USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.66) USER MOD Set 2.1: A 87 TYR OH : rot 150:sc= 0.846! USER MOD Set 2.2: A 95 THR OG1 : rot -105:sc= 1.49! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-1.9) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 49 THR OG1 : rot -57:sc= 1.08 USER MOD Single : A 52 ASN : amide:sc= 1.02 K(o=1,f=-11!) USER MOD Single : A 54 SER OG : rot -50:sc= 0.941 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.234 K(o=0.23,f=-4.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -174:sc= 1.92 USER MOD Single : A 66 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.28) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.292 X(o=0.29,f=0.0087) USER MOD Single : A 74 SER OG : rot -150:sc= 0.148 USER MOD Single : A 89 ASN : amide:sc= -7.32! C(o=-7.3!,f=-5.1!) USER MOD Single : A 92 LYS NZ :NH3+ -131:sc= 0.206! (180deg=-6.38!) USER MOD Single : A 93 TYR OH : rot -111:sc= 0.823 USER MOD Single : A 94 ASN : amide:sc=-0.00941 X(o=-0.0094,f=-0.16) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.372 K(o=0.37,f=-0.61) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 111 SER OG : rot 180:sc= -1.2 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 76:sc= -0.129 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-0.95!) USER MOD Single : B 233 LYS NZ :NH3+ -120:sc= -13.7! (180deg=-15.5!) USER MOD Single : B 234 ASN : amide:sc= -5.04! C(o=-5!,f=-5.9!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -5.708 5.618 -9.120 1.00 0.00 N ATOM 2 CA TYR A 44 -5.647 6.852 -8.283 1.00 0.00 C ATOM 3 C TYR A 44 -5.704 6.516 -6.792 1.00 0.00 C ATOM 4 O TYR A 44 -6.491 5.666 -6.376 1.00 0.00 O ATOM 5 CB TYR A 44 -6.817 7.769 -8.669 1.00 0.00 C ATOM 6 CG TYR A 44 -6.434 8.858 -9.646 1.00 0.00 C ATOM 7 CD1 TYR A 44 -6.472 8.634 -11.016 1.00 0.00 C ATOM 8 CD2 TYR A 44 -6.029 10.109 -9.196 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.118 9.626 -11.910 1.00 0.00 C ATOM 10 CE2 TYR A 44 -5.672 11.105 -10.087 1.00 0.00 C ATOM 11 CZ TYR A 44 -5.718 10.858 -11.440 1.00 0.00 C ATOM 12 OH TYR A 44 -5.360 11.845 -12.328 1.00 0.00 O ATOM 0 HA TYR A 44 -4.700 7.359 -8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.613 7.165 -9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.222 8.227 -7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.783 7.669 -11.388 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.992 10.306 -8.135 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.155 9.437 -12.973 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.359 12.072 -9.722 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.105 12.652 -11.834 1.00 0.00 H new ATOM 22 N CYS A 45 -4.867 7.183 -5.996 1.00 0.00 N ATOM 23 CA CYS A 45 -4.826 6.946 -4.551 1.00 0.00 C ATOM 24 C CYS A 45 -5.809 7.847 -3.805 1.00 0.00 C ATOM 25 O CYS A 45 -6.660 7.359 -3.063 1.00 0.00 O ATOM 26 CB CYS A 45 -3.411 7.159 -4.005 1.00 0.00 C ATOM 27 SG CYS A 45 -3.099 6.328 -2.415 1.00 0.00 S ATOM 0 H CYS A 45 -4.210 7.890 -6.326 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.120 5.909 -4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.691 6.798 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.236 8.228 -3.885 1.00 0.00 H new ATOM 32 N HIS A 46 -5.684 9.161 -4.003 1.00 0.00 N ATOM 33 CA HIS A 46 -6.564 10.124 -3.341 1.00 0.00 C ATOM 34 C HIS A 46 -7.928 10.203 -4.031 1.00 0.00 C ATOM 35 O HIS A 46 -8.962 10.146 -3.367 1.00 0.00 O ATOM 36 CB HIS A 46 -5.908 11.513 -3.286 1.00 0.00 C ATOM 37 CG HIS A 46 -5.581 12.096 -4.627 1.00 0.00 C ATOM 38 ND1 HIS A 46 -6.482 12.830 -5.366 1.00 0.00 N ATOM 39 CD2 HIS A 46 -4.443 12.055 -5.357 1.00 0.00 C ATOM 40 CE1 HIS A 46 -5.913 13.218 -6.495 1.00 0.00 C ATOM 41 NE2 HIS A 46 -4.673 12.761 -6.513 1.00 0.00 N ATOM 0 H HIS A 46 -4.984 9.581 -4.615 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.725 9.775 -2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.575 12.196 -2.759 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.992 11.446 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.524 11.559 -5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.381 13.807 -7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.997 12.908 -7.263 1.00 0.00 H new ATOM 50 N ARG A 47 -7.917 10.331 -5.365 1.00 0.00 N ATOM 51 CA ARG A 47 -9.146 10.420 -6.164 1.00 0.00 C ATOM 52 C ARG A 47 -10.105 11.496 -5.625 1.00 0.00 C ATOM 53 O ARG A 47 -9.732 12.311 -4.778 1.00 0.00 O ATOM 54 CB ARG A 47 -9.832 9.042 -6.239 1.00 0.00 C ATOM 55 CG ARG A 47 -10.864 8.775 -5.148 1.00 0.00 C ATOM 56 CD ARG A 47 -11.267 7.309 -5.117 1.00 0.00 C ATOM 57 NE ARG A 47 -12.639 7.107 -5.593 1.00 0.00 N ATOM 58 CZ ARG A 47 -13.728 7.286 -4.856 1.00 0.00 C ATOM 59 NH1 ARG A 47 -13.635 7.687 -3.603 1.00 0.00 N ATOM 60 NH2 ARG A 47 -14.911 7.054 -5.384 1.00 0.00 N ATOM 0 H ARG A 47 -7.061 10.376 -5.918 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.870 10.725 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.319 8.948 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.066 8.268 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.455 9.063 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.745 9.393 -5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.580 6.731 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.177 6.929 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.766 6.807 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.719 7.863 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.479 7.821 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.985 6.740 -6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.754 7.189 -4.826 1.00 0.00 H new ATOM 74 N THR A 48 -11.336 11.501 -6.141 1.00 0.00 N ATOM 75 CA THR A 48 -12.356 12.471 -5.729 1.00 0.00 C ATOM 76 C THR A 48 -13.678 12.215 -6.463 1.00 0.00 C ATOM 77 O THR A 48 -14.585 11.593 -5.913 1.00 0.00 O ATOM 78 CB THR A 48 -11.872 13.914 -5.957 1.00 0.00 C ATOM 79 OG1 THR A 48 -12.967 14.793 -6.142 1.00 0.00 O ATOM 80 CG2 THR A 48 -10.957 14.082 -7.153 1.00 0.00 C ATOM 0 H THR A 48 -11.653 10.840 -6.850 1.00 0.00 H new ATOM 0 HA THR A 48 -12.530 12.342 -4.661 1.00 0.00 H new ATOM 0 HB THR A 48 -11.307 14.155 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.635 15.704 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.662 15.128 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.068 13.465 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.481 13.775 -8.058 1.00 0.00 H new ATOM 88 N THR A 49 -13.775 12.684 -7.707 1.00 0.00 N ATOM 89 CA THR A 49 -14.982 12.498 -8.515 1.00 0.00 C ATOM 90 C THR A 49 -14.659 11.760 -9.822 1.00 0.00 C ATOM 91 O THR A 49 -15.161 12.114 -10.891 1.00 0.00 O ATOM 92 CB THR A 49 -15.638 13.855 -8.810 1.00 0.00 C ATOM 93 OG1 THR A 49 -16.756 13.703 -9.665 1.00 0.00 O ATOM 94 CG2 THR A 49 -14.705 14.851 -9.463 1.00 0.00 C ATOM 0 H THR A 49 -13.030 13.197 -8.179 1.00 0.00 H new ATOM 0 HA THR A 49 -15.683 11.886 -7.948 1.00 0.00 H new ATOM 0 HB THR A 49 -15.932 14.240 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.475 13.265 -10.496 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.237 15.785 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.855 15.037 -8.807 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.350 14.449 -10.412 1.00 0.00 H new ATOM 102 N ILE A 50 -13.816 10.730 -9.723 1.00 0.00 N ATOM 103 CA ILE A 50 -13.420 9.937 -10.890 1.00 0.00 C ATOM 104 C ILE A 50 -14.513 8.944 -11.301 1.00 0.00 C ATOM 105 O ILE A 50 -14.684 8.656 -12.485 1.00 0.00 O ATOM 106 CB ILE A 50 -12.100 9.174 -10.629 1.00 0.00 C ATOM 107 CG1 ILE A 50 -11.471 8.718 -11.946 1.00 0.00 C ATOM 108 CG2 ILE A 50 -12.328 7.982 -9.711 1.00 0.00 C ATOM 109 CD1 ILE A 50 -9.998 8.392 -11.829 1.00 0.00 C ATOM 0 H ILE A 50 -13.394 10.425 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.268 10.641 -11.708 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.412 9.858 -10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.002 7.838 -12.308 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.604 9.500 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.383 7.465 -9.545 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.724 8.328 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.040 7.298 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.617 8.076 -12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.455 9.277 -11.497 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.860 7.588 -11.106 1.00 0.00 H new ATOM 121 N GLY A 51 -15.250 8.426 -10.316 1.00 0.00 N ATOM 122 CA GLY A 51 -16.317 7.480 -10.605 1.00 0.00 C ATOM 123 C GLY A 51 -16.117 6.131 -9.939 1.00 0.00 C ATOM 124 O GLY A 51 -16.774 5.828 -8.942 1.00 0.00 O ATOM 0 H GLY A 51 -15.127 8.644 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.267 7.902 -10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.386 7.339 -11.684 1.00 0.00 H new ATOM 128 N ASN A 52 -15.214 5.319 -10.496 1.00 0.00 N ATOM 129 CA ASN A 52 -14.925 3.988 -9.967 1.00 0.00 C ATOM 130 C ASN A 52 -16.109 3.033 -10.184 1.00 0.00 C ATOM 131 O ASN A 52 -17.208 3.460 -10.539 1.00 0.00 O ATOM 132 CB ASN A 52 -14.556 4.077 -8.488 1.00 0.00 C ATOM 133 CG ASN A 52 -13.497 5.130 -8.214 1.00 0.00 C ATOM 134 OD1 ASN A 52 -13.788 6.212 -7.702 1.00 0.00 O ATOM 135 ND2 ASN A 52 -12.254 4.818 -8.548 1.00 0.00 N ATOM 0 H ASN A 52 -14.667 5.566 -11.321 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.074 3.581 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.450 4.306 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.195 3.106 -8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.499 5.484 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.052 3.912 -8.970 1.00 0.00 H new ATOM 142 N PHE A 53 -15.873 1.736 -9.993 1.00 0.00 N ATOM 143 CA PHE A 53 -16.915 0.729 -10.194 1.00 0.00 C ATOM 144 C PHE A 53 -17.214 -0.049 -8.911 1.00 0.00 C ATOM 145 O PHE A 53 -16.499 0.070 -7.918 1.00 0.00 O ATOM 146 CB PHE A 53 -16.486 -0.240 -11.300 1.00 0.00 C ATOM 147 CG PHE A 53 -16.165 0.434 -12.606 1.00 0.00 C ATOM 148 CD1 PHE A 53 -17.178 0.868 -13.445 1.00 0.00 C ATOM 149 CD2 PHE A 53 -14.849 0.633 -12.992 1.00 0.00 C ATOM 150 CE1 PHE A 53 -16.886 1.488 -14.645 1.00 0.00 C ATOM 151 CE2 PHE A 53 -14.550 1.253 -14.191 1.00 0.00 C ATOM 152 CZ PHE A 53 -15.570 1.681 -15.018 1.00 0.00 C ATOM 0 H PHE A 53 -14.972 1.358 -9.700 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.828 1.248 -10.485 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.611 -0.796 -10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.282 -0.967 -11.463 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.209 0.720 -13.158 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.048 0.300 -12.349 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.685 1.821 -15.290 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -13.520 1.402 -14.481 1.00 0.00 H new ATOM 0 HZ PHE A 53 -15.339 2.166 -15.955 1.00 0.00 H new ATOM 162 N SER A 54 -18.274 -0.861 -8.946 1.00 0.00 N ATOM 163 CA SER A 54 -18.662 -1.674 -7.795 1.00 0.00 C ATOM 164 C SER A 54 -19.706 -2.734 -8.168 1.00 0.00 C ATOM 165 O SER A 54 -20.679 -2.941 -7.439 1.00 0.00 O ATOM 166 CB SER A 54 -19.196 -0.793 -6.659 1.00 0.00 C ATOM 167 OG SER A 54 -19.561 -1.583 -5.534 1.00 0.00 O ATOM 0 H SER A 54 -18.878 -0.971 -9.761 1.00 0.00 H new ATOM 0 HA SER A 54 -17.765 -2.191 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.436 -0.067 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.060 -0.227 -7.007 1.00 0.00 H new ATOM 0 HG SER A 54 -20.134 -2.323 -5.826 1.00 0.00 H new ATOM 173 N GLY A 55 -19.491 -3.419 -9.295 1.00 0.00 N ATOM 174 CA GLY A 55 -20.418 -4.462 -9.719 1.00 0.00 C ATOM 175 C GLY A 55 -20.349 -5.667 -8.803 1.00 0.00 C ATOM 176 O GLY A 55 -21.191 -5.826 -7.922 1.00 0.00 O ATOM 0 H GLY A 55 -18.697 -3.271 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.434 -4.067 -9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.185 -4.765 -10.740 1.00 0.00 H new ATOM 180 N PRO A 56 -19.327 -6.527 -8.968 1.00 0.00 N ATOM 181 CA PRO A 56 -19.142 -7.704 -8.124 1.00 0.00 C ATOM 182 C PRO A 56 -18.319 -7.380 -6.868 1.00 0.00 C ATOM 183 O PRO A 56 -17.478 -8.172 -6.436 1.00 0.00 O ATOM 184 CB PRO A 56 -18.386 -8.648 -9.056 1.00 0.00 C ATOM 185 CG PRO A 56 -17.556 -7.752 -9.921 1.00 0.00 C ATOM 186 CD PRO A 56 -18.256 -6.412 -9.975 1.00 0.00 C ATOM 0 HA PRO A 56 -20.076 -8.116 -7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.762 -9.343 -8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -19.073 -9.248 -9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.551 -7.645 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.451 -8.172 -10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.573 -5.595 -9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.661 -6.213 -10.967 1.00 0.00 H new ATOM 194 N TYR A 57 -18.567 -6.199 -6.294 1.00 0.00 N ATOM 195 CA TYR A 57 -17.858 -5.748 -5.102 1.00 0.00 C ATOM 196 C TYR A 57 -18.837 -5.368 -3.984 1.00 0.00 C ATOM 197 O TYR A 57 -20.050 -5.538 -4.119 1.00 0.00 O ATOM 198 CB TYR A 57 -16.971 -4.550 -5.458 1.00 0.00 C ATOM 199 CG TYR A 57 -15.889 -4.868 -6.468 1.00 0.00 C ATOM 200 CD1 TYR A 57 -14.674 -5.400 -6.064 1.00 0.00 C ATOM 201 CD2 TYR A 57 -16.086 -4.638 -7.823 1.00 0.00 C ATOM 202 CE1 TYR A 57 -13.683 -5.693 -6.981 1.00 0.00 C ATOM 203 CE2 TYR A 57 -15.100 -4.930 -8.746 1.00 0.00 C ATOM 204 CZ TYR A 57 -13.900 -5.456 -8.318 1.00 0.00 C ATOM 205 OH TYR A 57 -12.914 -5.749 -9.231 1.00 0.00 O ATOM 0 H TYR A 57 -19.260 -5.536 -6.642 1.00 0.00 H new ATOM 0 HA TYR A 57 -17.238 -6.567 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -17.598 -3.750 -5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -16.505 -4.172 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.499 -5.588 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.025 -4.224 -8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.742 -6.106 -6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.269 -4.747 -9.797 1.00 0.00 H new ATOM 0 HH TYR A 57 -13.226 -5.524 -10.133 1.00 0.00 H new ATOM 215 N THR A 58 -18.299 -4.847 -2.884 1.00 0.00 N ATOM 216 CA THR A 58 -19.118 -4.435 -1.738 1.00 0.00 C ATOM 217 C THR A 58 -18.319 -3.554 -0.777 1.00 0.00 C ATOM 218 O THR A 58 -18.797 -2.506 -0.343 1.00 0.00 O ATOM 219 CB THR A 58 -19.676 -5.660 -0.998 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.304 -5.275 0.212 1.00 0.00 O ATOM 221 CG2 THR A 58 -18.629 -6.691 -0.647 1.00 0.00 C ATOM 0 H THR A 58 -17.298 -4.698 -2.758 1.00 0.00 H new ATOM 0 HA THR A 58 -19.954 -3.850 -2.122 1.00 0.00 H new ATOM 0 HB THR A 58 -20.384 -6.107 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.653 -6.070 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.100 -7.525 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.155 -7.053 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.876 -6.239 -0.001 1.00 0.00 H new ATOM 229 N TYR A 59 -17.097 -3.980 -0.453 1.00 0.00 N ATOM 230 CA TYR A 59 -16.236 -3.223 0.453 1.00 0.00 C ATOM 231 C TYR A 59 -14.783 -3.212 -0.027 1.00 0.00 C ATOM 232 O TYR A 59 -14.472 -3.737 -1.091 1.00 0.00 O ATOM 233 CB TYR A 59 -16.326 -3.815 1.857 1.00 0.00 C ATOM 234 CG TYR A 59 -17.519 -3.318 2.632 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.768 -1.960 2.756 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.396 -4.207 3.233 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.861 -1.498 3.460 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.493 -3.754 3.940 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.720 -2.399 4.050 1.00 0.00 C ATOM 240 OH TYR A 59 -20.810 -1.944 4.751 1.00 0.00 O ATOM 0 H TYR A 59 -16.683 -4.844 -0.804 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.582 -2.190 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.374 -4.902 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.416 -3.572 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.096 -1.252 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -18.219 -5.269 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -19.042 -0.437 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.169 -4.457 4.404 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.314 -2.707 5.103 1.00 0.00 H new ATOM 250 N CYS A 60 -13.904 -2.606 0.775 1.00 0.00 N ATOM 251 CA CYS A 60 -12.472 -2.511 0.458 1.00 0.00 C ATOM 252 C CYS A 60 -12.204 -1.487 -0.643 1.00 0.00 C ATOM 253 O CYS A 60 -12.200 -1.821 -1.826 1.00 0.00 O ATOM 254 CB CYS A 60 -11.891 -3.867 0.048 1.00 0.00 C ATOM 255 SG CYS A 60 -11.767 -5.072 1.408 1.00 0.00 S ATOM 0 H CYS A 60 -14.161 -2.168 1.660 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.977 -2.181 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.511 -4.291 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.899 -3.711 -0.375 1.00 0.00 H new ATOM 260 N ASN A 61 -11.969 -0.243 -0.245 1.00 0.00 N ATOM 261 CA ASN A 61 -11.683 0.835 -1.193 1.00 0.00 C ATOM 262 C ASN A 61 -10.239 1.333 -1.030 1.00 0.00 C ATOM 263 O ASN A 61 -9.479 0.788 -0.221 1.00 0.00 O ATOM 264 CB ASN A 61 -12.675 1.988 -0.986 1.00 0.00 C ATOM 265 CG ASN A 61 -12.700 2.490 0.447 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.812 1.709 1.390 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.594 3.800 0.620 1.00 0.00 N ATOM 0 H ASN A 61 -11.970 0.049 0.732 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.795 0.449 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.413 2.811 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.674 1.657 -1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.604 4.193 1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.503 4.415 -0.188 1.00 0.00 H new ATOM 274 N THR A 62 -9.873 2.371 -1.799 1.00 0.00 N ATOM 275 CA THR A 62 -8.523 2.964 -1.746 1.00 0.00 C ATOM 276 C THR A 62 -7.943 2.876 -0.338 1.00 0.00 C ATOM 277 O THR A 62 -8.386 3.580 0.572 1.00 0.00 O ATOM 278 CB THR A 62 -8.563 4.430 -2.193 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.801 5.027 -1.847 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.368 4.613 -3.683 1.00 0.00 C ATOM 0 H THR A 62 -10.496 2.821 -2.470 1.00 0.00 H new ATOM 0 HA THR A 62 -7.884 2.398 -2.424 1.00 0.00 H new ATOM 0 HB THR A 62 -7.732 4.909 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.806 5.962 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.408 5.674 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.399 4.210 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.157 4.087 -4.221 1.00 0.00 H new ATOM 288 N THR A 63 -6.976 1.987 -0.163 1.00 0.00 N ATOM 289 CA THR A 63 -6.357 1.770 1.139 1.00 0.00 C ATOM 290 C THR A 63 -4.870 2.131 1.117 1.00 0.00 C ATOM 291 O THR A 63 -4.227 2.075 0.074 1.00 0.00 O ATOM 292 CB THR A 63 -6.572 0.305 1.532 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.928 0.083 1.869 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.737 -0.158 2.699 1.00 0.00 C ATOM 0 H THR A 63 -6.601 1.401 -0.909 1.00 0.00 H new ATOM 0 HA THR A 63 -6.820 2.421 1.880 1.00 0.00 H new ATOM 0 HB THR A 63 -6.265 -0.266 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.035 -0.829 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.953 -1.206 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.680 -0.047 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.973 0.443 3.577 1.00 0.00 H new ATOM 302 N LEU A 64 -4.332 2.512 2.275 1.00 0.00 N ATOM 303 CA LEU A 64 -2.918 2.891 2.380 1.00 0.00 C ATOM 304 C LEU A 64 -2.127 1.907 3.250 1.00 0.00 C ATOM 305 O LEU A 64 -2.649 0.872 3.673 1.00 0.00 O ATOM 306 CB LEU A 64 -2.796 4.310 2.945 1.00 0.00 C ATOM 307 CG LEU A 64 -1.864 5.239 2.165 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.612 6.477 1.704 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.662 5.630 3.012 1.00 0.00 C ATOM 0 H LEU A 64 -4.849 2.567 3.152 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.491 2.861 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.789 4.759 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.442 4.246 3.974 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.505 4.703 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.934 7.127 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.440 6.183 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.000 7.012 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.012 6.291 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.002 6.146 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.110 4.734 3.295 1.00 0.00 H new ATOM 321 N ASP A 65 -0.858 2.236 3.501 1.00 0.00 N ATOM 322 CA ASP A 65 0.016 1.387 4.307 1.00 0.00 C ATOM 323 C ASP A 65 1.180 2.183 4.910 1.00 0.00 C ATOM 324 O ASP A 65 1.606 3.195 4.350 1.00 0.00 O ATOM 325 CB ASP A 65 0.560 0.249 3.438 1.00 0.00 C ATOM 326 CG ASP A 65 0.113 -1.123 3.896 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.382 -1.242 5.034 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.257 -2.082 3.107 1.00 0.00 O ATOM 0 H ASP A 65 -0.414 3.087 3.156 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.570 0.981 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.239 0.403 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.649 0.288 3.441 1.00 0.00 H new ATOM 333 N GLN A 66 1.703 1.702 6.042 1.00 0.00 N ATOM 334 CA GLN A 66 2.834 2.352 6.723 1.00 0.00 C ATOM 335 C GLN A 66 4.001 2.599 5.766 1.00 0.00 C ATOM 336 O GLN A 66 4.648 3.645 5.812 1.00 0.00 O ATOM 337 CB GLN A 66 3.314 1.487 7.890 1.00 0.00 C ATOM 338 CG GLN A 66 4.223 2.227 8.862 1.00 0.00 C ATOM 339 CD GLN A 66 3.496 2.712 10.102 1.00 0.00 C ATOM 340 OE1 GLN A 66 2.310 3.030 10.058 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.206 2.775 11.218 1.00 0.00 N ATOM 0 H GLN A 66 1.362 0.862 6.510 1.00 0.00 H new ATOM 0 HA GLN A 66 2.483 3.315 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.447 1.109 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.846 0.621 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.039 1.569 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.671 3.080 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.189 2.502 11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.770 3.097 12.082 1.00 0.00 H new ATOM 350 N ILE A 67 4.264 1.619 4.908 1.00 0.00 N ATOM 351 CA ILE A 67 5.351 1.700 3.935 1.00 0.00 C ATOM 352 C ILE A 67 4.975 2.570 2.720 1.00 0.00 C ATOM 353 O ILE A 67 5.829 2.886 1.890 1.00 0.00 O ATOM 354 CB ILE A 67 5.746 0.280 3.465 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.437 -0.478 4.597 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.656 0.335 2.251 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.412 -1.979 4.417 1.00 0.00 C ATOM 0 H ILE A 67 3.733 0.749 4.866 1.00 0.00 H new ATOM 0 HA ILE A 67 6.200 2.173 4.429 1.00 0.00 H new ATOM 0 HB ILE A 67 4.833 -0.245 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.473 -0.145 4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.955 -0.225 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.916 -0.678 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.142 0.840 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.565 0.883 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.920 -2.455 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.379 -2.323 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.920 -2.243 3.489 1.00 0.00 H new ATOM 369 N GLY A 68 3.699 2.953 2.623 1.00 0.00 N ATOM 370 CA GLY A 68 3.241 3.771 1.506 1.00 0.00 C ATOM 371 C GLY A 68 2.597 2.940 0.408 1.00 0.00 C ATOM 372 O GLY A 68 2.684 3.284 -0.771 1.00 0.00 O ATOM 0 H GLY A 68 2.974 2.711 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.524 4.508 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.085 4.323 1.093 1.00 0.00 H new ATOM 376 N THR A 69 1.957 1.837 0.796 1.00 0.00 N ATOM 377 CA THR A 69 1.303 0.945 -0.162 1.00 0.00 C ATOM 378 C THR A 69 -0.169 1.306 -0.343 1.00 0.00 C ATOM 379 O THR A 69 -1.008 0.985 0.499 1.00 0.00 O ATOM 380 CB THR A 69 1.427 -0.514 0.294 1.00 0.00 C ATOM 381 OG1 THR A 69 2.785 -0.875 0.460 1.00 0.00 O ATOM 382 CG2 THR A 69 0.813 -1.503 -0.673 1.00 0.00 C ATOM 0 H THR A 69 1.877 1.539 1.768 1.00 0.00 H new ATOM 0 HA THR A 69 1.806 1.066 -1.122 1.00 0.00 H new ATOM 0 HB THR A 69 0.882 -0.563 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.842 -1.809 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.937 -2.515 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.249 -1.287 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.308 -1.421 -1.641 1.00 0.00 H new ATOM 390 N CYS A 70 -0.478 1.967 -1.454 1.00 0.00 N ATOM 391 CA CYS A 70 -1.854 2.357 -1.750 1.00 0.00 C ATOM 392 C CYS A 70 -2.622 1.198 -2.379 1.00 0.00 C ATOM 393 O CYS A 70 -2.659 1.054 -3.603 1.00 0.00 O ATOM 394 CB CYS A 70 -1.881 3.570 -2.682 1.00 0.00 C ATOM 395 SG CYS A 70 -3.507 4.380 -2.804 1.00 0.00 S ATOM 0 H CYS A 70 0.202 2.243 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.337 2.625 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.150 4.299 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.568 3.256 -3.678 1.00 0.00 H new ATOM 400 N TRP A 71 -3.243 0.381 -1.533 1.00 0.00 N ATOM 401 CA TRP A 71 -4.027 -0.758 -1.998 1.00 0.00 C ATOM 402 C TRP A 71 -5.317 -0.271 -2.657 1.00 0.00 C ATOM 403 O TRP A 71 -6.181 0.311 -1.993 1.00 0.00 O ATOM 404 CB TRP A 71 -4.357 -1.700 -0.833 1.00 0.00 C ATOM 405 CG TRP A 71 -3.146 -2.250 -0.146 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.515 -1.725 0.944 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.417 -3.432 -0.501 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.441 -2.507 1.288 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.359 -3.560 0.415 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.559 -4.394 -1.506 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.447 -4.611 0.359 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.652 -5.438 -1.562 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.608 -5.539 -0.634 1.00 0.00 C ATOM 0 H TRP A 71 -3.218 0.487 -0.519 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.436 -1.308 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.966 -1.164 -0.105 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.960 -2.528 -1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.817 -0.826 1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.806 -2.333 2.067 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.362 -4.324 -2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.359 -4.691 1.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.751 -6.187 -2.334 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.084 -6.366 -0.703 1.00 0.00 H new ATOM 424 N PRO A 72 -5.461 -0.488 -3.978 1.00 0.00 N ATOM 425 CA PRO A 72 -6.652 -0.055 -4.722 1.00 0.00 C ATOM 426 C PRO A 72 -7.934 -0.723 -4.226 1.00 0.00 C ATOM 427 O PRO A 72 -7.893 -1.703 -3.475 1.00 0.00 O ATOM 428 CB PRO A 72 -6.351 -0.472 -6.169 1.00 0.00 C ATOM 429 CG PRO A 72 -5.295 -1.517 -6.062 1.00 0.00 C ATOM 430 CD PRO A 72 -4.481 -1.161 -4.851 1.00 0.00 C ATOM 0 HA PRO A 72 -6.831 1.014 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.243 -0.862 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.007 0.377 -6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.736 -2.508 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.674 -1.537 -6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.057 -2.046 -4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.648 -0.505 -5.103 1.00 0.00 H new ATOM 438 N GLN A 73 -9.076 -0.180 -4.657 1.00 0.00 N ATOM 439 CA GLN A 73 -10.379 -0.713 -4.273 1.00 0.00 C ATOM 440 C GLN A 73 -10.460 -2.214 -4.570 1.00 0.00 C ATOM 441 O GLN A 73 -10.030 -2.672 -5.629 1.00 0.00 O ATOM 442 CB GLN A 73 -11.489 0.034 -5.018 1.00 0.00 C ATOM 443 CG GLN A 73 -12.891 -0.437 -4.659 1.00 0.00 C ATOM 444 CD GLN A 73 -13.655 -0.954 -5.861 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.864 -0.232 -6.834 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.069 -2.210 -5.807 1.00 0.00 N ATOM 0 H GLN A 73 -9.121 0.631 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.510 -0.569 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.407 1.099 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.339 -0.086 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.825 -1.224 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.444 0.388 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.875 -2.776 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.582 -2.612 -6.592 1.00 0.00 H new ATOM 455 N SER A 74 -11.012 -2.967 -3.627 1.00 0.00 N ATOM 456 CA SER A 74 -11.149 -4.414 -3.769 1.00 0.00 C ATOM 457 C SER A 74 -12.504 -4.890 -3.222 1.00 0.00 C ATOM 458 O SER A 74 -13.538 -4.287 -3.524 1.00 0.00 O ATOM 459 CB SER A 74 -9.979 -5.106 -3.058 1.00 0.00 C ATOM 460 OG SER A 74 -9.923 -6.485 -3.389 1.00 0.00 O ATOM 0 H SER A 74 -11.375 -2.597 -2.748 1.00 0.00 H new ATOM 0 HA SER A 74 -11.120 -4.679 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.043 -4.623 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.086 -4.992 -1.979 1.00 0.00 H new ATOM 0 HG SER A 74 -9.542 -6.986 -2.638 1.00 0.00 H new ATOM 466 N ALA A 75 -12.490 -5.970 -2.429 1.00 0.00 N ATOM 467 CA ALA A 75 -13.705 -6.538 -1.834 1.00 0.00 C ATOM 468 C ALA A 75 -13.412 -7.886 -1.155 1.00 0.00 C ATOM 469 O ALA A 75 -12.323 -8.440 -1.314 1.00 0.00 O ATOM 470 CB ALA A 75 -14.783 -6.693 -2.896 1.00 0.00 C ATOM 0 H ALA A 75 -11.637 -6.473 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.064 -5.852 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.681 -7.115 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.016 -5.718 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.426 -7.357 -3.683 1.00 0.00 H new ATOM 476 N PRO A 76 -14.377 -8.432 -0.377 1.00 0.00 N ATOM 477 CA PRO A 76 -14.204 -9.718 0.323 1.00 0.00 C ATOM 478 C PRO A 76 -13.807 -10.859 -0.617 1.00 0.00 C ATOM 479 O PRO A 76 -14.102 -10.824 -1.813 1.00 0.00 O ATOM 480 CB PRO A 76 -15.585 -9.993 0.940 1.00 0.00 C ATOM 481 CG PRO A 76 -16.521 -9.045 0.265 1.00 0.00 C ATOM 482 CD PRO A 76 -15.699 -7.845 -0.108 1.00 0.00 C ATOM 0 HA PRO A 76 -13.399 -9.663 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.889 -11.027 0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.572 -9.831 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.968 -9.501 -0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.339 -8.766 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.101 -7.334 -0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.661 -7.113 0.699 1.00 0.00 H new ATOM 490 N GLY A 77 -13.140 -11.874 -0.062 1.00 0.00 N ATOM 491 CA GLY A 77 -12.709 -13.024 -0.853 1.00 0.00 C ATOM 492 C GLY A 77 -11.812 -12.642 -2.020 1.00 0.00 C ATOM 493 O GLY A 77 -11.857 -13.276 -3.075 1.00 0.00 O ATOM 0 H GLY A 77 -12.889 -11.921 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.177 -13.723 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.587 -13.546 -1.233 1.00 0.00 H new ATOM 497 N ALA A 78 -11.002 -11.601 -1.834 1.00 0.00 N ATOM 498 CA ALA A 78 -10.099 -11.130 -2.879 1.00 0.00 C ATOM 499 C ALA A 78 -8.646 -11.115 -2.407 1.00 0.00 C ATOM 500 O ALA A 78 -8.225 -10.203 -1.688 1.00 0.00 O ATOM 501 CB ALA A 78 -10.518 -9.741 -3.344 1.00 0.00 C ATOM 0 H ALA A 78 -10.954 -11.067 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.165 -11.826 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.838 -9.398 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.533 -9.780 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.483 -9.050 -2.502 1.00 0.00 H new ATOM 507 N LEU A 79 -7.880 -12.118 -2.830 1.00 0.00 N ATOM 508 CA LEU A 79 -6.468 -12.213 -2.469 1.00 0.00 C ATOM 509 C LEU A 79 -5.656 -11.194 -3.265 1.00 0.00 C ATOM 510 O LEU A 79 -5.090 -11.504 -4.316 1.00 0.00 O ATOM 511 CB LEU A 79 -5.949 -13.634 -2.718 1.00 0.00 C ATOM 512 CG LEU A 79 -4.684 -14.010 -1.943 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.846 -15.373 -1.292 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.474 -14.002 -2.863 1.00 0.00 C ATOM 0 H LEU A 79 -8.214 -12.877 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.358 -11.991 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.737 -14.342 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.751 -13.750 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.527 -13.269 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.938 -15.625 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.690 -15.349 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.027 -16.124 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.583 -14.272 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.624 -14.722 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.346 -13.006 -3.287 1.00 0.00 H new ATOM 526 N VAL A 80 -5.626 -9.966 -2.760 1.00 0.00 N ATOM 527 CA VAL A 80 -4.909 -8.883 -3.416 1.00 0.00 C ATOM 528 C VAL A 80 -3.394 -9.036 -3.251 1.00 0.00 C ATOM 529 O VAL A 80 -2.833 -8.758 -2.187 1.00 0.00 O ATOM 530 CB VAL A 80 -5.371 -7.511 -2.881 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.533 -6.390 -3.466 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.846 -7.292 -3.186 1.00 0.00 C ATOM 0 H VAL A 80 -6.093 -9.696 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.141 -8.936 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.235 -7.504 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.879 -5.434 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.488 -6.537 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.629 -6.392 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.156 -6.320 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.003 -7.324 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.436 -8.075 -2.710 1.00 0.00 H new ATOM 542 N GLU A 81 -2.746 -9.491 -4.319 1.00 0.00 N ATOM 543 CA GLU A 81 -1.300 -9.698 -4.324 1.00 0.00 C ATOM 544 C GLU A 81 -0.562 -8.445 -4.798 1.00 0.00 C ATOM 545 O GLU A 81 -1.122 -7.625 -5.530 1.00 0.00 O ATOM 546 CB GLU A 81 -0.952 -10.883 -5.221 1.00 0.00 C ATOM 547 CG GLU A 81 -0.924 -12.213 -4.484 1.00 0.00 C ATOM 548 CD GLU A 81 -0.756 -13.400 -5.411 1.00 0.00 C ATOM 549 OE1 GLU A 81 0.359 -13.586 -5.943 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.738 -14.145 -5.602 1.00 0.00 O ATOM 0 H GLU A 81 -3.204 -9.725 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.981 -9.909 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.679 -10.941 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.022 -10.709 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.108 -12.205 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.849 -12.328 -3.919 1.00 0.00 H new ATOM 557 N ARG A 82 0.696 -8.293 -4.379 1.00 0.00 N ATOM 558 CA ARG A 82 1.489 -7.128 -4.775 1.00 0.00 C ATOM 559 C ARG A 82 2.973 -7.301 -4.441 1.00 0.00 C ATOM 560 O ARG A 82 3.325 -7.713 -3.336 1.00 0.00 O ATOM 561 CB ARG A 82 0.951 -5.868 -4.090 1.00 0.00 C ATOM 562 CG ARG A 82 1.194 -4.595 -4.883 1.00 0.00 C ATOM 563 CD ARG A 82 2.569 -4.009 -4.596 1.00 0.00 C ATOM 564 NE ARG A 82 2.533 -2.546 -4.547 1.00 0.00 N ATOM 565 CZ ARG A 82 2.342 -1.764 -5.606 1.00 0.00 C ATOM 566 NH1 ARG A 82 2.222 -2.291 -6.813 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.283 -0.455 -5.455 1.00 0.00 N ATOM 0 H ARG A 82 1.183 -8.953 -3.773 1.00 0.00 H new ATOM 0 HA ARG A 82 1.401 -7.028 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.120 -5.984 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.417 -5.770 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.103 -4.807 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.427 -3.861 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.939 -4.396 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.270 -4.330 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 82 2.663 -2.097 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.276 -3.302 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.076 -1.686 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.384 -0.044 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.137 0.146 -6.266 1.00 0.00 H new ATOM 581 N PRO A 83 3.869 -6.972 -5.391 1.00 0.00 N ATOM 582 CA PRO A 83 5.322 -7.076 -5.178 1.00 0.00 C ATOM 583 C PRO A 83 5.790 -6.186 -4.024 1.00 0.00 C ATOM 584 O PRO A 83 5.418 -5.015 -3.939 1.00 0.00 O ATOM 585 CB PRO A 83 5.919 -6.596 -6.510 1.00 0.00 C ATOM 586 CG PRO A 83 4.833 -5.804 -7.154 1.00 0.00 C ATOM 587 CD PRO A 83 3.551 -6.461 -6.736 1.00 0.00 C ATOM 0 HA PRO A 83 5.629 -8.087 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.809 -5.987 -6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.218 -7.438 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.863 -4.763 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.938 -5.805 -8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.722 -5.753 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.267 -7.263 -7.417 1.00 0.00 H new ATOM 595 N CYS A 84 6.599 -6.744 -3.131 1.00 0.00 N ATOM 596 CA CYS A 84 7.097 -5.985 -1.981 1.00 0.00 C ATOM 597 C CYS A 84 8.084 -4.893 -2.412 1.00 0.00 C ATOM 598 O CYS A 84 8.997 -5.147 -3.200 1.00 0.00 O ATOM 599 CB CYS A 84 7.769 -6.922 -0.975 1.00 0.00 C ATOM 600 SG CYS A 84 9.098 -7.947 -1.682 1.00 0.00 S ATOM 0 H CYS A 84 6.924 -7.710 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 84 6.241 -5.503 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.179 -6.327 -0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.012 -7.576 -0.543 1.00 0.00 H new ATOM 605 N PRO A 85 7.923 -3.656 -1.894 1.00 0.00 N ATOM 606 CA PRO A 85 8.818 -2.533 -2.232 1.00 0.00 C ATOM 607 C PRO A 85 10.215 -2.689 -1.612 1.00 0.00 C ATOM 608 O PRO A 85 10.669 -1.851 -0.830 1.00 0.00 O ATOM 609 CB PRO A 85 8.088 -1.320 -1.652 1.00 0.00 C ATOM 610 CG PRO A 85 7.280 -1.867 -0.526 1.00 0.00 C ATOM 611 CD PRO A 85 6.869 -3.253 -0.941 1.00 0.00 C ATOM 0 HA PRO A 85 9.003 -2.459 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.792 -0.564 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.454 -0.845 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.863 -1.893 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.407 -1.243 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.820 -3.929 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.884 -3.256 -1.407 1.00 0.00 H new ATOM 619 N GLU A 86 10.891 -3.779 -1.975 1.00 0.00 N ATOM 620 CA GLU A 86 12.234 -4.080 -1.470 1.00 0.00 C ATOM 621 C GLU A 86 13.307 -3.152 -2.050 1.00 0.00 C ATOM 622 O GLU A 86 14.426 -3.085 -1.537 1.00 0.00 O ATOM 623 CB GLU A 86 12.592 -5.527 -1.800 1.00 0.00 C ATOM 624 CG GLU A 86 12.979 -6.340 -0.594 1.00 0.00 C ATOM 625 CD GLU A 86 14.473 -6.372 -0.359 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.983 -5.483 0.353 1.00 0.00 O ATOM 627 OE2 GLU A 86 15.127 -7.313 -0.862 1.00 0.00 O ATOM 0 H GLU A 86 10.527 -4.476 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 86 12.213 -3.923 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.741 -6.001 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.416 -5.535 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.487 -5.930 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.614 -7.360 -0.717 1.00 0.00 H new ATOM 634 N TYR A 87 12.978 -2.454 -3.128 1.00 0.00 N ATOM 635 CA TYR A 87 13.937 -1.561 -3.774 1.00 0.00 C ATOM 636 C TYR A 87 13.947 -0.160 -3.143 1.00 0.00 C ATOM 637 O TYR A 87 13.687 0.844 -3.810 1.00 0.00 O ATOM 638 CB TYR A 87 13.655 -1.501 -5.280 1.00 0.00 C ATOM 639 CG TYR A 87 13.681 -2.862 -5.957 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.099 -4.004 -5.271 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.285 -3.009 -7.280 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.119 -5.240 -5.886 1.00 0.00 C ATOM 643 CE2 TYR A 87 13.304 -4.247 -7.899 1.00 0.00 C ATOM 644 CZ TYR A 87 13.721 -5.357 -7.197 1.00 0.00 C ATOM 645 OH TYR A 87 13.740 -6.591 -7.806 1.00 0.00 O ATOM 0 H TYR A 87 12.061 -2.486 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 87 14.936 -1.968 -3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.679 -1.043 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.393 -0.854 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.412 -3.919 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.957 -2.143 -7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.446 -6.112 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.993 -4.343 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 87 13.037 -6.630 -8.488 1.00 0.00 H new ATOM 655 N PHE A 88 14.280 -0.111 -1.851 1.00 0.00 N ATOM 656 CA PHE A 88 14.364 1.153 -1.107 1.00 0.00 C ATOM 657 C PHE A 88 15.821 1.626 -0.986 1.00 0.00 C ATOM 658 O PHE A 88 16.135 2.491 -0.166 1.00 0.00 O ATOM 659 CB PHE A 88 13.787 0.972 0.302 1.00 0.00 C ATOM 660 CG PHE A 88 12.303 1.187 0.422 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.469 1.129 -0.686 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.743 1.444 1.662 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.106 1.324 -0.553 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.384 1.640 1.800 1.00 0.00 C ATOM 665 CZ PHE A 88 9.565 1.581 0.693 1.00 0.00 C ATOM 0 H PHE A 88 14.498 -0.937 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 88 13.790 1.901 -1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.020 -0.036 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.293 1.663 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.888 0.930 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.379 1.492 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.465 1.276 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.963 1.839 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.501 1.735 0.799 1.00 0.00 H new ATOM 675 N ASN A 89 16.712 1.034 -1.784 1.00 0.00 N ATOM 676 CA ASN A 89 18.138 1.376 -1.739 1.00 0.00 C ATOM 677 C ASN A 89 18.914 0.848 -2.956 1.00 0.00 C ATOM 678 O ASN A 89 19.911 1.442 -3.362 1.00 0.00 O ATOM 679 CB ASN A 89 18.761 0.812 -0.454 1.00 0.00 C ATOM 680 CG ASN A 89 18.602 -0.692 -0.332 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.495 -1.207 -0.202 1.00 0.00 O ATOM 682 ND2 ASN A 89 19.713 -1.409 -0.372 1.00 0.00 N ATOM 0 H ASN A 89 16.473 0.316 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 89 18.209 2.464 -1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.821 1.063 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.300 1.292 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.667 -2.425 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.615 -0.946 -0.481 1.00 0.00 H new ATOM 689 N GLY A 90 18.467 -0.278 -3.515 1.00 0.00 N ATOM 690 CA GLY A 90 19.143 -0.871 -4.660 1.00 0.00 C ATOM 691 C GLY A 90 19.565 -2.306 -4.402 1.00 0.00 C ATOM 692 O GLY A 90 20.608 -2.744 -4.884 1.00 0.00 O ATOM 0 H GLY A 90 17.646 -0.791 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.481 -0.840 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.022 -0.276 -4.908 1.00 0.00 H new ATOM 696 N ILE A 91 18.755 -3.040 -3.639 1.00 0.00 N ATOM 697 CA ILE A 91 19.049 -4.429 -3.319 1.00 0.00 C ATOM 698 C ILE A 91 18.118 -5.366 -4.077 1.00 0.00 C ATOM 699 O ILE A 91 16.977 -5.010 -4.379 1.00 0.00 O ATOM 700 CB ILE A 91 18.977 -4.664 -1.790 1.00 0.00 C ATOM 701 CG1 ILE A 91 20.355 -5.047 -1.267 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.937 -5.707 -1.388 1.00 0.00 C ATOM 703 CD1 ILE A 91 21.336 -3.898 -1.295 1.00 0.00 C ATOM 0 H ILE A 91 17.888 -2.690 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 91 20.067 -4.651 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 91 18.654 -3.728 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.261 -5.413 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.749 -5.869 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.938 -5.823 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.950 -5.382 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.179 -6.661 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.299 -4.233 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.456 -3.547 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.961 -3.084 -0.675 1.00 0.00 H new ATOM 715 N LYS A 92 18.627 -6.552 -4.407 1.00 0.00 N ATOM 716 CA LYS A 92 17.869 -7.542 -5.171 1.00 0.00 C ATOM 717 C LYS A 92 17.702 -7.062 -6.611 1.00 0.00 C ATOM 718 O LYS A 92 17.439 -5.885 -6.860 1.00 0.00 O ATOM 719 CB LYS A 92 16.507 -7.817 -4.544 1.00 0.00 C ATOM 720 CG LYS A 92 15.760 -8.958 -5.219 1.00 0.00 C ATOM 721 CD LYS A 92 14.805 -9.637 -4.259 1.00 0.00 C ATOM 722 CE LYS A 92 13.953 -8.623 -3.519 1.00 0.00 C ATOM 723 NZ LYS A 92 13.756 -9.003 -2.101 1.00 0.00 N ATOM 0 H LYS A 92 19.569 -6.852 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 92 18.428 -8.478 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.640 -8.052 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.901 -6.913 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.206 -8.576 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.474 -9.687 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.161 -10.324 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.369 -10.233 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.427 -7.643 