USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 114 ASN : amide:sc= -0.516! C(o=-0.21!,f=-8.7!) USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0.305 K(o=-0.21,f=-14!) USER MOD Set 2.1: A 98 ASN : amide:sc= 1.09 X(o=2.1,f=2) USER MOD Set 2.2: A 100 TYR OH : rot 150:sc= 1.01 USER MOD Set 3.1: A 94 ASN : amide:sc= 1.41 K(o=2.6,f=-11!) USER MOD Set 3.2: A 96 THR OG1 : rot 88:sc= 1.16 USER MOD Set 4.1: A 89 ASN : amide:sc= 1.85 K(o=0.15,f=-0.87) USER MOD Set 4.2: A 93 TYR OH : rot 157:sc= -1.7! USER MOD Set 5.1: A 66 GLN : amide:sc= 0.762 K(o=1.6,f=-2.7!) USER MOD Set 5.2: A 115 TYR OH : rot -46:sc= 0.863 USER MOD Set 6.1: A 49 THR OG1 : rot 180:sc= -0.0986 USER MOD Set 6.2: A 62 THR OG1 : rot -170:sc= 0.458 USER MOD Set 6.3: A 73 GLN : amide:sc= 0.451 K(o=0.81,f=-0.88) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.91) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.678 USER MOD Single : A 52 ASN : amide:sc= 0.122 X(o=0.12,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 69 THR OG1 : rot -130:sc= 0.251 USER MOD Single : A 74 SER OG : rot -150:sc= -0.569 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -126:sc= 1.27 USER MOD Single : A 106 ASN : amide:sc= 1.22 K(o=1.2,f=-0.15) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -0.077 12.431 -7.116 1.00 0.00 N ATOM 2 CA TYR A 44 0.614 11.169 -7.528 1.00 0.00 C ATOM 3 C TYR A 44 -0.298 9.935 -7.462 1.00 0.00 C ATOM 4 O TYR A 44 0.083 8.860 -7.925 1.00 0.00 O ATOM 5 CB TYR A 44 1.841 10.970 -6.633 1.00 0.00 C ATOM 6 CG TYR A 44 3.152 11.033 -7.384 1.00 0.00 C ATOM 7 CD1 TYR A 44 3.570 9.972 -8.178 1.00 0.00 C ATOM 8 CD2 TYR A 44 3.971 12.152 -7.303 1.00 0.00 C ATOM 9 CE1 TYR A 44 4.764 10.025 -8.871 1.00 0.00 C ATOM 10 CE2 TYR A 44 5.167 12.211 -7.991 1.00 0.00 C ATOM 11 CZ TYR A 44 5.558 11.147 -8.774 1.00 0.00 C ATOM 12 OH TYR A 44 6.747 11.206 -9.463 1.00 0.00 O ATOM 0 HA TYR A 44 0.908 11.273 -8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.840 11.733 -5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.764 10.004 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.951 9.091 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.668 12.989 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.073 9.192 -9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.793 13.088 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 44 7.185 12.065 -9.287 1.00 0.00 H new ATOM 22 N CYS A 45 -1.496 10.092 -6.903 1.00 0.00 N ATOM 23 CA CYS A 45 -2.451 8.983 -6.799 1.00 0.00 C ATOM 24 C CYS A 45 -3.806 9.369 -7.393 1.00 0.00 C ATOM 25 O CYS A 45 -4.050 10.533 -7.705 1.00 0.00 O ATOM 26 CB CYS A 45 -2.627 8.553 -5.340 1.00 0.00 C ATOM 27 SG CYS A 45 -1.379 7.359 -4.758 1.00 0.00 S ATOM 0 H CYS A 45 -1.831 10.974 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.048 8.145 -7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.591 9.438 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.618 8.114 -5.219 1.00 0.00 H new ATOM 32 N HIS A 46 -4.680 8.377 -7.548 1.00 0.00 N ATOM 33 CA HIS A 46 -6.012 8.602 -8.109 1.00 0.00 C ATOM 34 C HIS A 46 -6.940 7.416 -7.802 1.00 0.00 C ATOM 35 O HIS A 46 -6.853 6.834 -6.716 1.00 0.00 O ATOM 36 CB HIS A 46 -5.895 8.853 -9.622 1.00 0.00 C ATOM 37 CG HIS A 46 -6.988 9.708 -10.191 1.00 0.00 C ATOM 38 ND1 HIS A 46 -7.514 10.799 -9.532 1.00 0.00 N ATOM 39 CD2 HIS A 46 -7.659 9.620 -11.364 1.00 0.00 C ATOM 40 CE1 HIS A 46 -8.462 11.345 -10.274 1.00 0.00 C ATOM 41 NE2 HIS A 46 -8.567 10.649 -11.391 1.00 0.00 N ATOM 0 H HIS A 46 -4.490 7.408 -7.293 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.455 9.484 -7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.935 9.327 -9.827 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.894 7.893 -10.139 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.508 8.878 -12.135 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.050 12.212 -10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.218 10.844 -12.152 1.00 0.00 H new ATOM 50 N ARG A 47 -7.828 7.068 -8.739 1.00 0.00 N ATOM 51 CA ARG A 47 -8.764 5.962 -8.538 1.00 0.00 C ATOM 52 C ARG A 47 -8.881 5.082 -9.788 1.00 0.00 C ATOM 53 O ARG A 47 -8.725 3.864 -9.702 1.00 0.00 O ATOM 54 CB ARG A 47 -10.145 6.498 -8.146 1.00 0.00 C ATOM 55 CG ARG A 47 -10.124 7.453 -6.960 1.00 0.00 C ATOM 56 CD ARG A 47 -9.655 6.757 -5.691 1.00 0.00 C ATOM 57 NE ARG A 47 -9.612 7.674 -4.545 1.00 0.00 N ATOM 58 CZ ARG A 47 -8.503 8.122 -3.967 1.00 0.00 C ATOM 59 NH1 ARG A 47 -7.317 7.890 -4.495 1.00 0.00 N ATOM 60 NH2 ARG A 47 -8.590 8.855 -2.873 1.00 0.00 N ATOM 0 H ARG A 47 -7.917 7.536 -9.641 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.372 5.345 -7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.582 7.009 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.797 5.657 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.465 8.293 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.122 7.863 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.323 5.926 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.664 6.334 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.503 7.992 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.240 7.358 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.477 8.242 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.504 9.074 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.743 9.203 -2.423 1.00 0.00 H new ATOM 74 N THR A 48 -9.176 5.705 -10.941 1.00 0.00 N ATOM 75 CA THR A 48 -9.338 4.981 -12.216 1.00 0.00 C ATOM 76 C THR A 48 -10.144 3.691 -12.022 1.00 0.00 C ATOM 77 O THR A 48 -9.760 2.621 -12.501 1.00 0.00 O ATOM 78 CB THR A 48 -7.975 4.675 -12.860 1.00 0.00 C ATOM 79 OG1 THR A 48 -8.146 4.002 -14.096 1.00 0.00 O ATOM 80 CG2 THR A 48 -7.063 3.819 -12.007 1.00 0.00 C ATOM 0 H THR A 48 -9.308 6.714 -11.018 1.00 0.00 H new ATOM 0 HA THR A 48 -9.894 5.630 -12.892 1.00 0.00 H new ATOM 0 HB THR A 48 -7.506 5.651 -12.988 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.718 3.217 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.124 3.651 -12.534 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.863 4.328 -11.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.544 2.861 -11.808 1.00 0.00 H new ATOM 88 N THR A 49 -11.262 3.810 -11.309 1.00 0.00 N ATOM 89 CA THR A 49 -12.132 2.667 -11.032 1.00 0.00 C ATOM 90 C THR A 49 -13.409 2.716 -11.880 1.00 0.00 C ATOM 91 O THR A 49 -13.432 3.325 -12.953 1.00 0.00 O ATOM 92 CB THR A 49 -12.478 2.633 -9.535 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.251 1.488 -9.223 1.00 0.00 O ATOM 94 CG2 THR A 49 -13.257 3.844 -9.063 1.00 0.00 C ATOM 0 H THR A 49 -11.589 4.690 -10.911 1.00 0.00 H new ATOM 0 HA THR A 49 -11.598 1.755 -11.299 1.00 0.00 H new ATOM 0 HB THR A 49 -11.515 2.618 -9.025 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.459 1.485 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 49 -13.465 3.750 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.671 4.746 -9.240 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.197 3.909 -9.612 1.00 0.00 H new ATOM 102 N ILE A 50 -14.467 2.076 -11.391 1.00 0.00 N ATOM 103 CA ILE A 50 -15.750 2.044 -12.092 1.00 0.00 C ATOM 104 C ILE A 50 -16.478 3.386 -11.961 1.00 0.00 C ATOM 105 O ILE A 50 -16.240 4.143 -11.016 1.00 0.00 O ATOM 106 CB ILE A 50 -16.653 0.910 -11.553 1.00 0.00 C ATOM 107 CG1 ILE A 50 -15.975 -0.451 -11.739 1.00 0.00 C ATOM 108 CG2 ILE A 50 -18.011 0.913 -12.247 1.00 0.00 C ATOM 109 CD1 ILE A 50 -15.039 -0.824 -10.610 1.00 0.00 C ATOM 0 H ILE A 50 -14.462 1.569 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.541 1.854 -13.145 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.809 1.086 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.742 -1.220 -11.832 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.416 -0.444 -12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -18.625 0.105 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -18.507 1.867 -12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -17.872 0.768 -13.318 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -14.596 -1.800 -10.812 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.249 -0.077 -10.530 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.596 -0.865 -9.674 1.00 0.00 H new ATOM 121 N GLY A 51 -17.362 3.674 -12.916 1.00 0.00 N ATOM 122 CA GLY A 51 -18.113 4.922 -12.896 1.00 0.00 C ATOM 123 C GLY A 51 -19.116 4.991 -11.756 1.00 0.00 C ATOM 124 O GLY A 51 -19.642 3.964 -11.322 1.00 0.00 O ATOM 0 H GLY A 51 -17.572 3.064 -13.706 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.418 5.757 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.639 5.039 -13.844 1.00 0.00 H new ATOM 128 N ASN A 52 -19.377 6.211 -11.276 1.00 0.00 N ATOM 129 CA ASN A 52 -20.321 6.441 -10.176 1.00 0.00 C ATOM 130 C ASN A 52 -19.700 6.076 -8.824 1.00 0.00 C ATOM 131 O ASN A 52 -18.781 5.259 -8.750 1.00 0.00 O ATOM 132 CB ASN A 52 -21.614 5.646 -10.397 1.00 0.00 C ATOM 133 CG ASN A 52 -22.829 6.341 -9.819 1.00 0.00 C ATOM 134 OD1 