0.428 21.066 -3.755 1.00 0.00 N ATOM 59 CA GLU A 7 -0.759 19.940 -2.896 1.00 0.00 C ATOM 60 C GLU A 7 0.500 19.159 -2.557 1.00 0.00 C ATOM 61 O GLU A 7 0.563 18.467 -1.543 1.00 0.00 O ATOM 62 CB GLU A 7 -1.773 19.016 -3.575 1.00 0.00 C ATOM 63 CG GLU A 7 -2.931 19.746 -4.245 1.00 0.00 C ATOM 64 CD GLU A 7 -2.519 20.464 -5.515 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.336 20.357 -5.902 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.379 21.134 -6.124 1.00 0.00 O ATOM 0 H GLU A 7 -0.422 20.850 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.204 20.328 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.256 18.414 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.174 18.326 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.719 19.030 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.352 20.468 -3.546 1.00 0.00 H new ATOM 73 N CYS A 8 1.505 19.282 -3.418 1.00 0.00 N ATOM 74 CA CYS A 8 2.772 18.594 -3.219 1.00 0.00 C ATOM 75 C CYS A 8 3.538 19.210 -2.058 1.00 0.00 C ATOM 76 O CYS A 8 4.060 18.499 -1.198 1.00 0.00 O ATOM 77 CB CYS A 8 3.612 18.652 -4.495 1.00 0.00 C ATOM 78 SG CYS A 8 4.262 17.042 -5.028 1.00 0.00 S ATOM 0 H CYS A 8 1.465 19.854 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 8 2.564 17.551 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.005 19.071 -5.298 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.447 19.335 -4.337 1.00 0.00 H new ATOM 83 N ARG A 9 3.594 20.537 -2.032 1.00 0.00 N ATOM 84 CA ARG A 9 4.288 21.243 -0.965 1.00 0.00 C ATOM 85 C ARG A 9 3.799 20.755 0.391 1.00 0.00 C ATOM 86 O ARG A 9 4.571 20.659 1.345 1.00 0.00 O ATOM 87 CB ARG A 9 4.072 22.752 -1.092 1.00 0.00 C ATOM 88 CG ARG A 9 5.086 23.580 -0.319 1.00 0.00 C ATOM 89 CD ARG A 9 5.569 24.769 -1.132 1.00 0.00 C ATOM 90 NE ARG A 9 5.935 25.900 -0.283 1.00 0.00 N ATOM 91 CZ ARG A 9 5.995 27.155 -0.717 1.00 0.00 C ATOM 92 NH1 ARG A 9 5.713 27.436 -1.982 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.335 28.130 0.115 1.00 0.00 N ATOM 0 H ARG A 9 3.169 21.142 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 9 5.355 21.038 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.116 23.029 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.070 22.998 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.638 23.931 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.936 22.955 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.429 24.473 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.787 25.075 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 9 6.156 25.717 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.449 26.688 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.760 28.400 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.551 27.917 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.381 29.093 -0.219 1.00 0.00 H new ATOM 107 N ILE A 10 2.510 20.435 0.466 1.00 0.00 N ATOM 108 CA ILE A 10 1.923 19.941 1.702 1.00 0.00 C ATOM 109 C ILE A 10 2.864 18.955 2.377 1.00 0.00 C ATOM 110 O ILE A 10 3.008 18.949 3.600 1.00 0.00 O ATOM 111 CB ILE A 10 0.570 19.251 1.434 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.502 20.295 1.125 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.158 18.389 2.620 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.972 21.058 2.344 1.00 0.00 C ATOM 0 H ILE A 10 1.856 20.510 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 10 1.759 20.796 2.358 1.00 0.00 H new ATOM 0 HB ILE A 10 0.680 18.599 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.110 21.001 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.357 19.801 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.799 17.912 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.914 17.623 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.064 19.014 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.732 21.781 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.395 20.362 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.128 21.581 2.794 1.00 0.00 H new ATOM 126 N SER A 11 3.500 18.121 1.565 1.00 0.00 N ATOM 127 CA SER A 11 4.427 17.123 2.069 1.00 0.00 C ATOM 128 C SER A 11 5.319 16.601 0.947 1.00 0.00 C ATOM 129 O SER A 11 4.908 16.557 -0.213 1.00 0.00 O ATOM 130 CB SER A 11 3.655 15.967 2.704 1.00 0.00 C ATOM 131 OG SER A 11 4.089 15.730 4.031 1.00 0.00 O ATOM 0 H SER A 11 3.389 18.118 0.551 1.00 0.00 H new ATOM 0 HA SER A 11 5.060 17.589 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.589 16.194 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.790 15.065 2.108 1.00 0.00 H new ATOM 0 HG SER A 11 3.578 14.987 4.415 1.00 0.00 H new ATOM 137 N PRO A 12 6.552 16.193 1.278 1.00 0.00 N ATOM 138 CA PRO A 12 7.503 15.671 0.310 1.00 0.00 C ATOM 139 C PRO A 12 7.331 14.172 0.110 1.00 0.00 C ATOM 140 O PRO A 12 7.815 13.602 -0.867 1.00 0.00 O ATOM 141 CB PRO A 12 8.867 15.970 0.949 1.00 0.00 C ATOM 142 CG PRO A 12 8.588 16.449 2.346 1.00 0.00 C ATOM 143 CD PRO A 12 7.128 16.200 2.618 1.00 0.00 C ATOM 0 HA PRO A 12 7.377 16.118 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.493 15.078 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.405 16.728 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.210 15.918 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.822 17.509 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.967 15.253 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.693 16.980 3.242 1.00 0.00 H new ATOM 151 N ASP A 13 6.632 13.542 1.049 1.00 0.00 N ATOM 152 CA ASP A 13 6.383 12.109 0.988 1.00 0.00 C ATOM 153 C ASP A 13 4.922 11.840 0.662 1.00 0.00 C ATOM 154 O ASP A 13 4.404 10.754 0.921 1.00 0.00 O ATOM 155 CB ASP A 13 6.754 11.448 2.317 1.00 0.00 C ATOM 156 CG ASP A 13 7.453 10.115 2.125 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.594 10.111 1.617 1.00 0.00 O ATOM 158 OD2 ASP A 13 6.859 9.077 2.482 1.00 0.00 O ATOM 0 H ASP A 13 6.228 14.005 1.863 1.00 0.00 H new ATOM 0 HA ASP A 13 7.003 11.683 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.402 12.117 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.852 11.300 2.910 1.00 0.00 H new ATOM 163 N LEU A 14 4.262 12.844 0.096 1.00 0.00 N ATOM 164 CA LEU A 14 2.854 12.729 -0.267 1.00 0.00 C ATOM 165 C LEU A 14 2.554 11.369 -0.890 1.00 0.00 C ATOM 166 O LEU A 14 1.615 10.686 -0.487 1.00 0.00 O ATOM 167 CB LEU A 14 2.468 13.839 -1.244 1.00 0.00 C ATOM 168 CG LEU A 14 1.343 14.759 -0.769 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.676 16.207 -1.085 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.021 14.365 -1.411 1.00 0.00 C ATOM 0 H LEU A 14 4.680 13.748 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 14 2.265 12.827 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.351 14.445 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.169 13.383 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 14 1.244 14.653 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.866 16.850 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.601 16.486 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.801 16.325 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.767 15.032 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.106 14.442 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.224 13.339 -1.138 1.00 0.00 H new ATOM 182 N CYS A 15 3.353 10.994 -1.880 1.00 0.00 N ATOM 183 CA CYS A 15 3.177 9.722 -2.577 1.00 0.00 C ATOM 184 C CYS A 15 3.391 8.534 -1.645 1.00 0.00 C ATOM 185 O CYS A 15 3.113 7.391 -2.006 1.00 0.00 O ATOM 186 CB CYS A 15 4.149 9.631 -3.753 1.00 0.00 C ATOM 187 SG CYS A 15 3.347 9.321 -5.356 1.00 0.00 S ATOM 0 H CYS A 15 4.134 11.554 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 15 2.151 9.685 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.715 10.560 -3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.866 8.834 -3.557 1.00 0.00 H new ATOM 192 N GLY A 16 3.893 8.809 -0.448 1.00 0.00 N ATOM 193 CA GLY A 16 4.143 7.751 0.513 1.00 0.00 C ATOM 194 C GLY A 16 5.181 6.748 0.032 1.00 0.00 C ATOM 195 O GLY A 16 5.411 5.730 0.685 1.00 0.00 O ATOM 0 H GLY A 16 4.132 9.746 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.478 8.192 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.209 7.228 0.722 1.00 0.00 H new ATOM 199 N ARG A 17 5.812 7.040 -1.105 1.00 0.00 N ATOM 200 CA ARG A 17 6.835 6.161 -1.671 1.00 0.00 C ATOM 201 C ARG A 17 7.254 6.643 -3.055 1.00 0.00 C ATOM 202 O ARG A 17 8.441 6.681 -3.378 1.00 0.00 O ATOM 203 CB ARG A 17 6.328 4.719 -1.766 1.00 0.00 C ATOM 204 CG ARG A 17 7.385 3.741 -2.254 1.00 0.00 C ATOM 205 CD ARG A 17 8.231 3.214 -1.105 1.00 0.00 C ATOM 206 NE ARG A 17 9.037 2.063 -1.502 1.00 0.00 N ATOM 207 CZ ARG A 17 9.738 1.326 -0.647 1.00 0.00 C ATOM 208 NH1 ARG A 17 9.729 1.618 0.646 1.00 0.00 N ATOM 209 NH2 ARG A 17 10.448 0.295 -1.086 1.00 0.00 N ATOM 0 H ARG A 17 5.632 7.881 