USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 917 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 60 LYS NZ :NH3+ 169:sc= 1.72 (180deg=0.0111) USER MOD Set 1.2: A 97 SER OG : rot 18:sc= 0.792 USER MOD Set 2.1: A 74 CYS SG : rot -22:sc= -0.12 USER MOD Set 2.2: A 78 THR OG1 : rot -28:sc= 2.09 USER MOD Set 3.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.0252 X(o=0.025,f=-0.29) USER MOD Single : A 54 MET CE :methyl -161:sc= -0.285 (180deg=-0.68) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -2.25! (180deg=-4.41!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.956 F(o=-4.2!,f=-0.96) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.025) USER MOD Single : A 75 LYS NZ :NH3+ 134:sc= -0.273 (180deg=-1.11!) USER MOD Single : A 76 MET CE :methyl -136:sc= -0.746 (180deg=-3.48!) USER MOD Single : A 77 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.6!) USER MOD Single : A 81 HIS : no HE2:sc= 0.235 K(o=0.24,f=-6.1!) USER MOD Single : A 89 TYR OH : rot 69:sc= 1.27 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.139 F(o=-1.2!,f=-0.14) USER MOD Single : A 92 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.1) USER MOD Single : A 93 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.024) USER MOD Single : A 96 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-3.7!) USER MOD Single : A 102 SER OG : rot -55:sc= 1.24 USER MOD Single : A 106 CYS SG : rot -19:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.13 K(o=1.1,f=-0.15) USER MOD Single : A 110 SER OG : rot -87:sc= 0.942 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= 1.34 (180deg=1.16) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0577 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -11.7! C(o=-12!,f=-13!) USER MOD Single : A 131 CYS SG : rot 144:sc= -0.505 USER MOD Single : A 132 THR OG1 : rot 77:sc= 0.123 USER MOD Single : A 135 LYS NZ :NH3+ -119:sc= 0.0877 (180deg=-2.02) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.103 F(o=-0.44,f=0.1) USER MOD Single : A 138 SER OG : rot -52:sc= 0.213! USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.51) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.846 K(o=-0.85,f=-5.5!) USER MOD Single : B 27 SER OG : rot 107:sc= 1.36 USER MOD Single : B 29 SER OG : rot 114:sc= 1.15 USER MOD Single : B 33 GLN : amide:sc= 0.463 X(o=0.46,f=-0.022) USER MOD Single : B 34 TYR OH : rot 14:sc= 0.261 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -17.873 3.950 11.840 1.00 10.57 N ATOM 2 CA GLY A 51 -17.517 2.538 11.557 1.00 9.93 C ATOM 3 C GLY A 51 -18.746 1.682 11.344 1.00 9.27 C ATOM 4 O GLY A 51 -19.360 1.730 10.275 1.00 9.29 O ATOM 0 HA2 GLY A 51 -16.884 2.493 10.671 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -16.934 2.137 12.386 1.00 9.93 H new ATOM 10 N SER A 52 -19.121 0.916 12.360 1.00 8.95 N ATOM 11 CA SER A 52 -20.306 0.063 12.291 1.00 8.59 C ATOM 12 C SER A 52 -21.587 0.891 12.418 1.00 7.80 C ATOM 13 O SER A 52 -22.418 0.655 13.297 1.00 7.91 O ATOM 14 CB SER A 52 -20.246 -0.988 13.395 1.00 9.23 C ATOM 15 OG SER A 52 -19.009 -1.676 13.360 1.00 9.51 O ATOM 0 H SER A 52 -18.620 0.866 13.247 1.00 8.95 H new ATOM 0 HA SER A 52 -20.321 -0.432 11.320 1.00 8.59 H new ATOM 0 HB2 SER A 52 -20.376 -0.511 14.366 1.00 9.23 H new ATOM 0 HB3 SER A 52 -21.066 -1.696 13.276 1.00 9.23 H new ATOM 0 HG SER A 52 -18.986 -2.345 14.076 1.00 9.51 H new ATOM 21 N HIS A 53 -21.725 1.872 11.538 1.00 7.28 N ATOM 22 CA HIS A 53 -22.872 2.771 11.540 1.00 6.80 C ATOM 23 C HIS A 53 -23.351 3.001 10.115 1.00 5.91 C ATOM 24 O HIS A 53 -24.523 3.278 9.875 1.00 6.03 O ATOM 25 CB HIS A 53 -22.506 4.112 12.189 1.00 7.25 C ATOM 26 CG HIS A 53 -22.000 3.988 13.593 1.00 7.97 C ATOM 27 ND1 HIS A 53 -20.653 3.982 13.872 1.00 8.46 N ATOM 28 CD2 HIS A 53 -22.693 3.867 14.751 1.00 8.53 C ATOM 29 CE1 HIS A 53 -20.559 3.856 15.186 1.00 9.23 C ATOM 30 NE2 HIS A 53 -21.768 3.784 15.757 1.00 9.30 N ATOM 0 H HIS A 53 -21.046 2.068 10.803 1.00 7.28 H new ATOM 0 HA HIS A 53 -23.672 2.311 12.120 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -21.746 4.603 11.581 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -23.384 4.758 12.185 1.00 7.25 H new ATOM 0 HD1 HIS A 53 -19.886 4.059 13.204 1.00 8.46 H new ATOM 0 HD2 HIS A 53 -23.767 3.841 14.859 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -19.626 3.816 15.729 1.00 9.23 H new ATOM 38 N MET A 54 -22.428 2.881 9.172 1.00 5.30 N ATOM 39 CA MET A 54 -22.739 3.045 7.762 1.00 4.57 C ATOM 40 C MET A 54 -21.901 2.075 6.936 1.00 4.14 C ATOM 41 O MET A 54 -20.717 1.882 7.208 1.00 4.31 O ATOM 42 CB MET A 54 -22.485 4.492 7.311 1.00 4.58 C ATOM 43 CG MET A 54 -21.021 4.929 7.361 1.00 4.17 C ATOM 44 SD MET A 54 -20.365 5.097 9.040 1.00 4.68 S ATOM 45 CE MET A 54 -21.333 6.478 9.643 1.00 5.36 C ATOM 0 H MET A 54 -21.449 2.669 9.362 1.00 5.30 H new ATOM 0 HA MET A 54 -23.796 2.826 7.608 1.00 4.57 H new ATOM 0 HB2 MET A 54 -22.850 4.610 6.291 1.00 4.58 H new ATOM 0 HB3 MET A 54 -23.072 5.162 7.939 1.00 4.58 H new ATOM 0 HG2 MET A 54 -20.416 4.204 6.816 1.00 4.17 H new ATOM 0 HG3 MET A 54 -20.919 5.883 6.844 1.00 4.17 H new ATOM 0 HE1 MET A 54 -20.838 6.919 10.508 1.00 5.36 H new ATOM 0 HE2 MET A 54 -21.427 7.227 8.857 1.00 5.36 H new ATOM 0 HE3 MET A 54 -22.324 6.129 9.932 1.00 5.36 H new ATOM 55 N GLY A 55 -22.523 1.441 5.954 1.00 4.00 N ATOM 56 CA GLY A 55 -21.818 0.478 5.128 1.00 3.88 C ATOM 57 C GLY A 55 -21.572 0.981 3.724 1.00 3.32 C ATOM 58 O GLY A 55 -20.922 0.317 2.919 1.00 3.61 O ATOM 0 H GLY A 55 -23.505 1.575 5.712 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -20.863 0.235 5.595 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -22.394 -0.446 5.082 1.00 3.88 H new ATOM 62 N LYS A 56 -22.107 2.146 3.426 1.00 2.94 N ATOM 63 CA LYS A 56 -21.995 2.719 2.089 1.00 2.69 C ATOM 64 C LYS A 56 -20.969 3.846 2.031 1.00 2.34 C ATOM 65 O LYS A 56 -21.058 4.733 1.181 1.00 2.48 O ATOM 66 CB LYS A 56 -23.352 3.234 1.622 1.00 2.93 C ATOM 67 CG LYS A 56 -23.979 4.235 2.576 1.00 3.20 C ATOM 68 CD LYS A 56 -25.230 4.877 1.986 1.00 3.88 C ATOM 69 CE LYS A 56 -26.436 3.938 1.993 1.00 4.35 C ATOM 70 NZ LYS A 56 -26.235 2.727 1.149 1.00 4.58 N ATOM 0 H LYS A 56 -22.626 2.721 4.089 1.00 2.94 H new ATOM 0 HA LYS A 56 -21.654 1.925 1.425 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -23.238 3.699 0.643 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -24.029 2.389 1.497 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -24.234 3.735 3.511 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -23.252 5.011 2.817 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -25.472 5.777 2.551 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -25.024 5.190 0.962 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -26.644 3.630 3.018 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -27.313 4.479 1.639 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -27.141 2.448 0.720 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -25.547 2.937 0.398 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -25.877 1.949 1.738 1.00 4.58 H new ATOM 84 N LYS A 57 -20.012 3.822 2.945 1.00 2.10 N ATOM 85 CA LYS A 57 -18.896 4.757 2.898 1.00 1.85 C ATOM 86 C LYS A 57 -18.103 4.578 1.617 1.00 1.54 C ATOM 87 O LYS A 57 -17.799 3.457 1.219 1.00 1.68 O ATOM 88 CB LYS A 57 -17.966 4.580 4.093 1.00 1.99 C ATOM 89 CG LYS A 57 -18.343 5.412 5.294 1.00 1.98 C ATOM 90 CD LYS A 57 -18.545 6.873 4.934 1.00 2.02 C ATOM 91 CE LYS A 57 -18.722 7.727 6.177 1.00 2.40 C ATOM 92 NZ LYS A 57 -18.960 9.153 5.842 1.00 3.04 N ATOM 0 H LYS A 57 -19.984 3.168 3.727 1.00 2.10 H new ATOM 0 HA LYS A 57 -19.317 5.762 2.930 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -17.957 3.529 4.381 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -16.951 4.836 3.791 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -19.258 5.018 5.735 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -17.563 5.330 6.051 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -17.688 7.231 4.363 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -19.421 6.974 4.293 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -19.560 7.347 6.762 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -17.833 7.645 6.803 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.075 9.701 6.718 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -18.149 9.524 5.306 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -19.822 9.235 5.266 1.00 3.04 H new ATOM 106 N CYS A 58 -17.764 5.685 0.985 1.00 1.34 N ATOM 107 CA CYS A 58 -17.039 5.641 -0.268 1.00 1.07 C ATOM 108 C CYS A 58 -15.880 6.627 -0.247 1.00 0.85 C ATOM 109 O CYS A 58 -16.079 7.840 -0.260 1.00 1.07 O ATOM 110 CB CYS A 58 -17.978 5.948 -1.430 1.00 1.26 C ATOM 111 SG CYS A 58 -17.268 5.607 -3.058 1.00 1.99 S ATOM 0 H CYS A 58 -17.979 6.624 1.319 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.634 4.638 -0.402 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.889 5.362 -1.312 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -18.266 6.998 -1.383 1.00 1.26 H new ATOM 0 HG CYS A 58 -18.138 5.896 -3.980 1.00 1.99 H new ATOM 117 N TYR A 59 -14.671 6.091 -0.183 1.00 0.57 N ATOM 118 CA TYR A 59 -13.464 6.904 -0.164 1.00 0.44 C ATOM 119 C TYR A 59 -12.588 6.556 -1.355 1.00 0.41 C ATOM 120 O TYR A 59 -11.397 6.852 -1.362 1.00 0.42 O ATOM 121 CB TYR A 59 -12.686 6.691 1.143 1.00 0.66 C ATOM 122 CG TYR A 59 -13.387 7.234 2.359 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.537 6.634 2.814 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.903 8.338 3.046 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.204 7.109 3.922 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.558 8.826 4.161 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.712 8.207 4.595 1.00 1.34 C ATOM 128 OH TYR A 59 -15.372 8.684 5.704 1.00 1.64 O ATOM 0 H TYR A 59 -14.499 5.086 -0.143 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.752 7.954 -0.225 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.511 5.624 1.282 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.709 7.166 1.055 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.926 5.772 2.292 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.001 8.823 2.704 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.107 6.624 4.261 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.170 9.685 4.688 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.893 9.461 6.060 1.00 1.64 H new ATOM 138 N LYS A 60 -13.207 5.937 -2.363 1.00 0.42 N ATOM 139 CA LYS A 60 -12.491 5.395 -3.517 1.00 0.43 C ATOM 140 C LYS A 60 -11.584 6.437 -4.159 1.00 0.40 C ATOM 141 O LYS A 60 -10.371 6.269 -4.168 1.00 0.41 O ATOM 142 CB LYS A 60 -13.485 4.840 -4.545 1.00 0.52 C ATOM 143 CG LYS A 60 -12.829 4.170 -5.744 1.00 1.16 C ATOM 144 CD LYS A 60 -13.847 3.392 -6.565 1.00 1.35 C ATOM 145 CE LYS A 60 -13.268 2.894 -7.885 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.045 2.068 -7.702 1.00 2.29 N ATOM 0 H LYS A 60 -14.217 5.798 -2.401 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.856 4.583 -3.163 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.137 4.120 -4.052 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.118 5.654 -4.898 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.353 4.925 -6.370 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.042 3.497 -5.403 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.205 2.542 -5.984 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.710 4.027 -6.766 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.022 2.307 -8.409 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.032 3.749 -8.519 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.801 1.605 -8.601 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -11.257 2.676 -7.401 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.220 1.344 -6.976 1.00 2.29 H new ATOM 160 N LEU A 61 -12.176 7.522 -4.655 1.00 0.45 N ATOM 161 CA LEU A 61 -11.428 8.590 -5.316 1.00 0.49 C ATOM 162 C LEU A 61 -10.237 9.026 -4.468 1.00 0.38 C ATOM 163 O LEU A 61 -9.128 9.205 -4.969 1.00 0.41 O ATOM 164 CB LEU A 61 -12.337 9.800 -5.584 1.00 0.62 C ATOM 165 CG LEU A 61 -12.991 10.433 -4.346 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.363 11.880 -4.621 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.225 9.657 -3.918 1.00 0.81 C ATOM 0 H LEU A 61 -13.182 7.685 -4.611 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.061 8.200 -6.265 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.751 10.565 -6.093 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.126 9.493 -6.271 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.264 10.399 -3.534 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.825 12.312 -3.733 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.466 12.445 -4.874 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.066 11.923 -5.453 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.665 10.129 -3.040 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.952 9.652 -4.730 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.944 8.632 -3.676 1.00 0.81 H new ATOM 179 N GLU A 62 -10.489 9.174 -3.179 1.00 0.33 N ATOM 180 CA GLU A 62 -9.480 9.570 -2.223 1.00 0.30 C ATOM 181 C GLU A 62 -8.288 8.632 -2.205 1.00 0.26 C ATOM 182 O GLU A 62 -7.163 9.076 -2.385 1.00 0.32 O ATOM 183 CB GLU A 62 -10.126 9.666 -0.850 1.00 0.41 C ATOM 184 CG GLU A 62 -10.870 10.963 -0.691 1.00 0.50 C ATOM 185 CD GLU A 62 -11.717 11.028 0.557 1.00 1.29 C ATOM 186 OE1 GLU A 62 -12.630 10.194 0.700 1.00 2.00 O ATOM 187 OE2 GLU A 62 -11.501 11.945 1.378 1.00 1.51 O ATOM 0 H GLU A 62 -11.409 9.020 -2.767 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.085 10.542 -2.520 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.811 8.830 -0.708 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.361 9.585 -0.078 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.153 11.784 -0.676 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.509 11.114 -1.561 1.00 0.50 H new ATOM 194 N ASN A 63 -8.527 7.342 -2.028 1.00 0.24 N ATOM 195 CA ASN A 63 -7.426 6.392 -1.886 1.00 0.23 C ATOM 196 C ASN A 63 -6.759 6.098 -3.222 1.00 0.21 C ATOM 197 O ASN A 63 -5.593 5.702 -3.261 1.00 0.22 O ATOM 198 CB ASN A 63 -7.870 5.088 -1.215 1.00 0.33 C ATOM 199 CG ASN A 63 -8.954 4.344 -1.960 1.00 1.10 C ATOM 200 OD1 ASN A 63 -10.178 4.501 -1.505 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.687 3.605 -2.904 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.459 6.929 -1.979 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.693 6.869 -1.235 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -7.004 4.435 -1.109 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.225 5.313 -0.209 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.723 3.514 -3.223 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.430 3.082 -3.369 1.00 0.90 H new ATOM 208 N GLU A 64 -7.477 6.304 -4.316 1.00 0.23 N ATOM 209 CA GLU A 64 -6.900 6.124 -5.634 1.00 0.29 C ATOM 210 C GLU A 64 -5.838 7.187 -5.893 1.00 0.29 C ATOM 211 O GLU A 64 -4.764 6.888 -6.409 1.00 0.35 O ATOM 212 CB GLU A 64 -7.991 6.173 -6.700 1.00 0.38 C ATOM 213 CG GLU A 64 -9.067 5.126 -6.496 1.00 0.41 C ATOM 214 CD GLU A 64 -10.034 5.019 -7.659 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.663 6.041 -8.007 1.00 0.69 O ATOM 216 OE2 GLU A 64 -10.154 3.923 -8.248 1.00 0.88 O ATOM 0 H GLU A 64 -8.455 6.594 -4.315 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.423 5.145 -5.681 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.449 7.162 -6.697 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.538 6.034 -7.682 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.594 4.157 -6.336 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.625 5.362 -5.590 1.00 0.41 H new ATOM 223 N LYS A 65 -6.145 8.425 -5.529 1.00 0.27 N ATOM 224 CA LYS A 65 -5.177 9.516 -5.624 1.00 0.30 C ATOM 225 C LYS A 65 -4.153 9.404 -4.504 1.00 0.23 C ATOM 226 O LYS A 65 -2.978 9.712 -4.676 1.00 0.30 O ATOM 227 CB LYS A 65 -5.881 10.862 -5.529 1.00 0.39 C ATOM 228 CG LYS A 65 -7.106 10.968 -6.402 1.00 0.65 C ATOM 229 CD LYS A 65 -7.845 12.277 -6.173 1.00 1.23 C ATOM 230 CE LYS A 65 -9.120 12.350 -6.995 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.850 12.434 -8.454 1.00 2.98 N ATOM 0 H LYS A 65 -7.057 8.702 -5.165 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.673 9.444 -6.588 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.168 11.040 -4.493 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.180 11.649 -5.805 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.815 10.893 -7.450 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.774 10.132 -6.196 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.087 12.379 -5.115 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.195 13.113 -6.433 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -9.731 11.471 -6.791 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.700 13.220 -6.685 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.746 12.567 -8.966 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -8.220 13.239 -8.645 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.396 11.555 -8.774 1.00 2.98 H new ATOM 245 N LEU A 66 -4.634 8.969 -3.356 1.00 0.16 N ATOM 246 CA LEU A 66 -3.822 8.820 -2.156 1.00 0.15 C ATOM 247 C LEU A 66 -2.661 7.862 -2.361 1.00 0.15 C ATOM 248 O LEU A 66 -1.531 8.142 -1.965 1.00 0.18 O ATOM 249 CB LEU A 66 -4.711 8.315 -1.035 1.00 0.15 C ATOM 250 CG LEU A 66 -4.770 9.228 0.160 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.053 9.014 0.947 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.539 8.994 1.003 1.00 0.22 C ATOM 0 H LEU A 66 -5.610 8.705 -3.225 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.394 9.791 -1.908 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.720 8.174 -1.421 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.353 7.337 -0.714 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.782 10.268 -0.165 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.070 9.686 1.805 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -6.911 9.221 0.307 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.099 7.982 1.294 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.565 9.648 1.874 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.514 7.955 1.330 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.648 9.210 0.414 1.00 0.22 H new ATOM 264 N PHE A 67 -2.959 6.713 -2.938 1.00 0.14 N ATOM 265 CA PHE A 67 -1.940 5.728 -3.260 1.00 0.15 C ATOM 266 C PHE A 67 -0.827 6.360 -4.101 1.00 0.17 C ATOM 267 O PHE A 67 0.357 6.099 -3.876 1.00 0.20 O ATOM 268 CB PHE A 67 -2.569 4.547 -3.996 1.00 0.15 C ATOM 269 CG PHE A 67 -1.877 3.258 -3.708 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.780 2.858 -4.444 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.325 2.452 -2.680 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.140 1.667 -4.160 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.695 1.265 -2.389 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.598 0.868 -3.129 1.00 0.19 C ATOM 0 H PHE A 67 -3.906 6.436 -3.196 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.497 5.365 -2.332 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.618 4.463 -3.712 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.544 4.737 -5.069 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.419 3.481 -5.249 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.181 2.758 -2.097 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.716 1.361 -4.742 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.057 0.644 -1.583 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.100 -0.063 -2.903 1.00 0.19 H new ATOM 284 N GLU A 68 -1.222 7.202 -5.053 1.00 0.18 N ATOM 285 CA GLU A 68 -0.278 7.971 -5.869 1.00 0.23 C ATOM 286 C GLU A 68 0.609 8.804 -4.980 1.00 0.19 C ATOM 287 O GLU A 68 1.823 8.811 -5.129 1.00 0.24 O ATOM 288 CB GLU A 68 -1.022 8.932 -6.784 1.00 0.40 C ATOM 289 CG GLU A 68 -2.212 8.326 -7.443 1.00 0.54 C ATOM 290 CD GLU A 68 -1.875 7.561 -8.708 1.00 1.13 C ATOM 291 OE1 GLU A 68 -0.764 7.000 -8.800 1.00 1.81 O ATOM 292 OE2 GLU A 68 -2.711 7.550 -9.638 1.00 1.39 O ATOM 0 H GLU A 68 -2.201 7.372 -5.282 1.00 0.18 H new ATOM 0 HA GLU A 68 0.307 7.262 -6.455 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -1.340 9.799 -6.205 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.337 9.294 -7.551 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.704 7.653 -6.741 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.926 9.114 -7.683 1.00 0.54 H new ATOM 299 N GLU A 69 -0.024 9.501 -4.044 1.00 0.19 N ATOM 300 CA GLU A 69 0.692 10.420 -3.147 1.00 0.22 C ATOM 301 C GLU A 69 1.859 9.709 -2.463 1.00 0.20 C ATOM 302 O GLU A 69 2.919 10.299 -2.240 1.00 0.28 O ATOM 303 CB GLU A 69 -0.239 10.997 -2.072 1.00 0.26 C ATOM 304 CG GLU A 69 -1.566 11.503 -2.606 1.00 0.34 C ATOM 305 CD GLU A 69 -2.331 12.331 -1.596 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.982 13.511 -1.401 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.288 11.803 -0.985 1.00 1.78 O ATOM 0 H GLU A 69 -1.030 9.452 -3.881 1.00 0.19 H new ATOM 0 HA GLU A 69 1.069 11.237 -3.762 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.431 10.229 -1.323 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.272 11.816 -1.566 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.388 12.102 -3.499 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.178 10.653 -2.909 1.00 0.34 H new ATOM 314 N PHE A 70 1.656 8.441 -2.140 1.00 0.15 N ATOM 315 CA PHE A 70 2.703 7.615 -1.556 1.00 0.13 C ATOM 316 C PHE A 70 3.732 7.231 -2.617 1.00 0.13 C ATOM 317 O PHE A 70 4.933 7.354 -2.405 1.00 0.14 O ATOM 318 CB PHE A 70 2.078 6.366 -0.944 1.00 0.12 C ATOM 319 CG PHE A 70 3.013 5.572 -0.075 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.152 5.013 -0.606 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.726 5.356 1.259 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.998 4.252 0.168 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.569 4.600 2.048 1.00 0.11 C ATOM 324 CZ PHE A 70 4.708 4.043 1.499 1.00 0.11 C ATOM 0 H PHE A 70 0.768 7.958 -2.274 1.00 0.15 H new ATOM 0 HA PHE A 70 3.214 8.180 -0.776 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.211 6.660 -0.352 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.713 5.725 -1.747 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.386 5.174 -1.648 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.832 5.783 1.689 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.887 3.820 -0.267 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.339 4.444 3.092 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.368 3.446 2.111 1.00 0.11 H new ATOM 334 N LEU A 71 3.249 6.780 -3.757 1.00 0.14 N ATOM 335 CA LEU A 71 4.098 6.298 -4.833 1.00 0.15 C ATOM 336 C LEU A 71 4.969 7.382 -5.422 1.00 0.16 C ATOM 337 O LEU A 71 6.148 7.171 -5.690 1.00 0.18 O ATOM 338 CB LEU A 71 3.215 5.727 -5.907 1.00 0.17 C ATOM 339 CG LEU A 71 2.580 4.416 -5.527 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.706 3.936 -6.647 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.670 3.427 -5.213 1.00 0.16 C ATOM 0 H LEU A 71 2.252 6.736 -3.966 1.00 0.14 H new ATOM 0 HA LEU A 71 4.769 5.543 -4.423 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.431 6.447 -6.143 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.803 5.588 -6.814 1.00 0.17 H new ATOM 0 HG LEU A 71 1.951 4.535 -4.645 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.247 2.987 -6.370 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.926 4.673 -6.841 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.308 3.799 -7.545 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.225 2.471 -4.936 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.303 3.292 -6.090 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.273 3.801 -4.385 1.00 0.16 H new ATOM 353 N GLU A 72 4.379 8.531 -5.632 1.00 0.16 N ATOM 354 CA GLU A 72 5.090 9.667 -6.173 1.00 0.19 C ATOM 355 C GLU A 72 6.176 10.100 -5.204 1.00 0.18 C ATOM 356 O GLU A 72 7.223 10.606 -5.603 1.00 0.21 O ATOM 357 CB GLU A 72 4.102 10.778 -6.478 1.00 0.24 C ATOM 358 CG GLU A 72 3.004 10.295 -7.408 1.00 0.29 C ATOM 359 CD GLU A 72 3.490 10.051 -8.818 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.984 11.003 -9.453 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.403 8.902 -9.292 1.00 1.17 O ATOM 0 H GLU A 72 3.394 8.708 -5.434 1.00 0.16 H new ATOM 0 HA GLU A 72 5.583 9.401 -7.108 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.662 11.142 -5.550 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.625 11.619 -6.934 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.579 9.373 -7.011 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.202 11.033 -7.428 1.00 0.29 H new ATOM 368 N LEU A 73 5.909 9.890 -3.924 1.00 0.16 N ATOM 369 CA LEU A 73 6.909 10.045 -2.892 1.00 0.16 C ATOM 370 C LEU A 73 7.943 8.926 -2.997 1.00 0.15 C ATOM 371 O LEU A 73 9.147 9.172 -2.931 1.00 0.18 O ATOM 372 CB LEU A 73 6.222 10.002 -1.530 1.00 0.16 C ATOM 373 CG LEU A 73 7.138 9.773 -0.336 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.481 11.086 0.345 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.476 8.810 0.627 1.00 0.16 C ATOM 0 H LEU A 73 4.992 9.608 -3.577 1.00 0.16 H new ATOM 0 HA LEU A 73 7.420 11.000 -3.013 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.690 10.942 -1.382 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.472 9.211 -1.546 1.00 0.16 H new ATOM 0 HG LEU A 73 8.075 9.336 -0.682 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.136 10.895 1.195 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.987 11.742 -0.363 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.566 11.565 0.693 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.130 8.644 1.483 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.530 9.230 0.969 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.291 7.861 0.123 1.00 0.16 H new ATOM 387 N CYS A 74 7.465 7.698 -3.187 1.00 0.13 N ATOM 388 CA CYS A 74 8.333 6.538 -3.276 1.00 0.13 C ATOM 389 C CYS A 74 9.320 6.685 -4.434 1.00 0.15 C ATOM 390 O CYS A 74 10.467 6.267 -4.323 1.00 0.18 O ATOM 391 CB CYS A 74 7.486 5.274 -3.437 1.00 0.16 C ATOM 392 SG CYS A 74 8.404 3.736 -3.247 1.00 0.50 S ATOM 0 H CYS A 74 6.472 7.485 -3.282 1.00 0.13 H new ATOM 0 HA CYS A 74 8.913 6.459 -2.357 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.680 5.295 -2.703 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.020 5.286 -4.423 1.00 0.16 H new ATOM 0 HG CYS A 74 9.667 3.955 -3.461 1.00 0.50 H new ATOM 398 N LYS A 75 8.880 7.305 -5.530 1.00 0.18 N ATOM 399 CA LYS A 75 9.750 7.579 -6.666 1.00 0.22 C ATOM 400 C LYS A 75 10.987 8.379 -6.265 1.00 0.22 C ATOM 401 O LYS A 75 12.034 8.283 -6.903 1.00 0.26 O ATOM 402 CB LYS A 75 9.008 8.346 -7.745 1.00 0.28 C ATOM 403 CG LYS A 75 8.624 7.451 -8.892 1.00 0.57 C ATOM 404 CD LYS A 75 7.289 6.784 -8.666 1.00 0.61 C ATOM 405 CE LYS A 75 6.144 7.609 -9.229 1.00 0.38 C ATOM 406 NZ LYS A 75 6.329 7.903 -10.677 1.00 0.96 N ATOM 0 H LYS A 75 7.920 7.627 -5.651 1.00 0.18 H new ATOM 0 HA LYS A 75 10.068 6.609 -7.048 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.112 8.799 -7.320 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.634 9.160 -8.111 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.586 8.036 -9.811 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.391 6.689 -9.030 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.291 5.799 -9.133 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.136 6.630 -7.598 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.206 7.073 -9.085 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.065 8.545 -8.676 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.439 7.724 -11.184 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.601 8.900 -10.797 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 7.076 7.291 -11.063 1.00 0.96 H new ATOM 420 N MET A 76 10.859 9.164 -5.204 1.00 0.22 N ATOM 421 CA MET A 76 11.934 10.043 -4.772 1.00 0.26 C ATOM 422 C MET A 76 12.802 9.314 -3.770 1.00 0.25 C ATOM 423 O MET A 76 14.021 9.473 -3.731 1.00 0.32 O ATOM 424 CB MET A 76 11.379 11.310 -4.110 1.00 0.29 C ATOM 425 CG MET A 76 10.144 11.881 -4.775 1.00 0.27 C ATOM 426 SD MET A 76 9.634 13.456 -4.055 1.00 0.32 S ATOM 427 CE MET A 76 9.335 12.973 -2.358 1.00 0.35 C ATOM 0 H MET A 76 10.019 9.209 -4.627 1.00 0.22 H new ATOM 0 HA MET A 76 12.514 10.329 -5.649 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.145 11.087 -3.069 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.158 12.072 -4.105 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.339 12.018 -5.839 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.326 11.165 -4.690 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.406 13.424 -2.010 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.257 11.888 -2.297 