USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 337 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 17 THR OG1 : rot -150:sc= 0.00685 USER MOD Set 1.2: A 33 ASN : amide:sc= -3.77! C(o=-3.8!,f=-7.5!) USER MOD Single : A 1 LEU N :NH3+ -129:sc= 0.157 (180deg=0) USER MOD Single : A 5 SER OG : rot 58:sc= 0.587 USER MOD Single : A 9 SER OG : rot 93:sc= 0.022 USER MOD Single : A 11 TYR OH : rot 147:sc= -1.81! USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.024) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.433 K(o=-0.43,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 110:sc= -0.0595 USER MOD Single : A 31 TYR OH : rot 158:sc= -0.184 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 47 THR OG1 : rot -107:sc= 0.937 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.215 K(o=0.22,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00312) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.865 8.413 1.802 1.00 0.00 N ATOM 2 CA LEU A 1 -13.830 7.498 1.218 1.00 0.00 C ATOM 3 C LEU A 1 -13.425 6.059 1.546 1.00 0.00 C ATOM 4 O LEU A 1 -12.423 5.831 2.222 1.00 0.00 O ATOM 5 CB LEU A 1 -13.984 7.765 -0.281 1.00 0.00 C ATOM 6 CG LEU A 1 -14.825 8.986 -0.661 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.632 9.348 -2.134 1.00 0.00 C ATOM 8 CD2 LEU A 1 -16.299 8.767 -0.313 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.365 9.139 2.354 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.221 7.886 2.426 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.317 8.869 1.045 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.817 7.660 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.990 7.884 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.429 6.884 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 1 -14.478 9.835 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.241 10.219 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.582 9.576 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.935 8.507 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -16.874 9.650 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -16.676 7.901 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.398 8.595 0.759 1.00 0.00 H new ATOM 19 N ALA A 2 -14.225 5.125 1.052 1.00 0.00 N ATOM 20 CA ALA A 2 -13.962 3.715 1.284 1.00 0.00 C ATOM 21 C ALA A 2 -14.040 3.427 2.784 1.00 0.00 C ATOM 22 O ALA A 2 -14.133 4.349 3.594 1.00 0.00 O ATOM 23 CB ALA A 2 -12.603 3.344 0.690 1.00 0.00 C ATOM 0 H ALA A 2 -15.056 5.317 0.492 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.713 3.098 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.406 2.286 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.609 3.540 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.824 3.941 1.164 1.00 0.00 H new ATOM 29 N ALA A 3 -14.001 2.143 3.111 1.00 0.00 N ATOM 30 CA ALA A 3 -14.065 1.722 4.500 1.00 0.00 C ATOM 31 C ALA A 3 -12.886 0.796 4.804 1.00 0.00 C ATOM 32 O ALA A 3 -13.081 -0.360 5.176 1.00 0.00 O ATOM 33 CB ALA A 3 -15.416 1.055 4.769 1.00 0.00 C ATOM 0 H ALA A 3 -13.926 1.381 2.437 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.987 2.582 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.465 0.739 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.219 1.764 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.528 0.186 4.121 1.00 0.00 H new ATOM 39 N VAL A 4 -11.690 1.338 4.633 1.00 0.00 N ATOM 40 CA VAL A 4 -10.480 0.574 4.884 1.00 0.00 C ATOM 41 C VAL A 4 -9.361 1.526 5.312 1.00 0.00 C ATOM 42 O VAL A 4 -9.550 2.742 5.336 1.00 0.00 O ATOM 43 CB VAL A 4 -10.119 -0.256 3.651 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.522 0.626 2.552 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.168 -1.396 4.016 1.00 0.00 C ATOM 0 H VAL A 4 -11.533 2.297 4.324 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.637 -0.132 5.699 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.037 -0.698 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.274 0.011 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.247 1.386 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.619 1.110 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.928 -1.970 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.252 -0.984 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.645 -2.048 4.748 1.00 0.00 H new ATOM 55 N SER A 5 -8.220 0.938 5.640 1.00 0.00 N ATOM 56 CA SER A 5 -7.070 1.719 6.064 1.00 0.00 C ATOM 57 C SER A 5 -5.886 0.794 6.351 1.00 0.00 C ATOM 58 O SER A 5 -5.888 0.066 7.342 1.00 0.00 O ATOM 59 CB SER A 5 -7.400 2.556 7.301 1.00 0.00 C ATOM 60 OG SER A 5 -7.637 3.922 6.974 1.00 0.00 O ATOM 0 H SER A 5 -8.067 -0.070 5.621 1.00 0.00 H new ATOM 0 HA SER A 5 -6.803 2.401 5.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.280 2.143 7.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.577 2.491 8.013 1.00 0.00 H new ATOM 0 HG SER A 5 -8.369 3.981 6.325 1.00 0.00 H new ATOM 65 N VAL A 6 -4.903 0.851 5.464 1.00 0.00 N ATOM 66 CA VAL A 6 -3.715 0.028 5.608 1.00 0.00 C ATOM 67 C VAL A 6 -2.636 0.821 6.346 1.00 0.00 C ATOM 68 O VAL A 6 -1.958 1.657 5.750 1.00 0.00 O ATOM 69 CB VAL A 6 -3.256 -0.474 4.238 1.00 0.00 C ATOM 70 CG1 VAL A 6 -4.309 -1.388 3.608 1.00 0.00 C ATOM 71 CG2 VAL A 6 -2.919 0.695 3.311 1.00 0.00 C ATOM 0 H VAL A 6 -4.906 1.455 4.642 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.934 -0.856 6.206 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.348 -1.059 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.958 -1.731 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.479 -2.248 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.241 -0.837 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.595 0.311 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.802 1.319 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.119 1.290 3.751 1.00 0.00 H new ATOM 81 N ASP A 7 -2.510 0.533 7.634 1.00 0.00 N ATOM 82 CA ASP A 7 -1.524 1.210 8.459 1.00 0.00 C ATOM 83 C ASP A 7 -0.120 0.808 8.003 1.00 0.00 C ATOM 84 O