ASN A 52 -23.411 7.218 -10.450 1.00 0.00 O ATOM 135 ND2 ASN A 52 -23.215 5.959 -8.614 1.00 0.00 N ATOM 0 H ASN A 52 -18.944 7.062 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.560 7.504 -10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.763 5.490 -11.466 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.513 4.661 -9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -24.025 6.397 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.703 5.226 -8.123 1.00 0.00 H new ATOM 142 N PHE A 53 -20.206 6.692 -7.753 1.00 0.00 N ATOM 143 CA PHE A 53 -19.690 6.429 -6.406 1.00 0.00 C ATOM 144 C PHE A 53 -19.757 4.939 -6.073 1.00 0.00 C ATOM 145 O PHE A 53 -20.827 4.397 -5.796 1.00 0.00 O ATOM 146 CB PHE A 53 -20.435 7.247 -5.338 1.00 0.00 C ATOM 147 CG PHE A 53 -21.893 7.495 -5.627 1.00 0.00 C ATOM 148 CD1 PHE A 53 -22.844 6.528 -5.347 1.00 0.00 C ATOM 149 CD2 PHE A 53 -22.310 8.701 -6.171 1.00 0.00 C ATOM 150 CE1 PHE A 53 -24.182 6.756 -5.605 1.00 0.00 C ATOM 151 CE2 PHE A 53 -23.647 8.937 -6.429 1.00 0.00 C ATOM 152 CZ PHE A 53 -24.585 7.962 -6.146 1.00 0.00 C ATOM 0 H PHE A 53 -20.966 7.371 -7.790 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.646 6.742 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.353 6.729 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -19.934 8.208 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.536 5.584 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.581 9.465 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -24.913 5.992 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.958 9.881 -6.851 1.00 0.00 H new ATOM 0 HZ PHE A 53 -25.631 8.142 -6.347 1.00 0.00 H new ATOM 162 N SER A 54 -18.596 4.288 -6.113 1.00 0.00 N ATOM 163 CA SER A 54 -18.484 2.856 -5.826 1.00 0.00 C ATOM 164 C SER A 54 -19.430 2.033 -6.707 1.00 0.00 C ATOM 165 O SER A 54 -20.396 1.446 -6.216 1.00 0.00 O ATOM 166 CB SER A 54 -18.769 2.575 -4.349 1.00 0.00 C ATOM 167 OG SER A 54 -18.499 1.218 -4.032 1.00 0.00 O ATOM 0 H SER A 54 -17.709 4.735 -6.344 1.00 0.00 H new ATOM 0 HA SER A 54 -17.460 2.557 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.157 3.227 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.811 2.805 -4.125 1.00 0.00 H new ATOM 0 HG SER A 54 -18.686 1.060 -3.083 1.00 0.00 H new ATOM 173 N GLY A 55 -19.137 1.992 -8.009 1.00 0.00 N ATOM 174 CA GLY A 55 -19.964 1.236 -8.947 1.00 0.00 C ATOM 175 C GLY A 55 -20.220 -0.196 -8.492 1.00 0.00 C ATOM 176 O GLY A 55 -21.375 -0.616 -8.399 1.00 0.00 O ATOM 0 H GLY A 55 -18.341 2.469 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.918 1.747 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.477 1.220 -9.922 1.00 0.00 H new ATOM 180 N PRO A 56 -19.156 -0.972 -8.201 1.00 0.00 N ATOM 181 CA PRO A 56 -19.280 -2.359 -7.750 1.00 0.00 C ATOM 182 C PRO A 56 -19.410 -2.458 -6.223 1.00 0.00 C ATOM 183 O PRO A 56 -19.790 -1.492 -5.559 1.00 0.00 O ATOM 184 CB PRO A 56 -17.963 -2.957 -8.235 1.00 0.00 C ATOM 185 CG PRO A 56 -16.978 -1.849 -8.069 1.00 0.00 C ATOM 186 CD PRO A 56 -17.739 -0.562 -8.287 1.00 0.00 C ATOM 0 HA PRO A 56 -20.168 -2.864 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.682 -3.831 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -18.030 -3.279 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.532 -1.872 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.163 -1.944 -8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.491 0.182 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.508 -0.120 -9.256 1.00 0.00 H new ATOM 194 N TYR A 57 -19.089 -3.629 -5.669 1.00 0.00 N ATOM 195 CA TYR A 57 -19.169 -3.837 -4.224 1.00 0.00 C ATOM 196 C TYR A 57 -18.162 -2.955 -3.479 1.00 0.00 C ATOM 197 O TYR A 57 -17.240 -2.395 -4.075 1.00 0.00 O ATOM 198 CB TYR A 57 -18.932 -5.312 -3.885 1.00 0.00 C ATOM 199 CG TYR A 57 -19.352 -5.697 -2.484 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.694 -5.840 -2.158 1.00 0.00 C ATOM 201 CD2 TYR A 57 -18.408 -5.916 -1.489 1.00 0.00 C ATOM 202 CE1 TYR A 57 -21.082 -6.189 -0.880 1.00 0.00 C ATOM 203 CE2 TYR A 57 -18.791 -6.267 -0.209 1.00 0.00 C ATOM 204 CZ TYR A 57 -20.129 -6.402 0.089 1.00 0.00 C ATOM 205 OH TYR A 57 -20.516 -6.752 1.361 1.00 0.00 O ATOM 0 H TYR A 57 -18.773 -4.443 -6.197 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.170 -3.554 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.476 -5.930 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.873 -5.537 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.446 -5.676 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.358 -5.810 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.130 -6.294 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -18.045 -6.435 0.554 1.00 0.00 H new ATOM 0 HH TYR A 57 -19.722 -6.867 1.924 1.00 0.00 H new ATOM 215 N THR A 58 -18.357 -2.840 -2.169 1.00 0.00 N ATOM 216 CA THR A 58 -17.481 -2.024 -1.321 1.00 0.00 C ATOM 217 C THR A 58 -16.067 -2.602 -1.249 1.00 0.00 C ATOM 218 O THR A 58 -15.846 -3.669 -0.673 1.00 0.00 O ATOM 219 CB THR A 58 -18.058 -1.906 0.093 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.475 -1.891 0.062 1.00 0.00 O ATOM 221 CG2 THR A 58 -17.610 -0.658 0.820 1.00 0.00 C ATOM 0 H THR A 58 -19.115 -3.301 -1.666 1.00 0.00 H new ATOM 0 HA THR A 58 -17.424 -1.034 -1.774 1.00 0.00 H new ATOM 0 HB THR A 58 -17.682 -2.779 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.821 -1.817 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.055 -0.637 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.524 -0.659 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.928 0.222 0.262 1.00 0.00 H new ATOM 229 N TYR A 59 -15.110 -1.882 -1.831 1.00 0.00 N ATOM 230 CA TYR A 59 -13.711 -2.312 -1.830 1.00 0.00 C ATOM 231 C TYR A 59 -12.806 -1.253 -1.197 1.00 0.00 C ATOM 232 O TYR A 59 -13.186 -0.085 -1.083 1.00 0.00 O ATOM 233 CB TYR A 59 -13.239 -2.610 -3.259 1.00 0.00 C ATOM 234 CG TYR A 59 -14.146 -3.546 -4.029 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.609 -4.726 -3.461 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.537 -3.248 -5.327 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.436 -5.580 -4.166 1.00 0.00 C ATOM 238 CE2 TYR A 59 -15.363 -4.096 -6.037 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.809 -5.259 -5.452 1.00 0.00 C ATOM 240 OH TYR A 59 -16.634 -6.104 -6.156 1.00 0.00 O ATOM 0 H TYR A 59 -15.277 -0.997 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.646 -3.222 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.156 -1.671 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.240 -3.043 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.318 -4.980 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.189 -2.336 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.788 -6.494 -3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.658 -3.848 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.802 -5.731 -7.046 1.00 0.00 H new ATOM 250 N CYS A 60 -11.605 -1.676 -0.794 1.00 0.00 N ATOM 251 CA CYS A 60 -10.622 -0.776 -0.169 1.00 0.00 C ATOM 252 C CYS A 60 -10.511 0.546 -0.928 1.00 0.00 C ATOM 253 O CYS A 60 -10.596 0.583 -2.159 1.00 0.00 O ATOM 254 CB CYS A 60 -9.240 -1.438 -0.106 1.00 0.00 C ATOM 255 SG CYS A 60 -9.266 -3.225 0.245 1.00 0.00 S ATOM 0 H CYS A 60 -11.285 -2.640 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.974 -0.571 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.731 -1.276 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.648 -0.940 0.662 1.00 0.00 H new ATOM 260 N ASN A 61 -10.312 1.632 -0.192 1.00 0.00 N ATOM 261 CA ASN A 61 -10.182 2.953 -0.802 1.00 0.00 C ATOM 262 C ASN A 61 -8.736 3.230 -1.202 1.00 0.00 C ATOM 263 O ASN A 61 -7.808 2.995 -0.424 1.00 0.00 O ATOM 264 CB ASN A 61 -10.692 4.042 0.147 1.00 0.00 C ATOM 265 CG ASN A 61 -10.841 5.392 -0.533 1.00 0.00 C ATOM 266 OD1 ASN A 61 -9.879 6.143 -0.662 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.049 5.710 -0.977 1.00 0.00 N ATOM 0 H ASN A 61 -10.237 1.627 0.825 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.794 2.967 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.655 3.738 0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.004 4.137 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.202 6.604 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.826 5.061 -0.852 1.00 0.00 H new ATOM 274 N THR A 62 -8.562 3.726 -2.427 1.00 0.00 N ATOM 275 CA THR A 62 -7.236 4.044 -2.970 1.00 0.00 C ATOM 276 C THR A 62 -6.560 5.154 -2.170 1.00 0.00 C ATOM 277 O THR A 62 -6.809 6.337 -2.405 1.00 0.00 O ATOM 278 CB THR A 62 -7.346 4.467 -4.439 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.338 3.709 -5.116 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.047 4.320 -5.203 1.00 0.00 C ATOM 0 H THR A 62 -9.330 3.919 -3.070 1.00 0.00 H new ATOM 0 HA THR A 62 -6.627 3.143 -2.896 1.00 0.00 H new ATOM 0 HB THR A 62 -7.615 5.523 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.282 3.883 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.194 4.636 