USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 452 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 70 LYS NZ :NH3+ -139:sc= 0.179 (180deg=-1.65) USER MOD Set 1.2: A 80 SER OG : rot -62:sc= 0.963 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 180:sc= 0.833 (180deg=-0.036) USER MOD Set 2.2: A 60 THR OG1 : rot -110:sc= -0.48 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -47:sc= 1.82 USER MOD Single : A 48 SER OG : rot 100:sc= -0.495 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 55 HIS : no HE2:sc= -4.14 K(o=-4.1,f=-5.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.282 (180deg=-1.44!) USER MOD Single : A 65 THR OG1 : rot -84:sc= 0.42 USER MOD Single : A 68 MET CE :methyl -134:sc= -0.937 (180deg=-1.24) USER MOD Single : A 73 CYS SG : rot 140:sc= -1.07 USER MOD Single : A 76 TYR OH : rot -162:sc= -0.592 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc=-0.00341 (180deg=-0.472) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-4.7!) USER MOD Single : A 96 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 44 -9.582 4.934 6.838 1.00 0.00 N ATOM 2 CA LYS A 44 -8.272 5.246 7.468 1.00 0.00 C ATOM 3 C LYS A 44 -7.328 5.915 6.475 1.00 0.00 C ATOM 4 O LYS A 44 -6.953 5.323 5.463 1.00 0.00 O ATOM 5 CB LYS A 44 -7.659 3.943 7.985 1.00 0.00 C ATOM 6 CG LYS A 44 -8.310 3.426 9.258 1.00 0.00 C ATOM 7 CD LYS A 44 -7.441 3.687 10.480 1.00 0.00 C ATOM 8 CE LYS A 44 -8.157 4.559 11.499 1.00 0.00 C ATOM 9 NZ LYS A 44 -7.595 4.389 12.868 1.00 0.00 N ATOM 0 HA LYS A 44 -8.427 5.942 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.740 3.181 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.596 4.099 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.280 3.906 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.494 2.356 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.166 2.738 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.515 4.172 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.078 5.605 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.218 4.310 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.110 5.000 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.693 3.396 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.589 4.651 12.865 1.00 0.00 H new ATOM 23 N VAL A 45 -6.946 7.153 6.773 1.00 0.00 N ATOM 24 CA VAL A 45 -6.044 7.903 5.907 1.00 0.00 C ATOM 25 C VAL A 45 -4.616 7.376 6.015 1.00 0.00 C ATOM 26 O VAL A 45 -3.863 7.390 5.042 1.00 0.00 O ATOM 27 CB VAL A 45 -6.057 9.406 6.251 1.00 0.00 C ATOM 28 CG1 VAL A 45 -5.587 9.635 7.680 1.00 0.00 C ATOM 29 CG2 VAL A 45 -5.200 10.189 5.268 1.00 0.00 C ATOM 0 H VAL A 45 -7.247 7.657 7.607 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.399 7.771 4.885 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.082 9.766 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.604 10.702 7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.249 9.111 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.571 9.257 7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.223 11.247 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.173 9.826 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.590 10.055 4.259 1.00 0.00 H new ATOM 39 N GLU A 46 -4.253 6.911 7.207 1.00 0.00 N ATOM 40 CA GLU A 46 -2.917 6.376 7.447 1.00 0.00 C ATOM 41 C GLU A 46 -2.761 4.967 6.872 1.00 0.00 C ATOM 42 O GLU A 46 -1.694 4.363 6.981 1.00 0.00 O ATOM 43 CB GLU A 46 -2.617 6.358 8.947 1.00 0.00 C ATOM 44 CG GLU A 46 -3.523 5.428 9.736 1.00 0.00 C ATOM 45 CD GLU A 46 -2.774 4.650 10.800 1.00 0.00 C ATOM 46 OE1 GLU A 46 -1.793 5.191 11.352 1.00 0.00 O ATOM 47 OE2 GLU A 46 -3.168 3.499 11.082 1.00 0.00 O ATOM 0 H GLU A 46 -4.866 6.894 8.022 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.206 7.028 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.580 6.057 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.716 7.369 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.315 6.011 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.005 4.730 9.052 1.00 0.00 H new ATOM 54 N TYR A 47 -3.826 4.443 6.265 1.00 0.00 N ATOM 55 CA TYR A 47 -3.792 3.104 5.684 1.00 0.00 C ATOM 56 C TYR A 47 -3.588 2.052 6.765 1.00 0.00 C ATOM 57 O TYR A 47 -2.469 1.598 7.004 1.00 0.00 O ATOM 58 CB TYR A 47 -2.682 3.002 4.635 1.00 0.00 C ATOM 59 CG TYR A 47 -2.879 3.927 3.454 1.00 0.00 C ATOM 60 CD1 TYR A 47 -4.130 4.082 2.871 1.00 0.00 C ATOM 61 CD2 TYR A 47 -1.814 4.645 2.925 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.314 4.927 1.792 1.00 0.00 C ATOM 63 CE2 TYR A 47 -1.990 5.492 1.847 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.241 5.629 1.285 1.00 0.00 C ATOM 65 OH TYR A 47 -3.420 6.471 0.212 1.00 0.00 O ATOM 0 H TYR A 47 -4.719 4.925 6.164 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.751 2.921 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.726 3.227 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.626 1.974 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.972 3.534 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.833 4.540 3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.293 5.037 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.152 6.043 1.447 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.935 6.010 -0.483 1.00 0.00 H new ATOM 75 N SER A 48 -4.681 1.667 7.412 1.00 0.00 N ATOM 76 CA SER A 48 -4.631 0.663 8.466 1.00 0.00 C ATOM 77 C SER A 48 -4.390 -0.715 7.872 1.00 0.00 C ATOM 78 O SER A 48 -3.469 -1.424 8.273 1.00 0.00 O ATOM 79 CB SER A 48 -5.934 0.667 9.269 1.00 0.00 C ATOM 80 OG SER A 48 -7.044 0.363 8.442 1.00 0.00 O ATOM 0 H SER A 48 -5.613 2.036 7.225 1.00 0.00 H new ATOM 0 HA SER A 48 -3.806 0.907 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.869 -0.061 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.077 1.644 9.731 1.00 0.00 H new ATOM 0 HG SER A 48 -7.289 -0.579 8.556 1.00 0.00 H new ATOM 86 N GLU A 49 -5.230 -1.074 6.907 1.00 0.00 N ATOM 87 CA GLU A 49 -5.148 -2.355 6.221 1.00 0.00 C ATOM 88 C GLU A 49 -6.441 -2.621 5.456 1.00 0.00 C ATOM 89 O GLU A 49 -6.421 -3.136 4.338 1.00 0.00 O ATOM 90 CB GLU A 49 -4.895 -3.491 7.214 1.00 0.00 C ATOM 91 CG GLU A 49 -5.952 -3.605 8.299 1.00 0.00 C ATOM 92 CD GLU A 49 -5.367 -3.991 9.644 1.00 0.00 C ATOM 93 OE1 GLU A 49 -4.715 -5.053 9.725 1.00 0.00 O ATOM 94 OE2 GLU A 49 -5.562 -3.231 10.616 1.00 0.00 O ATOM 0 H GLU A 49 -5.991 -0.480 6.578 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.313 -2.313 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.845 -4.433 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.922 -3.342 