USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 298 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.41) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 12:sc= 0.738! USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0133 (180deg=-0.195) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.093 -16.621 5.478 1.00 0.00 N ATOM 2 CA GLY A 1 -5.771 -15.904 4.413 1.00 0.00 C ATOM 3 C GLY A 1 -6.920 -15.058 4.924 1.00 0.00 C ATOM 4 O GLY A 1 -8.074 -15.484 4.895 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.316 -17.184 5.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.709 -15.941 6.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.768 -17.252 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.055 -15.265 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.147 -16.618 3.681 1.00 0.00 H new ATOM 8 N SER A 2 -6.604 -13.855 5.394 1.00 0.00 N ATOM 9 CA SER A 2 -7.618 -12.949 5.919 1.00 0.00 C ATOM 10 C SER A 2 -7.884 -11.808 4.942 1.00 0.00 C ATOM 11 O SER A 2 -8.922 -11.148 5.009 1.00 0.00 O ATOM 12 CB SER A 2 -7.178 -12.386 7.272 1.00 0.00 C ATOM 13 OG SER A 2 -6.139 -11.436 7.115 1.00 0.00 O ATOM 0 H SER A 2 -5.654 -13.486 5.422 1.00 0.00 H new ATOM 0 HA SER A 2 -8.541 -13.513 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.029 -11.920 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.838 -13.198 7.914 1.00 0.00 H new ATOM 0 HG SER A 2 -5.877 -11.090 7.994 1.00 0.00 H new ATOM 19 N SER A 3 -6.939 -11.580 4.036 1.00 0.00 N ATOM 20 CA SER A 3 -7.069 -10.517 3.047 1.00 0.00 C ATOM 21 C SER A 3 -8.110 -10.879 1.992 1.00 0.00 C ATOM 22 O SER A 3 -8.169 -12.016 1.527 1.00 0.00 O ATOM 23 CB SER A 3 -5.720 -10.247 2.377 1.00 0.00 C ATOM 24 OG SER A 3 -5.718 -8.991 1.721 1.00 0.00 O ATOM 0 H SER A 3 -6.075 -12.117 3.966 1.00 0.00 H new ATOM 0 HA SER A 3 -7.398 -9.615 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.928 -10.271 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.503 -11.037 1.658 1.00 0.00 H new ATOM 0 HG SER A 3 -4.844 -8.842 1.303 1.00 0.00 H new ATOM 30 N GLY A 4 -8.931 -9.901 1.619 1.00 0.00 N ATOM 31 CA GLY A 4 -9.959 -10.136 0.623 1.00 0.00 C ATOM 32 C GLY A 4 -11.082 -9.120 0.698 1.00 0.00 C ATOM 33 O GLY A 4 -11.948 -9.206 1.568 1.00 0.00 O ATOM 0 H GLY A 4 -8.902 -8.951 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.512 -10.106 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.369 -11.137 0.758 1.00 0.00 H new ATOM 37 N SER A 5 -11.067 -8.155 -0.216 1.00 0.00 N ATOM 38 CA SER A 5 -12.089 -7.115 -0.246 1.00 0.00 C ATOM 39 C SER A 5 -13.105 -7.384 -1.351 1.00 0.00 C ATOM 40 O SER A 5 -12.835 -8.134 -2.289 1.00 0.00 O ATOM 41 CB SER A 5 -11.444 -5.743 -0.453 1.00 0.00 C ATOM 42 OG SER A 5 -12.391 -4.703 -0.277 1.00 0.00 O ATOM 0 H SER A 5 -10.359 -8.072 -0.945 1.00 0.00 H new ATOM 0 HA SER A 5 -12.609 -7.123 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.622 -5.614 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.018 -5.685 -1.454 1.00 0.00 H new ATOM 0 HG SER A 5 -11.954 -3.836 -0.413 1.00 0.00 H new ATOM 48 N SER A 6 -14.276 -6.766 -1.233 1.00 0.00 N ATOM 49 CA SER A 6 -15.336 -6.941 -2.219 1.00 0.00 C ATOM 50 C SER A 6 -15.374 -5.765 -3.190 1.00 0.00 C ATOM 51 O SER A 6 -15.226 -5.939 -4.399 1.00 0.00 O ATOM 52 CB SER A 6 -16.690 -7.087 -1.523 1.00 0.00 C ATOM 53 OG SER A 6 -17.751 -7.063 -2.462 1.00 0.00 O ATOM 0 H SER A 6 -14.515 -6.140 -0.464 1.00 0.00 H new ATOM 0 HA SER A 6 -15.127 -7.849 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.716 -8.022 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.820 -6.281 -0.801 1.00 0.00 H new ATOM 0 HG SER A 6 -18.606 -7.160 -1.992 1.00 0.00 H new ATOM 59 N GLY A 7 -15.573 -4.566 -2.651 1.00 0.00 N ATOM 60 CA GLY A 7 -15.627 -3.378 -3.482 1.00 0.00 C ATOM 61 C GLY A 7 -14.365 -3.184 -4.299 1.00 0.00 C ATOM 62 O GLY A 7 -13.512 -4.069 -4.354 1.00 0.00 O ATOM 0 H GLY A 7 -15.698 -4.396 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.483 -3.446 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.785 -2.504 -2.851 1.00 0.00 H new ATOM 66 N GLU A 8 -14.247 -2.024 -4.937 1.00 0.00 N ATOM 67 CA GLU A 8 -13.081 -1.719 -5.758 1.00 0.00 C ATOM 68 C GLU A 8 -12.488 -0.365 -5.378 1.00 0.00 C ATOM 69 O GLU A 8 -13.201 0.635 -5.288 1.00 0.00 O ATOM 70 CB GLU A 8 -13.457 -1.726 -7.241 1.00 0.00 C ATOM 71 CG GLU A 8 -14.010 -3.057 -7.722 1.00 0.00 C ATOM 72 CD GLU A 8 -13.711 -3.319 -9.185 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.925 -2.405 -10.008 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.261 -4.439 -9.506 1.00 0.00 O ATOM 0 H GLU A 8 -14.944 -1.280 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.330 -2.489 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.198 -0.947 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.577 -1.473 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.587 -3.861 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.089 -3.075 -7.567 1.00 0.00 H new ATOM 81 N LYS A 9 -11.178 -0.340 -5.158 1.00 0.00 N ATOM 82 CA LYS A 9 -10.487 0.890 -4.789 1.00 0.00 C ATOM 83 C LYS A 9 -9.913 1.581 -6.021 1.00 0.00 C ATOM 84 O LYS A 9 -8.989 1.086 -6.667 1.00 0.00 O ATOM 85 CB LYS A 9 -9.367 0.590 -3.790 1.00 0.00 C ATOM 86 CG LYS A 9 -9.849 0.463 -2.355 1.00 0.00 C ATOM 87 CD LYS A 9 -8.962 -0.470 -1.549 1.00 0.00 C ATOM 88 CE LYS A 9 -9.597 -0.829 -0.215 1.00 0.00 C ATOM 89 NZ LYS A 9 -8.617 -1.456 0.715 1.00 0.00 N ATOM 0 H LYS A 9 -10.573 -1.158 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.211 1.559 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.871 -0.336 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.621 1.383 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.864 1.447 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.873 0.091 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.775 -1.379 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.995 0.003 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.010 0.069 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.429 -1.513 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.089 -1.686 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.242 -2.327 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.836 -0.794 0.894 1.00 0.00 H new ATOM 103 N PRO A 10 -10.469 2.755 -6.356 1.00 0.00 N ATOM 104 CA PRO A 10 -10.026 3.541 -7.511 1.00 0.00 C ATOM 105 C PRO A 10 -8.641 4.145 -7.305 1.00 0.00 C ATOM 106 O PRO A 10 -8.152 4.901 -8.144 1.00 0.00 O ATOM 107 CB PRO A 10 -11.081 4.645 -7.615 1.00 0.00 C ATOM 108 CG PRO A 10 -11.623 4.783 -6.235 1.00 0.00 C ATOM 109 CD PRO A 10 -11.574 3.406 -5.631 1.00 0.00 C ATOM 0 HA PRO A 10 -9.938 2.930 -8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.642 5.580 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.865 4.378 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.029 5.487 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.644 5.165 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.384 3.444 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.515 2.873 -5.769 1.00 0.00 H new ATOM 117 N TYR A 11 -8.014 3.805 -6.184 1.00 0.00 N ATOM 118 CA TYR A 11 -6.686 4.316 -5.867 1.00 0.00 C ATOM 119 C TYR A 11 -5.742 3.180 -5.484 1.00 0.00 C ATOM 120 O TYR A 11 -5.885 2.571 -4.424 1.00 0.00 O ATOM 121 CB TYR A 11 -6.766 5.334 -4.728 1.00 0.00 C ATOM 122 CG TYR A 11 -7.692 6.494 -5.016 1.00 0.00 C ATOM 123 CD1 TYR A 11 -9.060 6.389 -4.795 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.199 7.696 -5.509 1.00 0.00 C ATOM 125 CE1 TYR A 11 -9.909 7.446 -5.058 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.041 8.759 -5.774 1.00 0.00 C ATOM 127 CZ TYR A 11 -9.395 8.629 -5.547 1.00 0.00 C ATOM 128 OH TYR A 11 -10.237 9.685 -5.809 1.00 0.00 O ATOM 0 H TYR A 11 -8.404 3.178 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.292 4.807 -6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.102 4.828 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.767 5.719 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.466 5.465 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.139 7.801 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.970 7.347 -4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.641 9.686 -6.157 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.716 10.443 -6.147 1.00 0.00 H new ATOM 138 N SER A 12 -4.778 2.901 -6.354 1.00 0.00 N ATOM 139 CA SER A 12 -3.812 1.837 -6.110 1.00 0.00 C ATOM 140 C SER A 12 -2.389 2.325 -6.366 1.00 0.00 C ATOM 141 O SER A 12 -2.160 3.193 -7.209 1.00 0.00 O ATOM 142 CB SER A 12 -4.116 0.629 -6.999 1.00 0.00 C ATOM 143 OG SER A 12 -4.243 1.014 -8.357 1.00 0.00 O ATOM 0 H SER A 12 -4.645 3.397 -7.235 1.00 0.00 H new ATOM 0 HA SER A 12 -3.893 1.540 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.320 -0.109 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.037 0.151 -6.666 1.00 0.00 H new ATOM 0 HG SER A 12 -4.435 0.224 -8.904 1.00 0.00 H new ATOM 149 N CYS A 13 -1.436 1.761 -5.632 1.00 0.00 N ATOM 150 CA CYS A 13 -0.035 2.138 -5.776 1.00 0.00 C ATOM 151 C CYS A 13 0.596 1.435 -6.975 1.00 0.00 C ATOM 152 O CYS A 13 0.127 0.384 -7.409 1.00 0.00 O ATOM 153 CB CYS A 13 0.741 1.794 -4.504 1.00 0.00 C ATOM 154 SG CYS A 13 2.520 2.177 -4.592 1.00 0.00 S ATOM 0 H CYS A 13 -1.609 1.041 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 13 0.011 3.214 -5.941 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.304 2.338 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.619 0.732 -4.293 1.00 0.00 H new ATOM 159 N ASN A 14 1.663 2.024 -7.506 1.00 0.00 N ATOM 160 CA ASN A 14 2.358 1.455 -8.654 1.00 0.00 C ATOM 161 C ASN A 14 3.792 1.081 -8.291 1.00 0.00 C ATOM 162 O ASN A 14 4.317 0.070 -8.757 1.00 0.00 O ATOM 163 CB ASN A 14 2.358 2.447 -9.820 1.00 0.00 C ATOM 164 CG ASN A 14 2.370 1.753 -11.168 1.00 0.00 C ATOM 165 OD1 ASN A 14 1.622 0.803 -11.397 1.00 0.00 O ATOM 166 ND2 ASN A 14 3.222 2.228 -12.070 1.00 0.00 N ATOM 0 H ASN A 14 2.065 2.895 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 14 1.830 0.550 -8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.477 3.085 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.230 3.097 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.274 1.803 -12.996 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.824 3.018 -11.837 1.00 0.00 H new ATOM 173 N GLU A 15 4.420 1.904 -7.457 1.00 0.00 N ATOM 174 CA GLU A 15 5.793 1.658 -7.032 1.00 0.00 C ATOM 175 C GLU A 15 5.937 0.260 -6.438 1.00 0.00 C ATOM 176 O GLU A 15 6.604 -0.603 -7.008 1.00 0.00 O ATOM 177 CB GLU A 15 6.228 2.708 -6.006 1.00 0.00 C ATOM 178 CG GLU A 15 5.698 4.101 -6.299 1.00 0.00 C ATOM 179 CD GLU A 15 6.623 5.194 -5.799 1.00 0.00 C ATOM 180 OE1 GLU A 15 7.849 5.073 -6.005 1.00 0.00 O ATOM 181 OE2 GLU A 15 6.121 6.170 -5.203 1.00 0.00 O ATOM 0 H GLU A 15 4.000 2.746 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 15 6.436 1.729 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.889 2.400 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.317 2.742 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.557 4.213 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.719 4.218 -5.835 1.00 0.00 H new ATOM 188 N CYS A 16 5.308 0.045 -5.288 1.00 0.00 N ATOM 189 CA CYS A 16 5.365 -1.247 -4.614 1.00 0.00 C ATOM 190 C CYS A 16 4.092 -2.049 -4.865 1.00 0.00 C ATOM 191 O CYS A 16 4.128 -3.273 -4.979 1.00 0.00 O ATOM 192 CB CYS A 16 5.571 -1.053 -3.110 1.00 0.00 C ATOM 193 SG CYS A 16 4.066 -0.557 -2.212 1.00 0.00 S ATOM 0 H CYS A 16 4.752 0.749 -4.803 1.00 0.00 H new ATOM 0 HA CYS A 16 6.209 -1.803 -5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.947 -1.983 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.340 -0.297 -2.954 1.00 0.00 H new ATOM 198 N GLY A 17 2.965 -1.348 -4.951 1.00 0.00 N ATOM 199 CA GLY A 17 1.695 -2.010 -5.187 1.00 0.00 C ATOM 200 C GLY A 17 0.801 -2.005 -3.963 1.00 0.00 C ATOM 201 O GLY A 17 1.178 -2.515 -2.908 1.00 0.00 O ATOM 0 H GLY A 17 2.909 -0.333 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.180 -1.517 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.877 -3.039 -5.495 1.00 0.00 H new ATOM 205 N LYS A 18 -0.386 -1.426 -4.103 1.00 0.00 N ATOM 206 CA LYS A 18 -1.338 -1.355 -3.000 1.00 0.00 C ATOM 207 C LYS A 18 -2.661 -0.753 -3.461 1.00 0.00 C ATOM 208 O LYS A 18 -2.783 -0.293 -4.596 1.00 0.00 O ATOM 209 CB LYS A 18 -0.759 -0.524 -1.853 1.00 0.00 C ATOM 210 CG LYS A 18 -1.560 -0.622 -0.566 1.00 0.00 C ATOM 211 CD LYS