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 17 7.698 6.189 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.973 4.401 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.473 4.686 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.903 2.907 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.028 4.233 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.885 4.007 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.582 2.933 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 17 9.063 1.811 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.183 2.410 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.268 1.051 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.456 0.068 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.986 -0.270 -0.429 1.00 0.00 H new ATOM 223 N GLY A 18 6.270 7.007 -3.871 1.00 0.00 N ATOM 224 CA GLY A 18 6.554 7.476 -5.215 1.00 0.00 C ATOM 225 C GLY A 18 6.955 8.937 -5.250 1.00 0.00 C ATOM 226 O GLY A 18 7.707 9.403 -4.395 1.00 0.00 O ATOM 0 H GLY A 18 5.280 6.986 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.354 6.873 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.673 7.330 -5.841 1.00 0.00 H new ATOM 230 N GLN A 19 6.452 9.659 -6.246 1.00 0.00 N ATOM 231 CA GLN A 19 6.762 11.076 -6.396 1.00 0.00 C ATOM 232 C GLN A 19 5.511 11.875 -6.744 1.00 0.00 C ATOM 233 O GLN A 19 4.961 11.740 -7.837 1.00 0.00 O ATOM 234 CB GLN A 19 7.824 11.270 -7.479 1.00 0.00 C ATOM 235 CG GLN A 19 9.044 10.382 -7.298 1.00 0.00 C ATOM 236 CD GLN A 19 10.345 11.123 -7.536 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.618 12.141 -6.901 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.156 10.612 -8.455 1.00 0.00 N ATOM 0 H GLN A 19 5.828 9.286 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 19 7.148 11.442 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.379 11.068 -8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.141 12.313 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.043 9.972 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.980 9.538 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.888 9.766 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.046 11.066 -8.659 1.00 0.00 H new ATOM 247 N CYS A 20 5.067 12.705 -5.807 1.00 0.00 N ATOM 248 CA CYS A 20 3.878 13.526 -6.013 1.00 0.00 C ATOM 249 C CYS A 20 4.134 14.606 -7.064 1.00 0.00 C ATOM 250 O CYS A 20 5.272 15.020 -7.283 1.00 0.00 O ATOM 251 CB CYS A 20 3.447 14.162 -4.683 1.00 0.00 C ATOM 252 SG CYS A 20 2.668 15.801 -4.836 1.00 0.00 S ATOM 0 H CYS A 20 5.512 12.828 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 20 3.075 12.887 -6.379 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.750 13.489 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.322 14.250 -4.038 1.00 0.00 H new ATOM 257 N VAL A 21 3.058 15.064 -7.698 1.00 0.00 N ATOM 258 CA VAL A 21 3.149 16.107 -8.714 1.00 0.00 C ATOM 259 C VAL A 21 1.981 17.080 -8.595 1.00 0.00 C ATOM 260 O VAL A 21 0.960 16.767 -7.985 1.00 0.00 O ATOM 261 CB VAL A 21 3.169 15.520 -10.139 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.905 16.607 -11.172 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.498 14.831 -10.410 1.00 0.00 C ATOM 0 H VAL A 21 2.111 14.728 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 21 4.087 16.634 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 21 2.374 14.778 -10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.923 16.172 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.928 17.053 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.675 17.375 -11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.496 14.422 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.309 15.553 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.642 14.024 -9.692 1.00 0.00 H new ATOM 273 N ASN A 22 2.141 18.261 -9.182 1.00 0.00 N ATOM 274 CA ASN A 22 1.105 19.285 -9.140 1.00 0.00 C ATOM 275 C ASN A 22 0.155 19.169 -10.329 1.00 0.00 C ATOM 276 O ASN A 22 0.517 18.633 -11.377 1.00 0.00 O ATOM 277 CB ASN A 22 1.742 20.674 -9.124 1.00 0.00 C ATOM 278 CG ASN A 22 0.773 21.740 -8.662 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.183 22.454 -9.471 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.604 21.851 -7.351 1.00 0.00 N ATOM 0 H ASN A 22 2.981 18.533 -9.694 1.00 0.00 H new ATOM 0 HA ASN A 22 0.527 19.136 -8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.611 20.666 -8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.100 20.919 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.037 22.551 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.115 21.237 -6.717 1.00 0.00 H new ATOM 287 N THR A 23 -1.060 19.682 -10.157 1.00 0.00 N ATOM 288 CA THR A 23 -2.066 19.648 -11.212 1.00 0.00 C ATOM 289 C THR A 23 -3.107 20.745 -11.005 1.00 0.00 C ATOM 290 O THR A 23 -3.317 21.210 -9.885 1.00 0.00 O ATOM 291 CB THR A 23 -2.782 18.284 -11.269 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.737 18.186 -10.207 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.782 17.143 -11.165 1.00 0.00 C ATOM 0 H THR A 23 -1.372 20.127 -9.294 1.00 0.00 H new ATOM 0 HA THR A 23 -1.543 19.812 -12.154 1.00 0.00 H new ATOM 0 HB THR A 23 -3.296 18.209 -12.227 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.603 18.528 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.311 16.191 -11.208 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.075 17.203 -11.992 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.243 17.217 -10.221 1.00 0.00 H new ATOM 301 N PRO A 24 -3.775 21.170 -12.086 1.00 0.00 N ATOM 302 CA PRO A 24 -4.801 22.215 -12.023 1.00 0.00 C ATOM 303 C PRO A 24 -5.890 21.887 -11.009 1.00 0.00 C ATOM 304 O PRO A 24 -6.683 20.968 -11.211 1.00 0.00 O ATOM 305 CB PRO A 24 -5.383 22.251 -13.445 1.00 0.00 C ATOM 306 CG PRO A 24 -4.900 21.002 -14.106 1.00 0.00 C ATOM 307 CD PRO A 24 -3.591 20.667 -13.453 1.00 0.00 C ATOM 0 HA PRO A 24 -4.385 23.171 -11.703 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.472 22.287 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.046 23.136 -13.985 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.618 20.191 -13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.774 21.152 -15.178 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.394 19.595 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.753 21.152 -13.954 1.00 0.00 H new ATOM 315 N GLY A 25 -5.918 22.640 -9.913 1.00 0.00 N ATOM 316 CA GLY A 25 -6.910 22.406 -8.881 1.00 0.00 C ATOM 317 C GLY A 25 -6.842 20.996 -8.334 1.00 0.00 C ATOM 318 O GLY A 25 -7.869 20.354 -8.113 1.00 0.00 O ATOM 0 H GLY A 25 -5.272 23.406 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.761 23.117 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.905 22.589 -9.287 1.00 0.00 H new ATOM 322 N ASP A 26 -5.623 20.513 -8.121 1.00 0.00 N ATOM 323 CA ASP A 26 -5.409 19.171 -7.605 1.00 0.00 C ATOM 324 C ASP A 26 -3.939 18.784 -7.715 1.00 0.00 C ATOM 325 O ASP A 26 -3.072 19.642 -7.889 1.00 0.00 O ATOM 326 CB ASP A 26 -6.269 18.167 -8.367 1.00 0.00 C ATOM 327 CG ASP A 26 -7.208 17.400 -7.458 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.802 17.077 -6.321 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.350 17.123 -7.881 1.00 0.00 O ATOM 0 H ASP A 26 -4.766 21.036 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.697 19.158 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.850 18.693 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.622 17.464 -8.892 1.00 0.00 H new ATOM 334 N PHE A 27 -3.661 17.490 -7.614 1.00 0.00 N ATOM 335 CA PHE A 27 -2.294 16.998 -7.703 1.00 0.00 C ATOM 336 C PHE A 27 -2.269 15.496 -7.962 1.00 0.00 C ATOM 337 O PHE A 27 -3.083 14.747 -7.419 1.00 0.00 O ATOM 338 CB PHE A 27 -1.539 17.325 -6.414 1.00 0.00 C ATOM 339 CG PHE A 27 -1.724 16.303 -5.330 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.824 16.356 -4.488 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.797 15.288 -5.151 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.994 15.417 -3.489 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.963 14.347 -4.155 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.063 14.412 -3.322 1.00 0.00 C ATOM 0 H PHE A 27 -4.363 16.764 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.804 17.493 -8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.476 17.415 -6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.870 18.296 -6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.556 17.140 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.065 15.233 -5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.855 15.469 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.234 13.561 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.194 13.677 -2.541 1.00 0.00 H new ATOM 354 N GLU A 28 -1.330 15.059 -8.794 1.00 0.00 N ATOM 355 CA GLU A 28 -1.199 