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.984 -8.535 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.746 -8.940 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.087 -9.978 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.297 -8.358 -1.490 1.00 0.00 H new ATOM 737 N TYR A 93 17.905 -7.965 -7.558 1.00 0.00 N ATOM 738 CA TYR A 93 17.829 -7.605 -8.968 1.00 0.00 C ATOM 739 C TYR A 93 17.054 -8.646 -9.779 1.00 0.00 C ATOM 740 O TYR A 93 17.425 -8.979 -10.904 1.00 0.00 O ATOM 741 CB TYR A 93 19.259 -7.409 -9.495 1.00 0.00 C ATOM 742 CG TYR A 93 20.079 -6.491 -8.605 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.428 -6.876 -7.312 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.471 -5.232 -9.038 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.142 -6.038 -6.479 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.186 -4.386 -8.209 1.00 0.00 C ATOM 747 CZ TYR A 93 21.515 -4.794 -6.934 1.00 0.00 C ATOM 748 OH TYR A 93 22.223 -3.955 -6.112 1.00 0.00 O ATOM 0 H TYR A 93 18.122 -8.946 -7.380 1.00 0.00 H new ATOM 0 HA TYR A 93 17.274 -6.673 -9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.753 -8.378 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.219 -6.995 -10.502 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.133 -7.851 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.214 -4.908 -10.036 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.405 -6.355 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.485 -3.409 -8.560 1.00 0.00 H new ATOM 0 HH TYR A 93 21.660 -3.195 -5.857 1.00 0.00 H new ATOM 758 N ASN A 94 15.960 -9.137 -9.187 1.00 0.00 N ATOM 759 CA ASN A 94 15.089 -10.130 -9.821 1.00 0.00 C ATOM 760 C ASN A 94 14.018 -10.620 -8.834 1.00 0.00 C ATOM 761 O ASN A 94 13.990 -11.796 -8.466 1.00 0.00 O ATOM 762 CB ASN A 94 15.904 -11.321 -10.346 1.00 0.00 C ATOM 763 CG ASN A 94 15.213 -12.031 -11.493 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.800 -11.406 -12.465 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.077 -13.345 -11.390 1.00 0.00 N ATOM 0 H ASN A 94 15.654 -8.857 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 94 14.595 -9.650 -10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.883 -10.972 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.074 -12.028 -9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.617 -13.870 -12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.433 -13.832 -10.567 1.00 0.00 H new ATOM 772 N THR A 95 13.139 -9.708 -8.407 1.00 0.00 N ATOM 773 CA THR A 95 12.066 -10.048 -7.463 1.00 0.00 C ATOM 774 C THR A 95 11.116 -11.085 -8.082 1.00 0.00 C ATOM 775 O THR A 95 10.362 -10.783 -9.008 1.00 0.00 O ATOM 776 CB THR A 95 11.293 -8.786 -7.029 1.00 0.00 C ATOM 777 OG1 THR A 95 11.645 -7.668 -7.835 1.00 0.00 O ATOM 778 CG2 THR A 95 11.546 -8.382 -5.587 1.00 0.00 C ATOM 0 H THR A 95 13.148 -8.731 -8.698 1.00 0.00 H new ATOM 0 HA THR A 95 12.519 -10.485 -6.573 1.00 0.00 H new ATOM 0 HB THR A 95 10.243 -9.054 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.229 -7.068 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.969 -7.487 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.243 -9.192 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.607 -8.176 -5.448 1.00 0.00 H new ATOM 786 N THR A 96 11.191 -12.317 -7.573 1.00 0.00 N ATOM 787 CA THR A 96 10.371 -13.429 -8.080 1.00 0.00 C ATOM 788 C THR A 96 9.057 -13.602 -7.310 1.00 0.00 C ATOM 789 O THR A 96 8.038 -13.955 -7.901 1.00 0.00 O ATOM 790 CB THR A 96 11.171 -14.744 -8.040 1.00 0.00 C ATOM 791 OG1 THR A 96 10.313 -15.867 -8.132 1.00 0.00 O ATOM 792 CG2 THR A 96 11.993 -14.921 -6.781 1.00 0.00 C ATOM 0 H THR A 96 11.813 -12.574 -6.807 1.00 0.00 H new ATOM 0 HA THR A 96 10.112 -13.180 -9.109 1.00 0.00 H new ATOM 0 HB THR A 96 11.844 -14.680 -8.895 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.846 -16.689 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.528 -15.870 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.710 -14.104 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.334 -14.917 -5.913 1.00 0.00 H new ATOM 800 N ARG A 97 9.081 -13.370 -5.998 1.00 0.00 N ATOM 801 CA ARG A 97 7.880 -13.527 -5.171 1.00 0.00 C ATOM 802 C ARG A 97 7.298 -12.173 -4.758 1.00 0.00 C ATOM 803 O ARG A 97 8.022 -11.185 -4.613 1.00 0.00 O ATOM 804 CB ARG A 97 8.182 -14.380 -3.927 1.00 0.00 C ATOM 805 CG ARG A 97 9.569 -15.015 -3.926 1.00 0.00 C ATOM 806 CD ARG A 97 9.659 -16.181 -2.956 1.00 0.00 C ATOM 807 NE ARG A 97 10.018 -17.428 -3.640 1.00 0.00 N ATOM 808 CZ ARG A 97 10.595 -18.472 -3.052 1.00 0.00 C ATOM 809 NH1 ARG A 97 10.927 -18.434 -1.777 1.00 0.00 N ATOM 810 NH2 ARG A 97 10.862 -19.552 -3.758 1.00 0.00 N ATOM 0 H ARG A 97 9.912 -13.075 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 97 7.133 -14.041 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.080 -13.756 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.434 -15.169 -3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.811 -15.360 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.312 -14.263 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.401 -15.960 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.703 -16.307 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 97 9.811 -17.499 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.742 -17.595 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.369 -19.243 -1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.626 -19.584 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.304 -20.356 -3.313 1.00 0.00 H new ATOM 824 N ASN A 98 5.977 -12.144 -4.586 1.00 0.00 N ATOM 825 CA ASN A 98 5.255 -10.922 -4.206 1.00 0.00 C ATOM 826 C ASN A 98 4.518 -11.079 -2.866 1.00 0.00 C ATOM 827 O ASN A 98 4.616 -12.113 -2.204 1.00 0.00 O ATOM 828 CB ASN A 98 4.259 -10.556 -5.315 1.00 0.00 C ATOM 829 CG ASN A 98 3.358 -11.717 -5.691 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.753 -12.600 -6.447 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.151 -11.730 -5.154 1.00 0.00 N ATOM 0 H ASN A 98 5.376 -12.960 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 98 5.986 -10.124 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.647 -9.716 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.807 -10.225 -6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.508 -12.494 -5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.862 -10.976 -4.530 1.00 0.00 H new ATOM 838 N ALA A 99 3.775 -10.035 -2.482 1.00 0.00 N ATOM 839 CA ALA A 99 3.008 -10.028 -1.242 1.00 0.00 C ATOM 840 C ALA A 99 1.554 -10.427 -1.500 1.00 0.00 C ATOM 841 O ALA A 99 1.055 -10.309 -2.623 1.00 0.00 O ATOM 842 CB ALA A 99 3.077 -8.649 -0.595 1.00 0.00 C ATOM 0 H ALA A 99 3.692 -9.175 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 99 3.442 -10.760 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.502 -8.652 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.116 -8.402 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.663 -7.906 -1.277 1.00 0.00 H new ATOM 848 N TYR A 100 0.888 -10.901 -0.452 1.00 0.00 N ATOM 849 CA TYR A 100 -0.509 -11.332 -0.537 1.00 0.00 C ATOM 850 C TYR A 100 -1.352 -10.662 0.554 1.00 0.00 C ATOM 851 O TYR A 100 -1.077 -10.821 1.747 1.00 0.00 O ATOM 852 CB TYR A 100 -0.601 -12.860 -0.410 1.00 0.00 C ATOM 853 CG TYR A 100 0.415 -13.614 -1.246 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.752 -13.666 -0.870 1.00 0.00 C ATOM 855 CD2 TYR A 100 0.039 -14.269 -2.410 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.682 -14.347 -1.630 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.964 -14.954 -3.175 1.00 0.00 C ATOM 858 CZ TYR A 100 2.285 -14.988 -2.781 1.00 0.00 C ATOM 859 OH TYR A 100 3.211 -15.665 -3.538 1.00 0.00 O ATOM 0 H TYR A 100 1.296 -10.998 0.478 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.901 -11.032 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.470 -13.135 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.602 -13.178 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.069 -13.165 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.994 -14.243 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.717 -14.376 -1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.654 -15.460 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 100 2.769 -16.063 -4.317 1.00 0.00 H new ATOM 869 N ARG A 101 -2.370 -9.903 0.137 1.00 0.00 N ATOM 870 CA ARG A 101 -3.245 -9.200 1.080 1.00 0.00 C ATOM 871 C ARG A 101 -4.725 -9.388 0.720 1.00 0.00 C ATOM 872 O ARG A 101 -5.268 -8.665 -0.114 1.00 0.00 O ATOM 873 CB ARG A 101 -2.894 -7.708 1.098 1.00 0.00 C ATOM 874 CG ARG A 101 -3.293 -7.004 2.384 1.00 0.00 C ATOM 875 CD ARG A 101 -2.744 -5.589 2.436 1.00 0.00 C ATOM 876 NE ARG A 101 -3.678 -4.661 3.076 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.922 -4.625 4.380 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.334 -5.477 5.196 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.760 -3.736 4.865 1.00 0.00 N ATOM 0 H ARG A 101 -2.608 -9.760 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.087 -9.625 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.820 -7.594 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.386 -7.218 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.380 -6.977 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.925 -7.570 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.800 -5.586 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.529 -5.246 1.424 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.174 -3.998 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.685 -6.172 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.528 -5.441 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.221 -3.076 4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.949 -3.707 5.867 1.00 0.00 H new ATOM 893 N GLU A 102 -5.369 -10.364 1.355 1.00 0.00 N ATOM 894 CA GLU A 102 -6.783 -10.648 1.097 1.00 0.00 C ATOM 895 C GLU A 102 -7.706 -9.709 1.883 1.00 0.00 C ATOM 896 O GLU A 102 -7.301 -9.110 2.884 1.00 0.00 O ATOM 897 CB GLU A 102 -7.097 -12.104 1.443 1.00 0.00 C ATOM 898 CG GLU A 102 -8.477 -12.555 0.983 1.00 0.00 C ATOM 899 CD GLU A 102 -8.557 -14.047 0.739 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.083 -14.498 -0.324 1.00 0.00 O ATOM 901 OE2 GLU A 102 -9.096 -14.762 1.609 1.00 0.00 O ATOM 0 H GLU A 102 -4.937 -10.972 2.051 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.966 -10.479 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.343 -12.747 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.021 -12.237 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.215 -12.275 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.740 -12.027 0.066 1.00 0.00 H new ATOM 908 N CYS A 103 -8.952 -9.584 1.418 1.00 0.00 N ATOM 909 CA CYS A 103 -9.941 -8.719 2.070 1.00 0.00 C ATOM 910 C CYS A 103 -10.946 -9.523 2.904 1.00 0.00 C ATOM 911 O CYS A 103 -12.116 -9.141 3.018 1.00 0.00 O ATOM 912 CB CYS A 103 -10.680 -7.880 1.024 1.00 0.00 C ATOM 913 SG CYS A 103 -10.116 -6.151 0.932 1.00 0.00 S ATOM 0 H CYS A 103 -9.301 -10.071 0.592 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.401 -8.060 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.556 -8.345 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.746 -7.893 1.250 1.00 0.00 H new ATOM 918 N LEU A 104 -10.481 -10.627 3.499 1.00 0.00 N ATOM 919 CA LEU A 104 -11.332 -11.481 4.339 1.00 0.00 C ATOM 920 C LEU A 104 -12.600 -11.942 3.604 1.00 0.00 C ATOM 921 O LEU A 104 -12.784 -11.672 2.414 1.00 0.00 O ATOM 922 CB LEU A 104 -11.693 -10.741 5.634 1.00 0.00 C ATOM 923 CG LEU A 104 -10.505 -10.373 6.526 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.952 -9.467 7.660 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.847 -11.625 7.080 1.00 0.00 C ATOM 0 H LEU A 104 -9.518 -10.952 3.415 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.765 -12.380 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.229 -9.828 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.380 -11.362 6.209 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.775 -9.837 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.095 -9.215 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.382 -8.554 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.701 -9.981 8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.004 -11.344 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.572 -12.186 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.492 -12.244 6.256 1.00 0.00 H new ATOM 937 N GLU A 105 -13.470 -12.646 4.324 1.00 0.00 N ATOM 938 CA GLU A 105 -14.719 -13.153 3.755 1.00 0.00 C ATOM 939 C GLU A 105 -15.857 -12.146 3.944 1.00 0.00 C ATOM 940 O GLU A 105 -16.743 -12.030 3.097 1.00 0.00 O ATOM 941 CB GLU A 105 -15.090 -14.490 4.407 1.00 0.00 C ATOM 942 CG GLU A 105 -15.470 -15.571 3.406 1.00 0.00 C ATOM 943 CD GLU A 105 -16.573 -16.477 3.916 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.274 -17.389 4.714 1.00 0.00 O ATOM 945 OE2 GLU A 105 -17.737 -16.269 3.518 1.00 0.00 O ATOM 0 H GLU A 105 -13.333 -12.880 5.307 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.569 -13.304 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.248 -14.839 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.923 -14.332 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.791 -15.103 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.590 -16.171 3.174 1.00 0.00 H new ATOM 952 N ASN A 106 -15.817 -11.415 5.058 1.00 0.00 N ATOM 953 CA ASN A 106 -16.842 -10.412 5.361 1.00 0.00 C ATOM 954 C ASN A 106 -16.737 -9.207 4.423 1.00 0.00 C ATOM 955 O ASN A 106 -17.749 -8.628 4.028 1.00 0.00 O ATOM 956 CB ASN A 106 -16.722 -9.949 6.818 1.00 0.00 C ATOM 957 CG ASN A 106 -16.949 -11.073 7.809 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.033 -11.644 7.880 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.926 -11.397 8.586 1.00 0.00 N ATOM 0 H ASN A 106 -15.087 -11.497 5.766 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.816 -10.878 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.732 -9.522 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.445 -9.155 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.024 -12.145 9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.040 -10.899 8.497 1.00 0.00 H new ATOM 966 N GLY A 107 -15.507 -8.832 4.072 1.00 0.00 N ATOM 967 CA GLY A 107 -15.294 -7.698 3.185 1.00 0.00 C ATOM 968 C GLY A 107 -14.438 -6.617 3.810 1.00 0.00 C ATOM 969 O GLY A 107 -14.774 -5.435 3.743 1.00 0.00 O ATOM 0 H GLY A 107 -14.654 -9.294 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.820 -8.045 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.259 -7.275 2.906 1.00 0.00 H new ATOM 973 N THR A 108 -13.328 -7.020 4.415 1.00 0.00 N ATOM 974 CA THR A 108 -12.414 -6.077 5.056 1.00 0.00 C ATOM 975 C THR A 108 -10.967 -6.528 4.887 1.00 0.00 C ATOM 976 O THR A 108 -10.650 -7.704 5.065 1.00 0.00 O ATOM 977 CB THR A 108 -12.746 -5.930 6.547 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.057 -7.188 7.126 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.913 -5.002 6.807 1.00 0.00 C ATOM 0 H THR A 108 -13.036 -7.996 4.476 1.00 0.00 H new ATOM 0 HA THR A 108 -12.537 -5.108 4.572 1.00 0.00 H new ATOM 0 HB THR A 108 -11.851 -5.503 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.263 -7.069 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.097 -4.941 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.681 -4.009 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.802 -5.387 6.308 1.00 0.00 H new ATOM 987 N TRP A 109 -10.091 -5.586 4.543 1.00 0.00 N ATOM 988 CA TRP A 109 -8.674 -5.896 4.354 1.00 0.00 C ATOM 989 C TRP A 109 -8.139 -6.734 5.514 1.00 0.00 C ATOM 990 O TRP A 109 -8.554 -6.568 6.667 1.00 0.00 O ATOM 991 CB TRP A 109 -7.847 -4.615 4.239 1.00 0.00 C ATOM 992 CG TRP A 109 -7.959 -3.928 2.910 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.676 -2.801 2.626 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.322 -4.317 1.686 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.529 -2.468 1.301 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.700 -3.381 0.704 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.470 -5.363 1.326 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.253 -3.460 -0.609 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.026 -5.442 0.019 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.418 -4.494 -0.935 1.00 0.00 C ATOM 0 H TRP A 109 -10.335 -4.607 4.390 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.586 -6.466 3.429 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.160 -3.923 5.021 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.800 -4.854 4.425 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.272 -2.251 3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.966 -1.671 0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.163 -6.098 2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.554 -2.731 -1.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.367 -6.247 -0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.054 -4.581 -1.948 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.212 -7.629 5.206 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.614 -8.485 6.225 1.00 0.00 C ATOM 1013 C ALA A 110 -5.689 -7.674 7.139 1.00 0.00 C ATOM 1014 O ALA A 110 -5.097 -6.679 6.715 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.865 -9.639 5.571 1.00 0.00 C ATOM 0 H ALA A 110 -6.857 -7.783 4.262 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.410 -8.901 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.424 -10.270 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.558 -10.230 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.077 -9.244 4.930 1.00 0.00 H new ATOM 1021 N SER A 111 -5.578 -8.098 8.399 1.00 0.00 N ATOM 1022 CA SER A 111 -4.735 -7.402 9.379 1.00 0.00 C ATOM 1023 C SER A 111 -3.291 -7.258 8.880 1.00 0.00 C ATOM 1024 O SER A 111 -2.764 -6.148 8.798 1.00 0.00 O ATOM 1025 CB SER A 111 -4.768 -8.138 10.731 1.00 0.00 C ATOM 1026 OG SER A 111 -3.469 -8.261 11.301 1.00 0.00 O ATOM 0 H SER A 111 -6.060 -8.919 8.767 1.00 0.00 H new ATOM 0 HA SER A 111 -5.139 -6.398 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.418 -7.600 11.421 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.200 -9.129 10.594 1.00 0.00 H new ATOM 0 HG SER A 111 -3.531 -8.732 12.158 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.659 -8.383 8.557 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.275 -8.380 8.076 1.00 0.00 C ATOM 1034 C ARG A 112 -1.193 -8.732 6.593 1.00 0.00 C ATOM 1035 O ARG A 112 -2.164 -9.203 6.001 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.427 -9.367 8.883 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.059 -10.747 9.035 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.771 -10.896 10.373 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.851 -11.891 10.313 1.00 0.00 N ATOM 1040 CZ ARG A 112 -3.570 -12.277 11.364 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -3.375 -11.730 12.548 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -4.496 -13.206 11.225 1.00 0.00 N ATOM 0 H ARG A 112 -3.081 -9.310 8.619 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.887 -7.370 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.545 -9.475 8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.247 -8.950 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.769 -10.914 8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.288 -11.512 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.050 -11.188 11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.182 -9.932 10.675 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.063 -12.312 9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.668 -11.004 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.931 -12.033 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.661 -13.629 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.047 -13.502 12.031 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.022 -8.507 6.001 1.00 0.00 N ATOM 1057 CA VAL A 113 0.198 -8.804 4.591 1.00 0.00 C ATOM 1058 C VAL A 113 1.232 -9.918 4.430 1.00 0.00 C ATOM 1059 O VAL A 113 2.293 -9.889 5.056 1.00 0.00 O ATOM 1060 CB VAL A 113 0.679 -7.562 3.818 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.164 -7.597 2.391 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.249 -6.276 4.511 1.00 0.00 C ATOM 0 H VAL A 113 0.791 -8.119 6.480 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.759 -9.125 4.180 1.00 0.00 H new ATOM 0 HB VAL A 113 1.769 -7.579 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.512 -6.713 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.535 -8.492 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.926 -7.611 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.604 -5.418 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.839 -6.244 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.673 -6.244 5.515 1.00 0.00 H new ATOM 1072 N ASN A 114 0.920 -10.903 3.595 1.00 0.00 N ATOM 1073 CA ASN A 114 1.831 -12.024 3.369 1.00 0.00 C ATOM 1074 C ASN A 114 2.995 -11.621 2.464 1.00 0.00 C ATOM 1075 O ASN A 114 2.931 -11.779 1.246 1.00 0.00 O ATOM 1076 CB ASN A 114 1.071 -13.207 2.765 1.00 0.00 C ATOM 1077 CG ASN A 114 0.684 -14.233 3.807 1.00 0.00 C ATOM 1078 OD1 ASN A 114 -0.324 -14.087 4.491 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.487 -15.277 3.939 1.00 0.00 N ATOM 0 H ASN A 114 0.049 -10.950 3.065 1.00 0.00 H new ATOM 0 HA ASN A 114 2.246 -12.322 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.173 -12.843 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.689 -13.682 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.277 -15.998 4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 114 2.316 -15.361 3.350 1.00 0.00 H new ATOM 1086 N TYR A 115 4.056 -11.093 3.068 1.00 0.00 N ATOM 1087 CA TYR A 115 5.237 -10.662 2.308 1.00 0.00 C ATOM 1088 C TYR A 115 6.514 -11.399 2.741 1.00 0.00 C ATOM 1089 O TYR A 115 7.617 -11.026 2.328 1.00 0.00 O ATOM 1090 CB TYR A 115 5.446 -9.145 2.434 1.00 0.00 C ATOM 1091 CG TYR A 115 4.958 -8.537 3.733 1.00 0.00 C ATOM 1092 CD1 TYR A 115 5.357 -9.045 4.965 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.117 -7.435 3.721 1.00 0.00 C ATOM 1094 CE1 TYR A 115 4.928 -8.468 6.146 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.682 -6.858 4.897 1.00 0.00 C ATOM 1096 CZ TYR A 115 4.090 -7.376 6.103 1.00 0.00 C ATOM 1097 OH TYR A 115 3.674 -6.785 7.272 1.00 0.00 O