A 18 -0.674 -0.448 0.657 1.00 0.00 C ATOM 212 CE LYS A 18 -1.477 -0.552 1.945 1.00 0.00 C ATOM 213 NZ LYS A 18 -0.838 0.204 3.058 1.00 0.00 N ATOM 0 H LYS A 18 -0.713 -0.999 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.524 -2.369 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.263 -0.849 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.709 0.520 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.340 0.140 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.059 -1.590 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.108 -1.207 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.178 0.521 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.484 -0.170 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.577 -1.600 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.415 0.109 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.113 -0.177 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.766 1.209 2.799 1.00 0.00 H new ATOM 227 N ALA A 19 -3.650 -0.758 -2.572 1.00 0.00 N ATOM 228 CA ALA A 19 -4.963 -0.209 -2.887 1.00 0.00 C ATOM 229 C ALA A 19 -5.425 0.763 -1.808 1.00 0.00 C ATOM 230 O ALA A 19 -4.934 0.732 -0.679 1.00 0.00 O ATOM 231 CB ALA A 19 -5.976 -1.331 -3.059 1.00 0.00 C ATOM 0 H ALA A 19 -3.566 -1.136 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.884 0.342 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.952 -0.907 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.660 -1.985 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.043 -1.906 -2.135 1.00 0.00 H new ATOM 237 N PHE A 20 -6.370 1.627 -2.161 1.00 0.00 N ATOM 238 CA PHE A 20 -6.897 2.611 -1.222 1.00 0.00 C ATOM 239 C PHE A 20 -8.242 3.151 -1.698 1.00 0.00 C ATOM 240 O PHE A 20 -8.452 3.365 -2.893 1.00 0.00 O ATOM 241 CB PHE A 20 -5.905 3.762 -1.047 1.00 0.00 C ATOM 242 CG PHE A 20 -4.582 3.333 -0.480 1.00 0.00 C ATOM 243 CD1 PHE A 20 -3.551 2.938 -1.317 1.00 0.00 C ATOM 244 CD2 PHE A 20 -4.370 3.323 0.889 1.00 0.00 C ATOM 245 CE1 PHE A 20 -2.332 2.543 -0.799 1.00 0.00 C ATOM 246 CE2 PHE A 20 -3.153 2.929 1.412 1.00 0.00 C ATOM 247 CZ PHE A 20 -2.133 2.537 0.567 1.00 0.00 C ATOM 0 H PHE A 20 -6.787 1.666 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.043 2.118 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.740 4.238 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.345 4.514 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.702 2.939 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.164 3.626 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.536 2.239 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.999 2.928 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.182 2.227 0.974 1.00 0.00 H new ATOM 257 N THR A 21 -9.153 3.370 -0.755 1.00 0.00 N ATOM 258 CA THR A 21 -10.479 3.883 -1.077 1.00 0.00 C ATOM 259 C THR A 21 -10.438 5.384 -1.340 1.00 0.00 C ATOM 260 O THR A 21 -11.210 5.904 -2.147 1.00 0.00 O ATOM 261 CB THR A 21 -11.482 3.600 0.058 1.00 0.00 C ATOM 262 OG1 THR A 21 -11.353 2.243 0.498 1.00 0.00 O ATOM 263 CG2 THR A 21 -12.908 3.855 -0.405 1.00 0.00 C ATOM 0 H THR A 21 -8.997 3.200 0.238 1.00 0.00 H new ATOM 0 HA THR A 21 -10.807 3.367 -1.979 1.00 0.00 H new ATOM 0 HB THR A 21 -11.260 4.273 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.992 2.071 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.598 3.649 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.010 4.896 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.139 3.204 -1.248 1.00 0.00 H new ATOM 271 N PHE A 22 -9.533 6.076 -0.656 1.00 0.00 N ATOM 272 CA PHE A 22 -9.392 7.518 -0.817 1.00 0.00 C ATOM 273 C PHE A 22 -7.988 7.878 -1.294 1.00 0.00 C ATOM 274 O PHE A 22 -7.026 7.154 -1.033 1.00 0.00 O ATOM 275 CB PHE A 22 -9.692 8.231 0.504 1.00 0.00 C ATOM 276 CG PHE A 22 -11.159 8.418 0.764 1.00 0.00 C ATOM 277 CD1 PHE A 22 -11.974 7.327 1.024 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.724 9.683 0.750 1.00 0.00 C ATOM 279 CE1 PHE A 22 -13.325 7.496 1.263 1.00 0.00 C ATOM 280 CE2 PHE A 22 -13.074 9.858 0.989 1.00 0.00 C ATOM 281 CZ PHE A 22 -13.875 8.763 1.247 1.00 0.00 C ATOM 0 H PHE A 22 -8.886 5.661 0.015 