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.280 4.940 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.730 3.277 -5.185 1.00 0.00 H new ATOM 288 N THR A 63 -5.711 4.773 -1.221 1.00 0.00 N ATOM 289 CA THR A 63 -5.016 5.758 -0.392 1.00 0.00 C ATOM 290 C THR A 63 -3.535 5.429 -0.198 1.00 0.00 C ATOM 291 O THR A 63 -3.027 4.424 -0.701 1.00 0.00 O ATOM 292 CB THR A 63 -5.699 5.875 0.973 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.141 6.946 1.715 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.580 4.625 1.817 1.00 0.00 C ATOM 0 H THR A 63 -5.488 3.801 -1.006 1.00 0.00 H new ATOM 0 HA THR A 63 -5.071 6.709 -0.921 1.00 0.00 H new ATOM 0 HB THR A 63 -6.754 6.044 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.589 7.010 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.087 4.780 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.040 3.787 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.527 4.406 1.997 1.00 0.00 H new ATOM 302 N LEU A 64 -2.861 6.296 0.555 1.00 0.00 N ATOM 303 CA LEU A 64 -1.446 6.150 0.868 1.00 0.00 C ATOM 304 C LEU A 64 -1.265 6.015 2.381 1.00 0.00 C ATOM 305 O LEU A 64 -2.023 6.598 3.156 1.00 0.00 O ATOM 306 CB LEU A 64 -0.669 7.362 0.341 1.00 0.00 C ATOM 307 CG LEU A 64 0.752 7.530 0.887 1.00 0.00 C ATOM 308 CD1 LEU A 64 1.677 8.085 -0.184 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.750 8.442 2.104 1.00 0.00 C ATOM 0 H LEU A 64 -3.288 7.126 0.967 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.059 5.252 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.615 7.291 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.237 8.263 0.574 1.00 0.00 H new ATOM 0 HG LEU A 64 1.120 6.549 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.681 8.197 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.704 7.400 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.310 9.057 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.768 8.550 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.360 9.421 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.121 8.009 2.882 1.00 0.00 H new ATOM 321 N ASP A 65 -0.269 5.242 2.795 1.00 0.00 N ATOM 322 CA ASP A 65 -0.007 5.037 4.219 1.00 0.00 C ATOM 323 C ASP A 65 1.427 5.440 4.586 1.00 0.00 C ATOM 324 O ASP A 65 2.108 6.103 3.804 1.00 0.00 O ATOM 325 CB ASP A 65 -0.276 3.575 4.588 1.00 0.00 C ATOM 326 CG ASP A 65 -0.771 3.420 6.009 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.987 3.555 6.232 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.068 3.157 6.900 1.00 0.00 O ATOM 0 H ASP A 65 0.369 4.748 2.171 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.679 5.676 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.014 3.160 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.639 2.997 4.460 1.00 0.00 H new ATOM 333 N GLN A 66 1.875 5.042 5.785 1.00 0.00 N ATOM 334 CA GLN A 66 3.224 5.363 6.268 1.00 0.00 C ATOM 335 C GLN A 66 4.270 5.268 5.151 1.00 0.00 C ATOM 336 O GLN A 66 5.080 6.178 4.975 1.00 0.00 O ATOM 337 CB GLN A 66 3.602 4.435 7.425 1.00 0.00 C ATOM 338 CG GLN A 66 4.732 4.975 8.292 1.00 0.00 C ATOM 339 CD GLN A 66 5.685 3.892 8.762 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.913 2.902 8.066 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.251 4.072 9.946 1.00 0.00 N ATOM 0 H GLN A 66 1.318 4.494 6.441 1.00 0.00 H new ATOM 0 HA GLN A 66 3.212 6.395 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.724 4.269 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.895 3.466 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.290 5.723 7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.308 5.480 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.036 4.906 10.493 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.902 3.377 10.311 1.00 0.00 H new ATOM 350 N ILE A 67 4.239 4.172 4.391 1.00 0.00 N ATOM 351 CA ILE A 67 5.172 3.986 3.286 1.00 0.00 C ATOM 352 C ILE A 67 4.620 4.613 2.006 1.00 0.00 C ATOM 353 O ILE A 67 3.491 4.331 1.600 1.00 0.00 O ATOM 354 CB ILE A 67 5.495 2.497 3.029 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.225 1.644 3.041 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.486 1.986 4.065 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.300 0.435 2.134 1.00 0.00 C ATOM 0 H ILE A 67 3.580 3.405 4.522 1.00 0.00 H new ATOM 0 HA ILE A 67 6.098 4.484 3.574 1.00 0.00 H new ATOM 0 HB ILE A 67 5.944 2.416 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.030 1.312 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.379 2.262 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.705 0.936 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.407 2.566 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.057 2.090 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.365 -0.123 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.464 0.760 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.125 -0.205 2.448 1.00 0.00 H new ATOM 369 N GLY A 68 5.426 5.476 1.389 1.00 0.00 N ATOM 370 CA GLY A 68 5.026 6.161 0.169 1.00 0.00 C ATOM 371 C GLY A 68 4.560 5.228 -0.932 1.00 0.00 C ATOM 372 O GLY A 68 5.363 4.726 -1.718 1.00 0.00 O ATOM 0 H GLY A 68 6.361 5.715 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.224 6.861 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.866 6.750 -0.198 1.00 0.00 H new ATOM 376 N THR A 69 3.255 5.007 -0.990 1.00 0.00 N ATOM 377 CA THR A 69 2.660 4.140 -2.007 1.00 0.00 C ATOM 378 C THR A 69 1.166 4.434 -2.169 1.00 0.00 C ATOM 379 O THR A 69 0.681 5.484 -1.739 1.00 0.00 O ATOM 380 CB THR A 69 2.891 2.665 -1.660 1.00 0.00 C ATOM 381 OG1 THR A 69 2.479 1.828 -2.729 1.00 0.00 O ATOM 382 CG2 THR A 69 2.157 2.207 -0.418 1.00 0.00 C ATOM 0 H THR A 69 2.581 5.417 -0.343 1.00 0.00 H new ATOM 0 HA THR A 69 3.148 4.347 -2.959 1.00 0.00 H new ATOM 0 HB THR A 69 3.962 2.584 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.897 1.119 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.370 1.153 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.487 2.796 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.085 2.342 -0.559 1.00 0.00 H new ATOM 390 N CYS A 70 0.441 3.509 -2.788 1.00 0.00 N ATOM 391 CA CYS A 70 -0.995 3.681 -2.997 1.00 0.00 C ATOM 392 C CYS A 70 -1.729 2.344 -2.926 1.00 0.00 C ATOM 393 O CYS A 70 -1.440 1.422 -3.693 1.00 0.00 O ATOM 394 CB CYS A 70 -1.258 4.353 -4.349 1.00 0.00 C ATOM 395 SG CYS A 70 -2.470 5.714 -4.281 1.00 0.00 S ATOM 0 H CYS A 70 0.820 2.635 -3.153 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.375 4.320 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.316 4.739 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.612 3.601 -5.054 1.00 0.00 H new ATOM 400 N TRP A 71 -2.676 2.250 -1.999 1.00 0.00 N ATOM 401 CA TRP A 71 -3.465 1.034 -1.809 1.00 0.00 C ATOM 402 C TRP A 71 -4.878 1.228 -2.368 1.00 0.00 C ATOM 403 O TRP A 71 -5.725 1.852 -1.727 1.00 0.00 O ATOM 404 CB TRP A 71 -3.511 0.671 -0.318 1.00 0.00 C ATOM 405 CG TRP A 71 -2.185 0.824 0.367 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.749 1.905 1.078 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.121 -0.132 0.393 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.474 1.678 1.545 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.069 0.434 1.136 1.00 0.00 C ATOM 410 CE3 TRP A 71 -0.957 -1.415 -0.138 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.131 -0.237 1.355 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.236 -2.080 0.083 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.266 -1.490 0.824 1.00 0.00 C ATOM 0 H TRP A 71 -2.919 3.008 -1.361 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.996 0.213 -2.351 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.246 1.303 0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.851 -0.359 -0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.320 2.806 1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.078 2.329 2.104 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.747 -1.878 -0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.928 0.217 1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.375 -3.071 -0.323 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.185 -2.035 0.980 1.00 0.00 H new ATOM 424 N PRO A 72 -5.139 0.725 -3.595 1.00 0.00 N ATOM 425 CA PRO A 72 -6.440 0.871 -4.266 1.00 0.00 C ATOM 426 C PRO A 72 -7.468 -0.209 -3.908 1.00 0.00 C ATOM 427 O PRO A 72 -7.265 -1.008 -2.994 1.00 0.00 O ATOM 428 CB PRO A 72 -6.047 0.772 -5.740 1.00 0.00 C ATOM 429 CG PRO A 72 -4.903 -0.184 -5.752 1.00 0.00 C ATOM 430 CD PRO A 72 -4.170 0.005 -4.445 1.00 0.00 C ATOM 0 HA PRO A 72 -6.941 1.794 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.875 0.409 -6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.758 1.744 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.256 -1.210 -5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.244 0.011 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.885 -0.951 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.253 0.579 -4.580 1.00 0.00 H new ATOM 438 N GLN A 73 -8.579 -0.209 -4.647 1.00 0.00 N ATOM 439 CA GLN A 73 -9.669 -1.166 -4.439 1.00 0.00 C ATOM 440 C GLN A 73 -9.166 -2.610 -4.469 1.00 0.00 C ATOM 441 O GLN A 73 -8.519 -3.033 -5.427 1.00 0.00 O ATOM 442 CB GLN A 73 -10.756 -0.972 -5.506 1.00 0.00 C ATOM 443 CG GLN A 73 -11.634 0.254 -5.283 1.00 0.00 C ATOM 444 CD GLN A 73 -10.923 1.554 -5.609 1.00 0.00 C ATOM 445 OE1 GLN A 73 -10.938 2.017 -6.748 1.00 0.00 O ATOM 446 NE2 GLN A 73 -10.296 2.149 -4.607 1.00 0.00 N ATOM 0 H GLN A 73 -8.749 0.452 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.090 -0.976 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.281 -0.892 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.389 -1.859 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.529 0.171 -5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.963 0.276 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.309 1.730 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.800 3.026 -4.765 1.00 0.00 H new ATOM 455 N SER A 74 -9.470 -3.359 -3.412 1.00 0.00 N ATOM 456 CA SER A 74 -9.053 -4.757 -3.312 1.00 0.00 C ATOM 457 C SER A 74 -10.238 -5.666 -2.973 1.00 0.00 C ATOM 458 O SER A 74 -10.793 -6.321 -3.853 1.00 0.00 O ATOM 459 CB SER A 74 -7.945 -4.904 -2.261 1.00 0.00 C ATOM 460 OG SER A 74 -7.278 -6.150 -2.389 1.00 0.00 O ATOM 0 H SER A 74 -10.004 -3.022 -2.611 1.00 0.00 H new ATOM 0 HA SER A 74 -8.663 -5.066 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.227 -4.091 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.374 -4.819 -1.262 1.00 0.00 H new ATOM 0 HG SER A 74 -6.951 -6.438 -1.511 1.00 0.00 H new ATOM 466 N ALA A 75 -10.615 -5.693 -1.691 1.00 0.00 N ATOM 467 CA ALA A 75 -11.727 -6.512 -1.207 1.00 0.00 C ATOM 468 C ALA A 75 -11.817 -6.446 0.321 1.00 0.00 C ATOM 469 O ALA A 75 -10.796 -6.310 1.001 1.00 0.00 O ATOM 470 CB ALA A 75 -11.566 -7.957 -1.666 1.00 0.00 C ATOM 0 H ALA A 75 -10.157 -5.147 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.652 -6.116 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.402 -8.551 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.548 -7.993 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.633 -8.361 -1.274 1.00 0.00 H new ATOM 476 N PRO A 76 -13.035 -6.538 0.884 1.00 0.00 N ATOM 477 CA PRO A 76 -13.234 -6.486 2.341 1.00 0.00 C ATOM 478 C PRO A 76 -12.607 -7.686 3.058 1.00 0.00 C ATOM 479 O PRO A 76 -13.160 -8.789 3.055 1.00 0.00 O ATOM 480 CB PRO A 76 -14.760 -6.493 2.496 1.00 0.00 C ATOM 481 CG PRO A 76 -15.270 -7.105 1.237 1.00 0.00 C ATOM 482 CD PRO A 76 -14.309 -6.695 0.157 1.00 0.00 C ATOM 0 HA PRO A 76 -12.757 -5.614 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.066 -7.071 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.148 -5.483 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.320 -8.190 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.279 -6.756 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.236 -7.450 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.616 -5.766 -0.324 1.00 0.00 H new ATOM 490 N GLY A 77 -11.443 -7.460 3.673 1.00 0.00 N ATOM 491 CA GLY A 77 -10.749 -8.524 4.387 1.00 0.00 C ATOM 492 C GLY A 77 -9.746 -9.255 3.514 1.00 0.00 C ATOM 493 O GLY A 77 -9.777 -10.481 3.421 1.00 0.00 O ATOM 0 H GLY A 77 -10.969 -6.557 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.234 -8.102 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.480 -9.237 4.769 1.00 0.00 H new ATOM 497 N ALA A 78 -8.852 -8.502 2.876 1.00 0.00 N ATOM 498 CA ALA A 78 -7.836 -9.069 2.009 1.00 0.00 C ATOM 499 C ALA A 78 -6.511 -8.329 2.163 1.00 0.00 C ATOM 500 O ALA A 78 -6.422 -7.319 2.862 1.00 0.00 O ATOM 501 CB ALA A 78 -8.311 -9.028 0.560 1.00 0.00 C ATOM 0 H ALA A 78 -8.816 -7.485 2.949 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.672 -10.107 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.544 -9.455 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.231 -9.605 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.498 -7.995 0.268 1.00 0.00 H new ATOM 507 N LEU A 79 -5.497 -8.849 1.499 1.00 0.00 N ATOM 508 CA LEU A 79 -4.151 -8.270 1.527 1.00 0.00 C ATOM 509 C LEU A 79 -3.738 -7.776 0.134 1.00 0.00 C ATOM 510 O LEU A 79 -3.984 -8.443 -0.871 1.00 0.00 O ATOM 511 CB LEU A 79 -3.149 -9.310 2.043 1.00 0.00 C ATOM 512 CG LEU A 79 -1.734 -8.792 2.322 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.525 -8.568 3.810 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.705 -9.770 1.790 1.00 0.00 C ATOM 0 H LEU A 79 -5.575 -9.686 0.921 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.156 -7.413 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.545 -9.743 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.083 -10.117 1.313 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.612 -7.837 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.514 -8.200 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.245 -7.834 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.666 -9.508 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.297 -9.391 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.834 -10.736 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.836 -9.887 0.714 1.00 0.00 H new ATOM 526 N VAL A 80 -3.107 -6.604 0.087 1.00 0.00 N ATOM 527 CA VAL A 80 -2.661 -6.017 -1.174 1.00 0.00 C ATOM 528 C VAL A 80 -1.138 -5.884 -1.224 1.00 0.00 C ATOM 529 O VAL A 80 -0.505 -5.470 -0.246 1.00 0.00 O ATOM 530 CB VAL A 80 -3.304 -4.631 -1.404 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.707 -3.943 -2.625 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.812 -4.764 -1.553 1.00 0.00 C ATOM 0 H VAL A 80 -2.893 -6.041 0.910 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.980 -6.694 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.091 -4.012 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.179 -2.970 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.635 -3.809 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.879 -4.557 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.250 -3.779 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.038 -5.406 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.230 -5.203 -0.647 1.00 0.00 H new ATOM 542 N GLU A 81 -0.560 -6.231 -2.375 1.00 0.00 N ATOM 543 CA GLU A 81 0.886 -6.153 -2.577 1.00 0.00 C ATOM 544 C GLU A 81 1.260 -4.906 -3.383 1.00 0.00 C ATOM 545 O GLU A 81 0.653 -4.613 -4.420 1.00 0.00 O ATOM 546 CB GLU A 81 1.388 -7.408 -3.293 1.00 0.00 C ATOM 547 CG GLU A 81 2.849 -7.725 -3.011 1.00 0.00 C ATOM 548 CD GLU A 81 3.334 -8.957 -3.749 1.00 0.00 C ATOM 549 OE1 GLU A 81 2.819 -10.059 -3.469 1.00 0.00 O ATOM 550 OE2 GLU A 81 4.228 -8.814 -4.606 1.00 0.00 O ATOM 0 H GLU A 81 -1.076 -6.571 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 81 1.362 -6.085 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.776 -8.258 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.253 -7.282 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.463 -6.871 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.984 -7.872 -1.939 1.00 0.00 H new ATOM 557 N ARG A 82 2.247 -4.164 -2.890 1.00 0.00 N ATOM 558 CA ARG A 82 2.696 -2.934 -3.549 1.00 0.00 C ATOM 559 C ARG A 82 4.222 -2.787 -3.467 1.00 0.00 C ATOM 560 O ARG A 82 4.889 -3.598 -2.826 1.00 0.00 O ATOM 561 CB ARG A 82 2.003 -1.733 -2.891 1.00 0.00 C ATOM 562 CG ARG A 82 0.486 -1.767 -3.003 1.00 0.00 C ATOM 563 CD ARG A 82 0.011 -1.339 -4.384 1.00 0.00 C ATOM 564 NE ARG A 82 0.284 -2.360 -5.402 1.00 0.00 N ATOM 565 CZ ARG A 82 0.351 -2.117 -6.705 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.110 -0.904 -7.169 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.641 -3.094 -7.544 1.00 0.00 N ATOM 0 H ARG A 82 2.754 -4.391 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 82 2.428 -2.978 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.280 -1.697 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.372 -0.816 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.129 -2.775 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.051 -1.110 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.060 -1.136 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.503 -0.408 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 82 0.432 -3.319 -5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.129 -0.150 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.163 -0.722 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.813 -4.035 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.693 -2.908 -8.546 1.00 0.00 H new ATOM 581 N PRO A 83 4.806 -1.759 -4.122 1.00 0.00 N ATOM 582 CA PRO A 83 6.259 -1.544 -4.095 1.00 0.00 C ATOM 583 C PRO A 83 6.742 -0.957 -2.761 1.00 0.00 C ATOM 584 O PRO A 83 5.947 -0.719 -1.849 1.00 0.00 O ATOM 585 CB PRO A 83 6.484 -0.559 -5.244 1.00 0.00 C ATOM 586 CG PRO A 83 5.215 0.215 -5.326 1.00 0.00 C ATOM 587 CD PRO A 83 4.115 -0.738 -4.942 1.00 0.00 C ATOM 0 HA PRO A 83 6.817 -2.474 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.335 