13.646 -9.125 1.00 0.00 C ATOM 356 C GLU A 28 -0.055 13.013 -8.343 1.00 0.00 C ATOM 357 O GLU A 28 0.263 13.446 -7.235 1.00 0.00 O ATOM 358 CB GLU A 28 -0.974 13.468 -10.628 1.00 0.00 C ATOM 359 CG GLU A 28 0.389 13.947 -11.100 1.00 0.00 C ATOM 360 CD GLU A 28 0.524 13.922 -12.611 1.00 0.00 C ATOM 361 OE1 GLU A 28 -0.106 14.769 -13.277 1.00 0.00 O ATOM 362 OE2 GLU A 28 1.260 13.055 -13.127 1.00 0.00 O ATOM 0 H GLU A 28 -0.648 15.664 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.126 13.144 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.087 12.414 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.748 14.011 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.558 14.962 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.164 13.319 -10.659 1.00 0.00 H new ATOM 369 N CYS A 29 0.564 11.984 -8.916 1.00 0.00 N ATOM 370 CA CYS A 29 1.668 11.303 -8.252 1.00 0.00 C ATOM 371 C CYS A 29 2.437 10.404 -9.212 1.00 0.00 C ATOM 372 O CYS A 29 2.079 10.268 -10.382 1.00 0.00 O ATOM 373 CB CYS A 29 1.144 10.468 -7.084 1.00 0.00 C ATOM 374 SG CYS A 29 1.971 10.805 -5.498 1.00 0.00 S ATOM 0 H CYS A 29 0.321 11.607 -9.832 1.00 0.00 H new ATOM 0 HA CYS A 29 2.350 12.069 -7.884 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.076 10.652 -6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.262 9.412 -7.325 1.00 0.00 H new ATOM 379 N LYS A 30 3.493 9.788 -8.695 1.00 0.00 N ATOM 380 CA LYS A 30 4.330 8.888 -9.480 1.00 0.00 C ATOM 381 C LYS A 30 4.844 7.748 -8.604 1.00 0.00 C ATOM 382 O LYS A 30 6.001 7.744 -8.185 1.00 0.00 O ATOM 383 CB LYS A 30 5.506 9.656 -10.084 1.00 0.00 C ATOM 384 CG LYS A 30 6.251 8.885 -11.161 1.00 0.00 C ATOM 385 CD LYS A 30 6.912 7.637 -10.598 1.00 0.00 C ATOM 386 CE LYS A 30 7.886 7.026 -11.592 1.00 0.00 C ATOM 387 NZ LYS A 30 7.185 6.254 -12.654 1.00 0.00 N ATOM 0 H LYS A 30 3.792 9.897 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 30 3.731 8.468 -10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.139 10.591 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.204 9.918 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.558 8.604 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.008 9.527 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.439 7.887 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.148 6.904 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.480 7.816 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.579 6.371 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.885 5.854 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.638 5.484 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.542 6.884 -13.174 1.00 0.00 H new ATOM 401 N CYS A 31 3.966 6.792 -8.321 1.00 0.00 N ATOM 402 CA CYS A 31 4.311 5.648 -7.482 1.00 0.00 C ATOM 403 C CYS A 31 5.667 5.060 -7.860 1.00 0.00 C ATOM 404 O CYS A 31 6.318 5.519 -8.799 1.00 0.00 O ATOM 405 CB CYS A 31 3.231 4.570 -7.583 1.00 0.00 C ATOM 406 SG CYS A 31 1.530 5.220 -7.549 1.00 0.00 S ATOM 0 H CYS A 31 3.005 6.786 -8.662 1.00 0.00 H new ATOM 0 HA CYS A 31 4.373 6.003 -6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.377 4.010 -8.507 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.357 3.866 -6.760 1.00 0.00 H new ATOM 411 N ASP A 32 6.086 4.041 -7.114 1.00 0.00 N ATOM 412 CA ASP A 32 7.365 3.384 -7.357 1.00 0.00 C ATOM 413 C ASP A 32 7.200 2.167 -8.260 1.00 0.00 C ATOM 414 O ASP A 32 7.578 2.195 -9.432 1.00 0.00 O ATOM 415 CB ASP A 32 8.005 2.968 -6.029 1.00 0.00 C ATOM 416 CG ASP A 32 9.490 2.695 -6.163 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.106 3.221 -7.115 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.038 1.958 -5.318 1.00 0.00 O ATOM 0 H ASP A 32 5.556 3.652 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 32 8.017 4.096 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.848 3.755 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.507 2.075 -5.653 1.00 0.00 H new ATOM 423 N GLU A 33 6.639 1.098 -7.709 1.00 0.00 N ATOM 424 CA GLU A 33 6.430 -0.133 -8.464 1.00 0.00 C ATOM 425 C GLU A 33 5.010 -0.656 -8.281 1.00 0.00 C ATOM 426 O GLU A 33 4.177 -0.550 -9.181 1.00 0.00 O ATOM 427 CB GLU A 33 7.438 -1.199 -8.031 1.00 0.00 C ATOM 428 CG GLU A 33 8.883 -0.818 -8.312 1.00 0.00 C ATOM 429 CD GLU A 33 9.661 -1.936 -8.980 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.530 -2.097 -10.211 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.400 -2.650 -8.271 1.00 0.00 O ATOM 0 H GLU A 33 6.320 1.058 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 33 6.578 0.092 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.321 -1.386 -6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.210 -2.133 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.905 0.066 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.372 -0.548 -7.376 1.00 0.00 H new ATOM 438 N GLY A 34 4.742 -1.221 -7.111 1.00 0.00 N ATOM 439 CA GLY A 34 3.424 -1.752 -6.829 1.00 0.00 C ATOM 440 C GLY A 34 2.603 -0.815 -5.971 1.00 0.00 C ATOM 441 O GLY A 34 1.454 -1.104 -5.647 1.00 0.00 O ATOM 0 H GLY A 34 5.415 -1.321 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.900 -1.936 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.522 -2.713 -6.324 1.00 0.00 H new ATOM 445 N TYR A 35 3.194 0.313 -5.603 1.00 0.00 N ATOM 446 CA TYR A 35 2.512 1.293 -4.778 1.00 0.00 C ATOM 447 C TYR A 35 1.414 1.995 -5.568 1.00 0.00 C ATOM 448 O TYR A 35 1.683 2.662 -6.567 1.00 0.00 O ATOM 449 CB TYR A 35 3.519 2.314 -4.239 1.00 0.00 C ATOM 450 CG TYR A 35 4.471 1.749 -3.205 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.122 0.536 -3.411 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.722 2.429 -2.020 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.990 0.022 -2.468 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.590 1.921 -1.073 1.00 0.00 C ATOM 455 CZ TYR A 35 6.220 0.718 -1.301 1.00 0.00 C ATOM 456 OH TYR A 35 7.087 0.210 -0.360 1.00 0.00 O ATOM 0 H TYR A 35 4.146 0.570 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 35 2.047 0.777 -3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.098 2.714 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.975 3.150 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.945 -0.013 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.229 3.372 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.486 -0.921 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.774 2.465 -0.158 1.00 0.00 H new ATOM 0 HH TYR A 35 7.138 0.823 0.403 1.00 0.00 H new ATOM 466 N GLU A 36 0.173 1.842 -5.120 1.00 0.00 N ATOM 467 CA GLU A 36 -0.958 2.465 -5.791 1.00 0.00 C ATOM 468 C GLU A 36 -1.218 3.854 -5.217 1.00 0.00 C ATOM 469 O GLU A 36 -1.093 4.071 -4.013 1.00 0.00 O ATOM 470 CB GLU A 36 -2.199 1.575 -5.676 1.00 0.00 C ATOM 471 CG GLU A 36 -3.520 2.331 -5.636 1.00 0.00 C ATOM 472 CD GLU A 36 -3.978 2.779 -7.010 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.110 3.017 -7.876 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.203 2.890 -7.220 1.00 0.00 O ATOM 0 H GLU A 36 -0.073 1.293 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.722 2.579 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.215 0.886 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.114 0.971 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.285 1.694 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.416 3.203 -4.990 1.00 0.00 H new ATOM 481 N SER A 37 -1.562 4.788 -6.096 1.00 0.00 N ATOM 482 CA SER A 37 -1.826 6.171 -5.712 1.00 0.00 C ATOM 483 C SER A 37 -2.711 6.265 -4.475 1.00 0.00 C ATOM 484 O SER A 37 -3.919 6.479 -4.576 1.00 0.00 O ATOM 485 CB SER A 37 -2.478 6.925 -6.871 1.00 0.00 C ATOM 486 OG SER A 37 -3.874 6.684 -6.915 1.00 0.00 O ATOM 0 H SER A 37 -1.666 4.609 -7.095 1.00 0.00 H new ATOM 0 HA SER A 37 -0.866 6.627 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.294 7.994 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.023 6.616 -7.812 1.00 0.00 H new ATOM 0 HG SER A 37 -4.270 6.892 -6.043 1.00 0.00 H new ATOM 492 N GLY A 38 -2.096 6.127 -3.307 1.00 0.00 N ATOM 493 CA GLY A 38 -2.829 6.221 -2.065 1.00 0.00 C ATOM 494 C GLY A 38 -3.525 4.937 -1.688 1.00 0.00 C ATOM 495 O GLY A 38 -4.009 4.788 -0.566 1.00 0.00 O ATOM 0 H GLY A 38 -1.097 5.951 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.143 6.503 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.569 7.017 -2.146 1.00 0.00 H new ATOM 499 N PHE A 39 -3.583 4.012 -2.630 1.00 0.00 N ATOM 500 CA PHE A 39 -4.235 2.738 -2.398 1.00 0.00 C ATOM 501 C PHE A 39 -5.757 2.913 -2.344 1.00 0.00 C ATOM 502 O PHE A 39 -6.479 1.955 -2.079 1.00 0.00 O ATOM 503 CB PHE A 39 -3.700 2.105 -1.104 1.00 0.00 C ATOM 504 CG PHE A 39 -4.757 1.512 -0.209 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.538 2.328 0.593 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.968 0.144 -0.175 