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.108 7.846 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.256 7.660 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.205 9.206 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.549 6.334 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.102 10.543 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -13.950 6.638 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.502 10.850 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.930 8.897 1.436 1.00 0.00 H new ATOM 291 N LYS A 23 -7.877 9.001 -1.995 1.00 0.00 N ATOM 292 CA LYS A 23 -6.592 9.459 -2.510 1.00 0.00 C ATOM 293 C LYS A 23 -5.605 9.700 -1.372 1.00 0.00 C ATOM 294 O LYS A 23 -4.517 9.126 -1.349 1.00 0.00 O ATOM 295 CB LYS A 23 -6.773 10.743 -3.323 1.00 0.00 C ATOM 296 CG LYS A 23 -5.464 11.365 -3.777 1.00 0.00 C ATOM 297 CD LYS A 23 -5.643 12.171 -5.052 1.00 0.00 C ATOM 298 CE LYS A 23 -5.410 11.317 -6.289 1.00 0.00 C ATOM 299 NZ LYS A 23 -6.148 11.841 -7.472 1.00 0.00 N ATOM 0 H LYS A 23 -8.663 9.612 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.190 8.680 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.385 10.526 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.322 11.469 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.074 12.010 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.725 10.581 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.649 12.589 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.949 13.011 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.344 11.284 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.726 10.293 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.963 11.232 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.168 11.849 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.829 12.809 -7.680 1.00 0.00 H new ATOM 313 N SER A 24 -5.994 10.552 -0.428 1.00 0.00 N ATOM 314 CA SER A 24 -5.142 10.871 0.712 1.00 0.00 C ATOM 315 C SER A 24 -4.452 9.617 1.241 1.00 0.00 C ATOM 316 O SER A 24 -3.227 9.570 1.350 1.00 0.00 O ATOM 317 CB SER A 24 -5.965 11.522 1.824 1.00 0.00 C ATOM 318 OG SER A 24 -7.097 10.734 2.149 1.00 0.00 O ATOM 0 H SER A 24 -6.893 11.033 -0.430 1.00 0.00 H new ATOM 0 HA SER A 24 -4.377 11.572 0.378 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.344 11.655 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.287 12.514 1.509 1.00 0.00 H new ATOM 0 HG SER A 24 -7.606 11.171 2.864 1.00 0.00 H new ATOM 324 N GLN A 25 -5.248 8.605 1.568 1.00 0.00 N ATOM 325 CA GLN A 25 -4.715 7.351 2.087 1.00 0.00 C ATOM 326 C GLN A 25 -3.595 6.825 1.196 1.00 0.00 C ATOM 327 O GLN A 25 -2.628 6.233 1.678 1.00 0.00 O ATOM 328 CB GLN A 25 -5.827 6.306 2.199 1.00 0.00 C ATOM 329 CG GLN A 25 -6.926 6.690 3.176 1.00 0.00 C ATOM 330 CD GLN A 25 -7.636 5.483 3.759 1.00 0.00 C ATOM 331 OE1 GLN A 25 -7.640 5.278 4.973 1.00 0.00 O ATOM 332 NE2 GLN A 25 -8.241 4.677 2.895 1.00 0.00 N ATOM 0 H GLN A 25 -6.264 8.629 1.483 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.306 7.543 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.267 6.148 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.392 5.356 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.497 7.281 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.653 7.324 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.212 4.885 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.735 3.849 3.229 1.00 0.00 H new ATOM 341 N LEU A 26 -3.730 7.045 -0.107 1.00 0.00 N ATOM 342 CA LEU A 26 -2.730 6.593 -1.068 1.00 0.00 C ATOM 343 C LEU A 26 -1.504 7.501 -1.045 1.00 0.00 C ATOM 344 O LEU A 26 -0.374 7.039 -1.204 1.00 0.00 O ATOM 345 CB LEU A 26 -3.326 6.556 -2.476 1.00 0.00 C ATOM 346 CG LEU A 26 -2.345 6.265 -3.613 1.00 0.00 C ATOM 347 CD1 LEU A 26 -1.693 4.904 -3.420 1.00 0.00 C ATOM 348 CD2 LEU A 26 -3.052 6.334 -4.958 1.00 0.00 C ATOM 0 H LEU A 26 -4.523 7.534 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.420 5.587 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.110 5.799 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.804 7.516 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.564 