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.474 -2.653 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.693 -4.347 8.003 1.00 0.00 H new ATOM 101 N GLU A 50 -7.564 -2.262 6.071 1.00 0.00 N ATOM 102 CA GLU A 50 -8.876 -2.453 5.461 1.00 0.00 C ATOM 103 C GLU A 50 -8.962 -1.775 4.100 1.00 0.00 C ATOM 104 O GLU A 50 -9.223 -2.429 3.090 1.00 0.00 O ATOM 105 CB GLU A 50 -9.975 -1.921 6.384 1.00 0.00 C ATOM 106 CG GLU A 50 -9.682 -0.539 6.954 1.00 0.00 C ATOM 107 CD GLU A 50 -9.998 -0.441 8.433 1.00 0.00 C ATOM 108 OE1 GLU A 50 -9.597 -1.352 9.188 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.645 0.548 8.838 1.00 0.00 O ATOM 0 H GLU A 50 -7.591 -1.835 6.997 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.020 -3.523 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.914 -1.885 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.116 -2.621 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.631 -0.299 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.265 0.205 6.411 1.00 0.00 H new ATOM 116 N GLU A 51 -8.735 -0.465 4.068 1.00 0.00 N ATOM 117 CA GLU A 51 -8.785 0.274 2.816 1.00 0.00 C ATOM 118 C GLU A 51 -7.769 -0.305 1.847 1.00 0.00 C ATOM 119 O GLU A 51 -8.022 -0.410 0.647 1.00 0.00 O ATOM 120 CB GLU A 51 -8.502 1.758 3.055 1.00 0.00 C ATOM 121 CG GLU A 51 -9.086 2.669 1.987 1.00 0.00 C ATOM 122 CD GLU A 51 -10.464 3.186 2.351 1.00 0.00 C ATOM 123 OE1 GLU A 51 -11.255 2.411 2.929 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.752 4.365 2.058 1.00 0.00 O ATOM 0 H GLU A 51 -8.517 0.100 4.888 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.784 0.183 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.906 2.045 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.424 1.911 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.415 3.514 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.143 2.126 1.043 1.00 0.00 H new ATOM 131 N LEU A 52 -6.624 -0.700 2.389 1.00 0.00 N ATOM 132 CA LEU A 52 -5.569 -1.296 1.589 1.00 0.00 C ATOM 133 C LEU A 52 -6.066 -2.578 0.933 1.00 0.00 C ATOM 134 O LEU A 52 -5.987 -2.732 -0.286 1.00 0.00 O ATOM 135 CB LEU A 52 -4.344 -1.575 2.454 1.00 0.00 C ATOM 136 CG LEU A 52 -3.821 -0.359 3.220 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.790 -0.779 4.258 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.232 0.663 2.257 1.00 0.00 C ATOM 0 H LEU A 52 -6.405 -0.617 3.382 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.284 -0.595 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.590 -2.361 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.546 -1.960 1.819 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.658 0.104 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.431 0.101 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.247 -1.471 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.952 -1.269 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.864 1.522 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.408 0.210 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.001 0.989 1.557 1.00 0.00 H new ATOM 150 N LYS A 53 -6.600 -3.492 1.746 1.00 0.00 N ATOM 151 CA LYS A 53 -7.129 -4.748 1.226 1.00 0.00 C ATOM 152 C LYS A 53 -8.161 -4.472 0.143 1.00 0.00 C ATOM 153 O LYS A 53 -8.123 -5.064 -0.935 1.00 0.00 O ATOM 154 CB LYS A 53 -7.759 -5.580 2.343 1.00 0.00 C ATOM 155 CG LYS A 53 -7.975 -7.036 1.962 1.00 0.00 C ATOM 156 CD LYS A 53 -8.096 -7.920 3.190 1.00 0.00 C ATOM 157 CE LYS A 53 -7.507 -9.298 2.949 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.461 -10.194 2.237 1.00 0.00 N ATOM 0 H LYS A 53 -6.676 -3.385 2.758 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.301 -5.315 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.120 -5.534 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.716 -5.138 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.878 -7.125 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.144 -7.379 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.586 -7.448 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.146 -8.016 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.592 -9.204 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.231 -9.747 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.021 -11.125 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.324 -10.304 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.705 -9.779 1.315 1.00 0.00 H new ATOM 172 N THR A 54 -9.073 -3.548 0.437 1.00 0.00 N ATOM 173 CA THR A 54 -10.106 -3.168 -0.517 1.00 0.00 C ATOM 174 C THR A 54 -9.456 -2.694 -1.806 1.00 0.00 C ATOM 175 O THR A 54 -9.854 -3.083 -2.904 1.00 0.00 O ATOM 176 CB THR A 54 -10.996 -2.067 0.063 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.204 -2.269 1.449 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.355 -1.983 -0.599 1.00 0.00 C ATOM 0 H THR A 54 -9.116 -3.051 1.327 1.00 0.00 H new ATOM 0 HA THR A 54 -10.731 -4.036 -0.726 1.00 0.00 H new ATOM 0 HB THR A 54 -10.462 -1.136 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.430 -1.934 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.934 -1.182 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.230 -1.777 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.881 -2.930 -0.472 1.00 0.00 H new ATOM 186 N HIS A 55 -8.428 -1.867 -1.651 1.00 0.00 N ATOM 187 CA HIS A 55 -7.684 -1.349 -2.785 1.00 0.00 C ATOM 188 C HIS A 55 -7.064 -2.501 -3.566 1.00 0.00 C ATOM 189 O HIS A 55 -7.232 -2.607 -4.781 1.00 0.00 O ATOM 190 CB HIS A 55 -6.593 -0.391 -2.302 1.00 0.00 C ATOM 191 CG HIS A 55 -7.128 0.861 -1.680 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.336 1.422 -2.036 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.610 1.665 -0.721 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.538 2.517 -1.324 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.506 2.686 -0.518 1.00 0.00 N ATOM 0 H HIS A 55 -8.092 -1.542 -0.744 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.364 -0.804 -3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.963 -0.907 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.956 -0.124 -3.145 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.974 1.050 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.668 1.529 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.401 3.164 -1.390 1.00 0.00 H new ATOM 204 N ILE A 56 -6.355 -3.369 -2.849 1.00 0.00 N ATOM 205 CA ILE A 56 -5.716 -4.529 -3.460 1.00 0.00 C ATOM 206 C ILE A 56 -6.739 -5.397 -4.190 1.00 0.00 C ATOM 207 O ILE A 56 -6.486 -5.882 -5.292 1.00 0.00 O ATOM 208 CB ILE A 56 -4.973 -5.385 -2.412 1.00 0.00 C ATOM 209 CG1 ILE A 56 -3.976 -4.525 -1.633 