ASP A 7 0.152 -0.372 7.783 1.00 0.00 O ATOM 85 CB ASP A 7 -1.674 0.816 9.931 1.00 0.00 C ATOM 86 CG ASP A 7 -1.273 1.900 10.933 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.205 2.518 10.813 1.00 0.00 O ATOM 88 OD2 ASP A 7 -2.121 2.103 11.884 1.00 0.00 O ATOM 0 H ASP A 7 -3.074 -0.160 8.126 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.678 2.284 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.712 0.539 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.070 -0.072 10.118 1.00 0.00 H new ATOM 93 N CYS A 8 0.736 1.811 7.875 1.00 0.00 N ATOM 94 CA CYS A 8 2.105 1.577 7.448 1.00 0.00 C ATOM 95 C CYS A 8 3.043 2.106 8.535 1.00 0.00 C ATOM 96 O CYS A 8 4.240 2.266 8.303 1.00 0.00 O ATOM 97 CB CYS A 8 2.391 2.214 6.088 1.00 0.00 C ATOM 98 SG CYS A 8 1.291 1.660 4.733 1.00 0.00 S ATOM 0 H CYS A 8 0.508 2.788 8.060 1.00 0.00 H new ATOM 0 HA CYS A 8 2.270 0.508 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.308 3.296 6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.423 1.997 5.811 1.00 0.00 H new ATOM 102 N SER A 9 2.465 2.362 9.699 1.00 0.00 N ATOM 103 CA SER A 9 3.234 2.870 10.822 1.00 0.00 C ATOM 104 C SER A 9 4.013 1.730 11.480 1.00 0.00 C ATOM 105 O SER A 9 3.926 1.532 12.691 1.00 0.00 O ATOM 106 CB SER A 9 2.327 3.554 11.847 1.00 0.00 C ATOM 107 OG SER A 9 1.757 4.756 11.337 1.00 0.00 O ATOM 0 H SER A 9 1.472 2.227 9.889 1.00 0.00 H new ATOM 0 HA SER A 9 3.937 3.614 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.530 2.870 12.139 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.901 3.778 12.746 1.00 0.00 H new ATOM 0 HG SER A 9 0.880 4.562 10.945 1.00 0.00 H new ATOM 112 N GLU A 10 4.756 1.008 10.653 1.00 0.00 N ATOM 113 CA GLU A 10 5.550 -0.107 11.140 1.00 0.00 C ATOM 114 C GLU A 10 6.565 -0.539 10.080 1.00 0.00 C ATOM 115 O GLU A 10 6.954 -1.705 10.027 1.00 0.00 O ATOM 116 CB GLU A 10 4.655 -1.278 11.553 1.00 0.00 C ATOM 117 CG GLU A 10 3.357 -1.287 10.743 1.00 0.00 C ATOM 118 CD GLU A 10 3.644 -1.430 9.247 1.00 0.00 C ATOM 119 OE1 GLU A 10 3.800 -0.420 8.546 1.00 0.00 O ATOM 120 OE2 GLU A 10 3.705 -2.645 8.818 1.00 0.00 O ATOM 0 H GLU A 10 4.825 1.174 9.649 1.00 0.00 H new ATOM 0 HA GLU A 10 6.096 0.220 12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.187 -2.217 11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.424 -1.207 12.616 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.723 -2.109 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.805 -0.365 10.924 1.00 0.00 H new ATOM 126 N TYR A 11 6.964 0.423 9.262 1.00 0.00 N ATOM 127 CA TYR A 11 7.926 0.157 8.206 1.00 0.00 C ATOM 128 C TYR A 11 9.245 0.886 8.469 1.00 0.00 C ATOM 129 O TYR A 11 9.289 1.835 9.251 1.00 0.00 O ATOM 130 CB TYR A 11 7.303 0.703 6.920 1.00 0.00 C ATOM 131 CG TYR A 11 6.947 -0.374 5.893 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.840 -1.174 6.089 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.735 -0.547 4.775 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.505 -2.188 5.123 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.401 -1.561 3.808 1.00 0.00 C ATOM 136 CZ TYR A 11 6.301 -2.332 4.030 1.00 0.00 C ATOM 137 OH TYR A 11 5.986 -3.290 3.118 1.00 0.00 O ATOM 0 H TYR A 11 6.639 1.389 9.309 1.00 0.00 H new ATOM 0 HA TYR A 11 8.143 -0.909 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.401 1.260 7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.997 1.410 6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.225 -1.040 6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.603 0.078 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.641 -2.820 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.009 -1.706 2.927 1.00 0.00 H new ATOM 0 HH TYR A 11 6.241 -2.985 2.222 1.00 0.00 H new ATOM 146 N PRO A 12 10.315 0.404 7.783 1.00 0.00 N ATOM 147 CA PRO A 12 10.177 -0.724 6.877 1.00 0.00 C ATOM 148 C PRO A 12 10.037 -2.036 7.651 1.00 0.00 C ATOM 149 O PRO A 12 10.599 -2.184 8.735 1.00 0.00 O ATOM 150 CB PRO A 12 11.419 -0.679 6.002 1.00 0.00 C ATOM 151 CG PRO A 12 12.425 0.182 6.749 1.00 0.00 C ATOM 152 CD PRO A 12 11.681 0.916 7.853 1.00 0.00 C ATOM 0 HA PRO A 12 9.275 -0.667 6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.813 -1.681 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.192 -0.255 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.219 -0.436 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.898 0.892 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.127 0.722 8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.708 1.995 7.699 1.00 0.00 H new ATOM 157 N LYS A 13 9.284 -2.954 7.064 1.00 0.00 N ATOM 158 CA LYS A 13 9.064 -4.250 7.685 1.00 0.00 C ATOM 159 C LYS A 13 10.109 -5.242 7.171 1.00 0.00 C ATOM 160 O LYS A 13 10.526 -5.167 6.015 1.00 0.00 O ATOM 161 CB LYS A 13 7.621 -4.709 7.467 1.00 0.00 C ATOM 162 CG LYS A 13 6.756 -4.398 8.691 1.00 0.00 C ATOM 163 CD LYS A 13 5.619 -5.413 8.831 1.00 0.00 C ATOM 164 CE LYS A 13 4.633 -5.295 7.668 1.00 0.00 C ATOM 165 NZ LYS A 13 4.834 -6.398 6.702 1.00 0.00 N ATOM 0 H LYS A 13 8.818 -2.827 6.165 1.00 0.00 H new ATOM 0 HA LYS A 13 9.194 -4.182 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.207 -4.214 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.603 -5.780 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.373 -4.411 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.343 -3.393 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.030 -6.422 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.096 -5.251 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.611 -5.317 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.766 -4.336 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.083 -6.371 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.759 -6.290 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.801 -7.309 7.203 1.00 0.00 H new ATOM 175 N ASP A 14 10.503 -6.148 8.053 1.00 0.00 N ATOM 176 CA ASP A 14 11.491 -7.154 7.703 1.00 0.00 C ATOM 177 C ASP A 14 10.783 -8.371 7.105 1.00 0.00 C ATOM 178 O ASP A 14 