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.510 1.790 1.415 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.939 -0.401 0.645 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.710 0.424 1.441 1.00 0.00 C ATOM 0 H PHE A 39 -3.186 4.121 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.010 2.067 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.985 1.325 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.153 2.863 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.386 3.397 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.368 -0.505 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.112 2.437 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.094 -1.470 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.468 0.001 2.083 1.00 0.00 H new ATOM 519 N MET A 40 -6.214 4.151 -2.599 1.00 0.00 N ATOM 520 CA MET A 40 -7.636 4.512 -2.595 1.00 0.00 C ATOM 521 C MET A 40 -7.980 5.362 -1.376 1.00 0.00 C ATOM 522 O MET A 40 -8.972 6.092 -1.377 1.00 0.00 O ATOM 523 CB MET A 40 -8.536 3.280 -2.623 1.00 0.00 C ATOM 524 CG MET A 40 -8.756 2.674 -1.251 1.00 0.00 C ATOM 525 SD MET A 40 -10.400 3.014 -0.592 1.00 0.00 S ATOM 526 CE MET A 40 -10.819 1.420 0.113 1.00 0.00 C ATOM 0 H MET A 40 -5.598 4.935 -2.815 1.00 0.00 H new ATOM 0 HA MET A 40 -7.815 5.090 -3.502 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.500 3.551 -3.053 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.095 2.530 -3.279 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.608 1.596 -1.307 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.006 3.063 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.812 1.470 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 40 -10.812 0.662 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.089 1.157 0.878 1.00 0.00 H new ATOM 536 N MET A 41 -7.161 5.258 -0.339 1.00 0.00 N ATOM 537 CA MET A 41 -7.383 6.011 0.890 1.00 0.00 C ATOM 538 C MET A 41 -7.209 7.510 0.661 1.00 0.00 C ATOM 539 O MET A 41 -7.884 8.322 1.293 1.00 0.00 O ATOM 540 CB MET A 41 -6.424 5.537 1.981 1.00 0.00 C ATOM 541 CG MET A 41 -5.023 6.111 1.851 1.00 0.00 C ATOM 542 SD MET A 41 -3.776 5.078 2.645 1.00 0.00 S ATOM 543 CE MET A 41 -3.336 6.096 4.051 1.00 0.00 C ATOM 0 H MET A 41 -6.335 4.659 -0.323 1.00 0.00 H new ATOM 0 HA MET A 41 -8.410 5.832 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.831 5.811 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.366 4.449 1.954 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.777 6.225 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.000 7.107 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.572 5.590 4.641 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.950 7.053 3.701 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.218 6.265 4.668 1.00 0.00 H new ATOM 553 N MET A 42 -6.305 7.869 -0.244 1.00 0.00 N ATOM 554 CA MET A 42 -6.044 9.272 -0.550 1.00 0.00 C ATOM 555 C MET A 42 -5.318 9.400 -1.880 1.00 0.00 C ATOM 556 O MET A 42 -5.910 9.776 -2.893 1.00 0.00 O ATOM 557 CB MET A 42 -5.203 9.913 0.558 1.00 0.00 C ATOM 558 CG MET A 42 -5.922 10.021 1.893 1.00 0.00 C ATOM 559 SD MET A 42 -7.445 10.980 1.785 1.00 0.00 S ATOM 560 CE MET A 42 -8.287 10.445 3.273 1.00 0.00 C ATOM 0 H MET A 42 -5.741 7.209 -0.779 1.00 0.00 H new ATOM 0 HA MET A 42 -7.001 9.790 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.292 9.329 0.693 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.898 10.910 0.239 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.152 9.021 2.259 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.257 10.483 2.623 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.091 9.758 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.579 9.940 3.930 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.704 11.311 3.787 1.00 0.00 H new ATOM 570 N LYS A 43 -4.034 9.073 -1.869 1.00 0.00 N ATOM 571 CA LYS A 43 -3.220 9.135 -3.076 1.00 0.00 C ATOM 572 C LYS A 43 -1.773 8.712 -2.815 1.00 0.00 C ATOM 573 O LYS A 43 -1.078 8.279 -3.735 1.00 0.00 O ATOM 574 CB LYS A 43 -3.247 10.541 -3.665 1.00 0.00 C ATOM 575 CG LYS A 43 -2.460 10.655 -4.956 1.00 0.00 C ATOM 576 CD LYS A 43 -3.309 10.285 -6.161 1.00 0.00 C ATOM 577 CE LYS A 43 -2.574 10.551 -7.464 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.471 11.134 -8.499 1.00 0.00 N ATOM 0 H LYS A 43 -3.532 8.762 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.650 8.432 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.281 10.833 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.843 11.243 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.091 11.674 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.588 10.003 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.582 9.231 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.237 10.856 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.743 11.231 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.147 9.620 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.944 11.253 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.278 10.497 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.818 12.059 -8.176 1.00 0.00 H new ATOM 592 N ASN A 44 -1.315 8.839 -1.572 1.00 0.00 N ATOM 593 CA ASN A 44 0.048 8.463 -1.227 1.00 0.00 C ATOM 594 C ASN A 44 0.404 7.107 -1.823 1.00 0.00 C ATOM 595 O ASN A 44 0.201 6.070 -1.193 1.00 0.00 O ATOM 596 CB ASN A 44 0.230 8.425 0.294 1.00 0.00 C ATOM 597 CG ASN A 44 -0.968 7.838 1.018 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.576 8.494 1.864 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.317 6.596 0.694 1.00 0.00 N ATOM 0 H ASN A 44 -1.867 9.198 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 44 0.717 9.215 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.117 7.838 0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.409 9.436 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.114 6.154 1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.787 6.085 -0.013 1.00 0.00 H new ATOM 606 N CYS A 45 0.940 7.123 -3.041 1.00 0.00 N ATOM 607 CA CYS A 45 1.327 5.892 -3.716 1.00 0.00 C ATOM 608 C CYS A 45 1.880 4.888 -2.713 1.00 0.00 C ATOM 609 O CYS A 45 3.013 5.017 -2.251 1.00 0.00 O ATOM 610 CB CYS A 45 2.367 6.184 -4.799 1.00 0.00 C ATOM 611 SG CYS A 45 1.663 6.846 -6.343 1.00 0.00 S ATOM 0 H CYS A 45 1.115 7.973 -3.577 1.00 0.00 H new ATOM 0 HA CYS A 45 0.443 5.463 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.093 6.897 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.910 5.266 -5.024 1.00 0.00 H new ATOM 616 N MET A 46 1.067 3.893 -2.371 1.00 0.00 N ATOM 617 CA MET A 46 1.468 2.872 -1.412 1.00 0.00 C ATOM 618 C MET A 46 1.159 1.474 -1.935 1.00 0.00 C ATOM 619 O MET A 46 0.080 1.233 -2.479 1.00 0.00 O ATOM 620 CB MET A 46 0.758 3.096 -0.077 1.00 0.00 C ATOM 621 CG MET A 46 -0.747 3.263 -0.206 1.00 0.00 C ATOM 622 SD MET A 46 -1.586 3.201 1.387 1.00 0.00 S ATOM 623 CE MET A 46 -0.367 3.983 2.440 1.00 0.00 C ATOM 0 H MET A 46 0.126 3.773 -2.745 1.00 0.00 H new ATOM 0 HA MET A 46 2.545 2.952 -1.266 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.966 2.252 0.581 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.173 3.983 0.401 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.964 4.215 -0.690 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.142 2.479 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.848 4.341 3.350 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.407 3.261 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.083 4.824 1.913 1.00 0.00 H new ATOM 633 N ASP A 47 2.123 0.563 -1.772 1.00 0.00 N ATOM 634 CA ASP A 47 1.991 -0.819 -2.223 1.00 0.00 C ATOM 635 C ASP A 47 0.534 -1.232 -2.372 1.00 0.00 C ATOM 636 O ASP A 47 -0.232 -1.239 -1.407 1.00 0.00 O ATOM 637 CB ASP A 47 2.704 -1.764 -1.256 1.00 0.00 C ATOM 638 CG ASP A 47 1.853 -2.109 -0.049 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.163 -1.206 0.467 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.878 -3.282 0.379 1.00 0.00 O ATOM 0 H ASP A 47 3.016 0.766 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 47 2.458 -0.886 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.973 -2.681 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.634 -1.303 -0.922 1.00 0.00 H new ATOM 645 N ILE A 48 0.169 -1.574 -3.596 1.00 0.00 N ATOM 646 CA ILE A 48 -1.184 -1.995 -3.919 1.00 0.00 C ATOM 647 C ILE A 48 -1.599 -3.214 -3.103 1.00 0.00 C ATOM 648 O ILE A 48 -0.894 -3.630 -2.183 1.00 0.00 O ATOM 649 CB ILE A 48 -1.285 -2.351 -5.408 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.279 -3.454 -5.734 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.037 -1.124 -6.270 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.694 -4.320 -6.898 1.00 0.00 C ATOM 0 H ILE A 48 0.803 -1.568 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.848 -1.164 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.291 -2.711 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.687 -3.000 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.142 -4.082 -4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.113 -1.397 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.780 -0.361 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.040 -0.733 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.066 -5.082 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.645 -4.802 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.803 -3.703 -7.790 1.00 0.00 H new ATOM 664 N ASP A 49 -2.743 -3.789 -3.461 1.00 0.00 N ATOM 665 CA ASP A 49 -3.252 -4.971 -2.779 1.00 0.00 C ATOM 666 C ASP A 49 -2.891 -6.232 -3.557 1.00 0.00 C ATOM 667 O ASP A 49 -3.753 -6.860 -4.170 1.00 0.00 O ATOM 668 CB ASP A 49 -4.770 -4.883 -2.616 1.00 0.00 C ATOM 669 CG ASP A 49 -5.335 -6.065 -1.854 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.642 -7.100 -1.766 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.470 -5.955 -1.345 1.00 0.00 O ATOM 0 H ASP A 49 -3.335 -3.454 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.792 -5.019 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.024 -3.961 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.237 -4.831 -3.600 1.00 0.00 H new ATOM 676 N GLU A 50 -1.612 -6.598 -3.532 1.00 0.00 N ATOM 677 CA GLU A 50 -1.145 -7.783 -4.236 1.00 0.00 C ATOM 678 C GLU A 50 -2.003 -8.993 -3.887 1.00 0.00 C ATOM 679 O GLU A 50 -2.051 -9.972 -4.633 1.00 0.00 O ATOM 680 CB GLU A 50 0.314 -8.068 -3.885 1.00 0.00 C ATOM 681 CG GLU A 50 1.307 -7.231 -4.674 1.00 0.00 C ATOM 682 CD GLU A 50 1.927 -6.125 -3.842 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.730 -6.442 -2.938 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.611 -4.944 -4.093 1.00 0.00 O ATOM 0 H GLU A 50 -0.883 -6.090 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.226 -7.594 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.464 -7.887 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.521 -9.124 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.096 -7.877 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.804 -6.794 -5.536 1.00 0.00 H new ATOM 691 N CYS A 51 -2.682 -8.917 -2.750 1.00 0.00 N ATOM 692 CA CYS A 51 -3.544 -10.003 -2.298 1.00 0.00 C ATOM 693 C CYS A 51 -4.862 -9.998 -3.065 1.00 0.00 C ATOM 694 O CYS A 51 -5.655 -10.935 -2.967 1.00 0.00 O ATOM 695 CB CYS A 51 -3.814 -9.875 -0.797 1.00 0.00 C ATOM 696 SG CYS A 51 -5.156 -10.946 -0.187 1.00 0.00 S ATOM 0 H CYS A 51 -2.653 -8.114 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.034 -10.947 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.900 -10.112 -0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.060 -8.838 -0.570 1.00 0.00 H new ATOM 701 N GLN A 52 -5.088 -8.934 -3.826 1.00 0.00 N ATOM 702 CA GLN A 52 -6.305 -8.794 -4.612 1.00 0.00 C ATOM 703 C GLN A 52 -5.985 -8.733 -6.101 1.00 0.00 C ATOM 704 O GLN A 52 -6.836 -9.020 -6.943 1.00 0.00 O ATOM 705 CB GLN A 52 -7.053 -7.531 -4.186 1.00 0.00 C ATOM 706 CG GLN A 52 -8.063 -7.770 -3.079 1.00 0.00 C ATOM 707 CD GLN A 52 -9.290 -6.888 -3.208 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.738 -6.585 -4.314 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.839 -6.468 -2.074 1.00 0.00 N ATOM 0 H GLN A 52 -4.439 -8.152 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.935 -9.665 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.331 -6.785 -3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.567 -7.113 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.369 -8.816 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.589 -7.588 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.435 -6.743 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.665 -5.870 -2.098 1.00 0.00 H new ATOM 718 N ARG A 53 -4.752 -8.354 -6.416 1.00 0.00 N ATOM 719 CA ARG A 53 -4.311 -8.249 -7.802 1.00 0.00 C ATOM 720 C ARG A 53 -4.502 -9.569 -8.540 1.00 0.00 C ATOM 721 O ARG A 53 -4.614 -9.595 -9.765 1.00 0.00 O ATOM 722 CB ARG A 53 -2.840 -7.829 -7.857 1.00 0.00 C ATOM 723 CG ARG A 53 -2.235 -7.915 -9.248 1.00 0.00 C ATOM 724 CD ARG A 53 -1.259 -9.075 -9.356 1.00 0.00 C ATOM 725 NE ARG A 53 -1.089 -9.520 -10.736 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.198 -8.997 -11.574 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.597 -8.014 -11.172 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.102 -9.457 -12.814 1.00 0.00 N ATOM 0 H ARG A 53 -4.038 -8.114 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.920 -7.491 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.749 -6.806 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.265 -8.461 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.029 -8.035 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.722 -6.982 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.293 -8.775 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.616 -9.907 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.686 -10.273 -11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.526 -7.658 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.280 -7.614 -11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.712 -10.213 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.582 -9.055 -13.456 1.00 0.00 H new ATOM 742 N ASP A 54 -4.535 -10.664 -7.788 1.00 0.00 N ATOM 743 CA ASP A 54 -4.709 -11.987 -8.375 1.00 0.00 C ATOM 744 C ASP A 54 -5.871 -12.726 -7.720 1.00 0.00 C ATOM 745 O ASP A 54 -6.038 -12.692 -6.501 1.00 0.00 O ATOM 746 CB ASP A 54 -3.424 -12.804 -8.233 1.00 0.00 C ATOM 747 CG ASP A 54 -2.577 -12.773 -9.490 1.00 0.00 C ATOM 748 OD1 ASP A 54 -1.992 -11.710 -9.785 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.500 -13.812 -10.179 1.00 0.00 O ATOM 0 H ASP A 54 -4.444 -10.661 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.935 -11.860 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.842 -12.418 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.678 -13.837 -7.995 1.00 0.00 H new ATOM 754 N PRO A 55 -6.688 -13.412 -8.533 1.00 0.00 N ATOM 755 CA PRO A 55 -7.838 -14.171 -8.048 1.00 0.00 C ATOM 756 C PRO A 55 -7.432 -15.536 -7.507 1.00 0.00 C ATOM 757 O PRO A 55 -8.243 -16.253 -6.920 1.00 0.00 O ATOM 758 CB PRO A 55 -8.696 -14.323 -9.301 1.00 0.00 C ATOM 759 CG PRO A 55 -7.717 -14.345 -10.426 1.00 0.00 C ATOM 760 CD PRO A 55 -6.544 -13.500 -9.996 1.00 0.00 C ATOM 0 HA PRO A 55 -8.348 -13.677 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.285 -15.240 -9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.399 -13.496 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.400 -15.365 -10.643 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.166 -13.949 -11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.596 -13.959 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.570 -12.514 -10.460 1.00 0.00 H new ATOM 768 N LEU A 56 -6.165 -15.884 -7.705 1.00 0.00 N ATOM 769 CA LEU A 56 -5.634 -17.156 -7.237 1.00 0.00 C ATOM 770 C LEU A 56 -4.560 -16.932 -6.179 1.00 0.00 C ATOM 771 O LEU A 56 -4.085 -17.879 -5.551 1.00 0.00 O ATOM 772 CB LEU A 56 -5.059 -17.954 -8.407 1.00 0.00 C ATOM 773 CG LEU A 56 -5.914 -19.134 -8.869 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.468 -20.416 -8.185 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.388 -18.868 -8.598 1.00 0.00 C ATOM 0 H LEU A 56 -5.485 -15.298 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.450 -17.724 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.913 -17.279 -9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.075 -18.327 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.780 -19.253 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.088 -21.245 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.426 -20.617 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.570 -20.307 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.979 -19.720 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.540 -18.720 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.701 -17.974 -9.137 1.00 0.00 H new ATOM 787 N LEU A 57 -4.179 -15.673 -5.987 1.00 0.00 N ATOM 788 CA LEU A 57 -3.162 -15.328 -5.003 1.00 0.00 C ATOM 789 C LEU A 57 -3.506 -15.924 -3.647 1.00 0.00 C ATOM 790 O LEU A 57 -4.508 -15.556 -3.033 1.00 0.00 O ATOM 791 CB LEU A 57 -3.024 -13.810 -4.892 1.00 0.00 C ATOM 792 CG LEU A 57 -1.631 -13.317 -4.503 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.160 -12.236 -5.463 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.630 -12.802 -3.072 1.00 0.00 C ATOM 0 H LEU A 57 -4.559 -14.877 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.210 -15.744 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.297 -13.364 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.741 -13.448 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.937 -14.156 