0.093 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.692 -1.080 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.239 1.073 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.060 0.603 -6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.329 -0.236 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.644 -1.181 -5.820 1.00 0.00 H new ATOM 595 N CYS A 84 8.050 -0.726 -2.655 1.00 0.00 N ATOM 596 CA CYS A 84 8.642 -0.167 -1.433 1.00 0.00 C ATOM 597 C CYS A 84 8.598 1.368 -1.454 1.00 0.00 C ATOM 598 O CYS A 84 8.511 1.971 -2.522 1.00 0.00 O ATOM 599 CB CYS A 84 10.088 -0.652 -1.280 1.00 0.00 C ATOM 600 SG CYS A 84 10.471 -1.388 0.344 1.00 0.00 S ATOM 0 H CYS A 84 8.722 -0.916 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 84 8.057 -0.513 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.295 -1.389 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.760 0.189 -1.451 1.00 0.00 H new ATOM 605 N PRO A 85 8.657 2.023 -0.272 1.00 0.00 N ATOM 606 CA PRO A 85 8.621 3.493 -0.177 1.00 0.00 C ATOM 607 C PRO A 85 9.792 4.167 -0.900 1.00 0.00 C ATOM 608 O PRO A 85 9.608 5.177 -1.580 1.00 0.00 O ATOM 609 CB PRO A 85 8.687 3.764 1.333 1.00 0.00 C ATOM 610 CG PRO A 85 9.241 2.515 1.929 1.00 0.00 C ATOM 611 CD PRO A 85 8.761 1.392 1.056 1.00 0.00 C ATOM 0 HA PRO A 85 7.731 3.901 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.324 4.621 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.700 3.989 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.330 2.547 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.897 2.386 2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.461 0.557 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.801 1.001 1.393 1.00 0.00 H new ATOM 619 N GLU A 86 10.996 3.605 -0.743 1.00 0.00 N ATOM 620 CA GLU A 86 12.198 4.148 -1.379 1.00 0.00 C ATOM 621 C GLU A 86 12.376 5.642 -1.051 1.00 0.00 C ATOM 622 O GLU A 86 12.371 6.007 0.124 1.00 0.00 O ATOM 623 CB GLU A 86 12.138 3.893 -2.883 1.00 0.00 C ATOM 624 CG GLU A 86 13.514 3.769 -3.518 1.00 0.00 C ATOM 625 CD GLU A 86 13.628 4.516 -4.825 1.00 0.00 C ATOM 626 OE1 GLU A 86 13.397 5.742 -4.825 1.00 0.00 O ATOM 627 OE2 GLU A 86 13.945 3.872 -5.846 1.00 0.00 O ATOM 0 H GLU A 86 11.162 2.772 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 86 13.075 3.638 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.574 2.979 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.594 4.707 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.264 4.146 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.737 2.715 -3.687 1.00 0.00 H new ATOM 634 N TYR A 87 12.524 6.507 -2.068 1.00 0.00 N ATOM 635 CA TYR A 87 12.687 7.951 -1.845 1.00 0.00 C ATOM 636 C TYR A 87 11.763 8.459 -0.728 1.00 0.00 C ATOM 637 O TYR A 87 12.162 9.296 0.086 1.00 0.00 O ATOM 638 CB TYR A 87 12.409 8.718 -3.143 1.00 0.00 C ATOM 639 CG TYR A 87 12.854 10.165 -3.111 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.036 11.154 -2.576 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.090 10.544 -3.618 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.438 12.477 -2.547 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.499 11.865 -3.594 1.00 0.00 C ATOM 644 CZ TYR A 87 13.669 12.826 -3.058 1.00 0.00 C ATOM 645 OH TYR A 87 14.073 14.142 -3.034 1.00 0.00 O ATOM 0 H TYR A 87 12.534 6.231 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 87 13.717 8.125 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.912 8.212 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.340 8.682 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.070 10.884 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.743 9.794 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.791 13.232 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.464 12.142 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 87 14.966 14.217 -3.432 1.00 0.00 H new ATOM 655 N PHE A 88 10.531 7.933 -0.683 1.00 0.00 N ATOM 656 CA PHE A 88 9.555 8.324 0.343 1.00 0.00 C ATOM 657 C PHE A 88 10.051 8.010 1.758 1.00 0.00 C ATOM 658 O PHE A 88 9.558 8.567 2.737 1.00 0.00 O ATOM 659 CB PHE A 88 8.214 7.631 0.093 1.00 0.00 C ATOM 660 CG PHE A 88 7.462 8.185 -1.084 1.00 0.00 C ATOM 661 CD1 PHE A 88 6.862 9.432 -1.018 1.00 0.00 C ATOM 662 CD2 PHE A 88 7.354 7.455 -2.256 1.00 0.00 C ATOM 663 CE1 PHE A 88 6.169 9.941 -2.101 1.00 0.00 C ATOM 664 CE2 PHE A 88 6.663 7.958 -3.340 1.00 0.00 C ATOM 665 CZ PHE A 88 6.069 9.202 -3.263 1.00 0.00 C ATOM 0 H PHE A 88 10.187 7.237 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 88 9.424 9.404 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.388 6.567 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.595 7.723 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.936 10.013 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.816 6.481 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.707 10.915 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.587 7.379 -4.248 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.527 9.596 -4.110 1.00 0.00 H new ATOM 675 N ASN A 89 11.037 7.130 1.849 1.00 0.00 N ATOM 676 CA ASN A 89 11.630 6.741 3.126 1.00 0.00 C ATOM 677 C ASN A 89 12.796 7.665 3.504 1.00 0.00 C ATOM 678 O ASN A 89 13.431 7.470 4.543 1.00 0.00 O ATOM 679 CB ASN A 89 12.128 5.289 3.043 1.00 0.00 C ATOM 680 CG ASN A 89 12.066 4.548 4.368 1.00 0.00 C ATOM 681 OD1 ASN A 89 11.692 3.378 4.411 1.00 0.00 O ATOM 682 ND2 ASN A 89 12.452 5.207 5.451 1.00 0.00 N ATOM 0 H ASN A 89 11.451 6.664 1.042 1.00 0.00 H new ATOM 0 HA ASN A 89 10.864 6.827 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.531 4.751 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.157 5.287 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.445 4.743 6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.756 6.178 5.376 1.00 0.00 H new ATOM 689 N GLY A 90 13.082 8.661 2.657 1.00 0.00 N ATOM 690 CA GLY A 90 14.178 9.583 2.926 1.00 0.00 C ATOM 691 C GLY A 90 15.359 9.395 1.982 1.00 0.00 C ATOM 692 O GLY A 90 16.221 10.269 1.888 1.00 0.00 O ATOM 0 H GLY A 90 12.574 8.843 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.813 10.607 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.516 9.447 3.953 1.00 0.00 H new ATOM 696 N ILE A 91 15.401 8.257 1.284 1.00 0.00 N ATOM 697 CA ILE A 91 16.490 7.968 0.349 1.00 0.00 C ATOM 698 C ILE A 91 16.058 6.953 -0.709 1.00 0.00 C ATOM 699 O ILE A 91 15.470 5.919 -0.385 1.00 0.00 O ATOM 700 CB ILE A 91 17.744 7.436 1.091 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.882 7.161 0.095 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.408 6.181 1.891 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.804 6.032 0.509 1.00 0.00 C ATOM 0 H ILE A 91 14.696 7.523 1.349 1.00 0.00 H new ATOM 0 HA ILE A 91 16.743 8.907 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 91 18.079 8.202 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.451 6.926 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.470 8.070 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.302 5.826 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.637 6.413 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.044 5.406 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.580 5.901 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.266 6.272 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.230 5.110 0.604 1.00 0.00 H new ATOM 715 N LYS A 92 16.360 7.244 -1.977 1.00 0.00 N ATOM 716 CA LYS A 92 16.010 6.339 -3.075 1.00 0.00 C ATOM 717 C LYS A 92 16.897 5.097 -3.050 1.00 0.00 C ATOM 718 O LYS A 92 17.720 4.877 -3.941 1.00 0.00 O ATOM 719 CB LYS A 92 16.126 7.033 -4.437 1.00 0.00 C ATOM 720 CG LYS A 92 17.353 7.924 -4.589 1.00 0.00 C ATOM 721 CD LYS A 92 18.006 7.745 -5.953 1.00 0.00 C ATOM 722 CE LYS A 92 18.893 6.511 -5.990 1.00 0.00 C ATOM 723 NZ LYS A 92 19.898 6.588 -7.089 1.00 0.00 N ATOM 0 H LYS A 92 16.843 8.094 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 92 14.971 6.041 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.146 6.273 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.232 7.635 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.066 8.967 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.074 7.690 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.235 7.663 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.599 8.628 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.406 6.403 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.276 5.623 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.485 5.729 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.408 6.666 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 20.503 7.422 -6.948 1.00 0.00 H new ATOM 737 N TYR A 93 16.724 4.292 -2.014 1.00 0.00 N ATOM 738 CA TYR A 93 17.501 3.072 -1.849 1.00 0.00 C ATOM 739 C TYR A 93 16.937 1.938 -2.709 1.00 0.00 C ATOM 740 O TYR A 93 16.097 2.162 -3.580 1.00 0.00 O ATOM 741 CB TYR A 93 17.526 2.667 -0.371 1.00 0.00 C ATOM 742 CG TYR A 93 16.160 2.602 0.287 