ATOM 0 H TYR A 115 4.127 -10.952 4.076 1.00 0.00 H new ATOM 0 HA TYR A 115 5.044 -10.916 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.509 -8.930 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.936 -8.653 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.012 -9.903 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.797 -7.021 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.248 -8.871 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.023 -6.003 4.870 1.00 0.00 H new ATOM 0 HH TYR A 115 4.404 -6.249 7.645 1.00 0.00 H new ATOM 1107 N SER A 116 6.368 -12.452 3.554 1.00 0.00 N ATOM 1108 CA SER A 116 7.522 -13.232 4.018 1.00 0.00 C ATOM 1109 C SER A 116 8.392 -13.716 2.851 1.00 0.00 C ATOM 1110 O SER A 116 9.586 -13.956 3.022 1.00 0.00 O ATOM 1111 CB SER A 116 7.063 -14.427 4.857 1.00 0.00 C ATOM 1112 OG SER A 116 8.055 -14.793 5.803 1.00 0.00 O ATOM 0 H SER A 116 5.468 -12.782 3.903 1.00 0.00 H new ATOM 0 HA SER A 116 8.129 -12.571 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.136 -14.179 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.847 -15.273 4.204 1.00 0.00 H new ATOM 0 HG SER A 116 7.739 -15.557 6.329 1.00 0.00 H new ATOM 1118 N HIS A 117 7.793 -13.842 1.662 1.00 0.00 N ATOM 1119 CA HIS A 117 8.527 -14.283 0.472 1.00 0.00 C ATOM 1120 C HIS A 117 9.495 -13.205 -0.041 1.00 0.00 C ATOM 1121 O HIS A 117 10.270 -13.455 -0.968 1.00 0.00 O ATOM 1122 CB HIS A 117 7.548 -14.656 -0.644 1.00 0.00 C ATOM 1123 CG HIS A 117 6.918 -16.004 -0.486 1.00 0.00 C ATOM 1124 ND1 HIS A 117 7.305 -16.917 0.471 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.914 -16.589 -1.177 1.00 0.00 C ATOM 1126 CE1 HIS A 117 6.565 -18.007 0.362 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.711 -17.834 -0.630 1.00 0.00 N ATOM 0 H HIS A 117 6.806 -13.646 1.499 1.00 0.00 H new ATOM 0 HA HIS A 117 9.114 -15.155 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.761 -13.903 -0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.074 -14.623 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.372 -16.158 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.645 -18.889 0.980 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.015 -18.512 -0.940 1.00 0.00 H new ATOM 1136 N CYS A 118 9.449 -12.005 0.551 1.00 0.00 N ATOM 1137 CA CYS A 118 10.321 -10.908 0.130 1.00 0.00 C ATOM 1138 C CYS A 118 11.791 -11.170 0.487 1.00 0.00 C ATOM 1139 O CYS A 118 12.420 -10.380 1.200 1.00 0.00 O ATOM 1140 CB CYS A 118 9.852 -9.585 0.747 1.00 0.00 C ATOM 1141 SG CYS A 118 10.422 -8.112 -0.156 1.00 0.00 S ATOM 0 H CYS A 118 8.819 -11.772 1.319 1.00 0.00 H new ATOM 0 HA CYS A 118 10.255 -10.840 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.763 -9.578 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.207 -9.529 1.776 1.00 0.00 H new ATOM 1146 N GLU A 119 12.338 -12.270 -0.034 1.00 0.00 N ATOM 1147 CA GLU A 119 13.739 -12.635 0.197 1.00 0.00 C ATOM 1148 C GLU A 119 14.642 -11.891 -0.795 1.00 0.00 C ATOM 1149 O GLU A 119 14.148 -11.320 -1.772 1.00 0.00 O ATOM 1150 CB GLU A 119 13.930 -14.156 0.070 1.00 0.00 C ATOM 1151 CG GLU A 119 13.411 -14.747 -1.239 1.00 0.00 C ATOM 1152 CD GLU A 119 12.854 -16.148 -1.073 1.00 0.00 C ATOM 1153 OE1 GLU A 119 11.743 -16.282 -0.512 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.521 -17.111 -1.505 1.00 0.00 O ATOM 0 H GLU A 119 11.828 -12.929 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 119 14.016 -12.344 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.991 -14.386 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.423 -14.645 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.634 -14.098 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.220 -14.767 -1.969 1.00 0.00 H new ATOM 1161 N PRO A 120 15.971 -11.856 -0.564 1.00 0.00 N ATOM 1162 CA PRO A 120 16.907 -11.157 -1.447 1.00 0.00 C ATOM 1163 C PRO A 120 17.412 -12.021 -2.599 1.00 0.00 C ATOM 1164 O PRO A 120 17.045 -13.189 -2.729 1.00 0.00 O ATOM 1165 CB PRO A 120 18.079 -10.798 -0.523 1.00 0.00 C ATOM 1166 CG PRO A 120 17.887 -11.592 0.741 1.00 0.00 C ATOM 1167 CD PRO A 120 16.673 -12.475 0.561 1.00 0.00 C ATOM 0 HA PRO A 120 16.426 -10.302 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.032 -11.042 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.092 -9.729 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.770 -12.196 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.750 -10.925 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.954 -13.505 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.055 -12.497 1.458 1.00 0.00 H new ATOM 1175 N ILE A 121 18.279 -11.435 -3.419 1.00 0.00 N ATOM 1176 CA ILE A 121 18.868 -12.142 -4.545 1.00 0.00 C ATOM 1177 C ILE A 121 20.133 -12.871 -4.091 1.00 0.00 C ATOM 1178 O ILE A 121 20.952 -12.309 -3.357 1.00 0.00 O ATOM 1179 CB ILE A 121 19.185 -11.181 -5.715 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.297 -11.957 -7.029 1.00 0.00 C ATOM 1181 CG2 ILE A 121 20.462 -10.395 -5.448 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.458 -11.379 -8.148 1.00 0.00 C ATOM 0 H ILE A 121 18.589 -10.468 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 121 18.143 -12.871 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 121 18.364 -10.469 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.341 -11.976 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.996 -12.991 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.661 -9.728 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.344 -9.808 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.296 -11.086 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.588 -11.980 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.408 -11.385 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.773 -10.355 -8.348 1.00 0.00 H new ATOM 1194 N LEU A 122 20.272 -14.131 -4.500 1.00 0.00 N ATOM 1195 CA LEU A 122 21.419 -14.948 -4.109 1.00 0.00 C ATOM 1196 C LEU A 122 21.394 -15.207 -2.600 1.00 0.00 C ATOM 1197 O LEU A 122 20.354 -15.547 -2.034 1.00 0.00 O ATOM 1198 CB LEU A 122 22.735 -14.273 -4.523 1.00 0.00 C ATOM 1199 CG LEU A 122 23.980 -14.760 -3.783 1.00 0.00 C ATOM 1200 CD1 LEU A 122 25.107 -15.040 -4.763 1.00 0.00 C ATOM 1201 CD2 LEU A 122 24.414 -13.735 -2.748 1.00 0.00 C ATOM 0 H LEU A 122 19.603 -14.609 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 122 21.355 -15.905 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 122 22.884 -14.429 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.637 -13.198 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 122 23.736 -15.689 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 122 25.985 -15.386 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.792 -15.808 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 122 25.353 -14.127 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.302 -14.096 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.642 -12.791 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.610 -13.582 -2.028 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 23.406 -3.972 1.417 1.00 0.00 N ATOM 1215 CA LEU B 227 22.967 -5.284 0.978 1.00 0.00 C ATOM 1216 C LEU B 227 22.603 -6.139 2.183 1.00 0.00 C ATOM 1217 O LEU B 227 21.764 -7.036 2.101 1.00 0.00 O ATOM 1218 CB LEU B 227 24.065 -5.943 0.140 1.00 0.00 C ATOM 1219 CG LEU B 227 25.266 -6.486 0.923 1.00 0.00 C ATOM 1220 CD1 LEU B 227 25.139 -7.985 1.132 1.00 0.00 C ATOM 1221 CD2 LEU B 227 26.561 -6.159 0.199 1.00 0.00 C ATOM 0 HA LEU B 227 22.078 -5.183 0.355 1.00 0.00 H new ATOM 0 HB2 LEU B 227 23.622 -6.764 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU B 227 24.428 -5.216 -0.586 1.00 0.00 H new ATOM 0 HG LEU B 227 25.283 -6.005 1.901 1.00 0.00 H new ATOM 0 HD11 LEU B 227 26.002 -8.349 1.690 1.00 0.00 H new ATOM 0 HD12 LEU B 227 24.229 -8.198 1.692 1.00 0.00 H new ATOM 0 HD13 LEU B 227 25.095 -8.485 0.164 1.00 0.00 H new ATOM 0 HD21 LEU B 227 27.405 -6.551 0.767 1.00 0.00 H new ATOM 0 HD22 LEU B 227 26.549 -6.613 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU B 227 26.660 -5.078 0.101 1.00 0.00 H new ATOM 1233 N ALA B 228 23.234 -5.822 3.304 1.00 0.00 N ATOM 1234 CA ALA B 228 23.000 -6.524 4.560 1.00 0.00 C ATOM 1235 C ALA B 228 22.442 -5.585 5.643 1.00 0.00 C ATOM 1236 O ALA B 228 22.396 -5.941 6.824 1.00 0.00 O ATOM 1237 CB ALA B 228 24.292 -7.180 5.027 1.00 0.00 C ATOM 0 H ALA B 228 23.922 -5.072 3.370 1.00 0.00 H new ATOM 0 HA ALA B 228 22.248 -7.293 4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 228 24.115 -7.704 5.966 1.00 0.00 H new ATOM 0 HB2 ALA B 228 24.633 -7.890 4.273 1.00 0.00 H new ATOM 0 HB3 ALA B 228 25.055 -6.416 5.176 1.00 0.00 H new ATOM 1243 N GLN B 229 22.016 -4.384 5.232 1.00 0.00 N ATOM 1244 CA GLN B 229 21.465 -3.400 6.165 1.00 0.00 C ATOM 1245 C GLN B 229 20.260 -2.672 5.563 1.00 0.00 C ATOM 1246 O GLN B 229 19.147 -2.775 6.084 1.00 0.00 O ATOM 1247 CB GLN B 229 22.544 -2.392 6.587 1.00 0.00 C ATOM 1248 CG GLN B 229 23.436 -1.911 5.447 1.00 0.00 C ATOM 1249 CD GLN B 229 24.911 -2.040 5.762 1.00 0.00 C ATOM 1250 OE1 GLN B 229 25.518 -3.080 5.522 1.00 0.00 O ATOM 1251 NE2 GLN B 229 25.499 -0.983 6.300 1.00 0.00 N ATOM 0 H GLN B 229 22.043 -4.073 4.261 1.00 0.00 H new ATOM 0 HA GLN B 229 21.123 -3.938 7.049 1.00 0.00 H new ATOM 0 HB2 GLN B 229 22.059 -1.528 7.042 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.170 -2.848 7.354 1.00 0.00 H new ATOM 0 HG2 GLN B 229 23.210 -2.484 4.548 1.00 0.00 H new ATOM 0 HG3 GLN B 229 23.206 -0.869 5.227 1.00 0.00 H new ATOM 0 HE21 GLN B 229 24.959 -0.137 6.484 1.00 0.00 H new ATOM 0 HE22 GLN B 229 26.492 -1.014 6.531 1.00 0.00 H new ATOM 1260 N GLU B 230 20.479 -1.945 4.461 1.00 0.00 N ATOM 1261 CA GLU B 230 19.403 -1.207 3.795 1.00 0.00 C ATOM 1262 C GLU B 230 18.234 -2.130 3.448 1.00 0.00 C ATOM 1263 O GLU B 230 17.083 -1.830 3.770 1.00 0.00 O ATOM 1264 CB GLU B 230 19.929 -0.502 2.542 1.00 0.00 C ATOM 1265 CG GLU B 230 20.835 0.686 2.848 1.00 0.00 C ATOM 1266 CD GLU B 230 20.071 1.890 3.368 1.00 0.00 C ATOM 1267 OE1 GLU B 230 20.087 2.958 2.758 1.00 0.00 O ATOM 0 H GLU B 230 21.391 -1.853 4.013 1.00 0.00 H new ATOM 0 HA GLU B 230 19.035 -0.449 4.487 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.478 -1.221 1.934 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.084 -0.160 1.945 1.00 0.00 H new ATOM 0 HG2 GLU B 230 21.580 0.388 3.586 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.376 0.967 1.944 1.00 0.00 H new ATOM 1274 N ALA B 231 18.535 -3.268 2.828 1.00 0.00 N ATOM 1275 CA ALA B 231 17.496 -4.234 2.485 1.00 0.00 C ATOM 1276 C ALA B 231 16.884 -4.822 3.752 1.00 0.00 C ATOM 1277 O ALA B 231 15.683 -5.091 3.810 1.00 0.00 O ATOM 1278 CB ALA B 231 18.057 -5.333 1.603 1.00 0.00 C ATOM 0 H ALA B 231 19.479 -3.542 2.555 1.00 0.00 H new ATOM 0 HA ALA B 231 16.714 -3.718 1.928 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.267 -6.043 1.359 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.450 -4.897 0.684 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.858 -5.850 2.131 1.00 0.00 H new ATOM 1284 N HIS B 232 17.724 -4.994 4.778 1.00 0.00 N ATOM 1285 CA HIS B 232 17.278 -5.520 6.063 1.00 0.00 C ATOM 1286 C HIS B 232 16.309 -4.533 6.711 1.00 0.00 C ATOM 1287 O HIS B 232 15.202 -4.908 7.101 1.00 0.00 O ATOM 1288 CB HIS B 