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.166 -11.897 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.122 -12.639 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.853 -11.396 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.630 -12.455 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.336 -11.976 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.923 -13.605 -2.396 1.00 0.00 H new ATOM 806 N CYS A 58 -2.675 -16.851 -3.184 1.00 0.00 N ATOM 807 CA CYS A 58 -2.908 -17.498 -1.903 1.00 0.00 C ATOM 808 C CYS A 58 -4.322 -18.059 -1.854 1.00 0.00 C ATOM 809 O CYS A 58 -4.883 -18.283 -0.781 1.00 0.00 O ATOM 810 CB CYS A 58 -2.679 -16.504 -0.764 1.00 0.00 C ATOM 811 SG CYS A 58 -1.048 -15.699 -0.826 1.00 0.00 S ATOM 0 H CYS A 58 -1.839 -17.168 -3.675 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.205 -18.323 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.455 -15.739 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.784 -17.023 0.189 1.00 0.00 H new ATOM 816 N ARG A 59 -4.884 -18.285 -3.037 1.00 0.00 N ATOM 817 CA ARG A 59 -6.232 -18.824 -3.162 1.00 0.00 C ATOM 818 C ARG A 59 -6.477 -19.912 -2.124 1.00 0.00 C ATOM 819 O ARG A 59 -7.601 -20.108 -1.664 1.00 0.00 O ATOM 820 CB ARG A 59 -6.442 -19.381 -4.572 1.00 0.00 C ATOM 821 CG ARG A 59 -7.904 -19.544 -4.954 1.00 0.00 C ATOM 822 CD ARG A 59 -8.186 -20.936 -5.498 1.00 0.00 C ATOM 823 NE ARG A 59 -9.617 -21.189 -5.636 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.151 -22.406 -5.657 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.373 -23.475 -5.548 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.462 -22.556 -5.786 1.00 0.00 N ATOM 0 H ARG A 59 -4.422 -18.101 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.945 -18.019 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.960 -18.718 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.946 -20.349 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.532 -19.359 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.171 -18.798 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.702 -21.051 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.749 -21.681 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.242 -20.387 -5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.364 -23.363 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.784 -24.408 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.063 -21.736 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.869 -23.491 -5.802 1.00 0.00 H new ATOM 840 N GLY A 60 -5.410 -20.611 -1.754 1.00 0.00 N ATOM 841 CA GLY A 60 -5.516 -21.667 -0.766 1.00 0.00 C ATOM 842 C GLY A 60 -4.483 -21.522 0.334 1.00 0.00 C ATOM 843 O GLY A 60 -4.142 -22.492 1.010 1.00 0.00 O ATOM 0 H GLY A 60 -4.470 -20.464 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.515 -21.656 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.392 -22.634 -1.254 1.00 0.00 H new ATOM 847 N GLY A 61 -3.983 -20.302 0.507 1.00 0.00 N ATOM 848 CA GLY A 61 -2.983 -20.045 1.525 1.00 0.00 C ATOM 849 C GLY A 61 -3.225 -18.739 2.259 1.00 0.00 C ATOM 850 O GLY A 61 -4.338 -18.469 2.709 1.00 0.00 O ATOM 0 H GLY A 61 -4.254 -19.486 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.979 -20.866 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.996 -20.021 1.063 1.00 0.00 H new ATOM 854 N VAL A 62 -2.178 -17.926 2.379 1.00 0.00 N ATOM 855 CA VAL A 62 -2.278 -16.642 3.061 1.00 0.00 C ATOM 856 C VAL A 62 -1.577 -15.551 2.262 1.00 0.00 C ATOM 857 O VAL A 62 -0.424 -15.709 1.856 1.00 0.00 O ATOM 858 CB VAL A 62 -1.665 -16.707 4.474 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.466 -15.309 5.042 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.536 -17.546 5.395 1.00 0.00 C ATOM 0 H VAL A 62 -1.250 -18.136 2.011 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.338 -16.405 3.148 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.687 -17.183 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.032 -15.380 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.795 -14.745 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.428 -14.799 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.088 -17.581 6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.529 -17.102 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.616 -18.558 4.998 1.00 0.00 H new ATOM 870 N CYS A 63 -2.275 -14.445 2.040 1.00 0.00 N ATOM 871 CA CYS A 63 -1.714 -13.331 1.289 1.00 0.00 C ATOM 872 C CYS A 63 -1.174 -12.259 2.229 1.00 0.00 C ATOM 873 O CYS A 63 -1.918 -11.399 2.702 1.00 0.00 O ATOM 874 CB CYS A 63 -2.769 -12.733 0.358 1.00 0.00 C ATOM 875 SG CYS A 63 -4.249 -12.104 1.214 1.00 0.00 S ATOM 0 H CYS A 63 -3.229 -14.296 2.369 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.886 -13.709 0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.318 -11.919 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.074 -13.492 -0.362 1.00 0.00 H new ATOM 880 N HIS A 64 0.127 -12.316 2.492 1.00 0.00 N ATOM 881 CA HIS A 64 0.773 -11.348 3.372 1.00 0.00 C ATOM 882 C HIS A 64 1.252 -10.138 2.581 1.00 0.00 C ATOM 883 O HIS A 64 2.444 -9.836 2.546 1.00 0.00 O ATOM 884 CB HIS A 64 1.956 -11.989 4.099 1.00 0.00 C ATOM 885 CG HIS A 64 1.586 -13.198 4.899 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.073 -14.458 4.624 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.774 -13.337 5.974 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.577 -15.318 5.494 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.787 -14.664 6.323 1.00 0.00 N ATOM 0 H HIS A 64 0.755 -13.022 2.109 1.00 0.00 H new ATOM 0 HA HIS A 64 0.039 -11.020 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.714 -12.267 3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.408 -11.250 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.220 -12.551 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.783 -16.378 5.522 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.269 -15.078 7.098 1.00 0.00 H new ATOM 898 N ASN A 65 0.311 -9.453 1.943 1.00 0.00 N ATOM 899 CA ASN A 65 0.624 -8.274 1.144 1.00 0.00 C ATOM 900 C ASN A 65 1.629 -7.374 1.856 1.00 0.00 C ATOM 901 O ASN A 65 1.346 -6.833 2.925 1.00 0.00 O ATOM 902 CB ASN A 65 -0.652 -7.489 0.843 1.00 0.00 C ATOM 903 CG ASN A 65 -0.364 -6.112 0.277 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.414 -5.345 0.844 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.992 -5.793 -0.846 1.00 0.00 N ATOM 0 H ASN A 65 -0.680 -9.695 1.964 1.00 0.00 H new ATOM 0 HA ASN A 65 1.071 -8.612 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.262 -8.050 0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.237 -7.388 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.839 -4.880 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.629 -6.460 -1.282 1.00 0.00 H new ATOM 912 N THR A 66 2.798 -7.210 1.248 1.00 0.00 N ATOM 913 CA THR A 66 3.847 -6.368 1.811 1.00 0.00 C ATOM 914 C THR A 66 4.159 -5.201 0.879 1.00 0.00 C ATOM 915 O THR A 66 3.550 -5.062 -0.181 1.00 0.00 O ATOM 916 CB THR A 66 5.142 -7.168 2.081 1.00 0.00 C ATOM 917 OG1 THR A 66 6.276 -6.466 1.560 1.00 0.00 O ATOM 918 CG2 THR A 66 5.074 -8.556 1.457 1.00 0.00 C ATOM 0 H THR A 66 3.044 -7.651 0.362 1.00 0.00 H new ATOM 0 HA THR A 66 3.474 -5.987 2.761 1.00 0.00 H new ATOM 0 HB THR A 66 5.245 -7.278 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.090 -6.982 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.999 -9.094 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.233 -9.105 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.941 -8.464 0.379 1.00 0.00 H new ATOM 926 N GLU A 67 5.108 -4.362 1.280 1.00 0.00 N ATOM 927 CA GLU A 67 5.495 -3.209 0.476 1.00 0.00 C ATOM 928 C GLU A 67 6.115 -3.648 -0.848 1.00 0.00 C ATOM 929 O GLU A 67 6.946 -4.555 -0.885 1.00 0.00 O ATOM 930 CB GLU A 67 6.479 -2.328 1.250 1.00 0.00 C ATOM 931 CG GLU A 67 7.930 -2.753 1.094 1.00 0.00 C ATOM 932 CD GLU A 67 8.850 -2.060 2.079 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.345 -1.530 3.092 1.00 0.00 O ATOM 934 OE2 GLU A 67 10.075 -2.046 1.838 1.00 0.00 O ATOM 0 H GLU A 67 5.622 -4.459 2.155 1.00 0.00 H new ATOM 0 HA GLU A 67 4.596 -2.632 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.373 -1.297 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.216 -2.346 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.005 -3.832 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.261 -2.536 0.079 1.00 0.00 H new ATOM 941 N GLY A 68 5.705 -2.998 -1.933 1.00 0.00 N ATOM 942 CA GLY A 68 6.231 -3.334 -3.243 1.00 0.00 C ATOM 943 C GLY A 68 6.464 -4.823 -3.413 1.00 0.00 C ATOM 944 O GLY A 68 7.378 -5.238 -4.125 1.00 0.00 O ATOM 0 H GLY A 68 5.018 -2.244 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.536 -2.989 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.170 -2.803 -3.401 1.00 