7.025 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.998 4.714 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.152 4.891 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.461 4.131 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.339 6.124 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.854 5.597 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.470 7.331 -5.098 1.00 0.00 H new ATOM 360 N ILE A 27 -1.736 8.794 -0.845 1.00 0.00 N ATOM 361 CA ILE A 27 -0.651 9.766 -0.799 1.00 0.00 C ATOM 362 C ILE A 27 0.283 9.491 0.375 1.00 0.00 C ATOM 363 O ILE A 27 1.503 9.586 0.247 1.00 0.00 O ATOM 364 CB ILE A 27 -1.188 11.205 -0.687 1.00 0.00 C ATOM 365 CG1 ILE A 27 -2.361 11.410 -1.648 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.081 12.208 -0.972 1.00 0.00 C ATOM 367 CD1 ILE A 27 -2.107 10.868 -3.037 1.00 0.00 C ATOM 0 H ILE A 27 -2.665 9.193 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.097 9.666 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.543 11.366 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.247 10.927 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.581 12.475 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.477 13.220 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.726 12.074 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.302 12.050 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.981 11.048 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.241 11.368 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.917 9.796 -2.980 1.00 0.00 H new ATOM 379 N VAL A 28 -0.300 9.148 1.520 1.00 0.00 N ATOM 380 CA VAL A 28 0.480 8.856 2.717 1.00 0.00 C ATOM 381 C VAL A 28 1.323 7.600 2.531 1.00 0.00 C ATOM 382 O VAL A 28 2.482 7.549 2.945 1.00 0.00 O ATOM 383 CB VAL A 28 -0.428 8.674 3.948 1.00 0.00 C ATOM 384 CG1 VAL A 28 0.408 8.484 5.204 1.00 0.00 C ATOM 385 CG2 VAL A 28 -1.367 9.862 4.097 1.00 0.00 C ATOM 0 H VAL A 28 -1.309 9.066 1.644 1.00 0.00 H new ATOM 0 HA VAL A 28 1.137 9.710 2.882 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.032 7.778 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.250 8.357 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.035 7.599 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.039 9.359 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.001 9.717 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.783 10.774 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.990 9.947 3.207 1.00 0.00 H new ATOM 395 N HIS A 29 0.734 6.586 1.904 1.00 0.00 N ATOM 396 CA HIS A 29 1.432 5.328 1.662 1.00 0.00 C ATOM 397 C HIS A 29 2.475 5.489 0.560 1.00 0.00 C ATOM 398 O HIS A 29 3.458 4.750 0.509 1.00 0.00 O ATOM 399 CB HIS A 29 0.435 4.233 1.281 1.00 0.00 C ATOM 400 CG HIS A 29 1.041 3.125 0.476 1.00 0.00 C ATOM 401 ND1 HIS A 29 1.535 1.968 1.040 1.00 0.00 N ATOM 402 CD2 HIS A 29 1.229 3.001 -0.859 1.00 0.00 C ATOM 403 CE1 HIS A 29 2.003 1.181 0.088 1.00 0.00 C ATOM 404 NE2 HIS A 29 1.829 1.785 -1.074 1.00 0.00 N ATOM 0 H HIS A 29 -0.224 6.611 1.555 1.00 0.00 H new ATOM 0 HA HIS A 29 1.942 5.041 2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.001 3.816 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.382 4.678 0.714 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.539 1.753 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.958 3.724 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.451 0.209 0.235 1.00 0.00 H new ATOM 412 N LYS A 30 2.253 6.458 -0.321 1.00 0.00 N ATOM 413 CA LYS A 30 3.172 6.717 -1.423 1.00 0.00 C ATOM 414 C LYS A 30 4.411 7.461 -0.933 1.00 0.00 C ATOM 415 O LYS A 30 5.469 7.403 -1.559 1.00 0.00 O ATOM 416 CB LYS A 30 2.475 7.530 -2.516 1.00 0.00 C ATOM 417 CG LYS A 30 1.664 6.682 -3.480 1.00 0.00 C ATOM 418 CD LYS A 30 1.497 7.371 -4.824 1.00 0.00 C ATOM 419 CE LYS A 30 0.819 6.461 -5.837 1.00 0.00 C ATOM 420 NZ LYS A 30 1.177 6.824 -7.236 1.00 0.00 N ATOM 0 H LYS A 30 1.443 7.078 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 30 3.484 5.758 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.818 8.263 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.225 8.087 