1.00 0.00 C ATOM 743 CD1 TYR A 93 15.091 1.978 -0.341 1.00 0.00 C ATOM 744 CD2 TYR A 93 15.944 3.166 1.539 1.00 0.00 C ATOM 745 CE1 TYR A 93 13.851 1.916 0.255 1.00 0.00 C ATOM 746 CE2 TYR A 93 14.700 3.107 2.142 1.00 0.00 C ATOM 747 CZ TYR A 93 13.658 2.480 1.493 1.00 0.00 C ATOM 748 OH TYR A 93 12.414 2.416 2.079 1.00 0.00 O ATOM 0 H TYR A 93 16.048 4.462 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 93 18.521 3.264 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.005 1.692 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.146 3.377 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.234 1.533 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.759 3.658 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.032 1.425 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 93 14.546 3.549 3.115 1.00 0.00 H new ATOM 0 HH TYR A 93 12.504 2.512 3.050 1.00 0.00 H new ATOM 758 N ASN A 94 17.395 0.717 -2.451 1.00 0.00 N ATOM 759 CA ASN A 94 16.932 -0.454 -3.189 1.00 0.00 C ATOM 760 C ASN A 94 15.398 -0.501 -3.247 1.00 0.00 C ATOM 761 O ASN A 94 14.723 -0.437 -2.213 1.00 0.00 O ATOM 762 CB ASN A 94 17.476 -1.720 -2.515 1.00 0.00 C ATOM 763 CG ASN A 94 16.895 -3.006 -3.079 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.310 -3.021 -4.165 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.056 -4.096 -2.347 1.00 0.00 N ATOM 0 H ASN A 94 18.090 0.512 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 94 17.301 -0.393 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.560 -1.742 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.264 -1.673 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.690 -4.990 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.546 -4.043 -1.454 1.00 0.00 H new ATOM 772 N THR A 95 14.854 -0.614 -4.456 1.00 0.00 N ATOM 773 CA THR A 95 13.400 -0.676 -4.647 1.00 0.00 C ATOM 774 C THR A 95 12.963 -2.049 -5.173 1.00 0.00 C ATOM 775 O THR A 95 11.895 -2.182 -5.772 1.00 0.00 O ATOM 776 CB THR A 95 12.931 0.430 -5.609 1.00 0.00 C ATOM 777 OG1 THR A 95 14.034 1.163 -6.132 1.00 0.00 O ATOM 778 CG2 THR A 95 11.982 1.408 -4.952 1.00 0.00 C ATOM 0 H THR A 95 15.394 -0.665 -5.320 1.00 0.00 H new ATOM 0 HA THR A 95 12.934 -0.520 -3.674 1.00 0.00 H new ATOM 0 HB THR A 95 12.405 -0.085 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.902 2.119 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.683 2.167 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.099 0.876 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.479 1.887 -4.109 1.00 0.00 H new ATOM 786 N THR A 96 13.796 -3.068 -4.950 1.00 0.00 N ATOM 787 CA THR A 96 13.505 -4.430 -5.413 1.00 0.00 C ATOM 788 C THR A 96 12.894 -5.291 -4.304 1.00 0.00 C ATOM 789 O THR A 96 13.520 -6.241 -3.828 1.00 0.00 O ATOM 790 CB THR A 96 14.786 -5.096 -5.940 1.00 0.00 C ATOM 791 OG1 THR A 96 15.744 -4.128 -6.337 1.00 0.00 O ATOM 792 CG2 THR A 96 14.542 -6.004 -7.125 1.00 0.00 C ATOM 0 H THR A 96 14.680 -2.977 -4.450 1.00 0.00 H new ATOM 0 HA THR A 96 12.774 -4.352 -6.218 1.00 0.00 H new ATOM 0 HB THR A 96 15.156 -5.693 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.290 -3.872 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 96 15.486 -6.442 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.852 -6.798 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.111 -5.427 -7.943 1.00 0.00 H new ATOM 800 N ARG A 97 11.665 -4.960 -3.903 1.00 0.00 N ATOM 801 CA ARG A 97 10.965 -5.713 -2.854 1.00 0.00 C ATOM 802 C ARG A 97 9.442 -5.565 -2.981 1.00 0.00 C ATOM 803 O ARG A 97 8.952 -4.749 -3.764 1.00 0.00 O ATOM 804 CB ARG A 97 11.424 -5.247 -1.467 1.00 0.00 C ATOM 805 CG ARG A 97 12.931 -5.341 -1.252 1.00 0.00 C ATOM 806 CD ARG A 97 13.326 -4.862 0.133 1.00 0.00 C ATOM 807 NE ARG A 97 14.462 -3.939 0.116 1.00 0.00 N ATOM 808 CZ ARG A 97 14.457 -2.747 -0.473 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.440 -2.361 -1.208 1.00 0.00 N ATOM 810 NH2 ARG A 97 15.476 -1.935 -0.321 1.00 0.00 N ATOM 0 H ARG A 97 11.133 -4.178 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 97 11.214 -6.767 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.109 -4.214 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.920 -5.846 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.255 -6.373 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.445 -4.744 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.472 -4.370 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.574 -5.724 0.753 1.00 0.00 H new ATOM 0 HE ARG A 97 15.317 -4.231 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.638 -2.979 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.452 -1.443 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.273 -2.218 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.471 -1.021 -0.773 1.00 0.00 H new ATOM 824 N ASN A 98 8.698 -6.356 -2.205 1.00 0.00 N ATOM 825 CA ASN A 98 7.231 -6.302 -2.237 1.00 0.00 C ATOM 826 C ASN A 98 6.664 -5.845 -0.894 1.00 0.00 C ATOM 827 O ASN A 98 7.112 -6.288 0.165 1.00 0.00 O ATOM 828 CB ASN A 98 6.633 -7.668 -2.602 1.00 0.00 C ATOM 829 CG ASN A 98 7.483 -8.450 -3.582 1.00 0.00 C ATOM 830 OD1 ASN A 98 7.822 -7.959 -4.653 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.835 -9.673 -3.219 1.00 0.00 N ATOM 0 H ASN A 98 9.082 -7.038 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 98 6.956 -5.577 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.505 -8.256 -1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.641 -7.521 -3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.409 -10.244 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.532 -10.045 -2.319 1.00 0.00 H new ATOM 838 N ALA A 99 5.669 -4.965 -0.949 1.00 0.00 N ATOM 839 CA ALA A 99 5.020 -4.446 0.250 1.00 0.00 C ATOM 840 C ALA A 99 3.612 -5.020 0.383 1.00 0.00 C ATOM 841 O ALA A 99 2.670 -4.544 -0.259 1.00 0.00 O ATOM 842 CB ALA A 99 4.984 -2.925 0.218 1.00 0.00 C ATOM 0 H ALA A 99 5.292 -4.593 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 99 5.598 -4.755 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.497 -2.554 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.002 -2.538 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.428 -2.593 -0.658 1.00 0.00 H new ATOM 848 N TYR A 100 3.478 -6.049 1.210 1.00 0.00 N ATOM 849 CA TYR A 100 2.189 -6.701 1.429 1.00 0.00 C ATOM 850 C TYR A 100 1.423 -6.019 2.559 1.00 0.00 C ATOM 851 O TYR A 100 1.873 -6.029 3.703 1.00 0.00 O ATOM 852 CB TYR A 100 2.390 -8.189 1.762 1.00 0.00 C ATOM 853 CG TYR A 100 3.560 -8.839 1.044 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.839 -8.822 1.594 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.387 -9.464 -0.183 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.908 -9.409 0.940 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.451 -10.052 -0.842 1.00 0.00 C ATOM 858 CZ TYR A 100 5.708 -10.021 -0.277 1.00 0.00 C ATOM 859 OH TYR A 100 6.767 -10.605 -0.936 1.00 0.00 O ATOM 0 H TYR A 100 4.248 -6.453 1.743 1.00 0.00 H new ATOM 0 HA TYR A 100 1.608 -6.616 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.537 -8.292 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.478 -8.732 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.000 -8.342 2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.405 -9.492 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.893 -9.387 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.298 -10.534 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 100 6.443 -11.358 -1.473 1.00 0.00 H new ATOM 869 N ARG A 101 0.270 -5.432 2.240 1.00 0.00 N ATOM 870 CA ARG A 101 -0.542 -4.756 3.257 1.00 0.00 C ATOM 871 C ARG A 101 -1.952 -5.344 3.334 1.00 0.00 C ATOM 872 O ARG A 101 -2.522 -5.757 2.323 1.00 0.00 O ATOM 873 CB ARG A 101 -0.619 -3.254 2.991 1.00 0.00 C ATOM 874 CG ARG A 101 -1.011 -2.455 4.225 1.00 0.00 C ATOM 875 CD ARG A 101 -1.024 -0.966 3.945 1.00 0.00 C ATOM 876 NE ARG A 101 0.229 -0.317 4.346 1.00 0.00 N ATOM 877 CZ ARG A 101 0.351 0.483 5.396 1.00 0.00 C ATOM 878 NH1 ARG A 101 -0.603 0.558 6.298 1.00 0.00 N ATOM 879 NH2 ARG A 101 1.467 1.152 5.588 1.00 0.00 N ATOM 0 H ARG A 101 -0.121 -5.409 1.298 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.051 -4.918 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.348 -2.904 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.343 -3.067 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.997 -2.770 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.312 -2.668 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.194 -0.799 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.857 -0.505 4.477 1.00 0.00 H new ATOM 0 HE ARG A 101 1.060 -0.493 3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.448 -0.003 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.498 1.177 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.239 1.055 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.560 1.767 6.396 1.00 0.00 H new ATOM 893 N GLU A 102 -2.503 -5.382 4.544 1.00 0.00 N ATOM 894 