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.260 -6.550 -3.084 1.00 0.00 C ATOM 211 CD1 ILE A 56 -3.774 -4.980 -0.203 1.00 0.00 C ATOM 0 H ILE A 56 -6.209 -3.290 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.990 -4.149 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.705 -5.788 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.016 -4.538 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.323 -3.492 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.741 -7.143 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.990 -7.175 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.538 -6.167 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.055 -4.325 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.724 -4.940 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.397 -6.003 -0.196 1.00 0.00 H new ATOM 223 N SER A 57 -7.894 -5.592 -3.558 1.00 0.00 N ATOM 224 CA SER A 57 -8.963 -6.406 -4.133 1.00 0.00 C ATOM 225 C SER A 57 -9.318 -5.952 -5.548 1.00 0.00 C ATOM 226 O SER A 57 -8.951 -6.601 -6.528 1.00 0.00 O ATOM 227 CB SER A 57 -10.206 -6.352 -3.240 1.00 0.00 C ATOM 228 OG SER A 57 -10.578 -7.648 -2.805 1.00 0.00 O ATOM 0 H SER A 57 -8.114 -5.196 -2.644 1.00 0.00 H new ATOM 0 HA SER A 57 -8.602 -7.433 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.009 -5.717 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.032 -5.898 -3.788 1.00 0.00 H new ATOM 0 HG SER A 57 -11.373 -7.586 -2.235 1.00 0.00 H new ATOM 234 N LYS A 58 -10.044 -4.842 -5.646 1.00 0.00 N ATOM 235 CA LYS A 58 -10.461 -4.312 -6.940 1.00 0.00 C ATOM 236 C LYS A 58 -9.258 -3.956 -7.809 1.00 0.00 C ATOM 237 O LYS A 58 -9.169 -4.381 -8.961 1.00 0.00 O ATOM 238 CB LYS A 58 -11.355 -3.085 -6.751 1.00 0.00 C ATOM 239 CG LYS A 58 -10.716 -1.981 -5.925 1.00 0.00 C ATOM 240 CD LYS A 58 -11.723 -0.900 -5.565 1.00 0.00 C ATOM 241 CE LYS A 58 -11.289 -0.116 -4.336 1.00 0.00 C ATOM 242 NZ LYS A 58 -11.166 1.340 -4.621 1.00 0.00 N ATOM 0 H LYS A 58 -10.356 -4.292 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.028 -5.090 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.620 -2.686 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.283 -3.394 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.294 -2.405 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.890 -1.539 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.843 -0.219 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.696 -1.355 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.011 -0.269 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.332 -0.498 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.868 1.839 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.458 1.489 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.085 1.711 -4.936 1.00 0.00 H new ATOM 256 N GLY A 59 -8.333 -3.177 -7.256 1.00 0.00 N ATOM 257 CA GLY A 59 -7.152 -2.786 -8.006 1.00 0.00 C ATOM 258 C GLY A 59 -6.976 -1.282 -8.083 1.00 0.00 C ATOM 259 O GLY A 59 -6.810 -0.725 -9.169 1.00 0.00 O ATOM 0 H GLY A 59 -8.379 -2.810 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.270 -3.227 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.218 -3.192 -9.016 1.00 0.00 H new ATOM 263 N THR A 60 -7.007 -0.623 -6.930 1.00 0.00 N ATOM 264 CA THR A 60 -6.845 0.827 -6.870 1.00 0.00 C ATOM 265 C THR A 60 -5.694 1.214 -5.942 1.00 0.00 C ATOM 266 O THR A 60 -5.351 2.391 -5.829 1.00 0.00 O ATOM 267 CB THR A 60 -8.142 1.491 -6.401 1.00 0.00 C ATOM 268 OG1 THR A 60 -9.216 0.568 -6.420 1.00 0.00 O ATOM 269 CG2 THR A 60 -8.545 2.678 -7.249 1.00 0.00 C ATOM 0 H THR A 60 -7.143 -1.069 -6.023 1.00 0.00 H new ATOM 0 HA THR A 60 -6.609 1.179 -7.874 1.00 0.00 H new ATOM 0 HB THR A 60 -7.938 1.838 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.840 0.807 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.472 3.103 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.759 3.432 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.695 2.355 -8.279 1.00 0.00 H new ATOM 277 N LEU A 61 -5.093 0.223 -5.286 1.00 0.00 N ATOM 278 CA LEU A 61 -3.977 0.477 -4.384 1.00 0.00 C ATOM 279 C LEU A 61 -2.818 1.126 -5.135 1.00 0.00 C ATOM 280 O LEU A 61 -1.958 1.769 -4.534 1.00 0.00 O ATOM 281 CB LEU A 61 -3.520 -0.826 -3.724 1.00 0.00 C ATOM 282 CG LEU A 61 -2.268 -0.709 -2.853 1.00 0.00 C ATOM 283 CD1 LEU A 61 -2.527 0.212 -1.671 1.00 0.00 C ATOM 284 CD2 LEU A 61 -1.823 -2.084 -2.374 1.00 0.00 C ATOM 0 H LEU A 61 -5.360 -0.758 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.311 1.164 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.335 -1.210 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.333 -1.564 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.467 -0.279 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.626 0.284 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.799 1.203 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.341 -0.190 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.931 -1.983 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.621 -2.541 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.598 -2.714 -3.235 1.00 0.00 H new ATOM 296 N GLY A 62 -2.809 0.960 -6.456 1.00 0.00 N ATOM 297 CA GLY A 62 -1.760 1.542 -7.270 1.00 0.00 C ATOM 298 C GLY A 62 -2.140 2.908 -7.805 1.00 0.00 C ATOM 299 O GLY A 62 -1.590 3.362 -8.809 1.00 0.00 O ATOM 0 H GLY A 62 -3.511 0.432 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.848 1.626 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.538 0.876 -8.104 1.00 0.00 H new ATOM 303 N LYS A 63 -3.077 3.568 -7.132 1.00 0.00 N ATOM 304 CA LYS A 63 -3.520 4.889 -7.544 1.00 0.00 C ATOM 305 C LYS A 63 -2.693 5.959 -6.845 1.00 0.00 C ATOM 306 O LYS A 63 -2.053 6.789 -7.491 1.00 0.00 O ATOM 307 CB LYS A 63 -5.004 5.081 -7.221 1.00 0.00 C ATOM 308 CG LYS A 63 -5.933 4.551 -8.302 1.00 0.00 C ATOM 309 CD LYS A 63 -7.109 5.487 -8.540 1.00 0.00 C ATOM 310 CE LYS A 63 -7.306 5.770 -10.021 1.00 0.00 C ATOM 311 NZ LYS A 63 -6.042 6.206 -10.677 1.00 0.00 N ATOM 0 H LYS A 63 -3.542 3.207 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.383 4.980 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.231 4.580 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.201 6.143 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.376 4.423 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.303 3.567 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.016 5.044 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.943 6.424 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.681 4.874 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.065 6.543 -10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.259 6.897 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.417 6.644 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.566 5.382 -11.096 1.00 0.00 H new ATOM 325 N PHE A 64 -2.707 5.924 -5.515 1.00 0.00 N ATOM 326 CA PHE A 64 -1.955 6.880 -4.711 1.00 0.00 C ATOM 327 C PHE A 64 -0.505 6.978 -5.180 1.00 0.00 C ATOM 328 O PHE A 64 0.018 6.056 -5.807 1.00 0.00 O ATOM 329 CB PHE A 64 -1.998 6.481 -3.235 1.00 0.00 C ATOM 330 CG PHE A 64 -3.385 6.192 -2.734 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.386 7.145 -2.838 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.687 4.968 -2.159 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.662 6.882 -2.378 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.961 4.700 -1.697 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.950 5.658 -1.807 1.00 0.00 C ATOM 0 H PHE A 64 -3.233 5.241 -4.971 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.420 7.858 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.375 5.599 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.564 7.282 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.166 8.104 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.918 4.215 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.433 7.633 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.184 3.742 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.947 5.450 -1.447 1.00 0.00 H new ATOM 345 N THR A 65 0.137 8.098 -4.870 1.00 0.00 N ATOM 346 CA THR A 65 1.526 8.316 -5.255 1.00 0.00 C ATOM 347 C THR A 65 2.470 7.479 -4.397 1.00 0.00 C ATOM 348 O THR A 65 2.037 6.600 -3.652 1.00 0.00 O ATOM 349 CB THR A 65 1.884 9.799 -5.129 1.00 0.00 C ATOM 350 OG1 THR A 65 1.933 10.190 -3.769 1.00 0.00 O ATOM 351 CG2 THR A 65 0.904 10.712 -5.835 1.00 0.00 C ATOM 0 H THR A 65 -0.283 8.870 -4.352 1.00 0.00 H new ATOM 0 HA THR A 65 1.641 8.007 -6.294 1.00 0.00 H new ATOM 0 HB THR A 65 2.860 9.902 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.030 10.409 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.215 11.749 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.880 10.469 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.090 10.577 -5.410 1.00 0.00 H new ATOM 359 N VAL A 66 3.761 7.762 -4.513 1.00 0.00 N ATOM 360 CA VAL A 66 4.779 7.046 -3.759 1.00 0.00 C ATOM 361 C VAL A 66 4.826 7.516 -2.301 1.00 0.00 C ATOM 362 O VAL A 66 4.686 6.706 -1.385 1.00 0.00 O ATOM 363 CB VAL A 66 6.167 7.224 -4.408 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.266 6.644 -3.528 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.192 6.584 -5.789 1.00 0.00 C ATOM 0 H VAL A 66 4.129 8.488 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 66 4.512 5.989 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 66 6.355 8.292 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.232 6.785 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.266 7.152 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.087 5.579 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.178 6.718 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.975 5.519 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.441 7.056 -6.422 1.00 0.00 H new ATOM 375 N PRO A 67 5.022 8.828 -2.056 1.00 0.00 N ATOM 376 CA PRO A 67 5.080 9.367 -0.694 1.00 0.00 C ATOM 377 C PRO A 67 3.870 8.953 0.137 1.00 0.00 C ATOM 378 O PRO A 67 3.961 8.809 1.356 1.00 0.00 O ATOM 379 CB PRO A 67 5.106 10.890 -0.891 1.00 0.00 C ATOM 380 CG PRO A 67 4.766 11.118 -2.327 1.00 0.00 C ATOM 381 CD PRO A 67 5.201 9.884 -3.062 1.00 0.00 C ATOM 0 HA PRO A 67 5.947 8.993 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.387 11.382 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.088 11.299 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.697 11.288 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.276 12.001 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.593 9.706 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.237 9.955 -3.395 1.00 0.00 H new ATOM 389 N MET A 68 2.740 8.751 -0.533 1.00 0.00 N ATOM 390 CA MET A 68 1.516 8.339 0.143 1.00 0.00 C ATOM 391 C MET A 68 1.549 6.841 0.425 1.00 0.00 C ATOM 392 O MET A 68 1.160 6.390 1.502 1.00 0.00 O ATOM 393 CB MET A 68 0.292 8.690 -0.707 1.00 0.00 C ATOM 394 CG MET A 68 -0.343 10.021 -0.336 1.00 0.00 C ATOM 395 SD MET A 68 -0.528 11.127 -1.750 1.00 0.00 S ATOM 396 CE MET A 68 -1.826 10.297 -2.663 1.00 0.00 C ATOM 0 H MET A 68 2.647 8.866 -1.542 1.00 0.00 H new ATOM 0 HA MET A 68 1.446 8.874 1.090 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.584 8.716 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.452 7.900 -0.602 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.322 9.840 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.266 10.510 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.556 10.250 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.954 9.286 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.759 10.849 -2.552 1.00 0.00 H new ATOM 406 N LEU A 69 2.029 6.079 -0.551 1.00 0.00 N ATOM 407 CA LEU A 69 2.134 4.632 -0.417 1.00 0.00 C ATOM 408 C LEU A 69 3.068 4.268 0.732 1.00 0.00 C ATOM 409 O LEU A 69 2.853 3.278 1.432 1.00 0.00 O ATOM 410 CB LEU A 69 2.635 4.023 -1.725 1.00 0.00 C ATOM 411 CG LEU A 69 1.569 3.859 -2.809 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.215 3.665 -4.172 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.653 2.689 -2.480 1.00 0.00 C ATOM 0 H LEU A 69 2.353 6.442 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 69 1.146 4.228 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.437 4.649 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.068 3.046 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 69 0.969 4.769 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.439 3.550 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.829 4.533 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.840 2.772 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.100 2.586 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.241 1.773 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.162 2.869 -1.524 1.00 0.00 H new ATOM 425 N LYS A 70 4.103 5.081 0.924 1.00 0.00 N ATOM 426 CA LYS A 70 5.072 4.856 1.993 1.00 0.00 C ATOM 427 C LYS A 70 4.376 4.711 3.344 1.00 0.00 C ATOM 428 O LYS A 70 4.780 3.901 4.177 1.00 0.00 O ATOM 429 CB LYS A 70 6.079 6.007 2.047 1.00 0.00 C ATOM 430 CG LYS A 70 7.020 6.048 0.854 1.00 0.00 C ATOM 431 CD LYS A 70 8.189 5.093 1.034 1.00 0.00 C ATOM 432 CE LYS A 70 9.457 5.637 0.395 1.00 0.00 C ATOM 433 NZ LYS A 70 10.220 