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.160 13.313 -1.732 1.00 0.35 H new ATOM 437 N GLN A 77 12.146 8.502 -2.966 1.00 0.21 N ATOM 438 CA GLN A 77 12.794 7.812 -1.873 1.00 0.22 C ATOM 439 C GLN A 77 13.520 6.581 -2.387 1.00 0.21 C ATOM 440 O GLN A 77 14.739 6.458 -2.254 1.00 0.24 O ATOM 441 CB GLN A 77 11.745 7.394 -0.851 1.00 0.23 C ATOM 442 CG GLN A 77 10.788 8.500 -0.434 1.00 0.30 C ATOM 443 CD GLN A 77 11.400 9.538 0.481 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.601 9.812 0.435 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.565 10.122 1.323 1.00 0.48 N ATOM 0 H GLN A 77 11.149 8.303 -3.053 1.00 0.21 H new ATOM 0 HA GLN A 77 13.518 8.480 -1.408 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.166 6.567 -1.262 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.252 7.017 0.037 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.413 8.997 -1.329 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.929 8.052 0.066 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.578 9.863 1.325 1.00 0.48 H new ATOM 0 HE22 GLN A 77 10.907 10.832 1.971 1.00 0.48 H new ATOM 454 N THR A 78 12.767 5.683 -3.005 1.00 0.18 N ATOM 455 CA THR A 78 13.323 4.460 -3.542 1.00 0.20 C ATOM 456 C THR A 78 13.797 4.701 -4.966 1.00 0.22 C ATOM 457 O THR A 78 13.466 3.964 -5.889 1.00 0.24 O ATOM 458 CB THR A 78 12.290 3.316 -3.511 1.00 0.20 C ATOM 459 OG1 THR A 78 11.184 3.615 -4.373 1.00 0.56 O ATOM 460 CG2 THR A 78 11.782 3.106 -2.095 1.00 0.42 C ATOM 0 H THR A 78 11.762 5.784 -3.145 1.00 0.18 H new ATOM 0 HA THR A 78 14.168 4.162 -2.921 1.00 0.20 H new ATOM 0 HB THR A 78 12.778 2.406 -3.859 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.074 4.587 -4.438 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.053 2.296 -2.086 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.617 2.850 -1.443 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.311 4.022 -1.738 1.00 0.42 H new ATOM 468 N ALA A 79 14.559 5.764 -5.130 1.00 0.25 N ATOM 469 CA ALA A 79 15.088 6.142 -6.425 1.00 0.30 C ATOM 470 C ALA A 79 16.193 5.183 -6.853 1.00 0.34 C ATOM 471 O ALA A 79 16.485 5.034 -8.041 1.00 0.42 O ATOM 472 CB ALA A 79 15.604 7.562 -6.352 1.00 0.32 C ATOM 0 H ALA A 79 14.829 6.389 -4.370 1.00 0.25 H new ATOM 0 HA ALA A 79 14.296 6.087 -7.172 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.004 7.854 -7.323 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.789 8.232 -6.079 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.392 7.625 -5.601 1.00 0.32 H new ATOM 478 N ASP A 80 16.802 4.539 -5.869 1.00 0.35 N ATOM 479 CA ASP A 80 17.822 3.528 -6.119 1.00 0.44 C ATOM 480 C ASP A 80 17.166 2.185 -6.423 1.00 0.38 C ATOM 481 O ASP A 80 17.749 1.320 -7.077 1.00 0.44 O ATOM 482 CB ASP A 80 18.742 3.406 -4.905 1.00 0.59 C ATOM 483 CG ASP A 80 19.825 2.367 -5.086 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.810 2.651 -5.796 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.705 1.266 -4.508 1.00 2.29 O ATOM 0 H ASP A 80 16.606 4.700 -4.881 1.00 0.35 H new ATOM 0 HA ASP A 80 18.416 3.828 -6.982 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.204 4.373 -4.707 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.146 3.152 -4.028 1.00 0.59 H new ATOM 490 N HIS A 81 15.936 2.029 -5.951 1.00 0.35 N ATOM 491 CA HIS A 81 15.158 0.818 -6.203 1.00 0.39 C ATOM 492 C HIS A 81 13.751 1.173 -6.660 1.00 0.34 C ATOM 493 O HIS A 81 12.799 1.056 -5.888 1.00 0.30 O ATOM 494 CB HIS A 81 15.057 -0.069 -4.957 1.00 0.49 C ATOM 495 CG HIS A 81 16.305 -0.832 -4.636 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.659 -1.996 -5.285 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.270 -0.608 -3.714 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.787 -2.453 -4.776 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.181 -1.628 -3.823 1.00 1.12 N ATOM 0 H HIS A 81 15.452 2.729 -5.388 1.00 0.35 H new ATOM 0 HA HIS A 81 15.681 0.267 -6.984 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.798 0.555 -4.102 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.239 -0.776 -5.095 1.00 0.49 H new ATOM 0 HD1 HIS A 81 16.132 -2.435 -6.040 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.315 0.220 -3.021 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.301 -3.350 -5.086 1.00 2.11 H new ATOM 508 N PRO A 82 13.592 1.600 -7.924 1.00 0.39 N ATOM 509 CA PRO A 82 12.282 1.959 -8.486 1.00 0.39 C ATOM 510 C PRO A 82 11.403 0.734 -8.742 1.00 0.35 C ATOM 511 O PRO A 82 10.555 0.735 -9.632 1.00 0.39 O ATOM 512 CB PRO A 82 12.649 2.642 -9.800 1.00 0.50 C ATOM 513 CG PRO A 82 13.937 2.024 -10.194 1.00 0.53 C ATOM 514 CD PRO A 82 14.672 1.781 -8.910 1.00 0.48 C ATOM 0 HA PRO A 82 11.699 2.584 -7.810 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.883 2.480 -10.558 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.749 3.720 -9.672 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.776 1.093 -10.737 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.504 2.683 -10.852 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.310 0.899 -8.973 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.315 2.622 -8.651 1.00 0.48 H new ATOM 522 N GLU A 83 11.628 -0.308 -7.957 1.00 0.29 N ATOM 523 CA GLU A 83 10.874 -1.547 -8.052 1.00 0.26 C ATOM 524 C GLU A 83 9.644 -1.476 -7.152 1.00 0.19 C ATOM 525 O GLU A 83 8.606 -2.073 -7.440 1.00 0.22 O ATOM 526 CB GLU A 83 11.762 -2.712 -7.622 1.00 0.33 C ATOM 527 CG GLU A 83 13.098 -2.759 -8.346 1.00 0.49 C ATOM 528 CD GLU A 83 14.102 -3.650 -7.648 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.889 -4.886 -7.619 1.00 1.72 O ATOM 530 OE2 GLU A 83 15.102 -3.128 -7.119 1.00 2.05 O ATOM 0 H GLU A 83 12.344 -0.317 -7.231 1.00 0.29 H new ATOM 0 HA GLU A 83 10.550 -1.696 -9.082 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.942 -2.644 -6.549 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.230 -3.647 -7.797 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.944 -3.118 -9.364 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.503 -1.750 -8.421 1.00 0.49 H new ATOM 537 N VAL A 84 9.791 -0.734 -6.060 1.00 0.15 N ATOM 538 CA VAL A 84 8.752 -0.576 -5.048 1.00 0.11 C ATOM 539 C VAL A 84 7.439 -0.053 -5.631 1.00 0.11 C ATOM 540 O VAL A 84 6.383 -0.660 -5.467 1.00 0.13 O ATOM 541 CB VAL A 84 9.202 0.438 -3.993 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.236 0.425 -2.837 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.630 0.178 -3.530 1.00 0.14 C ATOM 0 H VAL A 84 10.646 -0.219 -5.850 1.00 0.15 H new ATOM 0 HA VAL A 84 8.589 -1.566 -4.622 1.00 0.11 H new ATOM 0 HB VAL A 84 9.199 1.431 -4.444 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.557 1.147 -2.086 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.240 0.689 -3.192 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.211 -0.571 -2.395 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.911 0.919 -2.782 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.696 -0.819 -3.095 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.307 0.248 -4.381 1.00 0.14 H new ATOM 553 N VAL A 85 7.534 1.093 -6.287 1.00 0.11 N ATOM 554 CA VAL A 85 6.379 1.785 -6.863 1.00 0.13 C ATOM 555 C VAL A 85 5.550 0.867 -7.779 1.00 0.15 C ATOM 556 O VAL A 85 4.353 0.694 -7.547 1.00 0.16 O ATOM 557 CB VAL A 85 6.836 3.045 -7.627 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.658 3.913 -8.013 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.823 3.834 -6.787 1.00 0.15 C ATOM 0 H VAL A 85 8.419 1.577 -6.439 1.00 0.11 H new ATOM 0 HA VAL A 85 5.732 2.084 -6.038 1.00 0.13 H new ATOM 0 HB VAL A 85 7.327 2.725 -8.546 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.014 4.792 -8.550 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.983 3.346 -8.654 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.127 4.227 -7.114 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.140 4.721 -7.335 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.347 4.135 -5.853 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.692 3.214 -6.568 1.00 0.15 H new ATOM 569 N PRO A 86 6.157 0.254 -8.822 1.00 0.17 N ATOM 570 CA PRO A 86 5.454 -0.707 -9.684 1.00 0.20 C ATOM 571 C PRO A 86 4.876 -1.879 -8.892 1.00 0.18 C ATOM 572 O PRO A 86 3.818 -2.405 -9.230 1.00 0.20 O ATOM 573 CB PRO A 86 6.537 -1.201 -10.646 1.00 0.23 C ATOM 574 CG PRO A 86 7.564 -0.126 -10.648 1.00 0.22 C ATOM 575 CD PRO A 86 7.547 0.461 -9.266 1.00 0.17 C ATOM 0 HA PRO A 86 4.603 -0.247 -10.186 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.958 -2.150 -10.313 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.134 -1.364 -11.645 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.548 -0.527 -10.890 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.335 0.632 -11.397 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.257 -0.040 -8.608 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.812 1.518 -9.276 1.00 0.17 H new ATOM 583 N PHE A 87 5.579 -2.282 -7.837 1.00 0.16 N ATOM 584 CA PHE A 87 5.108 -3.353 -6.968 1.00 0.15 C ATOM 585 C PHE A 87 3.806 -2.930 -6.289 1.00 0.14 C ATOM 586 O PHE A 87 2.791 -3.624 -6.390 1.00 0.16 O ATOM 587 CB PHE A 87 6.179 -3.692 -5.922 1.00 0.17 C ATOM 588 CG PHE A 87 5.909 -4.926 -5.096 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.671 -5.553 -5.107 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.907 -5.453 -4.300 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.438 -6.678 -4.343 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.681 -6.577 -3.534 1.00 0.25 C ATOM 593 CZ PHE A 87 5.443 -7.190 -3.555 1.00 0.38 C ATOM 0 H PHE A 87 6.477 -1.882 -7.564 1.00 0.16 H new ATOM 0 HA PHE A 87 4.918 -4.245 -7.565 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.134 -3.819 -6.432 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.288 -2.841 -5.249 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.878 -5.154 -5.723 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.877 -4.979 -4.277 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.469 -7.155 -4.363 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.472 -6.978 -2.918 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.264 -8.069 -2.954 1.00 0.38 H new ATOM 603 N LEU A 88 3.838 -1.785 -5.618 1.00 0.12 N ATOM 604 CA LEU A 88 2.655 -1.261 -4.952 1.00 0.13 C ATOM 605 C LEU A 88 1.512 -1.078 -5.940 1.00 0.14 C ATOM 606 O LEU A 88 0.358 -1.395 -5.636 1.00 0.16 O ATOM 607 CB LEU A 88 2.968 0.067 -4.267 1.00 0.13 C ATOM 608 CG LEU A 88 3.938 -0.012 -3.093 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.968 1.320 -2.359 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.535 -1.146 -2.159 1.00 0.20 C ATOM 0 H LEU A 88 4.670 -1.203 -5.521 1.00 0.12 H new ATOM 0 HA LEU A 88 2.349 -1.984 -4.196 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.379 0.751 -5.010 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.033 0.503 -3.915 1.00 0.13 H new ATOM 0 HG LEU A 88 4.941 -0.221 -3.464 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.662 1.258 -1.521 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.293 2.105 -3.042 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.970 1.553 -1.987 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.233 -1.195 -1.324 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.529 -0.966 -1.781 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.554 -2.090 -2.704 1.00 0.20 H new ATOM 622 N TYR A 89 1.844 -0.577 -7.124 1.00 0.16 N ATOM 623 CA TYR A 89 0.861 -0.417 -8.190 1.00 0.20 C ATOM 624 C TYR A 89 0.214 -1.756 -8.514 1.00 0.21 C ATOM 625 O TYR A 89 -1.011 -1.886 -8.526 1.00 0.25 O ATOM 626 CB TYR A 89 1.507 0.132 -9.467 1.00 0.22 C ATOM 627 CG TYR A 89 1.387 1.623 -9.649 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.148 2.219 -9.839 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.513 2.432 -9.646 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.034 3.582 -10.021 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.409 3.795 -9.830 1.00 0.37 C ATOM 632 CZ TYR A 89 1.166 4.367 -10.017 1.00 0.43 C ATOM 633 OH TYR A 89 1.057 5.727 -10.203 1.00 0.54 O ATOM 0 H TYR A 89 2.786 -0.274 -7.371 1.00 0.16 H new ATOM 0 HA TYR A 89 0.110 0.290 -7.837 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.564 -0.135 -9.466 1.00 0.22 H new ATOM 0 HB3 TYR A 89 1.054 -0.362 -10.327 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.741 1.606 -9.844 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.486 1.988 -9.497 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.938 4.031 -10.166 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.295 4.412 -9.828 1.00 0.37 H new ATOM 0 HH TYR A 89 0.628 6.131 -9.420 1.00 0.54 H new ATOM 643 N ASN A 90 1.065 -2.750 -8.736 1.00 0.19 N ATOM 644 CA ASN A 90 0.636 -4.085 -9.133 1.00 0.23 C ATOM 645 C ASN A 90 -0.318 -4.672 -8.103 1.00 0.22 C ATOM 646 O ASN A 90 -1.370 -5.204 -8.451 1.00 0.27 O ATOM 647 CB ASN A 90 1.858 -4.990 -9.276 1.00 0.27 C ATOM 648 CG ASN A 90 1.618 -6.232 -10.118 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.398 -6.737 -10.123 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.535 -6.739 -10.762 1.00 0.67 N flip ATOM 0 H ASN A 90 2.076 -2.652 -8.645 1.00 0.19 H new ATOM 0 HA ASN A 90 0.114 -4.016 -10.088 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.672 -4.416 -9.719 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.188 -5.296 -8.283 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.466 -6.324 -10.737 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.364 -7.575 -11.322 1.00 0.67 H new ATOM 657 N ARG A 91 0.051 -4.566 -6.837 1.00 0.19 N ATOM 658 CA ARG A 91 -0.745 -5.153 -5.772 1.00 0.20 C ATOM 659 C ARG A 91 -2.084 -4.439 -5.615 1.00 0.20 C ATOM 660 O ARG A 91 -3.088 -5.079 -5.315 1.00 0.22 O ATOM 661 CB ARG A 91 0.028 -5.164 -4.453 1.00 0.22 C ATOM 662 CG ARG A 91 -0.732 -5.837 -3.316 1.00 0.26 C ATOM 663 CD ARG A 91 -1.399 -7.124 -3.769 1.00 0.36 C ATOM 664 NE ARG A 91 -0.449 -8.077 -4.349 1.00 0.80 N ATOM 665 CZ ARG A 91 0.013 -9.166 -3.736 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.229 -9.384 -2.452 1.00 1.38 N ATOM 667 NH2 ARG A 91 0.760 -10.022 -4.411 1.00 1.25 N ATOM 0 H ARG A 91 0.892 -4.082 -6.523 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.955 -6.186 -6.050 1.00 0.20 H new ATOM 0 HB2 ARG A 91 0.978 -5.678 -4.601 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.262 -4.138 -4.168 1.00 0.22 H new ATOM 0 HG2 ARG A 91 -0.046 -6.052 -2.497 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.487 -5.153 -2.928 