11.053 -9.506 7.498 1.00 0.00 O ATOM 179 CB ASP A 14 12.266 -7.617 8.938 1.00 0.00 C ATOM 180 CG ASP A 14 11.399 -8.052 10.122 1.00 0.00 C ATOM 181 OD1 ASP A 14 10.890 -7.215 10.881 1.00 0.00 O ATOM 182 OD2 ASP A 14 11.252 -9.326 10.250 1.00 0.00 O ATOM 0 H ASP A 14 10.156 -6.207 9.010 1.00 0.00 H new ATOM 0 HA ASP A 14 12.184 -6.712 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.909 -8.450 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.918 -6.807 9.263 1.00 0.00 H new ATOM 187 N ALA A 15 9.893 -8.095 6.164 1.00 0.00 N ATOM 188 CA ALA A 15 9.145 -9.154 5.507 1.00 0.00 C ATOM 189 C ALA A 15 8.125 -8.535 4.550 1.00 0.00 C ATOM 190 O ALA A 15 7.965 -7.315 4.512 1.00 0.00 O ATOM 191 CB ALA A 15 8.486 -10.045 6.563 1.00 0.00 C ATOM 0 H ALA A 15 9.673 -7.153 5.840 1.00 0.00 H new ATOM 0 HA ALA A 15 9.811 -9.784 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.925 -10.839 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.254 -10.484 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.809 -9.447 7.173 1.00 0.00 H new ATOM 197 N CYS A 16 7.464 -9.402 3.798 1.00 0.00 N ATOM 198 CA CYS A 16 6.465 -8.955 2.842 1.00 0.00 C ATOM 199 C CYS A 16 5.300 -9.947 2.864 1.00 0.00 C ATOM 200 O CYS A 16 5.401 -11.014 3.469 1.00 0.00 O ATOM 201 CB CYS A 16 7.055 -8.798 1.439 1.00 0.00 C ATOM 202 SG CYS A 16 6.064 -7.763 0.301 1.00 0.00 S ATOM 0 H CYS A 16 7.601 -10.412 3.831 1.00 0.00 H new ATOM 0 HA CYS A 16 6.104 -7.966 3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.052 -8.366 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.174 -9.787 0.997 1.00 0.00 H new ATOM 206 N THR A 17 4.223 -9.561 2.197 1.00 0.00 N ATOM 207 CA THR A 17 3.041 -10.404 2.132 1.00 0.00 C ATOM 208 C THR A 17 3.066 -11.262 0.867 1.00 0.00 C ATOM 209 O THR A 17 3.559 -10.825 -0.174 1.00 0.00 O ATOM 210 CB THR A 17 1.810 -9.500 2.231 1.00 0.00 C ATOM 211 OG1 THR A 17 1.907 -8.658 1.085 1.00 0.00 O ATOM 212 CG2 THR A 17 1.886 -8.532 3.412 1.00 0.00 C ATOM 0 H THR A 17 4.144 -8.676 1.697 1.00 0.00 H new ATOM 0 HA THR A 17 3.012 -11.109 2.963 1.00 0.00 H new ATOM 0 HB THR A 17 0.915 -10.115 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.495 -7.791 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.988 -7.915 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.962 -9.097 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.762 -7.893 3.303 1.00 0.00 H new ATOM 220 N LEU A 18 2.529 -12.466 0.995 1.00 0.00 N ATOM 221 CA LEU A 18 2.484 -13.389 -0.127 1.00 0.00 C ATOM 222 C LEU A 18 1.202 -13.149 -0.928 1.00 0.00 C ATOM 223 O LEU A 18 1.142 -13.460 -2.116 1.00 0.00 O ATOM 224 CB LEU A 18 2.644 -14.831 0.359 1.00 0.00 C ATOM 225 CG LEU A 18 1.412 -15.460 1.012 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.506 -16.108 -0.036 1.00 0.00 C ATOM 227 CD2 LEU A 18 1.817 -16.447 2.110 1.00 0.00 C ATOM 0 H LEU A 18 2.121 -12.824 1.859 1.00 0.00 H new ATOM 0 HA LEU A 18 3.321 -13.209 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.936 -15.449 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.466 -14.863 1.074 1.00 0.00 H new ATOM 0 HG LEU A 18 0.836 -14.667 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.362 -16.547 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.176 -15.352 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.058 -16.887 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.923 -16.880 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.427 -17.241 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.390 -15.924 2.876 1.00 0.00 H new ATOM 238 N GLU A 19 0.210 -12.598 -0.244 1.00 0.00 N ATOM 239 CA GLU A 19 -1.067 -12.314 -0.877 1.00 0.00 C ATOM 240 C GLU A 19 -0.877 -11.331 -2.035 1.00 0.00 C ATOM 241 O GLU A 19 0.093 -10.575 -2.060 1.00 0.00 O ATOM 242 CB GLU A 19 -2.075 -11.775 0.140 1.00 0.00 C ATOM 243 CG GLU A 19 -3.057 -12.866 0.570 1.00 0.00 C ATOM 244 CD GLU A 19 -2.415 -13.814 1.584 1.00 0.00 C ATOM 245 OE1 GLU A 19 -1.188 -13.790 1.764 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.239 -14.594 2.198 1.00 0.00 O ATOM 0 H GLU A 19 0.265 -12.341 0.742 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.468 -13.245 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.547 -11.392 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.623 -10.938 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.945 -12.409 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.385 -13.430 -0.303 1.00 0.00 H new ATOM 252 N TYR A 20 -1.820 -11.374 -2.965 1.00 0.00 N ATOM 253 CA TYR A 20 -1.769 -10.498 -4.123 1.00 0.00 C ATOM 254 C TYR A 20 -2.941 -9.514 -4.118 1.00 0.00 C ATOM 255 O TYR A 20 -4.078 -9.896 -4.388 1.00 0.00 O ATOM 256 CB TYR A 20 -1.888 -11.408 -5.347 1.00 0.00 C ATOM 257 CG TYR A 20 -1.124 -10.907 -6.573 1.00 0.00 C ATOM 258 CD1 TYR A 20 -1.145 -9.566 -6.899 1.00 0.00 C ATOM 259 CD2 TYR A 20 -0.410 -11.794 -7.353 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.426 -9.092 -8.053 1.00 0.00 C ATOM 261 CE2 TYR A 20 0.309 -11.321 -8.507 1.00 0.00 C ATOM 262 CZ TYR A 20 0.266 -9.994 -8.800 1.00 0.00 C ATOM 263 OH TYR A 20 0.946 -9.548 -9.890 1.00 0.00 O ATOM 0 H TYR A 20 -2.624 -12.002 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.847 -9.916 -4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.523 -12.401 -5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.941 -11.514 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.702 -8.871 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.391 -12.843 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.436 -8.045 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.870 -12.005 -9.126 1.00 0.00 H new ATOM 0 HH TYR A 20 1.394 -10.302 -10.327 1.00 0.00 H new ATOM 272 N ARG A 21 -2.623 -8.267 -3.807 1.00 0.00 N ATOM 273 CA ARG A 21 -3.636 -7.225 -3.763 1.00 0.00 C ATOM 274 C ARG A 21 -3.098 -5.936 -4.388 1.00 0.00 C ATOM 275 O ARG A 21 -2.408 -5.162 -3.726 1.00 0.00 O ATOM 276 CB ARG A 21 -4.073 -6.942 -2.325 1.00 0.00 C ATOM 277 CG ARG A 21 -5.098 -7.974 -1.851 1.00 0.00 C ATOM 278 CD