4.576 -0.318 1.00 0.00 N ATOM 0 H LYS A 70 4.293 5.904 0.352 1.00 0.00 H new ATOM 0 HA LYS A 70 5.600 3.927 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.537 6.951 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.667 5.922 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.472 5.788 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.395 7.063 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.360 4.922 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.943 4.128 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.198 6.431 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.088 6.083 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.237 4.699 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.918 3.642 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.039 4.645 -1.340 1.00 0.00 H new ATOM 447 N GLU A 71 3.329 5.505 3.553 1.00 0.00 N ATOM 448 CA GLU A 71 2.577 5.469 4.804 1.00 0.00 C ATOM 449 C GLU A 71 2.086 4.057 5.105 1.00 0.00 C ATOM 450 O GLU A 71 2.276 3.546 6.209 1.00 0.00 O ATOM 451 CB GLU A 71 1.389 6.431 4.737 1.00 0.00 C ATOM 452 CG GLU A 71 1.743 7.861 5.116 1.00 0.00 C ATOM 453 CD GLU A 71 1.230 8.244 6.490 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.085 8.735 6.581 1.00 0.00 O ATOM 455 OE2 GLU A 71 1.972 8.053 7.476 1.00 0.00 O ATOM 0 H GLU A 71 2.982 6.181 2.872 1.00 0.00 H new ATOM 0 HA GLU A 71 3.244 5.781 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.981 6.422 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.603 6.072 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.826 7.982 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.328 8.543 4.374 1.00 0.00 H new ATOM 462 N ALA A 72 1.460 3.429 4.115 1.00 0.00 N ATOM 463 CA ALA A 72 0.949 2.073 4.274 1.00 0.00 C ATOM 464 C ALA A 72 2.068 1.118 4.674 1.00 0.00 C ATOM 465 O ALA A 72 1.931 0.348 5.624 1.00 0.00 O ATOM 466 CB ALA A 72 0.287 1.607 2.988 1.00 0.00 C ATOM 0 H ALA A 72 1.295 3.837 3.195 1.00 0.00 H new ATOM 0 HA ALA A 72 0.204 2.076 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.090 0.593 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.540 2.273 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.016 1.620 2.178 1.00 0.00 H new ATOM 472 N CYS A 73 3.179 1.182 3.947 1.00 0.00 N ATOM 473 CA CYS A 73 4.327 0.330 4.231 1.00 0.00 C ATOM 474 C CYS A 73 4.838 0.580 5.646 1.00 0.00 C ATOM 475 O CYS A 73 5.206 -0.354 6.358 1.00 0.00 O ATOM 476 CB CYS A 73 5.443 0.585 3.216 1.00 0.00 C ATOM 477 SG CYS A 73 5.481 -0.599 1.850 1.00 0.00 S ATOM 0 H CYS A 73 3.308 1.815 3.157 1.00 0.00 H new ATOM 0 HA CYS A 73 4.012 -0.711 4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.327 1.590 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.403 0.559 3.732 1.00 0.00 H new ATOM 0 HG CYS A 73 5.746 0.026 0.741 1.00 0.00 H new ATOM 483 N ARG A 74 4.850 1.847 6.047 1.00 0.00 N ATOM 484 CA ARG A 74 5.307 2.224 7.378 1.00 0.00 C ATOM 485 C ARG A 74 4.436 1.571 8.446 1.00 0.00 C ATOM 486 O ARG A 74 4.927 1.160 9.497 1.00 0.00 O ATOM 487 CB ARG A 74 5.279 3.745 7.539 1.00 0.00 C ATOM 488 CG ARG A 74 6.134 4.252 8.689 1.00 0.00 C ATOM 489 CD ARG A 74 5.314 4.447 9.956 1.00 0.00 C ATOM 490 NE ARG A 74 5.193 5.858 10.318 1.00 0.00 N ATOM 491 CZ ARG A 74 4.183 6.642 9.944 1.00 0.00 C ATOM 492 NH1 ARG A 74 3.198 6.164 9.193 1.00 0.00 N ATOM 493 NH2 ARG A 74 4.159 7.913 10.322 1.00 0.00 N ATOM 0 H ARG A 74 4.548 2.630 5.468 1.00 0.00 H new ATOM 0 HA ARG A 74 6.332 1.875 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.621 4.206 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.249 4.067 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.940 3.545 8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.599 5.197 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.320 4.023 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.779 3.901 10.777 1.00 0.00 H new ATOM 0 HE ARG A 74 5.928 6.268 10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.210 5.188 8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.429 6.773 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.913 8.288 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.387 8.515 10.037 1.00 0.00 H new ATOM 507 N ALA A 75 3.141 1.475 8.163 1.00 0.00 N ATOM 508 CA ALA A 75 2.199 0.865 9.092 1.00 0.00 C ATOM 509 C ALA A 75 2.275 -0.655 9.017 1.00 0.00 C ATOM 510 O ALA A 75 2.039 -1.350 10.004 1.00 0.00 O ATOM 511 CB ALA A 75 0.784 1.342 8.799 1.00 0.00 C ATOM 0 H ALA A 75 2.721 1.812 7.297 1.00 0.00 H new ATOM 0 HA ALA A 75 2.467 1.170 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.091 0.878 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.736 2.426 8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.510 1.064 7.781 1.00 0.00 H new ATOM 517 N TYR A 76 2.612 -1.163 7.835 1.00 0.00 N ATOM 518 CA TYR A 76 2.727 -2.602 7.624 1.00 0.00 C ATOM 519 C TYR A 76 4.113 -3.115 8.017 1.00 0.00 C ATOM 520 O TYR A 76 4.428 -4.287 7.813 1.00 0.00 O ATOM 521 CB TYR A 76 2.446 -2.943 6.159 1.00 0.00 C ATOM 522 CG TYR A 76 0.990 -3.235 5.869 1.00 0.00 C ATOM 523 CD1 TYR A 76 -0.022 -2.524 6.501 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.630 -4.223 4.962 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.352 -2.792 6.237 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.698 -4.496 4.693 1.00 0.00 C ATOM 527 CZ TYR A 76 -1.684 -3.778 5.333 1.00 0.00 C ATOM 528 OH TYR A 76 -3.007 -4.047 5.069 1.00 0.00 O ATOM 0 H TYR A 76 2.810 -0.599 7.009 1.00 0.00 H new ATOM 0 HA TYR A 76 1.990 -3.092 8.260 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.772 -2.112 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.044 -3.809 5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.234 -1.750 7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.401 -4.788 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.128 -2.231 6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.961 -5.268 3.985 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.084 -4.931 4.653 1.00 0.00 H new ATOM 538 N GLY A 77 4.940 -2.235 8.578 1.00 0.00 N ATOM 539 CA GLY A 77 6.276 -2.629 8.982 1.00 0.00 C ATOM 540 C GLY A 77 7.143 -3.048 7.809 1.00 0.00 C ATOM 541 O GLY A 77 8.181 -3.683 7.993 1.00 0.00 O ATOM 0 H GLY A 77 4.707 -1.258 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.753 -1.799 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.208 -3.454 9.691 1.00 0.00 H new ATOM 545 N LEU A 78 6.717 -2.694 6.600 1.00 0.00 N ATOM 546 CA LEU A 78 7.464 -3.039 5.396 1.00 0.00 C ATOM 547 C LEU A 78 8.613 -2.062 5.171 1.00 0.00 C ATOM 548 O LEU A 78 8.797 -1.116 5.937 1.00 0.00 O ATOM 