232 18.483 -5.781 6.982 1.00 0.00 C ATOM 1289 CG HIS B 232 18.522 -7.149 7.599 1.00 0.00 C ATOM 1290 ND1 HIS B 232 17.560 -8.117 7.385 1.00 0.00 N ATOM 1291 CD2 HIS B 232 19.430 -7.708 8.434 1.00 0.00 C ATOM 1292 CE1 HIS B 232 17.875 -9.207 8.064 1.00 0.00 C ATOM 1293 NE2 HIS B 232 19.005 -8.984 8.708 1.00 0.00 N ATOM 0 H HIS B 232 18.719 -4.774 4.738 1.00 0.00 H new ATOM 0 HA HIS B 232 16.763 -6.467 5.904 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.398 -5.630 6.409 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.481 -5.038 7.780 1.00 0.00 H new ATOM 0 HD2 HIS B 232 20.324 -7.236 8.814 1.00 0.00 H new ATOM 0 HE1 HIS B 232 17.305 -10.124 8.088 1.00 0.00 H new ATOM 0 HE2 HIS B 232 19.485 -9.652 9.312 1.00 0.00 H new ATOM 1302 N LYS B 233 16.719 -3.262 6.790 1.00 0.00 N ATOM 1303 CA LYS B 233 15.858 -2.226 7.357 1.00 0.00 C ATOM 1304 C LYS B 233 14.591 -2.092 6.518 1.00 0.00 C ATOM 1305 O LYS B 233 13.498 -1.913 7.059 1.00 0.00 O ATOM 1306 CB LYS B 233 16.590 -0.877 7.464 1.00 0.00 C ATOM 1307 CG LYS B 233 17.106 -0.334 6.139 1.00 0.00 C ATOM 1308 CD LYS B 233 17.647 1.085 6.285 1.00 0.00 C ATOM 1309 CE LYS B 233 19.123 1.094 6.667 1.00 0.00 C ATOM 1310 NZ LYS B 233 19.962 1.635 5.599 1.00 0.00 N ATOM 0 H LYS B 233 17.630 -2.932 6.472 1.00 0.00 H new ATOM 0 HA LYS B 233 15.585 -2.524 8.369 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.913 -0.144 7.904 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.430 -0.987 8.149 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.892 -0.986 5.760 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.302 -0.343 5.404 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.511 1.624 5.347 1.00 0.00 H new ATOM 0 HD3 LYS B 233 17.072 1.616 7.044 1.00 0.00 H new ATOM 0 HE2 LYS B 233 19.260 1.687 7.571 1.00 0.00 H new ATOM 0 HE3 LYS B 233 19.443 0.079 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 20.648 0.914 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 19.365 1.904 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.471 2.473 5.948 1.00 0.00 H new ATOM 1322 N ASN B 234 14.737 -2.224 5.194 1.00 0.00 N ATOM 1323 CA ASN B 234 13.589 -2.161 4.291 1.00 0.00 C ATOM 1324 C ASN B 234 12.636 -3.298 4.603 1.00 0.00 C ATOM 1325 O ASN B 234 11.465 -3.085 4.915 1.00 0.00 O ATOM 1326 CB ASN B 234 14.028 -2.278 2.833 1.00 0.00 C ATOM 1327 CG ASN B 234 12.916 -1.896 1.873 1.00 0.00 C ATOM 1328 OD1 ASN B 234 11.835 -1.492 2.288 1.00 0.00 O ATOM 1329 ND2 ASN B 234 13.163 -2.036 0.585 1.00 0.00 N ATOM 0 H ASN B 234 15.633 -2.374 4.730 1.00 0.00 H new ATOM 0 HA ASN B 234 13.098 -1.199 4.436 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.892 -1.636 2.662 1.00 0.00 H new ATOM 0 HB3 ASN B 234 14.346 -3.301 2.631 1.00 0.00 H new ATOM 0 HD21 ASN B 234 12.443 -1.806 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN B 234 14.074 -2.375 0.274 1.00 0.00 H new ATOM 1336 N ARG B 235 13.165 -4.514 4.536 1.00 0.00 N ATOM 1337 CA ARG B 235 12.370 -5.702 4.834 1.00 0.00 C ATOM 1338 C ARG B 235 11.724 -5.562 6.212 1.00 0.00 C ATOM 1339 O ARG B 235 10.592 -5.995 6.421 1.00 0.00 O ATOM 1340 CB ARG B 235 13.221 -6.968 4.748 1.00 0.00 C ATOM 1341 CG ARG B 235 12.714 -7.953 3.707 1.00 0.00 C ATOM 1342 CD ARG B 235 13.052 -7.505 2.301 1.00 0.00 C ATOM 1343 NE ARG B 235 14.491 -7.540 2.072 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.228 -8.642 2.109 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.662 -9.834 2.101 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.538 -8.547 2.072 1.00 0.00 N ATOM 0 H ARG B 235 14.134 -4.704 4.280 1.00 0.00 H new ATOM 0 HA ARG B 235 11.580 -5.791 4.088 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.249 -6.693 4.510 1.00 0.00 H new ATOM 0 HB3 ARG B 235 13.238 -7.455 5.723 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.151 -8.934 3.891 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.634 -8.062 3.805 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.550 -8.150 1.580 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.679 -6.494 2.138 1.00 0.00 H new ATOM 0 HE ARG B 235 14.963 -6.658 1.870 1.00 0.00 H new ATOM 0 HH11 ARG B 235 13.646 -9.916 2.066 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.241 -10.674 2.130 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.981 -7.630 2.015 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.111 -9.390 2.100 1.00 0.00 H new ATOM 1360 N LYS B 236 12.441 -4.911 7.135 1.00 0.00 N ATOM 1361 CA LYS B 236 11.926 -4.657 8.480 1.00 0.00 C ATOM 1362 C LYS B 236 10.659 -3.808 8.390 1.00 0.00 C ATOM 1363 O LYS B 236 9.632 -4.143 8.976 1.00 0.00 O ATOM 1364 CB LYS B 236 12.978 -3.942 9.335 1.00 0.00 C ATOM 1365 CG LYS B 236 13.292 -4.657 10.637 1.00 0.00 C ATOM 1366 CD LYS B 236 14.047 -5.952 10.382 1.00 0.00 C ATOM 1367 CE LYS B 236 13.897 -6.927 11.536 1.00 0.00 C ATOM 1368 NZ LYS B 236 14.430 -8.276 11.187 1.00 0.00 N ATOM 0 H LYS B 236 13.381 -4.551 6.972 1.00 0.00 H new ATOM 0 HA LYS B 236 11.691 -5.611 8.953 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.896 -3.840 8.756 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.628 -2.934 9.559 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.886 -4.006 11.279 1.00 0.00 H new ATOM 0 HG3 LYS B 236 12.366 -4.871 11.170 1.00 0.00 H new ATOM 0 HD2 LYS B 236 13.679 -6.413 9.466 1.00 0.00 H new ATOM 0 HD3 LYS B 236 15.103 -5.733 10.226 1.00 0.00 H new ATOM 0 HE2 LYS B 236 14.423 -6.542 12.409 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.845 -7.010 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 14.311 -8.917 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 13.911 -8.653 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 15.440 -8.200 10.951 1.00 0.00 H new ATOM 1382 N LEU B 237 10.734 -2.723 7.613 1.00 0.00 N ATOM 1383 CA LEU B 237 9.585 -1.837 7.399 1.00 0.00 C ATOM 1384 C LEU B 237 8.340 -2.660 7.053 1.00 0.00 C ATOM 1385 O LEU B 237 7.216 -2.295 7.405 1.00 0.00 O ATOM 1386 CB LEU B 237 9.887 -0.834 6.274 1.00 0.00 C ATOM 1387 CG LEU B 237 9.946 0.632 6.707 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.605 1.081 7.263 1.00 0.00 C ATOM 1389 CD2 LEU B 237 11.047 0.839 7.732 1.00 0.00 C ATOM 0 H LEU B 237 11.580 -2.437 7.121 1.00 0.00 H new ATOM 0 HA LEU B 237 9.396 -1.283 8.319 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.841 -1.100 5.818 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.124 -0.938 5.502 1.00 0.00 H new ATOM 0 HG LEU B 237 10.172 1.240 5.831 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.668 2.126 7.565 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.838 0.970 6.497 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.346 0.469 8.127 1.00 0.00 H new ATOM 0 HD21 LEU B 237 11.075 1.887 8.029 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.851 0.219 8.607 1.00 0.00 H new ATOM 0 HD23 LEU B 237 12.006 0.559 7.297 1.00 0.00 H new HETATM 1401 N NLE B 238 8.564 -3.786 6.374 1.00 0.00 N HETATM 1402 CA NLE B 238 7.491 -4.695 5.984 1.00 0.00 C HETATM 1403 C NLE B 238 6.749 -5.237 7.211 1.00 0.00 C HETATM 1404 O NLE B 238 5.515 -5.207 7.262 1.00 0.00 O HETATM 1405 CB NLE B 238 8.078 -5.845 5.161 1.00 0.00 C HETATM 1406 CG NLE B 238 7.111 -6.437 4.155 1.00 0.00 C HETATM 1407 CD NLE B 238 7.608 -6.270 2.730 1.00 0.00 C HETATM 1408 CE NLE B 238 7.742 -4.827 2.305 1.00 0.00 C HETATM 0 HG3 NLE B 238 6.968 -7.496 4.368 1.00 0.00 H new HETATM 0 HG2 NLE B 238 6.138 -5.956 4.259 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.771 -4.336 2.372 1.00 0.00 H new HETATM 0 HE2 NLE B 238 8.451 -4.319 2.959 1.00 0.00 H new HETATM 0 HE1 NLE B 238 8.101 -4.782 1.277 1.00 0.00 H new HETATM 0 HD3 NLE B 238 8.576 -6.761 2.631 1.00 0.00 H new HETATM 0 HD2 NLE B 238 6.922 -6.778 2.052 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.962 -5.487 4.633 1.00 0.00 H new HETATM 0 HB2 NLE B 238 8.409 -6.632 5.839 1.00 0.00 H new HETATM 0 HA NLE B 238 6.768 -4.146 5.380 1.00 0.00 H new ATOM 1420 N GLU B 239 7.500 -5.709 8.210 1.00 0.00 N ATOM 1421 CA GLU B 239 6.899 -6.237 9.439 1.00 0.00 C ATOM 1422 C GLU B 239 6.027 -5.179 10.127 1.00 0.00 C ATOM 1423 O GLU B 239 5.113 -5.518 10.881 1.00 0.00 O ATOM 1424 CB GLU B 239 7.982 -6.763 10.396 1.00 0.00 C ATOM 1425 CG GLU B 239 8.652 -5.686 11.247 1.00 0.00 C ATOM 1426 CD GLU B 239 10.116 -5.979 11.549 1.00 0.00 C ATOM 1427 OE1 GLU B 239 10.771 -6.688 10.752 1.00 0.00 O ATOM 1428 OE2 GLU B 239 10.611 -5.493 12.586 1.00 0.00 O ATOM 0 H GLU B 239 8.519 -5.737 8.193 1.00 0.00 H new ATOM 0 HA GLU B 239 6.255 -7.072 9.164 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.535 -7.505 11.057 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.747 -7.275 9.813 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.579 -4.728 10.731 1.00 0.00 H new ATOM 0 HG3 GLU B 239 8.108 -5.584 12.186 1.00 0.00 H new ATOM 1435 N ILE B 240 6.290 -3.898 9.843 1.00 0.00 N ATOM 1436 CA ILE B 240 5.504 -2.808 10.418 1.00 0.00 C ATOM 1437 C ILE B 240 4.064 -2.834 9.888 1.00 0.00 C ATOM 1438 O ILE B 240 3.148 -2.339 10.545 1.00 0.00 O ATOM 1439 CB ILE B 240 6.125 -1.427 10.112 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.573 -1.353 10.596 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.301 -0.322 10.757 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.223 -0.007 10.347 1.00 0.00 C ATOM 0 H ILE B 240 7.039 -3.595 9.220 1.00 0.00 H new ATOM 0 HA ILE B 240 5.502 -2.959 11.497 1.00 0.00 H new ATOM 0 HB ILE B 240 6.121 -1.289 9.031 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.603 -1.571 11.664 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.155 -2.127 10.096 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.751 0.645 10.533 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.285 -0.349 10.364 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.277 -0.469 11.837 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.249 -0.025 10.715 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.225 0.204 9.278 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.664 0.769 10.869 1.00 0.00 H new ATOM 1454 N ILE B 241 3.869 -3.420 8.699 1.00 0.00 N ATOM 1455 CA ILE B 241 2.536 -3.506 8.096 1.00 0.00 C ATOM 1456 C ILE B 241 1.684 -4.556 8.808 1.00 0.00 C ATOM 1457 O ILE B 241 0.602 -4.255 9.316 1.00 0.00 O ATOM 1458 CB ILE B 241 2.595 -3.851 6.588 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.704 -3.067 5.880 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.259 -3.558 5.930 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.557 -1.566 5.997 1.00 0.00 C ATOM 0 H ILE B 241 4.613 -3.838 8.140 1.00 0.00 H new ATOM 0 HA ILE B 241 2.084 -2.520 8.208 1.00 0.00 H new ATOM 0 HB ILE B 241 2.818 -4.914 6.498 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.668 -3.362 6.295 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.714 -3.341 4.825 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.314 -3.805 4.870 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.481 -4.158 6.403 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.021 -2.500 6.044 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.378 -1.078 5.472 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.609 -1.258 5.555 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.578 -1.279 7.048 1.00 0.00 H new TER 1473 ILE B 241