ARG A 21 -6.435 -7.791 -2.572 1.00 0.00 C ATOM 279 NE ARG A 21 -6.502 -8.690 -3.747 1.00 0.00 N ATOM 280 CZ ARG A 21 -7.621 -8.931 -4.444 1.00 0.00 C ATOM 281 NH1 ARG A 21 -8.772 -8.343 -4.089 1.00 0.00 N ATOM 282 NH2 ARG A 21 -7.589 -9.761 -5.496 1.00 0.00 N ATOM 0 H ARG A 21 -1.679 -7.954 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.498 -7.576 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.204 -6.958 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.502 -5.942 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.718 -8.979 -2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.245 -7.878 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.258 -8.007 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.548 -6.754 -2.890 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.644 -9.154 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.796 -7.712 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.623 -8.527 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.713 -10.209 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.440 -9.945 -6.027 1.00 0.00 H new ATOM 293 N PRO A 22 -3.445 -5.739 -5.689 1.00 0.00 N ATOM 294 CA PRO A 22 -3.005 -4.557 -6.410 1.00 0.00 C ATOM 295 C PRO A 22 -3.799 -3.324 -5.976 1.00 0.00 C ATOM 296 O PRO A 22 -4.910 -3.098 -6.452 1.00 0.00 O ATOM 297 CB PRO A 22 -3.194 -4.900 -7.878 1.00 0.00 C ATOM 298 CG PRO A 22 -4.161 -6.072 -7.912 1.00 0.00 C ATOM 299 CD PRO A 22 -4.261 -6.634 -6.503 1.00 0.00 C ATOM 0 HA PRO A 22 -1.965 -4.301 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.593 -4.049 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.244 -5.164 -8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.140 -5.749 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.810 -6.837 -8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.294 -6.653 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.891 -7.658 -6.458 1.00 0.00 H new ATOM 304 N LEU A 23 -3.197 -2.558 -5.079 1.00 0.00 N ATOM 305 CA LEU A 23 -3.834 -1.352 -4.576 1.00 0.00 C ATOM 306 C LEU A 23 -3.246 -0.133 -5.290 1.00 0.00 C ATOM 307 O LEU A 23 -2.115 -0.177 -5.771 1.00 0.00 O ATOM 308 CB LEU A 23 -3.723 -1.284 -3.051 1.00 0.00 C ATOM 309 CG LEU A 23 -2.309 -1.387 -2.476 1.00 0.00 C ATOM 310 CD1 LEU A 23 -2.117 -0.412 -1.313 1.00 0.00 C ATOM 311 CD2 LEU A 23 -1.983 -2.828 -2.077 1.00 0.00 C ATOM 0 H LEU A 23 -2.275 -2.748 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.902 -1.366 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.162 -0.344 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.326 -2.087 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.602 -1.101 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.104 -0.506 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.278 0.608 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.832 -0.642 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.972 -2.873 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.693 -3.166 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.051 -3.473 -2.953 1.00 0.00 H new ATOM 322 N CYS A 24 -4.042 0.925 -5.338 1.00 0.00 N ATOM 323 CA CYS A 24 -3.614 2.153 -5.986 1.00 0.00 C ATOM 324 C CYS A 24 -3.467 3.235 -4.915 1.00 0.00 C ATOM 325 O CYS A 24 -4.393 3.479 -4.143 1.00 0.00 O ATOM 326 CB CYS A 24 -4.581 2.575 -7.094 1.00 0.00 C ATOM 327 SG CYS A 24 -4.385 4.301 -7.669 1.00 0.00 S ATOM 0 H CYS A 24 -4.980 0.957 -4.939 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.653 1.993 -6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.450 1.907 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.602 2.440 -6.737 1.00 0.00 H new ATOM 331 N GLY A 25 -2.297 3.855 -4.902 1.00 0.00 N ATOM 332 CA GLY A 25 -2.017 4.906 -3.938 1.00 0.00 C ATOM 333 C GLY A 25 -2.560 6.252 -4.420 1.00 0.00 C ATOM 334 O GLY A 25 -3.141 6.339 -5.501 1.00 0.00 O ATOM 0 H GLY A 25 -1.531 3.650 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.465 4.652 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.941 4.980 -3.778 1.00 0.00 H new ATOM 338 N SER A 26 -2.354 7.269 -3.596 1.00 0.00 N ATOM 339 CA SER A 26 -2.816 8.606 -3.925 1.00 0.00 C ATOM 340 C SER A 26 -1.948 9.202 -5.035 1.00 0.00 C ATOM 341 O SER A 26 -2.377 10.112 -5.743 1.00 0.00 O ATOM 342 CB SER A 26 -2.799 9.513 -2.693 1.00 0.00 C ATOM 343 OG SER A 26 -2.791 10.894 -3.047 1.00 0.00 O ATOM 0 H SER A 26 -1.873 7.193 -2.700 1.00 0.00 H new ATOM 0 HA SER A 26 -3.845 8.535 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.672 9.302 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.920 9.288 -2.089 1.00 0.00 H new ATOM 0 HG SER A 26 -2.782 11.440 -2.233 1.00 0.00 H new ATOM 348 N ASP A 27 -0.742 8.664 -5.152 1.00 0.00 N ATOM 349 CA ASP A 27 0.190 9.131 -6.164 1.00 0.00 C ATOM 350 C ASP A 27 -0.009 8.322 -7.447 1.00 0.00 C ATOM 351 O ASP A 27 0.850 8.326 -8.327 1.00 0.00 O ATOM 352 CB ASP A 27 1.639 8.943 -5.707 1.00 0.00 C ATOM 353 CG ASP A 27 2.000 7.521 -5.272 1.00 0.00 C ATOM 354 OD1 ASP A 27 1.242 6.865 -4.543 1.00 0.00 O ATOM 355 OD2 ASP A 27 3.129 7.086 -5.719 1.00 0.00 O ATOM 0 H ASP A 27 -0.390 7.910 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.000 10.191 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.302 9.237 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.833 9.621 -4.876 1.00 0.00 H new ATOM 360 N ASN A 28 -1.149 7.650 -7.514 1.00 0.00 N ATOM 361 CA ASN A 28 -1.472 6.839 -8.675 1.00 0.00 C ATOM 362 C ASN A 28 -0.403 5.758 -8.851 1.00 0.00 C ATOM 363 O ASN A 28 0.027 5.482 -9.970 1.00 0.00 O ATOM 364 CB ASN A 28 -1.501 7.686 -9.949 1.00 0.00 C ATOM 365 CG ASN A 28 -2.175 6.930 -11.095 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.327 6.536 -11.022 1.00 0.00 O ATOM 367 ND2 ASN A 28 -1.394 6.749 -12.157 1.00 0.00 N ATOM 0 H ASN A 28 -1.860 7.651 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.455 6.397 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.035 8.617 -9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.484 7.955 -10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.751 6.255 -12.975 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.438 7.104 -12.153 1.00 0.00 H new ATOM 373 N LYS A 29 -0.006 5.177 -7.729 1.00 0.00 N ATOM 374 CA LYS A 29 1.006 4.133 -7.745 1.00 0.00 C ATOM 375 C LYS A 29 0.356 2.795 -7.386 1.00 0.00 C ATOM 376 O LYS A 29 -0.195 2.640 -6.297 1.00 0.00 O ATOM 377 CB LYS A 29 2.179 4.509 -6.838 1.00 0.00 C ATOM 378 CG LYS A 29 3.402 4.911 -7.663 1.00 0.00 C ATOM 379 CD LYS A 29 4.123 3.679 -8.212 1.00 0.00 C ATOM 380 CE LYS A 29 4.459 3.854 -9.695 1.00 0.00 C ATOM 381 NZ LYS A 29 5.921 3.981 -9.884 1.00 0.00 N ATOM 0 H LYS A 29 -0.366 5.409 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 29 1.428 4.026 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.889 5.333 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.431 3.666 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.093 5.554 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.087 5.492 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.039 3.507 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.496 2.797 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.086 3.001 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.958 4.740 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.131 4.099 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.268 4.809 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.393 3.124 -9.530 1.00 0.00 H new ATOM 391 N THR A 30 0.442 1.862 -8.323 1.00 0.00 N ATOM 392 CA THR A 30 -0.131 0.541 -8.119 1.00 0.00 C ATOM 393 C THR A 30 0.883 -0.381 -7.440 1.00 0.00 C ATOM 394 O THR A 30 1.967 -0.617 -7.971 1.00 0.00 O ATOM 395 CB THR A 30 -0.613 0.020 -9.475 1.00 0.00 C ATOM 396 OG1 THR A 30 -1.667 0.909 -9.834 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.295 -1.345 -9.369 1.00 0.00 C ATOM 0 H THR A 30 0.899 1.994 -9.225 1.00 0.00 H new ATOM 0 HA THR A 30 -0.988 0.581 -7.447 1.00 0.00 H new ATOM 0 HB THR A 30 0.233 -0.050 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.381 1.469 -10.585 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.618 -1.668 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.593 -2.072 -8.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.161 -1.269 -8.712 1.00 0.00 H new ATOM 405 N TYR A 31 0.495 -0.877 -6.273 1.00 0.00 N ATOM 406 CA TYR A 31 1.357 -1.768 -5.515 1.00 0.00 C ATOM 407 C TYR A 31 0.767 -3.178 -5.452 1.00 0.00 C ATOM 408 O TYR A 31 -0.418 -3.347 -5.170 1.00 0.00 O ATOM 409 CB TYR A 31 1.420 -1.190 -4.100 1.00 0.00 C ATOM 410 CG TYR A 31 1.873 0.271 -4.044 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.211 0.583 -4.174 1.00 0.00 C ATOM 412 CD2 TYR A 31 0.944 1.274 -3.862 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.637 1.957 -4.121 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.370 2.649 -3.809 1.00 0.00 C ATOM 415 CZ TYR A 31 2.696 2.922 -3.941 1.00 0.00 C ATOM 416 OH TYR A 31 3.099 4.221 -3.891 1.00 0.00 O ATOM 0 H TYR A 31 -0.404 -0.678 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 31 2.340 -1.841 -5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.435 -1.272 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.102 -1.794 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.938 -0.203 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.103 1.029 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.681 2.216 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.653 3.445 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 31 2.346 4.806 -4.116 1.00 0.00 H new ATOM 425 N GLY A 32 1.622 -4.154 -5.719 1.00 0.00 N ATOM 426 CA GLY A 32 1.200 -5.545 -5.696 1.00 0.00 C ATOM 427 C GLY A 32 0.462 -5.872 -4.397 1.00 0.00 C ATOM 428 O GLY A 32 -0.576 -6.533 -4.417 1.00 0.00 O ATOM 0 H GLY A 32 2.604 -4.010 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.550 -5.746 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.070 -6.194 -5.798 1.00 0.00 H new ATOM 432 N ASN A 33 1.025 -5.395 -3.296 1.00 0.00 N ATOM 433 CA ASN A 33 0.432 -5.628 -1.991 1.00 0.00 C ATOM 434 C ASN A 33 0.655 -4.399 -1.107 1.00 0.00 C ATOM 435 O ASN A 33 1.244 -3.413 -1.546 1.00 0.00 O ATOM 436 CB ASN A 33 1.080 -6.830 -1.299 1.00 0.00 C ATOM 437 CG ASN A 33 1.358 -7.954 -2.300 1.00 0.00 C ATOM 438 OD1 ASN A 33 0.566 -8.247 -3.180 1.00 0.00 O ATOM 439 ND2 ASN A 33 2.527 -8.562 -2.118 1.00 0.00 N ATOM 0 H ASN A 33 1.886 -4.848 -3.282 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.631 -5.822 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.012 -6.522 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.425 -7.196 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.807 -9.324 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.143 -8.266 -1.361 1.00 0.00 H new ATOM 445 N LYS A 34 0.172 -4.499 0.123 1.00 0.00 N ATOM 446 CA LYS A 34 0.310 -3.407 1.072 1.00 0.00 C ATOM 447 C LYS A 34 1.781 -3.265 1.468 1.00 0.00 C ATOM 448 O LYS A 34 2.176 -2.260 2.058 1.00 0.00 O ATOM 449 CB LYS A 34 -0.630 -3.608 2.260 1.00 0.00 C ATOM 450 CG LYS A 34 0.068 -3.260 3.578 1.00 0.00 C ATOM 451 CD LYS A 34 -0.832 -3.572 4.774 1.00 0.00 C ATOM 452 CE LYS A 34 -0.008 -4.057 5.969 1.00 0.00 C ATOM 453 NZ LYS A 34 -0.894 -4.601 7.022 1.00 0.00 N ATOM 0 H LYS A 34 -0.315 -5.319 0.484 1.00 0.00 H new ATOM 0 HA LYS A 34 0.010 -2.464 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.515 -2.984 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.971 -4.643 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.997 -3.823 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.334 -2.203 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.394 -2.681 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.560 -4.334 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.696 -4.824 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.581 -3.233 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.319 -4.926 7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.549 -3.859 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.437 -5.401 6.639 