549 CB LEU A 78 6.534 -3.043 4.180 1.00 0.00 C ATOM 550 CG LEU A 78 6.009 -4.420 3.769 1.00 0.00 C ATOM 551 CD1 LEU A 78 7.145 -5.292 3.255 1.00 0.00 C ATOM 552 CD2 LEU A 78 5.303 -5.093 4.937 1.00 0.00 C ATOM 0 H LEU A 78 5.859 -2.169 6.429 1.00 0.00 H new ATOM 0 HA LEU A 78 7.882 -4.037 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.683 -2.395 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.065 -2.607 3.334 1.00 0.00 H new ATOM 0 HG LEU A 78 5.287 -4.287 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.753 -6.268 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.606 -4.816 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.891 -5.418 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.936 -6.071 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.003 -5.214 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.464 -4.477 5.259 1.00 0.00 H new ATOM 564 N LYS A 79 9.381 -2.296 4.112 1.00 0.00 N ATOM 565 CA LYS A 79 10.511 -1.435 3.783 1.00 0.00 C ATOM 566 C LYS A 79 10.117 -0.409 2.726 1.00 0.00 C ATOM 567 O LYS A 79 10.631 0.710 2.711 1.00 0.00 O ATOM 568 CB LYS A 79 11.689 -2.273 3.284 1.00 0.00 C ATOM 569 CG LYS A 79 11.319 -3.240 2.171 1.00 0.00 C ATOM 570 CD LYS A 79 12.223 -3.072 0.959 1.00 0.00 C ATOM 571 CE LYS A 79 11.453 -3.252 -0.339 1.00 0.00 C ATOM 572 NZ LYS A 79 12.265 -3.950 -1.374 1.00 0.00 N ATOM 0 H LYS A 79 9.242 -3.074 3.467 1.00 0.00 H new ATOM 0 HA LYS A 79 10.811 -0.905 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.474 -1.606 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.104 -2.836 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.390 -4.264 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.282 -3.078 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.679 -2.082 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.035 -3.798 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.544 -3.821 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.144 -2.277 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.704 -4.053 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.120 -3.394 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.538 -4.891 -1.025 1.00 0.00 H new ATOM 586 N SER A 80 9.200 -0.798 1.845 1.00 0.00 N ATOM 587 CA SER A 80 8.732 0.086 0.782 1.00 0.00 C ATOM 588 C SER A 80 9.854 0.397 -0.203 1.00 0.00 C ATOM 589 O SER A 80 11.019 0.089 0.049 1.00 0.00 O ATOM 590 CB SER A 80 8.173 1.384 1.372 1.00 0.00 C ATOM 591 OG SER A 80 9.193 2.354 1.540 1.00 0.00 O ATOM 0 H SER A 80 8.766 -1.721 1.846 1.00 0.00 H new ATOM 0 HA SER A 80 7.936 -0.428 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.397 1.779 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.703 1.176 2.334 1.00 0.00 H new ATOM 0 HG SER A 80 9.862 2.019 2.172 1.00 0.00 H new ATOM 597 N GLY A 81 9.495 1.009 -1.327 1.00 0.00 N ATOM 598 CA GLY A 81 10.483 1.352 -2.333 1.00 0.00 C ATOM 599 C GLY A 81 10.092 2.575 -3.139 1.00 0.00 C ATOM 600 O GLY A 81 8.907 2.852 -3.324 1.00 0.00 O ATOM 0 H GLY A 81 8.538 1.273 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.443 1.532 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.620 0.506 -3.006 1.00 0.00 H new ATOM 604 N LEU A 82 11.091 3.307 -3.621 1.00 0.00 N ATOM 605 CA LEU A 82 10.847 4.507 -4.413 1.00 0.00 C ATOM 606 C LEU A 82 10.527 4.147 -5.860 1.00 0.00 C ATOM 607 O LEU A 82 11.303 4.438 -6.771 1.00 0.00 O ATOM 608 CB LEU A 82 12.063 5.435 -4.360 1.00 0.00 C ATOM 609 CG LEU A 82 12.240 6.197 -3.046 1.00 0.00 C ATOM 610 CD1 LEU A 82 12.990 5.347 -2.032 1.00 0.00 C ATOM 611 CD2 LEU A 82 12.969 7.511 -3.287 1.00 0.00 C ATOM 0 H LEU A 82 12.077 3.090 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 82 9.987 5.025 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.960 4.844 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.986 6.157 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 82 11.253 6.420 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.106 5.906 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.429 4.433 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.973 5.092 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.087 8.041 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.951 7.309 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.392 8.126 -3.978 1.00 0.00 H new ATOM 623 N LYS A 83 9.383 3.503 -6.064 1.00 0.00 N ATOM 624 CA LYS A 83 8.964 3.093 -7.400 1.00 0.00 C ATOM 625 C LYS A 83 7.446 2.926 -7.497 1.00 0.00 C ATOM 626 O LYS A 83 6.935 2.437 -8.504 1.00 0.00 O ATOM 627 CB LYS A 83 9.642 1.779 -7.769 1.00 0.00 C ATOM 628 CG LYS A 83 10.004 1.670 -9.242 1.00 0.00 C ATOM 629 CD LYS A 83 11.492 1.428 -9.438 1.00 0.00 C ATOM 630 CE LYS A 83 12.275 2.731 -9.426 1.00 0.00 C ATOM 631 NZ LYS A 83 13.625 2.563 -8.819 1.00 0.00 N ATOM 0 H LYS A 83 8.729 3.254 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 83 9.260 3.879 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.547 1.668 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.982 0.953 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.440 0.856 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.713 2.585 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.862 0.773 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.656 0.912 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.379 3.101 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.718 3.484 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.126 3.474 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.526 2.234 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.167 1.863 -9.365 1.00 0.00 H new ATOM 645 N LYS A 84 6.731 3.330 -6.451 1.00 0.00 N ATOM 646 CA LYS A 84 5.275 3.221 -6.425 1.00 0.00 C ATOM 647 C LYS A 84 4.835 1.759 -6.420 1.00 0.00 C ATOM 648 O LYS A 84 4.436 1.226 -5.385 1.00 0.00 O ATOM 649 CB LYS A 84 4.659 3.954 -7.621 1.00 0.00 C ATOM 650 CG LYS A 84 3.138 3.944 -7.622 1.00 0.00 C ATOM 651 CD LYS A 84 2.584 3.154 -8.798 1.00 0.00 C ATOM 652 CE LYS A 84 2.702 3.933 -10.099 1.00 0.00 C ATOM 653 NZ LYS A 84 3.805 3.417 -10.956 1.00 0.00 N ATOM 0 H LYS A 84 7.137 3.737 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 84 4.921 3.688 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.007 4.987 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.018 3.495 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.776 3.511 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.767 4.968 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.121 2.210 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.538 2.910 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.760 