CA GLU A 102 -3.839 -5.929 4.769 1.00 0.00 C ATOM 895 C GLU A 102 -4.935 -4.864 4.631 1.00 0.00 C ATOM 896 O GLU A 102 -4.712 -3.676 4.898 1.00 0.00 O ATOM 897 CB GLU A 102 -3.908 -6.560 6.164 1.00 0.00 C ATOM 898 CG GLU A 102 -4.835 -7.764 6.250 1.00 0.00 C ATOM 899 CD GLU A 102 -4.093 -9.083 6.196 1.00 0.00 C ATOM 900 OE1 GLU A 102 -3.471 -9.463 7.212 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.129 -9.740 5.138 1.00 0.00 O ATOM 0 H GLU A 102 -2.043 -5.039 5.387 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.017 -6.684 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.905 -6.863 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.240 -5.806 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.406 -7.711 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.553 -7.723 5.431 1.00 0.00 H new ATOM 908 N CYS A 103 -6.124 -5.311 4.225 1.00 0.00 N ATOM 909 CA CYS A 103 -7.286 -4.439 4.055 1.00 0.00 C ATOM 910 C CYS A 103 -8.440 -4.930 4.928 1.00 0.00 C ATOM 911 O CYS A 103 -9.071 -5.947 4.626 1.00 0.00 O ATOM 912 CB CYS A 103 -7.722 -4.397 2.588 1.00 0.00 C ATOM 913 SG CYS A 103 -9.163 -3.327 2.269 1.00 0.00 S ATOM 0 H CYS A 103 -6.308 -6.290 4.004 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.008 -3.431 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.885 -4.051 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.956 -5.410 2.261 1.00 0.00 H new ATOM 918 N LEU A 104 -8.696 -4.205 6.016 1.00 0.00 N ATOM 919 CA LEU A 104 -9.760 -4.545 6.963 1.00 0.00 C ATOM 920 C LEU A 104 -11.060 -4.941 6.266 1.00 0.00 C ATOM 921 O LEU A 104 -11.445 -4.351 5.253 1.00 0.00 O ATOM 922 CB LEU A 104 -10.020 -3.361 7.899 1.00 0.00 C ATOM 923 CG LEU A 104 -9.303 -3.426 9.248 1.00 0.00 C ATOM 924 CD1 LEU A 104 -7.983 -2.671 9.192 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.190 -2.864 10.348 1.00 0.00 C ATOM 0 H LEU A 104 -8.173 -3.366 6.267 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.419 -5.409 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.721 -2.444 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.093 -3.290 8.079 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.090 -4.471 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.489 -2.730 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.342 -3.115 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.171 -1.627 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.665 -2.918 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.432 -1.825 10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.110 -3.446 10.407 1.00 0.00 H new ATOM 937 N GLU A 105 -11.751 -5.922 6.847 1.00 0.00 N ATOM 938 CA GLU A 105 -13.036 -6.387 6.318 1.00 0.00 C ATOM 939 C GLU A 105 -14.008 -5.216 6.157 1.00 0.00 C ATOM 940 O GLU A 105 -14.923 -5.266 5.335 1.00 0.00 O ATOM 941 CB GLU A 105 -13.658 -7.462 7.233 1.00 0.00 C ATOM 942 CG GLU A 105 -13.343 -7.308 8.724 1.00 0.00 C ATOM 943 CD GLU A 105 -13.544 -5.896 9.244 1.00 0.00 C ATOM 944 OE1 GLU A 105 -14.699 -5.530 9.537 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.545 -5.154 9.349 1.00 0.00 O ATOM 0 H GLU A 105 -11.442 -6.412 7.687 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.850 -6.831 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.740 -7.446 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.312 -8.442 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.976 -7.989 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.310 -7.608 8.902 1.00 0.00 H new ATOM 952 N ASN A 106 -13.793 -4.159 6.943 1.00 0.00 N ATOM 953 CA ASN A 106 -14.636 -2.967 6.889 1.00 0.00 C ATOM 954 C ASN A 106 -14.325 -2.104 5.655 1.00 0.00 C ATOM 955 O ASN A 106 -15.065 -1.170 5.350 1.00 0.00 O ATOM 956 CB ASN A 106 -14.460 -2.142 8.172 1.00 0.00 C ATOM 957 CG ASN A 106 -15.715 -2.104 9.019 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.386 -1.079 9.105 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.040 -3.217 9.659 1.00 0.00 N ATOM 0 H ASN A 106 -13.038 -4.106 7.627 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.672 -3.295 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.643 -2.561 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.174 -1.124 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.873 -3.242 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.458 -4.049 9.563 1.00 0.00 H new ATOM 966 N GLY A 107 -13.232 -2.420 4.945 1.00 0.00 N ATOM 967 CA GLY A 107 -12.864 -1.657 3.756 1.00 0.00 C ATOM 968 C GLY A 107 -11.654 -0.752 3.960 1.00 0.00 C ATOM 969 O GLY A 107 -11.135 -0.187 2.996 1.00 0.00 O ATOM 0 H GLY A 107 -12.600 -3.187 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.655 -2.350 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.714 -1.048 3.448 1.00 0.00 H new ATOM 973 N THR A 108 -11.206 -0.607 5.209 1.00 0.00 N ATOM 974 CA THR A 108 -10.050 0.243 5.521 1.00 0.00 C ATOM 975 C THR A 108 -8.734 -0.508 5.308 1.00 0.00 C ATOM 976 O THR A 108 -8.727 -1.679 4.924 1.00 0.00 O ATOM 977 CB THR A 108 -10.129 0.750 6.964 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.809 -0.288 7.871 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.492 1.285 7.348 1.00 0.00 C ATOM 0 H THR A 108 -11.623 -1.065 6.020 1.00 0.00 H new ATOM 0 HA THR A 108 -10.074 1.094 4.841 1.00 0.00 H new ATOM 0 HB THR A 108 -9.412 1.569 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.862 0.052 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.471 1.625 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.752 2.120 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.236 0.496 7.241 1.00 0.00 H new ATOM 987 N TRP A 109 -7.618 0.176 5.560 1.00 0.00 N ATOM 988 CA TRP A 109 -6.295 -0.424 5.394 1.00 0.00 C ATOM 989 C TRP A 109 -5.633 -0.703 6.739 1.00 0.00 C ATOM 990 O TRP A 109 -5.877 -0.001 7.722 1.00 0.00 O ATOM 991 CB TRP A 109 -5.407 0.495 4.554 1.00 0.00 C ATOM 992 CG TRP A 109 -5.857 0.598 3.132 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.505 1.647 2.547 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.702 -0.397 2.120 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.755 1.367 1.226 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.274 0.113 0.941 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.131 -1.674 2.097 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -6.292 -0.608 -0.246 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.148 -2.389 0.916 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.726 -1.854 -0.243 1.00 0.00 C ATOM 0 H TRP A 109 -7.604 1.145 5.879 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.422 -1.377 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.398 1.490 5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.382 0.124 4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.781 2.563 3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.221 1.988 0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.685 -2.093 2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.738 -0.199 -1.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.709 -3.375 0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.725 -2.437 -1.152 1.00 0.00 H new ATOM 1011 N ALA A 110 -4.787 -1.735 6.771 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.076 -2.114 7.989 1.00 0.00 C ATOM 1013 C ALA A 110 -2.587 -1.771 7.886 1.00 0.00 C ATOM 1014 O ALA A 110 -2.126 -1.279 6.852 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.268 -3.599 8.262 1.00 0.00 C ATOM 0 H ALA A 110 -4.579 -2.323 5.964 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.491 -1.546 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.735 -3.874 9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.330 -3.812 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.877 -4.176 7.424 1.00 0.00 H new ATOM 1021 N SER A 111 -1.839 -2.029 8.961 1.00 0.00 N ATOM 1022 CA SER A 111 -0.401 -1.742 8.988 1.00 0.00 C ATOM 1023 C SER A 111 0.448 -3.021 8.903 1.00 0.00 C ATOM 1024 O SER A 111 1.652 -2.986 9.167 1.00 0.00 O ATOM 1025 CB SER A 111 -0.046 -0.969 10.259 1.00 0.00 C ATOM 1026 OG SER A 111 -0.131 -1.804 11.403 1.00 0.00 O ATOM 0 H SER A 111 -2.203 -2.435 9.823 1.00 0.00 H new ATOM 0 HA SER A 111 -0.174 -1.137 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.963 -0.565 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.720 -0.120 10.373 1.00 0.00 H new ATOM 0 HG SER A 111 0.102 -1.288 12.203 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.175 -4.142 8.527 1.00 0.00 N ATOM 1033 CA ARG A 112 0.536 -5.418 8.405 1.00 0.00 C ATOM 1034 C ARG A 112 1.433 -5.425 7.165 1.00 0.00 C ATOM 1035 O ARG A 112 1.144 -6.121 6.192 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.472 -6.572 8.330 1.00 0.00 C ATOM 1037 CG ARG A 112 0.130 -7.941 8.615 1.00 0.00 C ATOM 1038 CD ARG A 112 -0.805 -9.053 8.165 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.179 -10.377 8.242 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.748 -11.499 7.807 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.973 -11.486 7.316 