1.00 0.00 H new ATOM 463 N CYS A 35 2.554 -4.287 1.129 1.00 0.00 N ATOM 464 CA CYS A 35 3.972 -4.289 1.442 1.00 0.00 C ATOM 465 C CYS A 35 4.666 -3.269 0.537 1.00 0.00 C ATOM 466 O CYS A 35 5.408 -2.412 1.015 1.00 0.00 O ATOM 467 CB CYS A 35 4.581 -5.685 1.299 1.00 0.00 C ATOM 468 SG CYS A 35 4.789 -6.259 -0.426 1.00 0.00 S ATOM 0 H CYS A 35 2.224 -5.119 0.640 1.00 0.00 H new ATOM 0 HA CYS A 35 4.117 -4.006 2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.554 -5.693 1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.950 -6.397 1.830 1.00 0.00 H new ATOM 472 N ASN A 36 4.400 -3.395 -0.756 1.00 0.00 N ATOM 473 CA ASN A 36 4.990 -2.495 -1.732 1.00 0.00 C ATOM 474 C ASN A 36 4.448 -1.082 -1.509 1.00 0.00 C ATOM 475 O ASN A 36 5.193 -0.106 -1.590 1.00 0.00 O ATOM 476 CB ASN A 36 4.632 -2.919 -3.158 1.00 0.00 C ATOM 477 CG ASN A 36 5.877 -3.364 -3.926 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.398 -2.662 -4.777 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.324 -4.568 -3.581 1.00 0.00 N ATOM 0 H ASN A 36 3.784 -4.107 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 36 6.072 -2.525 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.908 -3.733 -3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.156 -2.089 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.150 -4.955 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.841 -5.104 -2.860 1.00 0.00 H new ATOM 485 N PHE A 37 3.154 -1.015 -1.230 1.00 0.00 N ATOM 486 CA PHE A 37 2.504 0.262 -0.994 1.00 0.00 C ATOM 487 C PHE A 37 3.078 0.949 0.246 1.00 0.00 C ATOM 488 O PHE A 37 3.417 2.131 0.205 1.00 0.00 O ATOM 489 CB PHE A 37 1.020 -0.027 -0.761 1.00 0.00 C ATOM 490 CG PHE A 37 0.254 1.129 -0.115 1.00 0.00 C ATOM 491 CD1 PHE A 37 -0.311 2.090 -0.894 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.140 1.197 1.239 1.00 0.00 C ATOM 493 CE1 PHE A 37 -1.022 3.163 -0.295 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.572 2.271 1.838 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.137 3.231 1.059 1.00 0.00 C ATOM 0 H PHE A 37 2.538 -1.826 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 37 2.661 0.922 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.554 -0.270 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.927 -0.909 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.219 2.037 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.590 0.435 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.472 3.925 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.664 2.325 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.677 4.048 1.515 1.00 0.00 H new ATOM 504 N CYS A 38 3.172 0.179 1.320 1.00 0.00 N ATOM 505 CA CYS A 38 3.700 0.699 2.570 1.00 0.00 C ATOM 506 C CYS A 38 5.138 1.161 2.329 1.00 0.00 C ATOM 507 O CYS A 38 5.558 2.193 2.852 1.00 0.00 O ATOM 508 CB CYS A 38 3.614 -0.336 3.694 1.00 0.00 C ATOM 509 SG CYS A 38 2.055 -0.302 4.652 1.00 0.00 S ATOM 0 H CYS A 38 2.891 -0.801 1.350 1.00 0.00 H new ATOM 0 HA CYS A 38 3.098 1.546 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.738 -1.330 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.448 -0.179 4.378 1.00 0.00 H new ATOM 513 N ASN A 39 5.852 0.378 1.536 1.00 0.00 N ATOM 514 CA ASN A 39 7.235 0.694 1.219 1.00 0.00 C ATOM 515 C ASN A 39 7.306 2.098 0.615 1.00 0.00 C ATOM 516 O ASN A 39 8.243 2.848 0.886 1.00 0.00 O ATOM 517 CB ASN A 39 7.804 -0.290 0.195 1.00 0.00 C ATOM 518 CG ASN A 39 9.332 -0.207 0.144 1.00 0.00 C ATOM 519 OD1 ASN A 39 9.912 0.555 -0.612 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.946 -1.030 0.988 1.00 0.00 N ATOM 0 H ASN A 39 5.500 -0.475 1.103 1.00 0.00 H new ATOM 0 HA ASN A 39 7.815 0.632 2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.500 -1.305 0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.391 -0.074 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.965 -1.050 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.398 -1.642 1.593 1.00 0.00 H new ATOM 526 N ALA A 40 6.304 2.412 -0.193 1.00 0.00 N ATOM 527 CA ALA A 40 6.242 3.714 -0.837 1.00 0.00 C ATOM 528 C ALA A 40 5.671 4.737 0.146 1.00 0.00 C ATOM 529 O ALA A 40 5.984 5.923 0.065 1.00 0.00 O ATOM 530 CB ALA A 40 5.412 3.610 -2.118 1.00 0.00 C ATOM 0 H ALA A 40 5.529 1.788 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 40 7.239 4.050 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.365 4.586 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.875 2.892 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.403 3.278 -1.872 1.00 0.00 H new ATOM 536 N VAL A 41 4.841 4.241 1.053 1.00 0.00 N ATOM 537 CA VAL A 41 4.222 5.098 2.050 1.00 0.00 C ATOM 538 C VAL A 41 5.292 5.587 3.029 1.00 0.00 C ATOM 539 O VAL A 41 5.517 6.789 3.158 1.00 0.00 O ATOM 540 CB VAL A 41 3.076 4.356 2.739 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.459 5.210 3.850 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.014 3.926 1.725 1.00 0.00 C ATOM 0 H VAL A 41 4.583 3.256 1.118 1.00 0.00 H new ATOM 0 HA VAL A 41 3.784 5.978 1.579 1.00 0.00 H new ATOM 0 HB VAL A 41 3.487 3.456 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.647 4.659 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.220 5.445 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.070 6.135 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.210 3.400 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.610 4.807 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.464 3.264 0.985 1.00 0.00 H new ATOM 552 N VAL A 42 5.922 4.631 3.694 1.00 0.00 N ATOM 553 CA VAL A 42 6.963 4.948 4.657 1.00 0.00 C ATOM 554 C VAL A 42 8.075 5.733 3.959 1.00 0.00 C ATOM 555 O VAL A 42 8.780 6.517 4.594 1.00 0.00 O ATOM 556 CB VAL A 42 7.464 3.668 5.328 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.943 3.431 5.019 1.00 0.00 C ATOM 558 CG2 VAL A 42 7.218 3.708 6.837 1.00 0.00 C ATOM 0 H VAL A 42 5.732 3.635 3.585 1.00 0.00 H new ATOM 0 HA VAL A 42 6.568 5.581 5.452 1.00 0.00 H new ATOM 0 HB VAL A 42 6.898 2.831 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.275 