3.874 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.876 4.986 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.617 3.662 -11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.705 3.845 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.864 2.383 -10.860 1.00 0.00 H new ATOM 667 N GLN A 85 4.911 1.116 -7.582 1.00 0.00 N ATOM 668 CA GLN A 85 4.521 -0.286 -7.713 1.00 0.00 C ATOM 669 C GLN A 85 5.136 -1.139 -6.607 1.00 0.00 C ATOM 670 O GLN A 85 4.529 -2.105 -6.144 1.00 0.00 O ATOM 671 CB GLN A 85 4.943 -0.825 -9.080 1.00 0.00 C ATOM 672 CG GLN A 85 4.071 -1.965 -9.580 1.00 0.00 C ATOM 673 CD GLN A 85 4.110 -2.110 -11.089 1.00 0.00 C ATOM 674 OE1 GLN A 85 3.637 -1.241 -11.820 1.00 0.00 O ATOM 675 NE2 GLN A 85 4.676 -3.215 -11.563 1.00 0.00 N ATOM 0 H GLN A 85 5.239 1.544 -8.448 1.00 0.00 H new ATOM 0 HA GLN A 85 3.436 -0.341 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.916 -0.012 -9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.976 -1.167 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.399 -2.897 -9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.042 -1.797 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.056 -3.910 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.731 -3.368 -12.570 1.00 0.00 H new ATOM 684 N GLU A 86 6.345 -0.779 -6.189 1.00 0.00 N ATOM 685 CA GLU A 86 7.039 -1.516 -5.138 1.00 0.00 C ATOM 686 C GLU A 86 6.231 -1.512 -3.846 1.00 0.00 C ATOM 687 O GLU A 86 6.114 -2.536 -3.174 1.00 0.00 O ATOM 688 CB GLU A 86 8.426 -0.919 -4.892 1.00 0.00 C ATOM 689 CG GLU A 86 9.348 -1.828 -4.098 1.00 0.00 C ATOM 690 CD GLU A 86 9.659 -3.122 -4.825 1.00 0.00 C ATOM 691 OE1 GLU A 86 9.518 -3.153 -6.066 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.043 -4.103 -4.154 1.00 0.00 O ATOM 0 H GLU A 86 6.864 0.017 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 86 7.153 -2.548 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.891 -0.693 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.316 0.027 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.279 -1.301 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.887 -2.057 -3.137 1.00 0.00 H new ATOM 699 N LEU A 87 5.664 -0.358 -3.508 1.00 0.00 N ATOM 700 CA LEU A 87 4.856 -0.238 -2.301 1.00 0.00 C ATOM 701 C LEU A 87 3.662 -1.174 -2.389 1.00 0.00 C ATOM 702 O LEU A 87 3.338 -1.880 -1.434 1.00 0.00 O ATOM 703 CB LEU A 87 4.392 1.212 -2.116 1.00 0.00 C ATOM 704 CG LEU A 87 5.523 2.240 -1.990 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.538 3.173 -3.190 1.00 0.00 C ATOM 706 CD2 LEU A 87 5.390 3.035 -0.699 1.00 0.00 C ATOM 0 H LEU A 87 5.749 0.502 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 87 5.459 -0.517 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.763 1.488 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.769 1.268 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 87 6.469 1.699 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.348 3.894 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.690 2.593 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.587 3.702 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.203 3.758 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.435 3.561 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.436 2.356 0.153 1.00 0.00 H new ATOM 718 N LEU A 88 3.025 -1.196 -3.556 1.00 0.00 N ATOM 719 CA LEU A 88 1.884 -2.071 -3.785 1.00 0.00 C ATOM 720 C LEU A 88 2.231 -3.502 -3.399 1.00 0.00 C ATOM 721 O LEU A 88 1.532 -4.132 -2.607 1.00 0.00 O ATOM 722 CB LEU A 88 1.455 -2.026 -5.252 1.00 0.00 C ATOM 723 CG LEU A 88 0.566 -0.842 -5.638 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.412 0.371 -6.004 1.00 0.00 C ATOM 725 CD2 LEU A 88 -0.356 -1.222 -6.791 1.00 0.00 C ATOM 0 H LEU A 88 3.281 -0.618 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 88 1.058 -1.721 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.350 -2.005 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.925 -2.949 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.049 -0.580 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.760 1.201 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.027 0.657 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.055 0.124 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.982 -0.369 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.242 -1.512 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.989 -2.057 -6.491 1.00 0.00 H new ATOM 737 N GLU A 89 3.325 -4.008 -3.966 1.00 0.00 N ATOM 738 CA GLU A 89 3.775 -5.365 -3.683 1.00 0.00 C ATOM 739 C GLU A 89 3.848 -5.613 -2.183 1.00 0.00 C ATOM 740 O GLU A 89 3.261 -6.568 -1.676 1.00 0.00 O ATOM 741 CB GLU A 89 5.138 -5.621 -4.327 1.00 0.00 C ATOM 742 CG GLU A 89 5.049 -6.173 -5.740 1.00 0.00 C ATOM 743 CD GLU A 89 6.208 -7.087 -6.083 1.00 0.00 C ATOM 744 OE1 GLU A 89 7.364 -6.614 -6.063 1.00 0.00 O ATOM 745 OE2 GLU A 89 5.960 -8.276 -6.373 1.00 0.00 O ATOM 0 H GLU A 89 3.914 -3.497 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 89 3.049 -6.057 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.703 -4.689 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.698 -6.321 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.113 -6.721 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.022 -5.345 -6.448 1.00 0.00 H new ATOM 752 N ALA A 90 4.559 -4.743 -1.470 1.00 0.00 N ATOM 753 CA ALA A 90 4.684 -4.879 -0.026 1.00 0.00 C ATOM 754 C ALA A 90 3.307 -5.008 0.609 1.00 0.00 C ATOM 755 O ALA A 90 3.084 -5.853 1.476 1.00 0.00 O ATOM 756 CB ALA A 90 5.440 -3.695 0.559 1.00 0.00 C ATOM 0 H ALA A 90 5.053 -3.943 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 90 5.252 -5.783 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.523 -3.814 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.437 -3.648 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.902 -2.774 0.336 1.00 0.00 H new ATOM 762 N LEU A 91 2.382 -4.172 0.153 1.00 0.00 N ATOM 763 CA LEU A 91 1.017 -4.197 0.656 1.00 0.00 C ATOM 764 C LEU A 91 0.333 -5.496 0.268 1.00 0.00 C ATOM 765 O LEU A 91 -0.123 -6.255 1.123 1.00 0.00 O ATOM 766 CB LEU A 91 0.224 -3.022 0.090 1.00 0.00 C ATOM 767 CG LEU A 91 0.348 -1.716 0.880 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.790 -0.578 -0.029 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.972 -1.378 1.559 1.00 0.00 C ATOM 0 H LEU A 91 2.554 -3.468 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 91 1.053 -4.120 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.551 -2.842 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.828 -3.302 0.044 1.00 0.00 H new