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.900 -7.588 -2.919 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -2.169 -6.891 -4.505 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.116 -7.892 -5.295 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.778 -8.712 -1.915 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.133 -10.224 -2.000 1.00 1.38 H new ATOM 0 HH21 ARG A 91 0.978 -9.846 -5.392 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.119 -10.859 -3.951 1.00 1.25 H new ATOM 681 N GLN A 92 -2.115 -3.129 -5.831 1.00 0.19 N ATOM 682 CA GLN A 92 -3.367 -2.388 -5.711 1.00 0.21 C ATOM 683 C GLN A 92 -4.333 -2.801 -6.816 1.00 0.24 C ATOM 684 O GLN A 92 -5.540 -2.870 -6.606 1.00 0.26 O ATOM 685 CB GLN A 92 -3.142 -0.879 -5.768 1.00 0.23 C ATOM 686 CG GLN A 92 -4.399 -0.084 -5.444 1.00 0.34 C ATOM 687 CD GLN A 92 -4.261 1.392 -5.746 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.514 1.789 -6.638 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.995 2.213 -5.011 1.00 0.78 N ATOM 0 H GLN A 92 -1.304 -2.565 -6.086 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.795 -2.630 -4.738 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.354 -0.607 -5.066 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.791 -0.606 -6.763 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.235 -0.489 -6.014 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.641 -0.212 -4.389 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.601 1.840 -4.281 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.954 3.219 -5.175 1.00 0.78 H new ATOM 698 N GLN A 93 -3.784 -3.086 -7.991 1.00 0.26 N ATOM 699 CA GLN A 93 -4.598 -3.498 -9.133 1.00 0.32 C ATOM 700 C GLN A 93 -5.123 -4.910 -8.905 1.00 0.34 C ATOM 701 O GLN A 93 -6.167 -5.295 -9.430 1.00 0.40 O ATOM 702 CB GLN A 93 -3.789 -3.458 -10.437 1.00 0.36 C ATOM 703 CG GLN A 93 -3.074 -2.145 -10.707 1.00 0.38 C ATOM 704 CD GLN A 93 -3.984 -0.949 -10.627 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.595 -0.538 -11.614 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.069 -0.381 -9.445 1.00 0.57 N ATOM 0 H GLN A 93 -2.783 -3.040 -8.180 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.431 -2.801 -9.225 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.050 -4.259 -10.414 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.460 -3.667 -11.270 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.263 -2.026 -9.989 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.620 -2.183 -11.697 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.542 -0.760 -8.658 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.662 0.439 -9.315 1.00 0.57 H new ATOM 715 N ARG A 94 -4.381 -5.677 -8.113 1.00 0.33 N ATOM 716 CA ARG A 94 -4.760 -7.043 -7.784 1.00 0.38 C ATOM 717 C ARG A 94 -5.498 -7.091 -6.455 1.00 0.32 C ATOM 718 O ARG A 94 -5.800 -8.166 -5.932 1.00 0.46 O ATOM 719 CB ARG A 94 -3.528 -7.945 -7.750 1.00 0.47 C ATOM 720 CG ARG A 94 -2.817 -7.993 -9.087 1.00 0.70 C ATOM 721 CD ARG A 94 -3.801 -8.287 -10.203 1.00 0.95 C ATOM 722 NE ARG A 94 -3.197 -8.188 -11.529 1.00 1.67 N ATOM 723 CZ ARG A 94 -3.811 -7.638 -12.574 1.00 2.40 C ATOM 724 NH1 ARG A 94 -5.009 -7.083 -12.422 1.00 2.73 N ATOM 725 NH2 ARG A 94 -3.227 -7.635 -13.762 1.00 3.24 N ATOM 0 H ARG A 94 -3.507 -5.371 -7.685 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.433 -7.409 -8.559 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.838 -7.586 -6.986 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.826 -8.953 -7.462 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.319 -7.042 -9.275 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -2.042 -8.760 -9.066 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -4.208 -9.289 -10.068 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -4.638 -7.591 -10.137 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.256 -8.559 -11.661 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -5.457 -7.079 -11.505 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -5.481 -6.661 -13.222 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -2.305 -8.055 -13.878 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -3.699 -7.213 -14.561 1.00 3.24 H new ATOM 739 N ALA A 95 -5.769 -5.916 -5.912 1.00 0.28 N ATOM 740 CA ALA A 95 -6.564 -5.787 -4.715 1.00 0.25 C ATOM 741 C ALA A 95 -8.003 -5.480 -5.112 1.00 0.26 C ATOM 742 O ALA A 95 -8.254 -4.943 -6.193 1.00 0.36 O ATOM 743 CB ALA A 95 -5.971 -4.699 -3.832 1.00 0.25 C ATOM 0 H ALA A 95 -5.441 -5.028 -6.293 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.560 -6.715 -4.143 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.569 -4.599 -2.926 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.949 -4.965 -3.564 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.970 -3.752 -4.372 1.00 0.25 H new ATOM 749 N HIS A 96 -8.945 -5.834 -4.255 1.00 0.29 N ATOM 750 CA HIS A 96 -10.353 -5.707 -4.597 1.00 0.29 C ATOM 751 C HIS A 96 -10.857 -4.317 -4.245 1.00 0.27 C ATOM 752 O HIS A 96 -10.745 -3.877 -3.099 1.00 0.29 O ATOM 753 CB HIS A 96 -11.186 -6.762 -3.879 1.00 0.33 C ATOM 754 CG HIS A 96 -12.487 -7.047 -4.555 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.615 -6.321 -4.280 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.778 -7.985 -5.485 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.567 -6.830 -5.044 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.106 -7.842 -5.792 1.00 0.50 N ATOM 0 H HIS A 96 -8.764 -6.209 -3.324 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.456 -5.862 -5.671 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.610 -7.685 -3.810 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.379 -6.430 -2.859 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.095 -8.708 -5.905 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.587 -6.475 -5.063 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.640 -8.398 -6.460 1.00 0.50 H new ATOM 766 N SER A 97 -11.434 -3.653 -5.238 1.00 0.32 N ATOM 767 CA SER A 97 -11.837 -2.253 -5.126 1.00 0.37 C ATOM 768 C SER A 97 -12.839 -2.015 -3.997 1.00 0.33 C ATOM 769 O SER A 97 -12.968 -0.892 -3.526 1.00 0.39 O ATOM 770 CB SER A 97 -12.422 -1.764 -6.456 1.00 0.48 C ATOM 771 OG SER A 97 -12.709 -0.372 -6.422 1.00 1.46 O ATOM 0 H SER A 97 -11.637 -4.069 -6.147 1.00 0.32 H new ATOM 0 HA SER A 97 -10.940 -1.683 -4.884 1.00 0.37 H new ATOM 0 HB2 SER A 97 -11.718 -1.971 -7.262 1.00 0.48 H new ATOM 0 HB3 SER A 97 -13.334 -2.319 -6.679 1.00 0.48 H new ATOM 0 HG SER A 97 -12.223 0.044 -5.680 1.00 1.46 H new ATOM 777 N LEU A 98 -13.537 -3.055 -3.553 1.00 0.29 N ATOM 778 CA LEU A 98 -14.542 -2.889 -2.515 1.00 0.32 C ATOM 779 C LEU A 98 -13.915 -2.484 -1.187 1.00 0.35 C ATOM 780 O LEU A 98 -14.390 -1.564 -0.527 1.00 0.43 O ATOM 781 CB LEU A 98 -15.362 -4.161 -2.358 1.00 0.35 C ATOM 782 CG LEU A 98 -16.405 -4.384 -3.451 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.277 -5.585 -3.121 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.253 -3.133 -3.633 1.00 0.67 C ATOM 0 H LEU A 98 -13.426 -4.010 -3.892 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.207 -2.082 -2.823 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.684 -5.015 -2.341 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.867 -4.135 -1.392 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.889 -4.589 -4.389 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.014 -5.728 -3.911 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.654 -6.476 -3.041 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.789 -5.414 -2.174 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.993 -3.305 -4.415 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.762 -2.899 -2.698 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.613 -2.298 -3.917 1.00 0.67 H new ATOM 796 N PHE A 99 -12.854 -3.176 -0.795 1.00 0.32 N ATOM 797 CA PHE A 99 -12.100 -2.782 0.390 1.00 0.34 C ATOM 798 C PHE A 99 -11.422 -1.443 0.155 1.00 0.34 C ATOM 799 O PHE A 99 -11.465 -0.560 1.009 1.00 0.39 O ATOM 800 CB PHE A 99 -11.048 -3.831 0.766 1.00 0.36 C ATOM 801 CG PHE A 99 -9.882 -3.259 1.535 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.065 -2.692 2.787 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.607 -3.265 0.990 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.997 -2.149 3.478 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.539 -2.722 1.676 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.735 -2.164 2.923 1.00 0.58 C ATOM 0 H PHE A 99 -12.498 -4.004 -1.273 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.805 -2.698 1.217 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.520 -4.611 1.363 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.677 -4.305 -0.143 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.051 -2.674 3.227 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.447 -3.701 0.015 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.152 -1.713 4.454 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.552 -2.734 1.238 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.901 -1.740 3.463 1.00 0.58 H new ATOM 816 N LEU A 100 -10.786 -1.308 -1.002 1.00 0.31 N ATOM 817 CA LEU A 100 -10.083 -0.083 -1.346 1.00 0.36 C ATOM 818 C LEU A 100 -11.018 1.119 -1.211 1.00 0.45 C ATOM 819 O LEU A 100 -10.688 2.098 -0.550 1.00 0.79 O ATOM 820 CB LEU A 100 -9.535 -0.190 -2.773 1.00 0.37 C ATOM 821 CG LEU A 100 -8.815 -1.507 -3.079 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.458 -1.601 -4.546 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.562 -1.668 -2.236 1.00 0.70 C ATOM 0 H LEU A 100 -10.744 -2.034 -1.717 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.248 0.060 -0.660 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.360 -0.070 -3.476 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.845 0.636 -2.947 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.504 -2.313 -2.828 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.948 -2.545 -4.737 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.367 -1.552 -5.146 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.801 -0.773 -4.814 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -7.078 -2.614 -2.481 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.877 -0.846 -2.442 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.831 -1.660 -1.180 1.00 0.70 H new ATOM 835 N ALA A 101 -12.216 0.997 -1.776 1.00 0.28 N ATOM 836 CA ALA A 101 -13.194 2.083 -1.799 1.00 0.33 C ATOM 837 C ALA A 101 -13.942 2.229 -0.472 1.00 0.36 C ATOM 838 O ALA A 101 -15.165 2.351 -0.453 1.00 0.57 O ATOM 839 CB ALA A 101 -14.192 1.856 -2.928 1.00 0.36 C ATOM 0 H ALA A 101 -12.537 0.143 -2.231 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.643 3.009 -1.964 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.918 2.668 -2.940 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.663 1.828 -3.881 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.709 0.909 -2.772 1.00 0.36 H new ATOM 845 N SER A 102 -13.211 2.256 0.632 1.00 0.34 N ATOM 846 CA SER A 102 -13.828 2.379 1.940 1.00 0.36 C ATOM 847 C SER A 102 -13.009 3.305 2.821 1.00 0.36 C ATOM 848 O SER A 102 -11.925 3.753 2.428 1.00 0.46 O ATOM 849 CB SER A 102 -13.981 1.004 2.605 1.00 0.40 C ATOM 850 OG SER A 102 -12.727 0.486 3.011 1.00 1.39 O ATOM 0 H SER A 102 -12.193 2.194 0.647 1.00 0.34 H new ATOM 0 HA SER A 102 -14.823 2.805 1.811 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.640 1.087 3.470 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.455 0.312 1.909 1.00 0.40 H new ATOM 0 HG SER A 102 -12.118 0.465 2.244 1.00 1.39 H new ATOM 856 N ALA A 103 -13.516 3.591 4.007 1.00 0.35 N ATOM 857 CA ALA A 103 -12.812 4.450 4.938 1.00 0.36 C ATOM 858 C ALA A 103 -11.588 3.742 5.480 1.00 0.29 C ATOM 859 O ALA A 103 -10.588 4.374 5.818 1.00 0.30 O ATOM 860 CB ALA A 103 -13.727 4.851 6.076 1.00 0.44 C ATOM 0 H ALA A 103 -14.412 3.241 4.347 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.494 5.349 4.410 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.186 5.496 6.768 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.589 5.387 5.678 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.066 3.959 6.602 1.00 0.44 H new ATOM 866 N GLU A 104 -11.668 2.421 5.529 1.00 0.29 N ATOM 867 CA GLU A 104 -10.606 1.620 6.108 1.00 0.30 C ATOM 868 C GLU A 104 -9.298 1.847 5.364 1.00 0.26 C ATOM 869 O GLU A 104 -8.302 2.259 5.959 1.00 0.30 O ATOM 870 CB GLU A 104 -10.981 0.135 6.100 1.00 0.39 C ATOM 871 CG GLU A 104 -9.926 -0.755 6.733 1.00 0.49 C ATOM 872 CD GLU A 104 -10.400 -2.180 6.942 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.191 -2.420 7.874 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.988 -3.068 6.166 1.00 1.81 O ATOM 0 H GLU A 104 -12.459 1.883 5.174 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.470 1.931 7.144 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.924 0.003 6.631 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.147 -0.185 5.071 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.038 -0.762 6.101 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.630 -0.332 7.693 1.00 0.49 H new ATOM 881 N PHE A 105 -9.313 1.623 4.057 1.00 0.22 N ATOM 882 CA PHE A 105 -8.112 1.780 3.252 1.00 0.20 C ATOM 883 C PHE A 105 -7.661 3.241 3.219 1.00 0.19 C ATOM 884 O PHE A 105 -6.461 3.528 3.185 1.00 0.16 O ATOM 885 CB PHE A 105 -8.341 1.252 1.836 1.00 0.21 C ATOM 886 CG PHE A 105 -7.078 1.174 1.027 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.945 0.586 1.565 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.018 1.684 -0.260 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.775 0.509 0.838 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.848 1.610 -0.994 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.726 1.023 -0.443 1.00 0.16 C ATOM 0 H PHE A 105 -10.140 1.333 3.535 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.317 1.194 3.713 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.792 0.261 1.892 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.054 1.898 1.324 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.978 0.183 2.566 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.893 2.144 -0.694 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.899 0.048 1.270 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.812 2.011 -1.996 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.811 0.966 -1.013 1.00 0.16 H new ATOM 901 N CYS A 106 -8.625 4.159 3.238 1.00 0.27 N ATOM 902 CA