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.095 -12.641 7.886 1.00 0.00 N ATOM 0 H ARG A 112 -1.169 -4.192 8.302 1.00 0.00 H new ATOM 0 HA ARG A 112 1.166 -5.547 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.276 -6.385 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.922 -6.584 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.087 -8.035 8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.330 -8.039 9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.702 -9.042 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.123 -8.864 7.140 1.00 0.00 H new ATOM 0 HE ARG A 112 0.751 -10.442 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.494 -10.610 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.399 -12.352 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.845 -12.665 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.530 -13.501 7.553 1.00 0.00 H new ATOM 1056 N VAL A 113 2.515 -4.644 7.204 1.00 0.00 N ATOM 1057 CA VAL A 113 3.445 -4.559 6.072 1.00 0.00 C ATOM 1058 C VAL A 113 4.862 -4.995 6.450 1.00 0.00 C ATOM 1059 O VAL A 113 5.556 -4.308 7.204 1.00 0.00 O ATOM 1060 CB VAL A 113 3.516 -3.126 5.483 1.00 0.00 C ATOM 1061 CG1 VAL A 113 2.331 -2.855 4.573 1.00 0.00 C ATOM 1062 CG2 VAL A 113 3.593 -2.080 6.587 1.00 0.00 C ATOM 0 H VAL A 113 2.769 -4.063 8.003 1.00 0.00 H new ATOM 0 HA VAL A 113 3.047 -5.242 5.321 1.00 0.00 H new ATOM 0 HB VAL A 113 4.427 -3.057 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.404 -1.844 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.332 -3.572 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.406 -2.955 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.642 -1.086 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.708 -2.152 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.485 -2.252 7.190 1.00 0.00 H new ATOM 1072 N ASN A 114 5.302 -6.127 5.896 1.00 0.00 N ATOM 1073 CA ASN A 114 6.653 -6.637 6.153 1.00 0.00 C ATOM 1074 C ASN A 114 7.668 -5.938 5.237 1.00 0.00 C ATOM 1075 O ASN A 114 8.426 -6.584 4.511 1.00 0.00 O ATOM 1076 CB ASN A 114 6.696 -8.159 5.939 1.00 0.00 C ATOM 1077 CG ASN A 114 7.772 -8.839 6.767 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.711 -9.423 6.225 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.651 -8.767 8.084 1.00 0.00 N ATOM 0 H ASN A 114 4.745 -6.707 5.268 1.00 0.00 H new ATOM 0 HA ASN A 114 6.917 -6.424 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.725 -8.585 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.870 -8.368 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.350 -9.204 8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.859 -8.274 8.497 1.00 0.00 H new ATOM 1086 N TYR A 115 7.663 -4.604 5.272 1.00 0.00 N ATOM 1087 CA TYR A 115 8.566 -3.808 4.438 1.00 0.00 C ATOM 1088 C TYR A 115 9.891 -3.489 5.146 1.00 0.00 C ATOM 1089 O TYR A 115 10.758 -2.829 4.565 1.00 0.00 O ATOM 1090 CB TYR A 115 7.864 -2.515 4.000 1.00 0.00 C ATOM 1091 CG TYR A 115 7.863 -1.424 5.052 1.00 0.00 C ATOM 1092 CD1 TYR A 115 6.901 -1.397 6.053 1.00 0.00 C ATOM 1093 CD2 TYR A 115 8.827 -0.423 5.042 1.00 0.00 C ATOM 1094 CE1 TYR A 115 6.901 -0.403 7.015 1.00 0.00 C ATOM 1095 CE2 TYR A 115 8.833 0.572 6.002 1.00 0.00 C ATOM 1096 CZ TYR A 115 7.869 0.576 6.983 1.00 0.00 C ATOM 1097 OH TYR A 115 7.875 1.561 7.940 1.00 0.00 O ATOM 0 H TYR A 115 7.045 -4.053 5.868 1.00 0.00 H new ATOM 0 HA TYR A 115 8.815 -4.405 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.350 -2.137 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.833 -2.747 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.141 -2.164 6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.584 -0.422 4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.146 -0.395 7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.590 1.342 5.982 1.00 0.00 H new ATOM 0 HH TYR A 115 6.967 1.913 8.053 1.00 0.00 H new ATOM 1107 N SER A 116 10.057 -3.964 6.385 1.00 0.00 N ATOM 1108 CA SER A 116 11.289 -3.724 7.150 1.00 0.00 C ATOM 1109 C SER A 116 12.546 -4.083 6.342 1.00 0.00 C ATOM 1110 O SER A 116 13.628 -3.565 6.609 1.00 0.00 O ATOM 1111 CB SER A 116 11.265 -4.522 8.458 1.00 0.00 C ATOM 1112 OG SER A 116 10.312 -3.987 9.363 1.00 0.00 O ATOM 0 H SER A 116 9.356 -4.516 6.880 1.00 0.00 H new ATOM 0 HA SER A 116 11.331 -2.658 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.027 -5.565 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.254 -4.507 8.915 1.00 0.00 H new ATOM 0 HG SER A 116 10.314 -4.514 10.189 1.00 0.00 H new ATOM 1118 N HIS A 117 12.393 -4.967 5.351 1.00 0.00 N ATOM 1119 CA HIS A 117 13.515 -5.389 4.504 1.00 0.00 C ATOM 1120 C HIS A 117 13.930 -4.300 3.497 1.00 0.00 C ATOM 1121 O HIS A 117 14.867 -4.504 2.717 1.00 0.00 O ATOM 1122 CB HIS A 117 13.150 -6.675 3.747 1.00 0.00 C ATOM 1123 CG HIS A 117 12.444 -7.695 4.587 1.00 0.00 C ATOM 1124 ND1 HIS A 117 13.093 -8.506 5.491 1.00 0.00 N ATOM 1125 CD2 HIS A 117 11.135 -8.026 4.660 1.00 0.00 C ATOM 1126 CE1 HIS A 117 12.211 -9.295 6.085 1.00 0.00 C ATOM 1127 NE2 HIS A 117 11.015 -9.022 5.598 1.00 0.00 N ATOM 0 H HIS A 117 11.503 -5.405 5.115 1.00 0.00 H new ATOM 0 HA HIS A 117 14.363 -5.571 5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.517 -6.418 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.060 -7.118 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.332 -7.588 4.086 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.432 -10.036 6.839 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.144 -9.476 5.873 1.00 0.00 H new ATOM 1136 N CYS A 118 13.235 -3.152 3.499 1.00 0.00 N ATOM 1137 CA CYS A 118 13.547 -2.057 2.570 1.00 0.00 C ATOM 1138 C CYS A 118 14.930 -1.445 2.848 1.00 0.00 C ATOM 1139 O CYS A 118 15.046 -0.280 3.236 1.00 0.00 O ATOM 1140 CB CYS A 118 12.461 -0.975 2.625 1.00 0.00 C ATOM 1141 SG CYS A 118 12.037 -0.278 0.996 1.00 0.00 S ATOM 0 H CYS A 118 12.457 -2.959 4.130 1.00 0.00 H new ATOM 0 HA CYS A 118 13.572 -2.481 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.562 -1.397 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.796 -0.170 3.279 1.00 0.00 H new ATOM 1146 N GLU A 119 15.967 -2.259 2.646 1.00 0.00 N ATOM 1147 CA GLU A 119 17.361 -1.857 2.863 1.00 0.00 C ATOM 1148 C GLU A 119 17.745 -0.608 2.066 1.00 0.00 C ATOM 1149 O GLU A 119 17.299 -0.423 0.929 1.00 0.00 O ATOM 1150 CB GLU A 119 18.293 -3.009 2.472 1.00 0.00 C ATOM 1151 CG GLU A 119 18.667 -3.912 3.638 1.00 0.00 C ATOM 1152 CD GLU A 119 19.298 -3.150 4.785 1.00 0.00 C ATOM 1153 OE1 GLU A 119 20.533 -2.974 4.772 1.00 0.00 O ATOM 1154 OE2 GLU A 119 18.554 -2.725 5.694 1.00 0.00 O ATOM 0 H GLU A 119 15.865 -3.222 2.325 1.00 0.00 H new ATOM 0 HA GLU A 119 17.466 -1.617 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.812 -3.608 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.203 -2.597 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.775 -4.426 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.360 -4.679 3.291 1.00 0.00 H new ATOM 1161 N PRO A 120 18.602 0.258 2.650 1.00 0.00 N ATOM 1162 CA PRO A 120 19.064 1.481 1.991 1.00 0.00 C ATOM 1163 C PRO A 120 20.148 1.209 0.938 1.00 0.00 C ATOM 1164 O PRO A 120 20.447 0.053 0.625 1.00 0.00 O ATOM 1165 CB PRO A 120 19.613 2.312 3.150 1.00 0.00 C ATOM 1166 CG PRO A 120 20.088 1.310 4.141 1.00 0.00 C ATOM 1167 CD PRO A 120 19.201 0.098 3.993 1.00 0.00 C ATOM 0 HA PRO A 120 18.268 1.978 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 120 20.425 2.961 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.843 2.956 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 120 21.131 1.051 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 120 20.031 1.710 5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 120 19.773 -0.827 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 120 18.437 0.065 4.770 1.00 0.00 H new ATOM 1175 N ILE A 121 20.725 2.280 0.388 1.00 0.00 N ATOM 1176 CA ILE A 121 21.765 2.160 -0.637 1.00 0.00 C ATOM 1177 C ILE A 121 22.748 3.338 -0.572 1.00 0.00 C ATOM 1178 O ILE A 121 23.970 3.098 -0.694 1.00 0.00 O ATOM 1179 CB ILE A 121 21.134 2.076 -2.052 1.00 0.00 C ATOM 1180 CG1 ILE A 121 20.680 0.643 -2.349 1.00 0.00 C ATOM 1181 CG2 ILE A 121 22.107 2.555 -3.124 1.00 0.00 C ATOM 1182 CD1 ILE A 121 21.822 -0.346 -2.471 1.00 0.00 C ATOM 0 H ILE A 121 20.489 3.241 0.636 1.00 0.00 H new ATOM 0 HA ILE A 121 22.316 1.240 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 121 20.265 2.734 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.008 0.313 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.106 0.638 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.634 2.483 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.382 3.592 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 121 23.002 1.933 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 121 21.423 -1.338 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 121 22.482 -0.041 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 121 22.383 -0.371 -1.537 1.00 0.00 H new TER 1194 ILE A 121