2.515 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.079 3.337 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.531 4.272 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.583 2.786 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.745 4.558 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.150 3.808 7.029 1.00 0.00 H new ATOM 568 N GLU A 43 8.199 5.495 2.662 1.00 0.00 N ATOM 569 CA GLU A 43 9.214 6.170 1.871 1.00 0.00 C ATOM 570 C GLU A 43 8.851 7.645 1.688 1.00 0.00 C ATOM 571 O GLU A 43 9.721 8.513 1.745 1.00 0.00 O ATOM 572 CB GLU A 43 9.403 5.481 0.518 1.00 0.00 C ATOM 573 CG GLU A 43 10.605 4.535 0.548 1.00 0.00 C ATOM 574 CD GLU A 43 11.734 5.055 -0.344 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.589 5.824 0.121 1.00 0.00 O ATOM 576 OE2 GLU A 43 11.704 4.632 -1.563 1.00 0.00 O ATOM 0 H GLU A 43 7.613 4.844 2.139 1.00 0.00 H new ATOM 0 HA GLU A 43 10.161 6.113 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.503 4.923 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.546 6.231 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.964 4.430 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.300 3.543 0.214 1.00 0.00 H new ATOM 582 N SER A 44 7.566 7.883 1.474 1.00 0.00 N ATOM 583 CA SER A 44 7.077 9.238 1.283 1.00 0.00 C ATOM 584 C SER A 44 6.789 9.887 2.638 1.00 0.00 C ATOM 585 O SER A 44 5.736 10.494 2.828 1.00 0.00 O ATOM 586 CB SER A 44 5.821 9.253 0.409 1.00 0.00 C ATOM 587 OG SER A 44 5.891 10.248 -0.609 1.00 0.00 O ATOM 0 H SER A 44 6.848 7.160 1.429 1.00 0.00 H new ATOM 0 HA SER A 44 7.850 9.811 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.687 8.273 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.947 9.435 1.034 1.00 0.00 H new ATOM 0 HG SER A 44 5.072 10.225 -1.146 1.00 0.00 H new ATOM 592 N ASN A 45 7.742 9.735 3.547 1.00 0.00 N ATOM 593 CA ASN A 45 7.603 10.298 4.878 1.00 0.00 C ATOM 594 C ASN A 45 6.276 9.839 5.485 1.00 0.00 C ATOM 595 O ASN A 45 5.765 10.462 6.415 1.00 0.00 O ATOM 596 CB ASN A 45 7.598 11.827 4.832 1.00 0.00 C ATOM 597 CG ASN A 45 8.827 12.401 5.541 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.953 11.985 5.323 1.00 0.00 O ATOM 599 ND2 ASN A 45 8.549 13.376 6.401 1.00 0.00 N ATOM 0 H ASN A 45 8.613 9.230 3.387 1.00 0.00 H new ATOM 0 HA ASN A 45 8.448 9.958 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.582 12.163 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.691 12.206 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.301 13.823 6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.584 13.677 6.536 1.00 0.00 H new ATOM 605 N GLY A 46 5.753 8.754 4.934 1.00 0.00 N ATOM 606 CA GLY A 46 4.494 8.205 5.409 1.00 0.00 C ATOM 607 C GLY A 46 3.340 9.175 5.150 1.00 0.00 C ATOM 608 O GLY A 46 2.368 9.205 5.903 1.00 0.00 O ATOM 0 H GLY A 46 6.178 8.240 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.295 7.257 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.564 7.995 6.476 1.00 0.00 H new ATOM 612 N THR A 47 3.485 9.944 4.082 1.00 0.00 N ATOM 613 CA THR A 47 2.467 10.914 3.713 1.00 0.00 C ATOM 614 C THR A 47 1.513 10.317 2.676 1.00 0.00 C ATOM 615 O THR A 47 0.341 10.686 2.619 1.00 0.00 O ATOM 616 CB THR A 47 3.172 12.182 3.231 1.00 0.00 C ATOM 617 OG1 THR A 47 3.867 11.768 2.056 1.00 0.00 O ATOM 618 CG2 THR A 47 4.285 12.631 4.181 1.00 0.00 C ATOM 0 H THR A 47 4.292 9.916 3.459 1.00 0.00 H new ATOM 0 HA THR A 47 1.845 11.178 4.568 1.00 0.00 H new ATOM 0 HB THR A 47 2.441 12.984 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.827 11.711 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.753 13.535 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.863 12.835 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.033 11.842 4.264 1.00 0.00 H new ATOM 626 N LEU A 48 2.051 9.404 1.880 1.00 0.00 N ATOM 627 CA LEU A 48 1.263 8.752 0.848 1.00 0.00 C ATOM 628 C LEU A 48 0.091 8.014 1.497 1.00 0.00 C ATOM 629 O LEU A 48 0.263 7.338 2.510 1.00 0.00 O ATOM 630 CB LEU A 48 2.150 7.857 -0.019 1.00 0.00 C ATOM 631 CG LEU A 48 1.565 7.438 -1.370 1.00 0.00 C ATOM 632 CD1 LEU A 48 0.410 6.453 -1.185 1.00 0.00 C ATOM 633 CD2 LEU A 48 1.151 8.661 -2.190 1.00 0.00 C ATOM 0 H LEU A 48 3.024 9.100 1.929 1.00 0.00 H new ATOM 0 HA LEU A 48 0.838 9.492 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.091 8.377 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.386 6.956 0.547 1.00 0.00 H new ATOM 0 HG LEU A 48 2.341 6.920 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.012 6.171 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.770 5.563 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.377 6.922 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.739 8.336 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.397 9.228 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.022 9.292 -2.367 1.00 0.00 H new ATOM 644 N THR A 49 -1.075 8.168 0.886 1.00 0.00 N ATOM 645 CA THR A 49 -2.275 7.524 1.392 1.00 0.00 C ATOM 646 C THR A 49 -2.860 6.581 0.338 1.00 0.00 C ATOM 647 O THR A 49 -2.685 6.800 -0.860 1.00 0.00 O ATOM 648 CB THR A 49 -3.248 8.618 1.836 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.320 9.494 0.714 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.677 9.491 2.955 1.00 0.00 C ATOM 0 H THR A 49 -1.214 8.729 0.046 1.00 0.00 H new ATOM 0 HA THR A 49 -2.053 6.897 2.255 1.00 0.00 H new ATOM 0 HB THR A 49 -4.179 8.161 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.932 10.233 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.408 10.251 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.452 8.870 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.764 9.975 2.609 1.00 0.00 H new ATOM 658 N LEU A 50 -3.541 5.554 0.822 1.00 0.00 N ATOM 659 CA LEU A 50 -4.152 4.578 -0.065 1.00 0.00 C ATOM 660 C LEU A 50 -5.384 5.198 -0.727 1.00 0.00 C ATOM 661 O LEU A 50 -6.294 5.663 -0.043 1.00 0.00 O ATOM 662 CB LEU A 50 -4.448 3.280 0.691 1.00 0.00 C ATOM 663 CG LEU A 50 -5.224 2.214 -0.086 1.00 0.00 C ATOM 664 CD1 LEU A 50 -6.711 2.567 -0.166 1.00 0.00 C ATOM 665 CD2 LEU A 50 -4.613 1.992 -1.471 1.00 0.00 C ATOM 0 H LEU A 50 -3.684 5.376 1.816 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.463 4.305 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.501 2.848 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.011 3.527 1.591 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.145 1.272 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.239 1.793 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.124 2.635 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.831 3.525 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.183 1.230 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.641 2.925 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.579 1.663 -1.364 1.00 0.00 H new ATOM 676 N SER A 51 -5.374 5.184 -2.052 1.00 0.00 N ATOM 677 CA SER A 51 -6.478 5.739 -2.815 1.00 0.00 C ATOM 678 C SER A 51 -7.631 4.734 -2.875 1.00 0.00 C ATOM 679 O SER A 51 -8.781 5.089 -2.622 1.00 0.00 O ATOM 680 CB SER A 51 -6.035 6.122 -4.229 1.00 0.00 C ATOM 681 OG SER A 51 -6.413 7.453 -4.566 1.00 0.00 O ATOM 0 H SER A 51 -4.618 4.797 -2.617 1.00 0.00 H new ATOM 0 HA SER A 51 -6.818 6.644 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.953 6.022 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.473 5.428 -4.946 1.00 0.00 H new ATOM 0 HG SER A 51 -6.110 7.659 -5.475 1.00 0.00 H new ATOM 686 N HIS A 52 -7.281 3.501 -3.208 1.00 0.00 N ATOM 687 CA HIS A 52 -8.273 2.443 -3.304 1.00 0.00 C ATOM 688 C HIS A 52 -7.579 1.118 -3.626 1.00 0.00 C ATOM 689 O HIS A 52 -6.366 1.081 -3.831 1.00 0.00 O ATOM 690 CB HIS A 52 -9.360 2.805 -4.318 1.00 0.00 C ATOM 691 CG HIS A 52 -8.855 2.950 -5.734 1.00 0.00 C ATOM 692 ND1 HIS A 52 -8.849 1.903 -6.638 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.340 4.029 -6.391 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.351 2.342 -7.784 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.036 3.660 -7.629 1.00 0.00 N ATOM 0 H HIS A 52 -6.325 3.210 -3.415 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.778 2.326 -2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.133 2.037 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.830 3.740 -4.013 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.173 0.954 -6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.203 5.016 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.218 1.759 -8.683 1.00 0.00 H new ATOM 703 N PHE A 53 -8.379 0.062 -3.664 1.00 0.00 N ATOM 704 CA PHE A 53 -7.857 -1.262 -3.959 1.00 0.00 C ATOM 705 C PHE A 53 -8.084 -1.626 -5.427 1.00 0.00 C ATOM 706 O PHE A 53 -8.940 -1.042 -6.090 1.00 0.00 O ATOM 707 CB PHE A 53 -8.621 -2.250 -3.076 1.00 0.00 C ATOM 708 CG PHE A 53 -8.052 -2.390 -1.662 1.00 0.00 C ATOM 709 CD1 PHE A 53 -6.752 -2.745 -1.484 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.849 -2.159 -0.583 1.00 0.00 C ATOM 711 CE1 PHE A 53 -6.224 -2.875 -0.171 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.321 -2.289 0.728 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.020 -2.644 0.907 1.00 0.00 C ATOM 0 H PHE A 53 -9.384 0.096 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.784 -1.291 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.661 -1.932 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.618 -3.228 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.120 -2.928 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.882 -1.877 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.191 -3.157 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.953 -2.106 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.619 -2.742 1.905 1.00 0.00 H new ATOM 722 N GLY A 54 -7.303 -2.591 -5.892 1.00 0.00 N ATOM 723 CA GLY A 54 -7.409 -3.040 -7.270 1.00 0.00 C ATOM 724 C GLY A 54 -6.598 -2.139 -8.204 1.00 0.00 C ATOM 725 O GLY A 54 -6.412 -0.956 -7.925 1.00 0.00 O ATOM 0 H GLY A 54 -6.595 -3.074 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.053 -4.067 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.455 -3.040 -7.577 1.00 0.00 H new ATOM 729 N LYS A 55 -6.136 -2.733 -9.294 1.00 0.00 N ATOM 730 CA LYS A 55 -5.349 -2.000 -10.271 1.00 0.00 C ATOM 731 C LYS A 55 -5.945 -0.603 -10.454 1.00 0.00 C ATOM 732 O LYS A 55 -7.163 -0.433 -10.414 1.00 0.00 O ATOM 733 CB LYS A 55 -5.236 -2.795 -11.574 1.00 0.00 C ATOM 734 CG LYS A 55 -3.773 -3.094 -11.908 1.00 0.00 C ATOM 735 CD LYS A 55 -3.281 -4.332 -11.155 1.00 0.00 C ATOM 736 CE LYS A 55 -2.399 -5.204 -12.051 1.00 0.00 C ATOM 737 NZ LYS A 55 -3.230 -5.972 -13.005 1.00 0.00 N ATOM 0 H LYS A 55 -6.292 -3.715 -9.523 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.327 -1.868 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.790 -3.729 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.691 -2.232 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.666 -3.250 -12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.154 -2.236 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.719 -4.026 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.135 -4.912 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.693 -4.578 -12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.812 -5.888 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.623 -6.609 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.932 -6.532 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.720 -5.315 -13.646 1.00 0.00 H new ATOM 747 N CYS A 56 -5.059 0.362 -10.649 1.00 0.00 N ATOM 748 CA CYS A 56 -5.482 1.739 -10.838 1.00 0.00 C ATOM 749 C CYS A 56 -6.447 1.788 -12.024 1.00 0.00 C ATOM 750 O CYS A 56 -7.436 2.517 -11.995 1.00 0.00 O ATOM 751 CB CYS A 56 -4.289 2.676 -11.034 1.00 0.00 C ATOM 752 SG CYS A 56 -3.976 3.825 -9.644 1.00 0.00 S ATOM 0 H CYS A 56 -4.050 0.218 -10.680 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.992 2.091 -9.941 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.395 2.074 -11.197 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.449 3.260 -11.940 1.00 0.00 H new TER 756 CYS A 56