CYS A 106 -8.320 5.582 3.351 1.00 0.27 C ATOM 903 C CYS A 106 -7.428 5.849 4.568 1.00 0.27 C ATOM 904 O CYS A 106 -6.423 6.553 4.461 1.00 0.28 O ATOM 905 CB CYS A 106 -9.609 6.403 3.448 1.00 0.29 C ATOM 906 SG CYS A 106 -9.345 8.184 3.610 1.00 0.59 S ATOM 0 H CYS A 106 -9.620 3.943 3.177 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.781 5.886 2.454 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.213 6.216 2.560 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.185 6.053 4.305 1.00 0.29 H new ATOM 0 HG CYS A 106 -8.127 8.408 4.007 1.00 0.59 H new ATOM 912 N ASN A 107 -7.789 5.270 5.716 1.00 0.28 N ATOM 913 CA ASN A 107 -6.979 5.391 6.935 1.00 0.30 C ATOM 914 C ASN A 107 -5.590 4.840 6.711 1.00 0.24 C ATOM 915 O ASN A 107 -4.600 5.485 7.034 1.00 0.23 O ATOM 916 CB ASN A 107 -7.614 4.635 8.099 1.00 0.37 C ATOM 917 CG ASN A 107 -8.749 5.402 8.756 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.528 6.185 9.680 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.968 5.182 8.295 1.00 0.64 N ATOM 0 H ASN A 107 -8.636 4.713 5.829 1.00 0.28 H new ATOM 0 HA ASN A 107 -6.925 6.452 7.178 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.990 3.677 7.741 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.849 4.419 8.845 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.764 5.669 8.707 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.112 4.526 7.528 1.00 0.64 H new ATOM 926 N ILE A 108 -5.532 3.643 6.157 1.00 0.21 N ATOM 927 CA ILE A 108 -4.267 2.985 5.879 1.00 0.17 C ATOM 928 C ILE A 108 -3.340 3.899 5.085 1.00 0.12 C ATOM 929 O ILE A 108 -2.212 4.161 5.496 1.00 0.12 O ATOM 930 CB ILE A 108 -4.504 1.670 5.108 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.667 0.496 6.071 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.401 1.389 4.100 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.004 0.477 6.758 1.00 0.39 C ATOM 0 H ILE A 108 -6.354 3.102 5.888 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.789 2.755 6.831 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.431 1.791 4.547 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.534 -0.437 5.523 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.879 0.539 6.823 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.611 0.453 3.582 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.354 2.202 3.376 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.446 1.310 4.619 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.057 -0.381 7.428 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.131 1.395 7.333 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.795 0.404 6.012 1.00 0.39 H new ATOM 945 N LEU A 109 -3.840 4.406 3.973 1.00 0.12 N ATOM 946 CA LEU A 109 -3.059 5.271 3.102 1.00 0.12 C ATOM 947 C LEU A 109 -2.675 6.574 3.774 1.00 0.13 C ATOM 948 O LEU A 109 -1.501 6.930 3.821 1.00 0.13 O ATOM 949 CB LEU A 109 -3.842 5.562 1.842 1.00 0.15 C ATOM 950 CG LEU A 109 -3.685 4.516 0.758 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.757 4.690 -0.277 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.324 4.642 0.122 1.00 0.17 C ATOM 0 H LEU A 109 -4.791 4.233 3.648 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.136 4.744 2.862 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.898 5.650 2.096 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.528 6.528 1.447 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.779 3.524 1.199 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.639 3.935 -1.054 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.735 4.579 0.190 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.677 5.682 -0.721 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.215 3.888 -0.657 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.218 5.634 -0.316 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.554 4.495 0.879 1.00 0.17 H new ATOM 964 N SER A 110 -3.669 7.275 4.296 1.00 0.16 N ATOM 965 CA SER A 110 -3.450 8.567 4.933 1.00 0.20 C ATOM 966 C SER A 110 -2.437 8.443 6.061 1.00 0.19 C ATOM 967 O SER A 110 -1.656 9.358 6.324 1.00 0.22 O ATOM 968 CB SER A 110 -4.773 9.119 5.462 1.00 0.28 C ATOM 969 OG SER A 110 -5.405 8.202 6.337 1.00 1.18 O ATOM 0 H SER A 110 -4.642 6.970 4.291 1.00 0.16 H new ATOM 0 HA SER A 110 -3.051 9.259 4.191 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.593 10.058 5.985 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.436 9.342 4.626 1.00 0.28 H new ATOM 0 HG SER A 110 -5.965 7.587 5.818 1.00 1.18 H new ATOM 975 N ARG A 111 -2.466 7.303 6.725 1.00 0.18 N ATOM 976 CA ARG A 111 -1.527 7.009 7.787 1.00 0.19 C ATOM 977 C ARG A 111 -0.142 6.645 7.243 1.00 0.16 C ATOM 978 O ARG A 111 0.830 7.349 7.520 1.00 0.17 O ATOM 979 CB ARG A 111 -2.068 5.882 8.669 1.00 0.25 C ATOM 980 CG ARG A 111 -3.163 6.324 9.627 1.00 0.33 C ATOM 981 CD ARG A 111 -3.557 5.193 10.564 1.00 1.22 C ATOM 982 NE ARG A 111 -4.480 5.631 11.608 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.783 4.909 12.685 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.253 3.701 12.851 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.607 5.404 13.602 1.00 3.73 N ATOM 0 H ARG A 111 -3.139 6.558 6.543 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.412 7.912 8.387 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.455 5.088 8.031 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.245 5.456 9.244 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.819 7.179 10.208 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.035 6.653 9.061 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.019 4.391 9.988 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.661 4.778 11.026 1.00 1.22 H new ATOM 0 HE ARG A 111 -4.919 6.546 11.506 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -3.612 3.325 12.152 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.487 3.150 13.677 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -6.006 6.335 13.480 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.841 4.853 14.428 1.00 3.73 H new ATOM 999 N VAL A 112 -0.049 5.585 6.432 1.00 0.15 N ATOM 1000 CA VAL A 112 1.258 5.074 6.006 1.00 0.14 C ATOM 1001 C VAL A 112 1.992 6.063 5.107 1.00 0.14 C ATOM 1002 O VAL A 112 3.206 6.217 5.221 1.00 0.15 O ATOM 1003 CB VAL A 112 1.190 3.700 5.296 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.550 2.647 6.186 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.462 3.799 3.972 1.00 0.15 C ATOM 0 H VAL A 112 -0.849 5.072 6.063 1.00 0.15 H new ATOM 0 HA VAL A 112 1.814 4.940 6.934 1.00 0.14 H new ATOM 0 HB VAL A 112 2.215 3.389 5.093 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.518 1.694 5.657 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.137 2.536 7.098 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.464 2.954 6.442 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.432 2.817 3.499 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.555 4.152 4.142 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.985 4.499 3.321 1.00 0.15 H new ATOM 1015 N LEU A 113 1.264 6.742 4.225 1.00 0.15 N ATOM 1016 CA LEU A 113 1.863 7.707 3.340 1.00 0.16 C ATOM 1017 C LEU A 113 2.480 8.850 4.139 1.00 0.17 C ATOM 1018 O LEU A 113 3.621 9.236 3.901 1.00 0.20 O ATOM 1019 CB LEU A 113 0.803 8.210 2.359 1.00 0.16 C ATOM 1020 CG LEU A 113 0.909 9.671 1.986 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.120 9.887 1.097 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.365 10.141 1.304 1.00 0.27 C ATOM 0 H LEU A 113 0.256 6.633 4.112 1.00 0.15 H new ATOM 0 HA LEU A 113 2.668 7.241 2.772 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.863 7.614 1.448 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.182 8.033 2.792 1.00 0.16 H new ATOM 0 HG LEU A 113 1.036 10.263 2.892 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.192 10.941 0.831 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.021 9.585 1.630 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.017 9.290 0.191 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.270 11.195 1.043 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.530 9.556 0.399 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.210 10.009 1.980 1.00 0.27 H new ATOM 1034 N SER A 114 1.734 9.364 5.103 1.00 0.17 N ATOM 1035 CA SER A 114 2.205 10.473 5.917 1.00 0.21 C ATOM 1036 C SER A 114 3.341 10.017 6.833 1.00 0.18 C ATOM 1037 O SER A 114 4.295 10.762 7.072 1.00 0.20 O ATOM 1038 CB SER A 114 1.043 11.055 6.723 1.00 0.26 C ATOM 1039 OG SER A 114 1.440 12.199 7.459 1.00 1.06 O ATOM 0 H SER A 114 0.800 9.031 5.341 1.00 0.17 H new ATOM 0 HA SER A 114 2.597 11.255 5.266 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.229 11.320 6.049 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.658 10.298 7.406 1.00 0.26 H new ATOM 0 HG SER A 114 0.674 12.547 7.961 1.00 1.06 H new ATOM 1045 N ARG A 115 3.239 8.791 7.343 1.00 0.15 N ATOM 1046 CA ARG A 115 4.306 8.193 8.125 1.00 0.16 C ATOM 1047 C ARG A 115 5.589 8.088 7.311 1.00 0.15 C ATOM 1048 O ARG A 115 6.659 8.433 7.792 1.00 0.18 O ATOM 1049 CB ARG A 115 3.892 6.807 8.613 1.00 0.20 C ATOM 1050 CG ARG A 115 2.847 6.847 9.708 1.00 0.31 C ATOM 1051 CD ARG A 115 3.398 7.486 10.966 1.00 0.53 C ATOM 1052 NE ARG A 115 2.460 7.396 12.081 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.733 6.795 13.237 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.929 6.263 13.453 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.813 6.740 14.190 1.00 1.62 N ATOM 0 H ARG A 115 2.421 8.194 7.225 1.00 0.15 H new ATOM 0 HA ARG A 115 4.493 8.837 8.984 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.505 6.233 7.771 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.773 6.280 8.980 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.977 7.406 9.364 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.509 5.835 9.929 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.334 6.999 11.240 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.628 8.533 10.770 1.00 0.53 H new ATOM 0 HE ARG A 115 1.539 7.820 11.967 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.647 6.313 12.731 1.00 1.63 H new ATOM 0 HH12 ARG A 115 4.130 5.804 14.342 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.895 7.158 14.038 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.023 6.279 15.076 1.00 1.62 H new ATOM 1069 N ALA A 116 5.470 7.613 6.077 1.00 0.15 N ATOM 1070 CA ALA A 116 6.626 7.439 5.202 1.00 0.18 C ATOM 1071 C ALA A 116 7.161 8.777 4.700 1.00 0.21 C ATOM 1072 O ALA A 116 8.356 8.930 4.458 1.00 0.25 O ATOM 1073 CB ALA A 116 6.268 6.539 4.036 1.00 0.20 C ATOM 0 H ALA A 116 4.581 7.340 5.657 1.00 0.15 H new ATOM 0 HA ALA A 116 7.418 6.969 5.785 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.138 6.417 3.390 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.955 5.565 4.411 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.454 6.988 3.467 1.00 0.20 H new ATOM 1079 N ARG A 117 6.267 9.738 4.526 1.00 0.23 N ATOM 1080 CA ARG A 117 6.649 11.088 4.173 1.00 0.28 C ATOM 1081 C ARG A 117 7.421 11.729 5.331 1.00 0.29 C ATOM 1082 O ARG A 117 8.376 12.480 5.124 1.00 0.39 O ATOM 1083 CB ARG A 117 5.383 11.881 3.815 1.00 0.38 C ATOM 1084 CG ARG A 117 5.465 13.356 4.118 1.00 1.06 C ATOM 1085 CD ARG A 117 6.421 14.063 3.172 1.00 1.15 C ATOM 1086 NE ARG A 117 5.740 14.653 2.021 1.00 1.75 N ATOM 1087 CZ ARG A 117 6.374 15.186 0.975 1.00 2.25 C ATOM 1088 NH1 ARG A 117 7.702 15.159 0.913 1.00 2.33 N ATOM 1089 NH2 ARG A 117 5.681 15.750 -0.005 1.00 2.99 N ATOM 0 H ARG A 117 5.261 9.601 4.626 1.00 0.23 H new ATOM 0 HA ARG A 117 7.310 11.086 3.306 1.00 0.28 H new ATOM 0 HB2 ARG A 117 5.176 11.752 2.753 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.538 11.457 4.358 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.474 13.802 4.036 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.795 13.500 5.147 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.952 14.845 3.715 1.00 1.15 H new ATOM 0 HD3 ARG A 117 7.170 13.353 2.821 1.00 1.15 H new ATOM 0 HE ARG A 117 4.720 14.657 2.017 1.00 1.75 H new ATOM 0 HH11 ARG A 117 8.239 14.730 1.667 1.00 2.33 H new ATOM 0 HH12 ARG A 117 8.184 15.567 0.112 1.00 2.33 H new ATOM 0 HH21 ARG A 117 4.662 15.777 0.040 1.00 2.99 H new ATOM 0 HH22 ARG A 117 6.167 16.157 -0.804 1.00 2.99 H new ATOM 1103 N SER A 118 7.001 11.411 6.546 1.00 0.28 N ATOM 1104 CA SER A 118 7.670 11.886 7.746 1.00 0.33 C ATOM 1105 C SER A 118 8.975 11.137 7.949 1.00 0.32 C ATOM 1106 O SER A 118 10.042 11.729 8.115 1.00 0.41 O ATOM 1107 CB SER A 118 6.759 11.671 8.955 1.00 0.38 C ATOM 1108 OG SER A 118 7.236 12.350 10.106 1.00 0.62 O ATOM 0 H SER A 118 6.190 10.819 6.727 1.00 0.28 H new ATOM 0 HA SER A 118 7.887 12.948 7.637 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.754 12.020 8.718 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.684 10.605 9.168 1.00 0.38 H new ATOM 0 HG SER A 118 6.626 12.190 10.856 1.00 0.62 H new ATOM 1114 N ARG A 119 8.859 9.831 7.934 1.00 0.26 N ATOM 1115 CA ARG A 119 9.981 8.934 8.135 1.00 0.28 C ATOM 1116 C ARG A 119 10.229 8.065 6.909 1.00 0.26 C ATOM 1117 O ARG A 119 9.789 6.913 6.851 1.00 0.25 O ATOM 1118 CB ARG A 119 9.720 8.050 9.354 1.00 0.33 C ATOM 1119 CG ARG A 119 9.845 8.788 10.670 1.00 0.47 C ATOM 1120 CD ARG A 119 11.288 9.166 10.951 1.00 1.28 C ATOM 1121 NE ARG A 119 11.413 10.035 12.116 1.00 1.54 N ATOM 1122 CZ ARG A 119 12.500 10.107 12.880 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.522 9.286 12.672 1.00 3.26 N ATOM 1124 NH2 ARG A 119 12.552 10.978 13.876 1.00 2.60 N ATOM 0 H ARG A 119 7.972 9.351 7.780 1.00 0.26 H new ATOM 0 HA ARG A 119 10.872 9.539 8.301 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.719 7.625 9.278 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.422 7.216 9.346 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.229 9.687 10.646 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.466 8.163 11.478 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.874 8.261 11.110 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.707 9.668 10.079 1.00 1.28 H new ATOM 0 HE ARG A 119 10.617 10.624 12.360 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.477 8.595 11.923 1.00 3.26 H new ATOM 0 HH12 ARG A 119 14.353 9.346 13.261 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.759 11.593 14.057 1.00 2.60 H new ATOM 0 HH22 ARG A 119 13.385 11.034 14.462 1.00 2.60 H new ATOM 1138 N PRO A 120 10.949 8.606 5.915 1.00 0.29 N ATOM 1139 CA PRO A 120 11.410 7.844 4.746 1.00 0.30 C