ATOM 0 HG LEU A 91 1.107 -1.851 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.872 0.341 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.759 -0.818 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.056 -0.441 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.867 -0.447 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.750 -1.263 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.245 -2.181 2.243 1.00 0.00 H new ATOM 781 N THR A 92 0.269 -5.742 -1.034 1.00 0.00 N ATOM 782 CA THR A 92 -0.353 -6.945 -1.555 1.00 0.00 C ATOM 783 C THR A 92 0.194 -8.179 -0.842 1.00 0.00 C ATOM 784 O THR A 92 -0.559 -8.949 -0.249 1.00 0.00 O ATOM 785 CB THR A 92 -0.114 -7.029 -3.065 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.035 -6.208 -3.761 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.234 -8.426 -3.630 1.00 0.00 C ATOM 0 H THR A 92 0.643 -5.119 -1.749 1.00 0.00 H new ATOM 0 HA THR A 92 -1.427 -6.906 -1.373 1.00 0.00 H new ATOM 0 HB THR A 92 0.913 -6.693 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.867 -6.272 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.051 -8.401 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.499 -9.076 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.237 -8.810 -3.442 1.00 0.00 H new ATOM 795 N LYS A 93 1.510 -8.353 -0.898 1.00 0.00 N ATOM 796 CA LYS A 93 2.161 -9.485 -0.247 1.00 0.00 C ATOM 797 C LYS A 93 1.703 -9.629 1.203 1.00 0.00 C ATOM 798 O LYS A 93 1.644 -10.737 1.736 1.00 0.00 O ATOM 799 CB LYS A 93 3.682 -9.328 -0.303 1.00 0.00 C ATOM 800 CG LYS A 93 4.414 -10.613 -0.659 1.00 0.00 C ATOM 801 CD LYS A 93 5.349 -10.415 -1.844 1.00 0.00 C ATOM 802 CE LYS A 93 6.689 -11.099 -1.622 1.00 0.00 C ATOM 803 NZ LYS A 93 6.860 -12.284 -2.507 1.00 0.00 N ATOM 0 H LYS A 93 2.147 -7.725 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 93 1.875 -10.389 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.933 -8.562 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.038 -8.973 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.986 -10.958 0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.689 -11.393 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.883 -10.812 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.507 -9.349 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.495 -10.388 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.770 -11.409 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.785 -12.722 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.106 -12.974 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.808 -11.985 -3.502 1.00 0.00 H new ATOM 817 N HIS A 94 1.391 -8.502 1.842 1.00 0.00 N ATOM 818 CA HIS A 94 0.955 -8.515 3.234 1.00 0.00 C ATOM 819 C HIS A 94 -0.548 -8.765 3.360 1.00 0.00 C ATOM 820 O HIS A 94 -1.081 -8.803 4.469 1.00 0.00 O ATOM 821 CB HIS A 94 1.323 -7.197 3.916 1.00 0.00 C ATOM 822 CG HIS A 94 1.471 -7.313 5.402 1.00 0.00 C ATOM 823 ND1 HIS A 94 0.795 -8.250 6.155 1.00 0.00 N ATOM 824 CD2 HIS A 94 2.224 -6.604 6.276 1.00 0.00 C ATOM 825 CE1 HIS A 94 1.125 -8.112 7.427 1.00 0.00 C ATOM 826 NE2 HIS A 94 1.991 -7.121 7.526 1.00 0.00 N ATOM 0 H HIS A 94 1.432 -7.575 1.419 1.00 0.00 H new ATOM 0 HA HIS A 94 1.471 -9.338 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.257 -6.827 3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.556 -6.455 3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.142 -8.942 5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.885 -5.785 6.035 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.750 -8.708 8.246 1.00 0.00 H new ATOM 835 N PHE A 95 -1.231 -8.941 2.231 1.00 0.00 N ATOM 836 CA PHE A 95 -2.669 -9.192 2.255 1.00 0.00 C ATOM 837 C PHE A 95 -3.087 -10.099 1.098 1.00 0.00 C ATOM 838 O PHE A 95 -4.260 -10.140 0.725 1.00 0.00 O ATOM 839 CB PHE A 95 -3.444 -7.869 2.191 1.00 0.00 C ATOM 840 CG PHE A 95 -4.318 -7.612 3.392 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.841 -8.658 4.142 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.608 -6.313 3.774 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.632 -8.409 5.247 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.397 -6.060 4.879 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.909 -7.108 5.617 1.00 0.00 C ATOM 0 H PHE A 95 -0.818 -8.915 1.299 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.906 -9.698 3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.734 -7.048 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.065 -7.866 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.627 -9.678 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.212 -5.488 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.033 -9.231 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.613 -5.042 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.525 -6.911 6.482 1.00 0.00 H new ATOM 855 N GLN A 96 -2.124 -10.826 0.532 1.00 0.00 N ATOM 856 CA GLN A 96 -2.403 -11.727 -0.579 1.00 0.00 C ATOM 857 C GLN A 96 -3.164 -12.961 -0.102 1.00 0.00 C ATOM 858 O GLN A 96 -2.572 -14.013 0.137 1.00 0.00 O ATOM 859 CB GLN A 96 -1.100 -12.149 -1.261 1.00 0.00 C ATOM 860 CG GLN A 96 -0.040 -12.644 -0.291 1.00 0.00 C ATOM 861 CD GLN A 96 0.845 -13.719 -0.894 1.00 0.00 C ATOM 862 OE1 GLN A 96 0.567 -14.911 -0.766 1.00 0.00 O ATOM 863 NE2 GLN A 96 1.917 -13.300 -1.555 1.00 0.00 N ATOM 0 H GLN A 96 -1.147 -10.807 0.826 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.025 -11.194 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.316 -12.936 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.702 -11.303 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.579 -11.804 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.525 -13.037 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.108 -12.301 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.550 -13.977 -1.982 1.00 0.00 H new ATOM 872 N ASP A 97 -4.479 -12.823 0.033 1.00 0.00 N ATOM 873 CA ASP A 97 -5.320 -13.927 0.481 1.00 0.00 C ATOM 874 C ASP A 97 -6.773 -13.703 0.076 1.00 0.00 C ATOM 875 O ASP A 97 -7.664 -14.301 0.717 1.00 0.00 O ATOM 876 CB ASP A 97 -5.220 -14.089 1.999 1.00 0.00 C ATOM 877 CG ASP A 97 -5.604 -12.825 2.742 1.00 0.00 C ATOM 878 OD1 ASP A 97 -5.586 -11.742 2.121 1.00 0.00 O ATOM 879 OD2 ASP A 97 -5.924 -12.918 3.946 1.00 0.00 O ATOM 880 OXT ASP A 97 -7.009 -12.932 -0.877 1.00 0.00 O ATOM 0 H ASP A 97 -4.985 -11.959 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.965 -14.839 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.868 -14.906 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.201 -14.368 2.265 1.00 0.00 H new TER 885 ASP A 97