0.00 H new ATOM 948 N SER A 69 5.635 -5.626 -2.756 1.00 0.00 N ATOM 949 CA SER A 69 5.752 -7.078 -2.834 1.00 0.00 C ATOM 950 C SER A 69 4.796 -7.750 -1.855 1.00 0.00 C ATOM 951 O SER A 69 4.355 -7.134 -0.885 1.00 0.00 O ATOM 952 CB SER A 69 7.189 -7.512 -2.540 1.00 0.00 C ATOM 953 OG SER A 69 7.601 -8.544 -3.419 1.00 0.00 O ATOM 0 H SER A 69 4.874 -5.296 -2.163 1.00 0.00 H new ATOM 0 HA SER A 69 5.488 -7.386 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.858 -6.657 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.264 -7.857 -1.509 1.00 0.00 H new ATOM 0 HG SER A 69 8.523 -8.802 -3.211 1.00 0.00 H new ATOM 959 N TYR A 70 4.478 -9.013 -2.112 1.00 0.00 N ATOM 960 CA TYR A 70 3.572 -9.759 -1.247 1.00 0.00 C ATOM 961 C TYR A 70 4.091 -11.167 -0.990 1.00 0.00 C ATOM 962 O TYR A 70 4.742 -11.767 -1.845 1.00 0.00 O ATOM 963 CB TYR A 70 2.172 -9.809 -1.859 1.00 0.00 C ATOM 964 CG TYR A 70 1.967 -10.943 -2.836 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.556 -12.196 -2.400 1.00 0.00 C ATOM 966 CD2 TYR A 70 2.175 -10.756 -4.195 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.362 -13.233 -3.294 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.982 -11.786 -5.095 1.00 0.00 C ATOM 969 CZ TYR A 70 1.576 -13.022 -4.640 1.00 0.00 C ATOM 970 OH TYR A 70 1.383 -14.051 -5.533 1.00 0.00 O ATOM 0 H TYR A 70 4.833 -9.541 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 70 3.518 -9.241 -0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.439 -9.898 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.975 -8.865 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.385 -12.363 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.493 -9.789 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.045 -14.203 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.148 -11.624 -6.150 1.00 0.00 H new ATOM 0 HH TYR A 70 1.102 -13.685 -6.398 1.00 0.00 H new ATOM 980 N ARG A 71 3.805 -11.684 0.200 1.00 0.00 N ATOM 981 CA ARG A 71 4.251 -13.020 0.578 1.00 0.00 C ATOM 982 C ARG A 71 3.078 -13.985 0.688 1.00 0.00 C ATOM 983 O ARG A 71 2.177 -13.792 1.505 1.00 0.00 O ATOM 984 CB ARG A 71 5.006 -12.982 1.909 1.00 0.00 C ATOM 985 CG ARG A 71 5.484 -11.597 2.310 1.00 0.00 C ATOM 986 CD ARG A 71 6.827 -11.270 1.676 1.00 0.00 C ATOM 987 NE ARG A 71 7.787 -10.772 2.657 1.00 0.00 N ATOM 988 CZ ARG A 71 8.545 -11.561 3.410 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.455 -12.879 3.294 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.396 -11.034 4.281 1.00 0.00 N ATOM 0 H ARG A 71 3.267 -11.199 0.918 1.00 0.00 H new ATOM 0 HA ARG A 71 4.921 -13.373 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.358 -13.373 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.867 -13.648 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.746 -10.854 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.568 -11.539 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.229 -12.163 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.687 -10.524 0.894 1.00 0.00 H new ATOM 0 HE ARG A 71 7.881 -9.763 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.803 -13.289 2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.038 -13.483 3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.469 -10.021 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.977 -11.642 4.858 1.00 0.00 H new ATOM 1004 N CYS A 72 3.102 -15.032 -0.128 1.00 0.00 N ATOM 1005 CA CYS A 72 2.049 -16.035 -0.111 1.00 0.00 C ATOM 1006 C CYS A 72 2.427 -17.168 0.840 1.00 0.00 C ATOM 1007 O CYS A 72 3.597 -17.534 0.945 1.00 0.00 O ATOM 1008 CB CYS A 72 1.806 -16.563 -1.527 1.00 0.00 C ATOM 1009 SG CYS A 72 0.075 -17.009 -1.897 1.00 0.00 S ATOM 0 H CYS A 72 3.840 -15.207 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 72 1.124 -15.583 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.131 -15.807 -2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.433 -17.441 -1.684 1.00 0.00 H new ATOM 1014 N GLU A 73 1.439 -17.698 1.554 1.00 0.00 N ATOM 1015 CA GLU A 73 1.686 -18.763 2.521 1.00 0.00 C ATOM 1016 C GLU A 73 0.679 -19.904 2.387 1.00 0.00 C ATOM 1017 O GLU A 73 -0.527 -19.696 2.496 1.00 0.00 O ATOM 1018 CB GLU A 73 1.625 -18.180 3.930 1.00 0.00 C ATOM 1019 CG GLU A 73 2.865 -18.459 4.757 1.00 0.00 C ATOM 1020 CD GLU A 73 4.136 -17.966 4.094 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.559 -18.578 3.091 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.707 -16.965 4.577 1.00 0.00 O ATOM 0 H GLU A 73 0.463 -17.409 1.482 1.00 0.00 H new ATOM 0 HA GLU A 73 2.674 -19.178 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.479 -17.102 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.755 -18.588 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.761 -17.983 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.945 -19.532 4.933 1.00 0.00 H new ATOM 1029 N CYS A 74 1.186 -21.113 2.156 1.00 0.00 N ATOM 1030 CA CYS A 74 0.332 -22.284 2.013 1.00 0.00 C ATOM 1031 C CYS A 74 -0.241 -22.745 3.360 1.00 0.00 C ATOM 1032 O CYS A 74 -1.364 -23.244 3.416 1.00 0.00 O ATOM 1033 CB CYS A 74 1.096 -23.430 1.345 1.00 0.00 C ATOM 1034 SG CYS A 74 0.446 -23.914 -0.290 1.00 0.00 S ATOM 0 H CYS A 74 2.184 -21.305 2.064 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.506 -21.996 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.141 -23.139 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.074 -24.298 2.003 1.00 0.00 H new ATOM 1039 N PRO A 75 0.526 -22.608 4.471 1.00 0.00 N ATOM 1040 CA PRO A 75 1.878 -22.021 4.475 1.00 0.00 C ATOM 1041 C PRO A 75 2.916 -22.935 3.832 1.00 0.00 C ATOM 1042 O PRO A 75 2.583 -23.994 3.302 1.00 0.00 O ATOM 1043 CB PRO A 75 2.192 -21.840 5.974 1.00 0.00 C ATOM 1044 CG PRO A 75 0.893 -22.062 6.682 1.00 0.00 C ATOM 1045 CD PRO A 75 0.112 -22.999 5.817 1.00 0.00 C ATOM 0 HA PRO A 75 1.913 -21.096 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.947 -22.553 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.584 -20.843 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.055 -22.488 7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.359 -21.122 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.352 -24.041 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.962 -22.883 5.961 1.00 0.00 H new ATOM 1053 N PRO A 76 4.198 -22.541 3.898 1.00 0.00 N ATOM 1054 CA PRO A 76 5.302 -23.323 3.342 1.00 0.00 C ATOM 1055 C PRO A 76 5.146 -24.823 3.573 1.00 0.00 C ATOM 1056 O PRO A 76 4.229 -25.268 4.263 1.00 0.00 O ATOM 1057 CB PRO A 76 6.510 -22.785 4.104 1.00 0.00 C ATOM 1058 CG PRO A 76 6.173 -21.359 4.372 1.00 0.00 C ATOM 1059 CD PRO A 76 4.674 -21.301 4.540 1.00 0.00 C ATOM 0 HA PRO A 76 5.371 -23.222 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.673 -23.336 5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.423 -22.874 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.679 -21.002 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.497 -20.722 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.391 -21.261 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.252 -20.416 4.063 1.00 0.00 H new ATOM 1067 N GLY A 77 6.044 -25.597 2.979 1.00 0.00 N ATOM 1068 CA GLY A 77 5.980 -27.038 3.112 1.00 0.00 C ATOM 1069 C GLY A 77 5.208 -27.653 1.966 1.00 0.00 C ATOM 1070 O GLY A 77 5.320 -28.848 1.691 1.00 0.00 O ATOM 0 H GLY A 77 6.815 -25.252 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.989 -27.450 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.504 -27.299 4.057 1.00 0.00 H new ATOM 1074 N HIS A 78 4.428 -26.814 1.291 1.00 0.00 N ATOM 1075 CA HIS A 78 3.629 -27.242 0.154 1.00 0.00 C ATOM 1076 C HIS A 78 4.319 -26.837 -1.152 1.00 0.00 C ATOM 1077 O HIS A 78 5.490 -27.158 -1.357 1.00 0.00 O ATOM 1078 CB HIS A 78 2.228 -26.635 0.250 1.00 0.00 C ATOM 1079 CG HIS A 78 1.208 -27.345 -0.584 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.468 -28.524 -1.251 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.083 -27.039 -0.856 1.00 0.00 C ATOM 1082 CE1 HIS A 78 0.383 -28.911 -1.898 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.572 -28.028 -1.674 1.00 0.00 N ATOM 0 H HIS A 78 4.334 -25.824 1.517 1.00 0.00 H new ATOM 0 HA HIS A 78 3.533 -28.328 0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.906 -26.648 1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.272 -25.590 -0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.627 -26.178 -0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.293 -29.799 -2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.520 -28.073 -2.048 1.00 0.00 H new ATOM 1092 N GLN A 79 3.614 -26.123 -2.031 1.00 0.00 N ATOM 1093 CA GLN A 79 4.201 -25.685 -3.290 1.00 0.00 C ATOM 1094 C GLN A 79 3.548 -24.391 -3.758 1.00 0.00 C ATOM 1095 O GLN A 79 2.882 -24.355 -4.793 1.00 0.00 O ATOM 1096 CB GLN A 79 4.066 -26.775 -4.354 1.00 0.00 C ATOM 1097 CG GLN A 79 4.618 -26.375 -5.713 1.00 0.00 C ATOM 1098 CD GLN A 79 4.078 -27.234 -6.838 1.00 0.00 C ATOM 1099 OE1 GLN A 79 3.374 -28.216 -6.602 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.405 -26.869 -8.073 1.00 0.00 N ATOM 0 H GLN A 79 2.644 -25.840 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 79 5.262 -25.496 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.583 -27.671 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.013 -27.036 -4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.372 -25.331 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.705 -26.448 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.991 -26.048 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.070 -27.410 -8.870 1.00 0.00 H new ATOM 1109 N LEU A 80 3.737 -23.333 -2.981 1.00 0.00 N ATOM 1110 CA LEU A 80 3.165 -22.033 -3.303 1.00 0.00 C ATOM 1111 C LEU A 80 4.131 -21.209 -4.141 1.00 0.00 C ATOM 1112 O LEU A 80 5.164 -20.754 -3.650 1.00 0.00 O ATOM 1113 CB LEU A 80 2.805 -21.285 -2.020 1.00 0.00 C ATOM 1114 CG LEU A 80 2.145 -19.918 -2.213 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.409 -19.844 -3.543 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.188 -19.633 -1.067 1.00 0.00 C ATOM 0 H LEU A 80 4.284 -23.350 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 80 2.258 -22.192 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.135 -21.912 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.713 -21.150 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 80 2.930 -19.162 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.951 -18.861 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.114 -20.007 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.635 -20.611 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.724 -18.658 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.416 -20.402 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.737 -19.635 -0.125 1.00 0.00 H new ATOM 1128 N SER A 81 3.785 -21.017 -5.406 1.00 0.00 N ATOM 1129 CA SER A 81 4.618 -20.243 -6.312 1.00 0.00 C ATOM 1130 C SER A 81 4.818 -18.826 -5.773 1.00 0.00 C ATOM 1131 O SER A 81 3.879 -18.206 -5.274 1.00 0.00 O ATOM 1132 CB SER A 81 3.984 -20.208 -7.700 1.00 0.00 C ATOM 1133 OG SER A 81 4.798 -19.494 -8.611 1.00 0.00 O ATOM 0 H SER A 81 2.933 -21.387 -5.827 1.00 0.00 H new ATOM 0 HA SER A 81 5.596 -20.719 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.834 -21.225 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.000 -19.742 -7.643 1.00 0.00 H new ATOM 0 HG SER A 81 5.313 -20.126 -9.154 1.00 0.00 H new ATOM 1139 N PRO A 82 6.054 -18.301 -5.843 1.00 0.00 N ATOM 1140 CA PRO A 82 6.384 -16.962 -5.338 1.00 0.00 C ATOM 1141 C PRO A 82 5.869 -15.827 -6.219 1.00 0.00 C ATOM 1142 O PRO A 82 6.384 -15.592 -7.311 1.00 0.00 O ATOM 1143 CB PRO A 82 7.920 -16.940 -5.314 1.00 0.00 C ATOM 1144 CG PRO A 82 8.363 -18.331 -5.641 1.00 0.00 C ATOM 1145 CD PRO A 82 7.235 -18.973 -6.394 1.00 0.00 C ATOM 0 HA PRO A 82 5.915 -16.797 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.310 -16.227 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.290 -16.634 -4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.272 -18.317 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.590 -18.889 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.325 -18.816 -7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.201 -20.050 -6.231 1.00 0.00 H new ATOM 1153 N ASN A 83 4.872 -15.103 -5.716 1.00 0.00 N ATOM 1154 CA ASN A 83 4.301 -13.962 -6.429 1.00 0.00 C ATOM 1155 C ASN A 83 3.482 -14.382 -7.644 1.00 0.00 C ATOM 1156 O ASN A 83 2.912 -13.534 -8.332 1.00 0.00 O ATOM 1157 CB ASN A 83 5.409 -12.999 -6.859 1.00 0.00 C ATOM 1158 CG ASN A 83 6.166 -12.422 -5.678 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.390 -12.297 -5.713 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.439 -12.069 -4.624 1.00 0.00 N ATOM 0 H ASN A 83 4.440 -15.288 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 83 3.624 -13.462 -5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.107 -13.521 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.974 -12.186 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.893 -11.676 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.426 -12.191 -4.639 1.00 0.00 H new ATOM 1167 N ILE A 84 3.410 -15.679 -7.911 1.00 0.00 N ATOM 1168 CA ILE A 84 2.638 -16.164 -9.048 1.00 0.00 C ATOM 1169 C ILE A 84 1.150 -16.151 -8.719 1.00 0.00 C ATOM 1170 O ILE A 84 0.317 -15.862 -9.576 1.00 0.00 O ATOM 1171 CB ILE A 84 3.074 -17.578 -9.472 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.433 -17.518 -10.172 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.030 -18.214 -10.381 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.533 -16.951 -9.304 1.00 0.00 C ATOM 0 H ILE A 84 3.870 -16.407 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 84 2.828 -15.493 -9.886 1.00 0.00 H new ATOM 0 HB ILE A 84 3.166 -18.197 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.713 -18.522 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.342 -16.911 -11.073 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.358 -19.213 -10.669 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.080 -18.283 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.904 -17.602 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.468 -16.938 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.274 -15.935 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.651 -17.571 -8.415 1.00 0.00 H new ATOM 1186 N SER A 85 0.827 -16.438 -7.461 1.00 0.00 N ATOM 1187 CA SER A 85 -0.558 -16.429 -7.001 1.00 0.00 C ATOM 1188 C SER A 85 -1.270 -17.755 -7.272 1.00 0.00 C ATOM 1189 O SER A 85 -1.977 -17.892 -8.271 1.00 0.00 O ATOM 1190 CB SER A 85 -1.316 -15.276 -7.672 1.00 0.00 C ATOM 1191 OG SER A 85 -1.898 -15.681 -8.899 1.00 0.00 O ATOM 0 H SER A 85 1.507 -16.680 -6.741 1.00 0.00 H new ATOM 0 HA SER A 85 -0.546 -16.287 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.095 -14.912 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.633 -14.445 -7.849 1.00 0.00 H new ATOM 0 HG SER A 85 -1.594 -15.088 -9.617 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.097 -18.723 -6.362 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.742 -20.034 -6.490 1.00 0.00 C ATOM 1199 C ALA A 86 -0.929 -21.143 -5.825 1.00 0.00 C ATOM 1200 O ALA A 86 -0.009 -21.696 -6.429 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.979 -20.383 -7.952 1.00 0.00 C ATOM 0 H ALA A 86 -0.516 -18.622 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.700 -19.962 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.458 -21.360 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.624 -19.630 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.025 -20.409 -8.479 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.288 -21.483 -4.589 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.605 -22.545 -3.860 1.00 0.00 C ATOM 1209 C CYS A 87 -0.628 -23.840 -4.667 1.00 0.00 C ATOM 1210 O CYS A 87 -1.446 -23.995 -5.574 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.281 -22.773 -2.506 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.308 -22.202 -1.078 1.00 0.00 S ATOM 0 H CYS A 87 -2.047 -21.038 -4.073 1.00 0.00 H new ATOM 0 HA CYS A 87 0.430 -22.244 -3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.244 -22.262 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.485 -23.837 -2.390 1.00 0.00 H new ATOM 1217 N ILE A 88 0.264 -24.770 -4.338 1.00 0.00 N ATOM 1218 CA ILE A 88 0.318 -26.043 -5.047 1.00 0.00 C ATOM 1219 C ILE A 88 0.739 -27.175 -4.117 1.00 0.00 C ATOM 1220 O ILE A 88 0.389 -28.338 -4.406 1.00 0.00 O ATOM 1221 CB ILE A 88 1.286 -25.982 -6.246 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.128 -24.653 -6.989 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.040 -27.154 -7.184 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.621 -24.699 -8.420 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.418 -26.889 -3.109 1.00 0.00 O ATOM 0 H ILE A 88 0.953 -24.667 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.688 -26.240 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 88 2.308 -26.049 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.076 -24.366 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.672 -23.878 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.730 -27.098 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.198 -28.089 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.015 -27.116 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.478 -23.724 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.680 -24.955 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.060 -25.451 -8.974 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.870 21.805 -8.002 1.00 0.00 CA HETATM 1239 CA CA A 102 1.363 -4.749 -1.511 1.00 0.00 CA