ATOM 1140 C PRO A 120 12.302 6.692 5.179 1.00 0.27 C ATOM 1141 O PRO A 120 12.450 5.686 4.483 1.00 0.28 O ATOM 1142 CB PRO A 120 12.225 8.871 3.955 1.00 0.37 C ATOM 1143 CG PRO A 120 12.565 9.929 4.944 1.00 0.38 C ATOM 1144 CD PRO A 120 11.380 10.006 5.846 1.00 0.35 C ATOM 0 HA PRO A 120 10.592 7.406 4.174 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.123 8.422 3.532 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.649 9.277 3.123 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.468 9.675 5.499 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.750 10.884 4.453 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.641 10.400 6.828 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.601 10.652 5.440 1.00 0.35 H new ATOM 1152 N ALA A 121 12.882 6.868 6.353 1.00 0.25 N ATOM 1153 CA ALA A 121 13.731 5.878 6.976 1.00 0.28 C ATOM 1154 C ALA A 121 13.009 4.540 7.143 1.00 0.27 C ATOM 1155 O ALA A 121 13.631 3.480 7.092 1.00 0.35 O ATOM 1156 CB ALA A 121 14.206 6.410 8.316 1.00 0.33 C ATOM 0 H ALA A 121 12.772 7.718 6.906 1.00 0.25 H new ATOM 0 HA ALA A 121 14.590 5.693 6.331 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.848 5.670 8.794 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.767 7.332 8.163 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.345 6.610 8.954 1.00 0.33 H new ATOM 1162 N LYS A 122 11.697 4.590 7.341 1.00 0.22 N ATOM 1163 CA LYS A 122 10.904 3.378 7.466 1.00 0.27 C ATOM 1164 C LYS A 122 9.817 3.318 6.402 1.00 0.19 C ATOM 1165 O LYS A 122 8.833 2.594 6.550 1.00 0.18 O ATOM 1166 CB LYS A 122 10.299 3.296 8.862 1.00 0.39 C ATOM 1167 CG LYS A 122 11.323 2.962 9.928 1.00 0.49 C ATOM 1168 CD LYS A 122 11.216 1.510 10.357 1.00 0.66 C ATOM 1169 CE LYS A 122 10.993 1.381 11.855 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.137 1.915 12.646 1.00 1.79 N ATOM 0 H LYS A 122 11.163 5.456 7.418 1.00 0.22 H new ATOM 0 HA LYS A 122 11.559 2.520 7.314 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.826 4.248 9.104 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.514 2.539 8.869 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.325 3.158 9.547 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.177 3.611 10.792 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.393 1.033 9.824 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.127 0.980 10.078 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.083 1.914 12.132 1.00 1.28 H new ATOM 0 HE3 LYS A 122 10.838 0.332 12.108 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.141 1.478 13.590 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 13.029 1.694 12.159 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.041 2.946 12.742 1.00 1.79 H new ATOM 1184 N LEU A 123 10.028 4.069 5.323 1.00 0.17 N ATOM 1185 CA LEU A 123 9.143 4.076 4.169 1.00 0.14 C ATOM 1186 C LEU A 123 8.786 2.661 3.733 1.00 0.12 C ATOM 1187 O LEU A 123 7.635 2.371 3.417 1.00 0.12 O ATOM 1188 CB LEU A 123 9.848 4.796 3.033 1.00 0.16 C ATOM 1189 CG LEU A 123 9.243 4.607 1.653 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.031 5.500 1.460 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.295 4.885 0.615 1.00 0.21 C ATOM 0 H LEU A 123 10.828 4.695 5.228 1.00 0.17 H new ATOM 0 HA LEU A 123 8.216 4.584 4.435 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.864 5.862 3.259 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.885 4.460 3.003 1.00 0.16 H new ATOM 0 HG LEU A 123 8.900 3.578 1.548 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.619 5.343 0.463 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.276 5.256 2.207 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.326 6.543 1.571 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.869 4.752 -0.379 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.651 5.910 0.723 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.129 4.196 0.748 1.00 0.21 H new ATOM 1203 N TYR A 124 9.779 1.777 3.747 1.00 0.13 N ATOM 1204 CA TYR A 124 9.590 0.417 3.273 1.00 0.13 C ATOM 1205 C TYR A 124 8.571 -0.313 4.118 1.00 0.13 C ATOM 1206 O TYR A 124 7.734 -1.008 3.584 1.00 0.14 O ATOM 1207 CB TYR A 124 10.910 -0.341 3.261 1.00 0.14 C ATOM 1208 CG TYR A 124 11.875 0.144 2.214 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.830 -0.378 0.939 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.829 1.114 2.496 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.698 0.041 -0.031 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.712 1.545 1.524 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.642 1.003 0.258 1.00 0.24 C ATOM 1214 OH TYR A 124 14.516 1.424 -0.719 1.00 0.31 O ATOM 0 H TYR A 124 10.721 1.981 4.082 1.00 0.13 H new ATOM 0 HA TYR A 124 9.214 0.469 2.251 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.378 -0.254 4.242 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.710 -1.400 3.096 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.095 -1.133 0.702 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.881 1.537 3.488 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.644 -0.382 -1.023 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.450 2.299 1.754 1.00 0.26 H new ATOM 0 HH TYR A 124 15.115 2.106 -0.350 1.00 0.31 H new ATOM 1224 N VAL A 125 8.633 -0.143 5.429 1.00 0.13 N ATOM 1225 CA VAL A 125 7.641 -0.749 6.314 1.00 0.14 C ATOM 1226 C VAL A 125 6.226 -0.361 5.898 1.00 0.12 C ATOM 1227 O VAL A 125 5.329 -1.196 5.874 1.00 0.14 O ATOM 1228 CB VAL A 125 7.867 -0.345 7.779 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.748 -0.868 8.672 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.214 -0.859 8.246 1.00 0.23 C ATOM 0 H VAL A 125 9.351 0.404 5.904 1.00 0.13 H new ATOM 0 HA VAL A 125 7.759 -1.829 6.227 1.00 0.14 H new ATOM 0 HB VAL A 125 7.858 0.743 7.847 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.934 -0.567 9.703 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.795 -0.456 8.340 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.713 -1.956 8.612 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.373 -0.572 9.285 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.238 -1.946 8.162 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.002 -0.430 7.627 1.00 0.23 H new ATOM 1240 N TYR A 126 6.047 0.900 5.545 1.00 0.11 N ATOM 1241 CA TYR A 126 4.747 1.406 5.140 1.00 0.11 C ATOM 1242 C TYR A 126 4.404 0.908 3.740 1.00 0.10 C ATOM 1243 O TYR A 126 3.241 0.689 3.412 1.00 0.11 O ATOM 1244 CB TYR A 126 4.758 2.931 5.236 1.00 0.12 C ATOM 1245 CG TYR A 126 5.260 3.386 6.589 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.744 2.828 7.751 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.277 4.326 6.710 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.218 3.193 8.993 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.765 4.694 7.953 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.229 4.123 9.090 1.00 0.20 C ATOM 1251 OH TYR A 126 6.712 4.472 10.332 1.00 0.25 O ATOM 0 H TYR A 126 6.792 1.597 5.531 1.00 0.11 H new ATOM 0 HA TYR A 126 3.967 1.034 5.804 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.392 3.344 4.451 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.752 3.317 5.069 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.956 2.093 7.680 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.693 4.776 5.821 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.799 2.752 9.885 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.559 5.422 8.032 1.00 0.20 H new ATOM 0 HH TYR A 126 7.423 5.138 10.231 1.00 0.25 H new ATOM 1261 N ILE A 127 5.440 0.713 2.932 1.00 0.11 N ATOM 1262 CA ILE A 127 5.321 0.018 1.653 1.00 0.11 C ATOM 1263 C ILE A 127 4.839 -1.417 1.883 1.00 0.11 C ATOM 1264 O ILE A 127 3.866 -1.870 1.278 1.00 0.11 O ATOM 1265 CB ILE A 127 6.687 -0.003 0.923 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.047 1.405 0.454 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.672 -0.974 -0.243 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.519 1.597 0.171 1.00 0.11 C ATOM 0 H ILE A 127 6.386 1.031 3.144 1.00 0.11 H new ATOM 0 HA ILE A 127 4.597 0.548 1.034 1.00 0.11 H new ATOM 0 HB ILE A 127 7.448 -0.346 1.624 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.480 1.633 -0.449 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.736 2.121 1.214 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.644 -0.966 -0.735 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.458 -1.978 0.123 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.902 -0.676 -0.955 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.696 2.621 -0.157 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.092 1.402 1.077 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.832 0.906 -0.612 1.00 0.11 H new ATOM 1280 N ASN A 128 5.544 -2.107 2.774 1.00 0.12 N ATOM 1281 CA ASN A 128 5.219 -3.461 3.187 1.00 0.14 C ATOM 1282 C ASN A 128 3.783 -3.539 3.682 1.00 0.14 C ATOM 1283 O ASN A 128 3.018 -4.411 3.261 1.00 0.16 O ATOM 1284 CB ASN A 128 6.159 -3.891 4.325 1.00 0.20 C ATOM 1285 CG ASN A 128 7.600 -4.137 3.900 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.326 -4.874 4.551 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.031 -3.520 2.820 1.00 0.26 N ATOM 0 H ASN A 128 6.372 -1.731 3.236 1.00 0.12 H new ATOM 0 HA ASN A 128 5.339 -4.122 2.328 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.148 -3.122 5.097 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.767 -4.802 4.777 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.993 -3.651 2.507 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.403 -2.911 2.296 1.00 0.26 H new ATOM 1294 N GLU A 129 3.430 -2.621 4.581 1.00 0.13 N ATOM 1295 CA GLU A 129 2.080 -2.555 5.116 1.00 0.16 C ATOM 1296 C GLU A 129 1.085 -2.409 4.000 1.00 0.15 C ATOM 1297 O GLU A 129 0.276 -3.287 3.775 1.00 0.17 O ATOM 1298 CB GLU A 129 1.910 -1.370 6.063 1.00 0.23 C ATOM 1299 CG GLU A 129 2.573 -1.559 7.404 1.00 0.29 C ATOM 1300 CD GLU A 129 2.140 -0.517 8.413 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.028 -0.647 8.965 1.00 0.90 O ATOM 1302 OE2 GLU A 129 2.908 0.428 8.670 1.00 1.03 O ATOM 0 H GLU A 129 4.065 -1.914 4.952 1.00 0.13 H new ATOM 0 HA GLU A 129 1.907 -3.481 5.664 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.319 -0.477 5.589 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.846 -1.190 6.217 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.336 -2.552 7.787 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.655 -1.514 7.281 1.00 0.29 H new ATOM 1309 N LEU A 130 1.205 -1.312 3.280 1.00 0.14 N ATOM 1310 CA LEU A 130 0.284 -0.961 2.213 1.00 0.15 C ATOM 1311 C LEU A 130 0.063 -2.117 1.233 1.00 0.15 C ATOM 1312 O LEU A 130 -1.067 -2.377 0.825 1.00 0.18 O ATOM 1313 CB LEU A 130 0.848 0.254 1.492 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.129 1.043 0.637 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.437 1.266 1.379 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.502 2.374 0.274 1.00 0.12 C ATOM 0 H LEU A 130 1.951 -0.631 3.419 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.692 -0.737 2.643 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.272 0.927 2.237 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.670 -0.076 0.856 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.351 0.479 -0.269 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.121 1.833 0.748 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.884 0.303 1.626 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.245 1.822 2.296 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.191 2.950 -0.340 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.728 2.930 1.184 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.423 2.200 -0.283 1.00 0.12 H new ATOM 1328 N CYS A 131 1.134 -2.817 0.880 1.00 0.14 N ATOM 1329 CA CYS A 131 1.034 -3.948 -0.039 1.00 0.17 C ATOM 1330 C CYS A 131 0.275 -5.113 0.603 1.00 0.18 C ATOM 1331 O CYS A 131 -0.619 -5.701 -0.012 1.00 0.21 O ATOM 1332 CB CYS A 131 2.431 -4.406 -0.472 1.00 0.20 C ATOM 1333 SG CYS A 131 2.434 -5.801 -1.624 1.00 0.53 S ATOM 0 H CYS A 131 2.078 -2.624 1.213 1.00 0.14 H new ATOM 0 HA CYS A 131 0.478 -3.621 -0.918 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.948 -3.566 -0.936 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.001 -4.681 0.415 1.00 0.20 H new ATOM 0 HG CYS A 131 3.405 -5.658 -2.477 1.00 0.53 H new ATOM 1339 N THR A 132 0.620 -5.434 1.844 1.00 0.19 N ATOM 1340 CA THR A 132 -0.021 -6.533 2.551 1.00 0.23 C ATOM 1341 C THR A 132 -1.454 -6.160 2.902 1.00 0.21 C ATOM 1342 O THR A 132 -2.363 -6.983 2.842 1.00 0.22 O ATOM 1343 CB THR A 132 0.746 -6.885 3.837 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.141 -7.020 3.542 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.220 -8.182 4.436 1.00 0.36 C ATOM 0 H THR A 132 1.339 -4.949 2.380 1.00 0.19 H new ATOM 0 HA THR A 132 -0.018 -7.404 1.895 1.00 0.23 H new ATOM 0 HB THR A 132 0.601 -6.084 4.561 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.541 -6.131 3.439 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.775 -8.414 5.345 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.837 -8.070 4.675 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.345 -8.992 3.717 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.625 -4.891 3.231 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.915 -4.301 3.544 1.00 0.17 C ATOM 1355 C VAL A 133 -3.915 -4.592 2.440 1.00 0.18 C ATOM 1356 O VAL A 133 -5.073 -4.927 2.702 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.751 -2.771 3.726 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.045 -2.026 3.471 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.226 -2.450 5.119 1.00 0.18 C ATOM 0 H VAL A 133 -0.853 -4.227 3.289 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.291 -4.738 4.469 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.026 -2.435 2.985 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.883 -0.957 3.610 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.377 -2.213 2.450 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.807 -2.371 4.169 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.118 -1.371 5.227 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.927 -2.821 5.867 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.257 -2.928 5.262 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.447 -4.489 1.208 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.281 -4.736 0.054 1.00 0.20 C ATOM 1371 C LEU A 134 -4.865 -6.145 0.092 1.00 0.23 C ATOM 1372 O LEU A 134 -6.073 -6.315 0.058 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.465 -4.514 -1.222 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.951 -3.085 -1.386 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -2.026 -2.963 -2.576 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.110 -2.126 -1.534 1.00 0.20 C ATOM 0 H LEU A 134 -2.485 -4.234 0.985 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.118 -4.037 0.066 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.616 -5.198 -1.222 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -4.080 -4.770 -2.084 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.385 -2.831 -0.490 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.679 -1.933 -2.663 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.170 -3.624 -2.441 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.561 -3.243 -3.483 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.730 -1.111 -1.650 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.696 -2.397 -2.412 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.741 -2.178 -0.647 1.00 0.20 H new ATOM 1388 N LYS A 135 -4.020 -7.148 0.237 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.487 -8.526 0.187 1.00 0.29 C ATOM 1390 C LYS A 135 -5.108 -8.968 1.501 1.00 0.30 C ATOM 1391 O LYS A 135 -5.970 -9.844 1.528 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.358 -9.461 -0.209 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.191 -9.578 -1.709 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.462 -10.081 -2.377 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.211 -10.386 -3.845 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.359 -11.083 -4.477 1.00 1.59 N ATOM 0 H LYS A 135 -3.017 -7.040 0.389 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.267 -8.573 -0.573 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.426 -9.103 0.229 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.548 -10.450 0.209 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.922 -8.606 -2.123 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.369 -10.258 -1.932 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.815 -10.978 -1.869 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.248 -9.332 -2.285 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.014 -9.456 -4.379 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.317 -11.003 -3.939 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.052 -12.015 -4.822 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -6.118 -11.206 -3.777 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.712 -10.517 -5.275 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.653 -8.376 2.589 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.174 -8.700 3.906 1.00 0.30 C ATOM 1412 C ALA A 136 -6.662 -8.392 4.002 1.00 0.31 C ATOM 1413 O ALA A 136 -7.407 -9.112 4.667 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.420 -7.936 4.986 1.00 0.33 C ATOM 0 H ALA A 136 -3.921 -7.666 2.588 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.031 -9.770 4.061 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.826 -8.193 5.964 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.364 -8.202 4.950 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.530 -6.865 4.818 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.098 -7.323 3.344 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.467 -6.874 3.491 1.00 0.35 C ATOM 1422 C HIS A 137 -9.268 -6.960 2.195 1.00 0.35 C ATOM 1423 O HIS A 137 -10.498 -6.966 2.221 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.487 -5.456 4.035 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.626 -5.264 5.248 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -6.417 -4.671 5.381 1.00 0.48 N flip ATOM 1427 CD2 HIS A 137 -7.950 -5.748 6.493 1.00 0.43 C flip ATOM 1428 CE1 HIS A 137 -6.033 -4.810 6.689 1.00 0.51 C flip ATOM 1429 NE2 HIS A 137 -6.977 -5.463 7.339 1.00 0.49 N flip ATOM 0 H HIS A 137 -6.527 -6.761 2.713 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.952 -7.549 4.196 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.156 -4.772 3.254 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.514 -5.185 4.282 1.00 0.39 H new ATOM 0 HD1 HIS A 137 -5.888 -4.206 4.643 1.00 0.48 H new ATOM 0 HD2 HIS A 137 -8.858 -6.278 6.740 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -5.111 -4.445 7.117 1.00 0.51 H new ATOM 1438 N SER A 138 -8.588 -7.044 1.067 1.00 0.31 N ATOM 1439 CA SER A 138 -9.275 -7.141 -0.211 1.00 0.33 C ATOM 1440 C SER A 138 -8.765 -8.335 -1.002 1.00 0.55 C ATOM 1441 O SER A 138 -7.751 -8.937 -0.653 1.00 1.05 O ATOM 1442 CB SER A 138 -9.112 -5.858 -1.041 1.00 0.38 C ATOM 1443 OG SER A 138 -7.844 -5.794 -1.653 1.00 1.00 O ATOM 0 H SER A 138 -7.570 -7.047 1.007 1.00 0.31 H new ATOM 0 HA SER A 138 -10.336 -7.276 -0.000 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.888 -5.817 -1.805 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.251 -4.988 -0.399 1.00 0.38 H new ATOM 0 HG SER A 138 -7.147 -5.932 -0.978 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.485 -8.629 -2.075 1.00 0.38 N ATOM 1450 CA ALA A 139 -9.204 -9.741 -2.978 1.00 0.60 C ATOM 1451 C ALA A 139 -8.801 -11.005 -2.228 1.00 1.01 C ATOM 1452 O ALA A 139 -7.620 -11.341 -2.122 1.00 1.45 O ATOM 1453 CB ALA A 139 -8.160 -9.340 -3.999 1.00 1.41 C ATOM 0 H ALA A 139 -10.304 -8.087 -2.351 1.00 0.38 H new ATOM 0 HA ALA A 139 -10.127 -9.980 -3.507 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -7.961 -10.180 -4.665 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.526 -8.494 -4.581 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -7.240 -9.057 -3.487 1.00 1.41 H new ATOM 1459 N LYS A 140 -9.807 -11.713 -1.743 1.00 1.55 N ATOM 1460 CA LYS A 140 -9.596 -12.909 -0.933 1.00 2.37 C ATOM 1461 C LYS A 140 -10.154 -14.112 -1.668 1.00 2.97 C ATOM 1462 O LYS A 140 -9.738 -15.253 -1.451 1.00 3.60 O ATOM 1463 CB LYS A 140 -10.294 -12.767 0.423 1.00 2.91 C ATOM 1464 CG LYS A 140 -9.777 -11.617 1.269 1.00 3.65 C ATOM 1465 CD LYS A 140 -10.650 -11.401 2.496 1.00 4.31 C ATOM 1466 CE LYS A 140 -10.083 -10.320 3.402 1.00 5.16 C ATOM 1467 NZ LYS A 140 -10.999 -9.994 4.528 1.00 5.98 N ATOM 0 H LYS A 140 -10.788 -11.480 -1.896 1.00 1.55 H new ATOM 0 HA LYS A 140 -8.527 -13.040 -0.763 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -11.363 -12.630 0.257 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -10.175 -13.696 0.980 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -8.753 -11.823 1.580 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -9.752 -10.705 0.672 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -11.657 -11.123 2.183 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -10.735 -12.335 3.052 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -9.123 -10.649 3.800 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -9.894 -9.420 2.817 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -10.572 -9.253 5.119 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -11.907 -9.655 4.150 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -11.159 -10.846 5.103 1.00 5.98 H new ATOM 1481 N LYS A 141 -11.101 -13.824 -2.543 1.00 3.06 N ATOM 1482 CA LYS A 141 -11.776 -14.824 -3.329 1.00 3.93 C ATOM 1483 C LYS A 141 -10.808 -15.471 -4.315 1.00 4.23 C ATOM 1484 O LYS A 141 -10.306 -14.820 -5.229 1.00 4.43 O ATOM 1485 CB LYS A 141 -12.941 -14.159 -4.046 1.00 4.13 C ATOM 1486 CG LYS A 141 -13.651 -15.056 -5.035 1.00 5.03 C ATOM 1487 CD LYS A 141 -14.813 -14.343 -5.709 1.00 5.51 C ATOM 1488 CE LYS A 141 -15.592 -15.284 -6.610 1.00 6.31 C ATOM 1489 NZ LYS A 141 -16.687 -14.587 -7.336 1.00 6.50 N ATOM 0 H LYS A 141 -11.422 -12.873 -2.725 1.00 3.06 H new ATOM 0 HA LYS A 141 -12.155 -15.619 -2.687 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -13.661 -13.813 -3.304 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -12.575 -13.276 -4.570 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -12.944 -15.394 -5.792 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -14.018 -15.945 -4.522 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -15.478 -13.930 -4.950 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -14.437 -13.504 -6.295 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -14.913 -15.740 -7.331 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -16.012 -16.093 -6.012 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -17.192 -15.268 -7.939 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -17.350 -14.174 -6.650 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -16.286 -13.832 -7.928 1.00 6.50 H new ATOM 1503 N LYS A 142 -10.542 -16.748 -4.101 1.00 4.72 N ATOM 1504 CA LYS A 142 -9.561 -17.478 -4.887 1.00 5.36 C ATOM 1505 C LYS A 142 -10.104 -17.817 -6.270 1.00 5.84 C ATOM 1506 O LYS A 142 -11.082 -18.557 -6.401 1.00 6.44 O ATOM 1507 CB LYS A 142 -9.203 -18.760 -4.152 1.00 6.09 C ATOM 1508 CG LYS A 142 -9.183 -18.577 -2.645 1.00 6.27 C ATOM 1509 CD LYS A 142 -9.784 -19.767 -1.917 1.00 6.25 C ATOM 1510 CE LYS A 142 -10.961 -20.364 -2.676 1.00 7.00 C ATOM 1511 NZ LYS A 142 -11.564 -21.516 -1.961 1.00 7.51 N ATOM 0 H LYS A 142 -10.998 -17.307 -3.380 1.00 4.72 H new ATOM 0 HA LYS A 142 -8.678 -16.853 -5.016 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -9.922 -19.537 -4.411 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -8.225 -19.106 -4.486 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -8.156 -18.430 -2.312 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -9.736 -17.675 -2.382 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -9.019 -20.530 -1.776 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -10.112 -19.457 -0.925 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -11.719 -19.596 -2.829 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -10.629 -20.685 -3.663 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -12.361 -21.890 -2.515 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -10.849 -22.261 -1.837 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -11.905 -21.206 -1.029 1.00 7.51 H new ATOM 1525 N LEU A 143 -9.467 -17.270 -7.298 1.00 5.94 N ATOM 1526 CA LEU A 143 -9.809 -17.601 -8.668 1.00 6.75 C ATOM 1527 C LEU A 143 -9.401 -19.035 -8.975 1.00 7.48 C ATOM 1528 O LEU A 143 -10.056 -19.730 -9.753 1.00 8.28 O ATOM 1529 CB LEU A 143 -9.142 -16.640 -9.657 1.00 7.07 C ATOM 1530 CG LEU A 143 -9.831 -15.284 -9.844 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -9.787 -14.459 -8.565 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -9.184 -14.527 -10.992 1.00 7.50 C ATOM 0 H LEU A 143 -8.709 -16.594 -7.204 1.00 5.94 H new ATOM 0 HA LEU A 143 -10.889 -17.502 -8.780 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -8.118 -16.463 -9.327 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -9.083 -17.132 -10.628 1.00 7.07 H new ATOM 0 HG LEU A 143 -10.879 -15.464 -10.083 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -10.284 -13.503 -8.731 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -10.296 -14.999 -7.766 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -8.749 -14.284 -8.281 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -9.680 -13.564 -11.118 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -8.129 -14.366 -10.773 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -9.279 -15.107 -11.910 1.00 7.50 H new ATOM 1544 N ASN A 144 -8.312 -19.464 -8.352 1.00 7.45 N ATOM 1545 CA ASN A 144 -7.824 -20.824 -8.479 1.00 8.37 C ATOM 1546 C ASN A 144 -7.055 -21.212 -7.220 1.00 8.41 C ATOM 1547 O ASN A 144 -5.982 -20.627 -6.958 1.00 8.66 O ATOM 1548 CB ASN A 144 -6.963 -21.002 -9.744 1.00 8.96 C ATOM 1549 CG ASN A 144 -5.738 -20.102 -9.797 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -4.640 -20.499 -9.404 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -5.912 -18.886 -10.296 1.00 8.96 N ATOM 1552 OXT ASN A 144 -7.553 -22.070 -6.468 1.00 8.44 O ATOM 0 H ASN A 144 -7.743 -18.875 -7.744 1.00 7.45 H new ATOM 0 HA ASN A 144 -8.679 -21.492 -8.587 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -6.639 -22.041 -9.806 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -7.581 -20.808 -10.621 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -5.122 -18.245 -10.364 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -6.836 -18.592 -10.612 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 3.665 -22.074 5.033 1.00 6.31 N ATOM 1561 CA GLY B 22 3.902 -20.827 5.797 1.00 6.12 C ATOM 1562 C GLY B 22 4.370 -19.715 4.896 1.00 5.43 C ATOM 1563 O GLY B 22 5.435 -19.821 4.288 1.00 5.38 O ATOM 0 HA2 GLY B 22 2.984 -20.527 6.302 1.00 6.12 H new ATOM 0 HA3 GLY B 22 4.647 -21.008 6.572 1.00 6.12 H new ATOM 1569 N SER B 23 3.572 -18.656 4.800 1.00 5.22 N ATOM 1570 CA SER B 23 3.868 -17.541 3.914 1.00 4.79 C ATOM 1571 C SER B 23 3.975 -18.016 2.466 1.00 4.18 C ATOM 1572 O SER B 23 5.061 -18.074 1.887 1.00 4.62 O ATOM 1573 CB SER B 23 5.146 -16.820 4.361 1.00 5.71 C ATOM 1574 OG SER B 23 4.957 -16.199 5.627 1.00 6.30 O ATOM 0 H SER B 23 2.708 -18.549 5.331 1.00 5.22 H new ATOM 0 HA SER B 23 3.046 -16.827 3.970 1.00 4.79 H new ATOM 0 HB2 SER B 23 5.970 -17.532 4.419 1.00 5.71 H new ATOM 0 HB3 SER B 23 5.424 -16.070 3.621 1.00 5.71 H new ATOM 0 HG SER B 23 5.783 -15.746 5.896 1.00 6.30 H new ATOM 1580 N GLN B 24 2.824 -18.357 1.890 1.00 3.65 N ATOM 1581 CA GLN B 24 2.747 -18.783 0.497 1.00 3.63 C ATOM 1582 C GLN B 24 3.099 -17.606 -0.401 1.00 2.91 C ATOM 1583 O GLN B 24 3.467 -17.764 -1.566 1.00 3.33 O ATOM 1584 CB GLN B 24 1.339 -19.288 0.179 1.00 4.12 C ATOM 1585 CG GLN B 24 0.853 -20.369 1.116 1.00 4.90 C ATOM 1586 CD GLN B 24 1.589 -21.688 0.962 1.00 5.51 C ATOM 1587 OE1 GLN B 24 2.748 -21.730 0.557 1.00 5.87 O ATOM 1588 NE2 GLN B 24 0.919 -22.774 1.304 1.00 6.00 N ATOM 0 H GLN B 24 1.926 -18.346 2.373 1.00 3.65 H new ATOM 0 HA GLN B 24 3.451 -19.597 0.323 1.00 3.63 H new ATOM 0 HB2 GLN B 24 0.645 -18.448 0.217 1.00 4.12 H new ATOM 0 HB3 GLN B 24 1.322 -19.670 -0.842 1.00 4.12 H new ATOM 0 HG2 GLN B 24 0.960 -20.022 2.144 1.00 4.90 H new ATOM 0 HG3 GLN B 24 -0.211 -20.535 0.945 1.00 4.90 H new ATOM 0 HE21 GLN B 24 -0.042 -22.697 1.636 1.00 6.00 H new ATOM 0 HE22 GLN B 24 1.363 -23.690 1.236 1.00 6.00 H new ATOM 1597 N GLU B 25 2.963 -16.422 0.176 1.00 2.35 N ATOM 1598 CA GLU B 25 3.383 -15.192 -0.448 1.00 2.01 C ATOM 1599 C GLU B 25 3.968 -14.285 0.622 1.00 1.56 C ATOM 1600 O GLU B 25 3.415 -14.165 1.721 1.00 1.77 O ATOM 1601 CB GLU B 25 2.211 -14.500 -1.144 1.00 2.30 C ATOM 1602 CG GLU B 25 2.583 -13.174 -1.785 1.00 2.88 C ATOM 1603 CD GLU B 25 1.409 -12.493 -2.458 1.00 3.50 C ATOM 1604 OE1 GLU B 25 0.556 -11.925 -1.746 1.00 4.06 O ATOM 1605 OE2 GLU B 25 1.326 -12.529 -3.707 1.00 3.84 O ATOM 0 H GLU B 25 2.552 -16.294 1.101 1.00 2.35 H new ATOM 0 HA GLU B 25 4.133 -15.411 -1.208 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.810 -15.164 -1.909 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.415 -14.333 -0.418 1.00 2.30 H new ATOM 0 HG2 GLU B 25 2.993 -12.511 -1.023 1.00 2.88 H new ATOM 0 HG3 GLU B 25 3.370 -13.340 -2.520 1.00 2.88 H new ATOM 1612 N ASP B 26 5.089 -13.676 0.307 1.00 1.15 N ATOM 1613 CA ASP B 26 5.759 -12.776 1.231 1.00 0.84 C ATOM 1614 C ASP B 26 4.980 -11.481 1.343 1.00 0.89 C ATOM 1615 O ASP B 26 4.577 -10.894 0.339 1.00 1.83 O ATOM 1616 CB ASP B 26 7.179 -12.468 0.762 1.00 0.68 C ATOM 1617 CG ASP B 26 8.114 -13.657 0.841 1.00 1.00 C ATOM 1618 OD1 ASP B 26 8.197 -14.411 -0.149 1.00 1.49 O ATOM 1619 OD2 ASP B 26 8.757 -13.849 1.896 1.00 1.27 O ATOM 0 H ASP B 26 5.563 -13.786 -0.589 1.00 1.15 H new ATOM 0 HA ASP B 26 5.809 -13.265 2.204 1.00 0.84 H new ATOM 0 HB2 ASP B 26 7.144 -12.112 -0.268 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.584 -11.657 1.366 1.00 0.68 H new ATOM 1624 N SER B 27 4.756 -11.045 2.566 1.00 0.55 N ATOM 1625 CA SER B 27 4.033 -9.822 2.802 1.00 0.54 C ATOM 1626 C SER B 27 4.987 -8.642 2.856 1.00 0.44 C ATOM 1627 O SER B 27 5.116 -7.875 1.905 1.00 0.53 O ATOM 1628 CB SER B 27 3.227 -9.947 4.097 1.00 0.75 C ATOM 1629 OG SER B 27 4.041 -10.401 5.172 1.00 1.37 O ATOM 0 H SER B 27 5.067 -11.524 3.411 1.00 0.55 H new ATOM 0 HA SER B 27 3.341 -9.646 1.979 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.791 -8.981 4.351 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.399 -10.640 3.947 1.00 0.75 H new ATOM 0 HG SER B 27 4.214 -9.658 5.788 1.00 1.37 H new ATOM 1635 N ASP B 28 5.669 -8.530 3.966 1.00 0.43 N ATOM 1636 CA ASP B 28 6.639 -7.472 4.184 1.00 0.37 C ATOM 1637 C ASP B 28 7.982 -7.895 3.607 1.00 0.33 C ATOM 1638 O ASP B 28 8.660 -7.123 2.927 1.00 0.31 O ATOM 1639 CB ASP B 28 6.773 -7.182 5.692 1.00 0.44 C ATOM 1640 CG ASP B 28 5.435 -7.212 6.411 1.00 0.95 C ATOM 1641 OD1 ASP B 28 4.955 -8.324 6.729 1.00 1.07 O ATOM 1642 OD2 ASP B 28 4.859 -6.130 6.653 1.00 1.83 O ATOM 0 H ASP B 28 5.571 -9.171 4.753 1.00 0.43 H new ATOM 0 HA ASP B 28 6.304 -6.563 3.685 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.440 -7.917 6.142 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.235 -6.205 5.831 1.00 0.44 H new ATOM 1647 N SER B 29 8.324 -9.153 3.841 1.00 0.36 N ATOM 1648 CA SER B 29 9.611 -9.699 3.439 1.00 0.34 C ATOM 1649 C SER B 29 9.825 -9.631 1.936 1.00 0.33 C ATOM 1650 O SER B 29 10.958 -9.548 1.467 1.00 0.34 O ATOM 1651 CB SER B 29 9.723 -11.136 3.923 1.00 0.39 C ATOM 1652 OG SER B 29 8.544 -11.873 3.630 1.00 1.07 O ATOM 0 H SER B 29 7.718 -9.823 4.314 1.00 0.36 H new ATOM 0 HA SER B 29 10.390 -9.089 3.897 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.581 -11.615 3.451 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.904 -11.147 4.998 1.00 0.39 H new ATOM 0 HG SER B 29 8.750 -12.573 2.976 1.00 1.07 H new ATOM 1658 N GLU B 30 8.727 -9.648 1.200 1.00 0.35 N ATOM 1659 CA GLU B 30 8.758 -9.594 -0.260 1.00 0.37 C ATOM 1660 C GLU B 30 9.565 -8.399 -0.741 1.00 0.34 C ATOM 1661 O GLU B 30 10.315 -8.482 -1.709 1.00 0.39 O ATOM 1662 CB GLU B 30 7.346 -9.501 -0.803 1.00 0.45 C ATOM 1663 CG GLU B 30 7.277 -9.682 -2.293 1.00 0.68 C ATOM 1664 CD GLU B 30 7.722 -11.052 -2.765 1.00 1.37 C ATOM 1665 OE1 GLU B 30 8.942 -11.279 -2.882 1.00 2.33 O ATOM 1666 OE2 GLU B 30 6.851 -11.905 -3.041 1.00 1.57 O ATOM 0 H GLU B 30 7.787 -9.700 1.593 1.00 0.35 H new ATOM 0 HA GLU B 30 9.232 -10.505 -0.625 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.727 -10.258 -0.322 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.925 -8.531 -0.541 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.253 -9.509 -2.623 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.898 -8.924 -2.771 1.00 0.68 H new ATOM 1673 N LEU B 31 9.409 -7.294 -0.044 1.00 0.28 N ATOM 1674 CA LEU B 31 10.115 -6.077 -0.357 1.00 0.24 C ATOM 1675 C LEU B 31 11.567 -6.233 0.036 1.00 0.25 C ATOM 1676 O LEU B 31 12.487 -5.985 -0.745 1.00 0.26 O ATOM 1677 CB LEU B 31 9.544 -4.923 0.433 1.00 0.20 C ATOM 1678 CG LEU B 31 8.103 -4.486 0.131 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.973 -3.871 -1.244 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.129 -5.629 0.293 1.00 0.24 C ATOM 0 H LEU B 31 8.785 -7.218 0.759 1.00 0.28 H new ATOM 0 HA LEU B 31 10.016 -5.881 -1.425 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.600 -5.182 1.490 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.193 -4.061 0.281 1.00 0.20 H new ATOM 0 HG LEU B 31 7.852 -3.719 0.863 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.937 -3.577 -1.415 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.616 -2.993 -1.312 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.272 -4.599 -1.998 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.120 -5.281 0.071 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.395 -6.433 -0.393 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.168 -5.998 1.318 1.00 0.24 H new ATOM 1692 N GLU B 32 11.728 -6.664 1.277 1.00 0.26 N ATOM 1693 CA GLU B 32 13.031 -6.810 1.926 1.00 0.29 C ATOM 1694 C GLU B 32 14.004 -7.637 1.101 1.00 0.33 C ATOM 1695 O GLU B 32 15.220 -7.546 1.281 1.00 0.38 O ATOM 1696 CB GLU B 32 12.886 -7.479 3.292 1.00 0.29 C ATOM 1697 CG GLU B 32 11.679 -7.039 4.102 1.00 0.26 C ATOM 1698 CD GLU B 32 11.734 -7.577 5.519 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.518 -8.792 5.706 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.024 -6.795 6.445 1.00 0.47 O ATOM 0 H GLU B 32 10.946 -6.928 1.876 1.00 0.26 H new ATOM 0 HA GLU B 32 13.427 -5.800 2.032 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.832 -8.558 3.147 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.786 -7.280 3.874 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.633 -5.950 4.127 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.767 -7.385 3.615 1.00 0.26 H new ATOM 1707 N GLN B 33 13.455 -8.458 0.226 1.00 0.35 N ATOM 1708 CA GLN B 33 14.244 -9.344 -0.621 1.00 0.40 C ATOM 1709 C GLN B 33 15.315 -8.572 -1.367 1.00 0.39 C ATOM 1710 O GLN B 33 16.489 -8.945 -1.367 1.00 0.48 O ATOM 1711 CB GLN B 33 13.347 -10.048 -1.629 1.00 0.43 C ATOM 1712 CG GLN B 33 12.205 -10.806 -1.004 1.00 0.47 C ATOM 1713 CD GLN B 33 12.667 -11.932 -0.108 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.892 -13.054 -0.559 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.786 -11.644 1.175 1.00 0.57 N ATOM 0 H GLN B 33 12.448 -8.532 0.079 1.00 0.35 H new ATOM 0 HA GLN B 33 14.722 -10.081 0.025 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.944 -9.308 -2.321 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.950 -10.739 -2.217 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.591 -10.116 -0.425 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.571 -11.212 -1.792 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.589 -10.699 1.506 1.00 0.57 H new ATOM 0 HE22 GLN B 33 13.075 -12.366 1.835 1.00 0.57 H new ATOM 1724 N TYR B 34 14.897 -7.484 -1.984 1.00 0.32 N ATOM 1725 CA TYR B 34 15.775 -6.710 -2.839 1.00 0.32 C ATOM 1726 C TYR B 34 15.984 -5.296 -2.315 1.00 0.30 C ATOM 1727 O TYR B 34 17.013 -4.681 -2.597 1.00 0.37 O ATOM 1728 CB TYR B 34 15.214 -6.676 -4.260 1.00 0.32 C ATOM 1729 CG TYR B 34 13.720 -6.882 -4.323 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.854 -5.997 -3.705 1.00 0.26 C ATOM 1731 CD2 TYR B 34 13.177 -7.965 -4.999 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.501 -6.174 -3.752 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.810 -8.152 -5.053 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.975 -7.252 -4.427 1.00 0.34 C ATOM 1735 OH TYR B 34 9.614 -7.441 -4.473 1.00 0.40 O ATOM 0 H TYR B 34 13.949 -7.115 -1.908 1.00 0.32 H new ATOM 0 HA TYR B 34 16.750 -7.197 -2.844 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.460 -5.717 -4.716 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.704 -7.447 -4.854 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.257 -5.148 -3.174 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.832 -8.671 -5.489 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.845 -5.470 -3.261 1.00 0.26 H new ATOM 0 HE2 TYR B 34 11.398 -8.998 -5.582 1.00 0.42 H new ATOM 0 HH TYR B 34 9.160 -6.624 -4.179 1.00 0.40 H new ATOM 1745 N PHE B 35 15.035 -4.772 -1.544 1.00 0.27 N ATOM 1746 CA PHE B 35 15.161 -3.412 -1.052 1.00 0.26 C ATOM 1747 C PHE B 35 14.553 -3.236 0.331 1.00 0.25 C ATOM 1748 O PHE B 35 13.476 -3.744 0.616 1.00 0.25 O ATOM 1749 CB PHE B 35 14.558 -2.401 -2.040 1.00 0.25 C ATOM 1750 CG PHE B 35 13.140 -2.645 -2.479 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.101 -2.642 -1.577 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.855 -2.843 -3.819 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.807 -2.837 -1.986 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.556 -3.044 -4.241 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.530 -3.041 -3.322 1.00 0.18 C ATOM 0 H PHE B 35 14.188 -5.260 -1.253 1.00 0.27 H new ATOM 0 HA PHE B 35 16.229 -3.214 -0.964 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.608 -1.411 -1.586 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.189 -2.376 -2.928 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.308 -2.483 -0.529 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.657 -2.840 -4.542 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.005 -2.831 -1.263 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.345 -3.203 -5.288 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.512 -3.198 -3.646 1.00 0.18 H new ATOM 1765 N THR B 36 15.278 -2.521 1.183 1.00 0.27 N ATOM 1766 CA THR B 36 14.798 -2.123 2.505 1.00 0.27 C ATOM 1767 C THR B 36 15.736 -1.085 3.110 1.00 0.32 C ATOM 1768 O THR B 36 16.775 -0.771 2.536 1.00 0.45 O ATOM 1769 CB THR B 36 14.638 -3.316 3.473 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.525 -4.389 3.120 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.202 -3.795 3.470 1.00 0.27 C ATOM 0 H THR B 36 16.223 -2.198 0.976 1.00 0.27 H new ATOM 0 HA THR B 36 13.806 -1.694 2.364 1.00 0.27 H new ATOM 0 HB THR B 36 14.899 -2.982 4.477 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.406 -5.132 3.748 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.098 -4.636 4.155 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.547 -2.984 3.789 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.926 -4.110 2.464 1.00 0.27 H new ATOM 1779 N ALA B 37 15.364 -0.545 4.260 1.00 0.32 N ATOM 1780 CA ALA B 37 16.132 0.529 4.876 1.00 0.35 C ATOM 1781 C ALA B 37 16.688 0.095 6.220 1.00 0.43 C ATOM 1782 O ALA B 37 16.636 -1.082 6.572 1.00 0.53 O ATOM 1783 CB ALA B 37 15.264 1.766 5.056 1.00 0.29 C ATOM 0 H ALA B 37 14.538 -0.831 4.785 1.00 0.32 H new ATOM 0 HA ALA B 37 16.965 0.768 4.214 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.852 2.559 5.517 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.902 2.101 4.084 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.415 1.525 5.696 1.00 0.29 H new ATOM 1789 N ARG B 38 17.212 1.066 6.956 1.00 0.44 N ATOM 1790 CA ARG B 38 17.756 0.845 8.290 1.00 0.52 C ATOM 1791 C ARG B 38 16.772 0.094 9.193 1.00 0.56 C ATOM 1792 O ARG B 38 17.146 -0.884 9.843 1.00 0.67 O ATOM 1793 CB ARG B 38 18.163 2.187 8.926 1.00 0.57 C ATOM 1794 CG ARG B 38 17.001 3.075 9.343 1.00 0.67 C ATOM 1795 CD ARG B 38 16.496 3.931 8.207 1.00 0.93 C ATOM 1796 NE ARG B 38 17.382 5.056 7.907 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.413 5.694 6.731 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.676 5.264 5.712 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.184 6.759 6.575 1.00 2.94 N ATOM 0 H ARG B 38 17.272 2.035 6.643 1.00 0.44 H new ATOM 0 HA ARG B 38 18.641 0.217 8.187 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.780 1.985 9.802 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.784 2.735 8.218 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.187 2.453 9.716 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.315 3.717 10.167 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.385 3.314 7.315 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.506 4.311 8.457 1.00 0.93 H new ATOM 0 HE ARG B 38 18.016 5.374 8.640 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.082 4.443 5.823 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.705 5.755 4.819 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.755 7.094 7.351 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.207 7.245 5.678 1.00 2.94 H new ATOM 1813 N TRP B 39 15.519 0.542 9.197 1.00 0.54 N ATOM 1814 CA TRP B 39 14.454 -0.090 9.964 1.00 0.64 C ATOM 1815 C TRP B 39 14.766 -0.155 11.454 1.00 0.85 C ATOM 1816 O TRP B 39 15.183 -1.227 11.939 1.00 1.41 O ATOM 1817 CB TRP B 39 14.165 -1.473 9.387 1.00 0.60 C ATOM 1818 CG TRP B 39 13.456 -1.383 8.090 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.632 -0.435 7.140 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.453 -2.265 7.609 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.771 -0.654 6.094 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.041 -1.786 6.359 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.859 -3.412 8.121 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.051 -2.423 5.616 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.889 -4.040 7.381 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.492 -3.547 6.140 1.00 0.25 C ATOM 1827 OXT TRP B 39 14.554 0.868 12.136 1.00 1.45 O ATOM 0 H TRP B 39 15.215 1.357 8.665 1.00 0.54 H new ATOM 0 HA TRP B 39 13.560 0.527 9.876 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.101 -2.016 9.254 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.563 -2.044 10.093 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.345 0.374 7.197 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.687 -0.073 5.260 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.155 -3.802 9.084 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.738 -2.038 4.657 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.424 -4.934 7.768 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.726 -4.067 5.584 1.00 0.25 H new TER 1838 TRP B 39