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.156 5.720 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.683 6.478 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.908 8.279 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.473 7.675 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.106 5.427 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.262 6.520 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.695 6.181 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.881 7.802 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.206 6.743 -7.363 1.00 0.00 H new ATOM 434 N GLY A 31 4.272 8.159 0.190 1.00 0.00 N ATOM 435 CA GLY A 31 5.388 8.902 0.744 1.00 0.00 C ATOM 436 C GLY A 31 6.535 8.002 1.161 1.00 0.00 C ATOM 437 O GLY A 31 7.685 8.436 1.218 1.00 0.00 O ATOM 0 H GLY A 31 3.406 8.223 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.744 9.621 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.047 9.474 1.607 1.00 0.00 H new ATOM 441 N VAL A 32 6.221 6.745 1.456 1.00 0.00 N ATOM 442 CA VAL A 32 7.233 5.781 1.871 1.00 0.00 C ATOM 443 C VAL A 32 8.254 5.545 0.763 1.00 0.00 C ATOM 444 O VAL A 32 9.396 5.168 1.026 1.00 0.00 O ATOM 445 CB VAL A 32 6.598 4.434 2.264 1.00 0.00 C ATOM 446 CG1 VAL A 32 5.351 4.657 3.107 1.00 0.00 C ATOM 447 CG2 VAL A 32 6.274 3.616 1.024 1.00 0.00 C ATOM 0 H VAL A 32 5.273 6.370 1.415 1.00 0.00 H new ATOM 0 HA VAL A 32 7.736 6.204 2.741 1.00 0.00 H new ATOM 0 HB VAL A 32 7.317 3.874 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.916 3.694 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.617 5.200 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.625 5.237 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.826 2.668 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.574 4.168 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.190 3.425 0.464 1.00 0.00 H new ATOM 457 N HIS A 33 7.834 5.770 -0.478 1.00 0.00 N ATOM 458 CA HIS A 33 8.712 5.582 -1.628 1.00 0.00 C ATOM 459 C HIS A 33 9.394 6.893 -2.010 1.00 0.00 C ATOM 460 O HIS A 33 10.584 6.917 -2.325 1.00 0.00 O ATOM 461 CB HIS A 33 7.921 5.040 -2.818 1.00 0.00 C ATOM 462 CG HIS A 33 6.874 4.039 -2.435 1.00 0.00 C ATOM 463 ND1 HIS A 33 7.171 2.825 -1.854 1.00 0.00 N ATOM 464 CD2 HIS A 33 5.526 4.079 -2.553 1.00 0.00 C ATOM 465 CE1 HIS A 33 6.051 2.160 -1.631 1.00 0.00 C ATOM 466 NE2 HIS A 33 5.038 2.900 -2.046 1.00 0.00 N ATOM 0 H HIS A 33 6.892 6.082 -0.713 1.00 0.00 H new ATOM 0 HA HIS A 33 9.480 4.859 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.444 5.872 -3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.612 4.579 -3.524 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.109 2.492 -1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.943 4.888 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.976 1.179 -1.186 1.00 0.00 H new ATOM 474 N THR A 34 8.632 7.982 -1.980 1.00 0.00 N ATOM 475 CA THR A 34 9.162 9.295 -2.324 1.00 0.00 C ATOM 476 C THR A 34 10.389 9.630 -1.485 1.00 0.00 C ATOM 477 O THR A 34 10.306 9.736 -0.262 1.00 0.00 O ATOM 478 CB THR A 34 8.103 10.397 -2.129 1.00 0.00 C ATOM 479 OG1 THR A 34 7.913 10.652 -0.733 1.00 0.00 O ATOM 480 CG2 THR A 34 6.779 9.993 -2.761 1.00 0.00 C ATOM 0 H THR A 34 7.645 7.980 -1.721 1.00 0.00 H new ATOM 0 HA THR A 34 9.445 9.256 -3.376 1.00 0.00 H new ATOM 0 HB THR A 34 8.459 11.304 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.626 10.216 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.047 10.786 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.921 9.828 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.419 9.075 -2.297 1.00 0.00 H new ATOM 488 N GLY A 35 11.528 9.798 -2.150 1.00 0.00 N ATOM 489 CA GLY A 35 12.756 10.121 -1.448 1.00 0.00 C ATOM 490 C GLY A 35 13.895 9.190 -1.813 1.00 0.00 C ATOM 491 O GLY A 35 14.776 9.550 -2.594 1.00 0.00 O ATOM 0 H GLY A 35 11.622 9.716 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.042 11.147 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.580 10.071 -0.373 1.00 0.00 H new ATOM 495 N VAL A 36 13.879 7.987 -1.246 1.00 0.00 N ATOM 496 CA VAL A 36 14.919 7.001 -1.516 1.00 0.00 C ATOM 497 C VAL A 36 14.710 6.340 -2.874 1.00 0.00 C ATOM 498 O VAL A 36 13.579 6.073 -3.280 1.00 0.00 O ATOM 499 CB VAL A 36 14.955 5.912 -0.428 1.00 0.00 C ATOM 500 CG1 VAL A 36 16.012 4.867 -0.753 1.00 0.00 C ATOM 501 CG2 VAL A 36 15.210 6.532 0.938 1.00 0.00 C ATOM 0 H VAL A 36 13.158 7.672 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 36 15.869 7.535 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 36 13.984 5.417 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.023 4.106 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.781 4.402 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.991 5.344 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.232 5.748 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.167 7.054 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 36 14.414 7.239 1.171 1.00 0.00 H new ATOM 511 N LYS A 37 15.809 6.079 -3.574 1.00 0.00 N ATOM 512 CA LYS A 37 15.749 5.447 -4.886 1.00 0.00 C ATOM 513 C LYS A 37 16.642 4.211 -4.937 1.00 0.00 C ATOM 514 O LYS A 37 17.819 4.281 -5.290 1.00 0.00 O ATOM 515 CB LYS A 37 16.170 6.439 -5.972 1.00 0.00 C ATOM 516 CG LYS A 37 15.271 7.660 -6.063 1.00 0.00 C ATOM 517 CD LYS A 37 15.688 8.734 -5.072 1.00 0.00 C ATOM 518 CE LYS A 37 16.778 9.627 -5.643 1.00 0.00 C ATOM 519 NZ LYS A 37 16.256 10.531 -6.704 1.00 0.00 N ATOM 0 H LYS A 37 16.753 6.296 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 37 14.720 5.137 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.192 6.765 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.175 5.929 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.306 8.064 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.238 7.368 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.822 9.340 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.044 8.265 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.216 10.222 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.576 9.008 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.932 11.305 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.129 9.994 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.342 10.926 -6.404 1.00 0.00 H new ATOM 533 N PRO A 38 16.070 3.052 -4.578 1.00 0.00 N ATOM 534 CA PRO A 38 16.797 1.779 -4.577 1.00 0.00 C ATOM 535 C PRO A 38 17.122 1.295 -5.986 1.00 0.00 C ATOM 536 O PRO A 38 16.276 1.342 -6.879 1.00 0.00 O ATOM 537 CB PRO A 38 15.823 0.816 -3.893 1.00 0.00 C ATOM 538 CG PRO A 38 14.476 1.404 -4.134 1.00 0.00 C ATOM 539 CD PRO A 38 14.671 2.895 -4.147 1.00 0.00 C ATOM 0 HA PRO A 38 17.761 1.861 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.898 -0.187 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.033 0.732 -2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.062 1.056 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.776 1.109 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.981 3.385 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.502 3.331 -3.162 1.00 0.00 H new ATOM 547 N SER A 39 18.352 0.831 -6.179 1.00 0.00 N ATOM 548 CA SER A 39 18.790 0.342 -7.481 1.00 0.00 C ATOM 549 C SER A 39 18.179 -1.024 -7.782 1.00 0.00 C ATOM 550 O SER A 39 18.436 -1.999 -7.078 1.00 0.00 O ATOM 551 CB SER A 39 20.316 0.253 -7.529 1.00 0.00 C ATOM 552 OG SER A 39 20.898 1.536 -7.678 1.00 0.00 O ATOM 0 H SER A 39 19.064 0.783 -5.450 1.00 0.00 H new ATOM 0 HA SER A 39 18.451 1.047 -8.240 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.685 -0.213 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 39 20.620 -0.386 -8.358 1.00 0.00 H new ATOM 0 HG SER A 39 21.874 1.451 -7.704 1.00 0.00 H new ATOM 558 N GLY A 40 17.368 -1.084 -8.834 1.00 0.00 N ATOM 559 CA GLY A 40 16.733 -2.333 -9.210 1.00 0.00 C ATOM 560 C GLY A 40 17.288 -2.900 -10.502 1.00 0.00 C ATOM 561 O GLY A 40 18.309 -2.444 -11.017 1.00 0.00 O ATOM 0 H GLY A 40 17.140 -0.290 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 40 16.868 -3.061 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.660 -2.173 -9.318 1.00 0.00 H new ATOM 565 N PRO A 41 16.608 -3.920 -11.045 1.00 0.00 N ATOM 566 CA PRO A 41 17.021 -4.573 -12.291 1.00 0.00 C ATOM 567 C PRO A 41 16.834 -3.672 -13.507 1.00 0.00 C ATOM 568 O PRO A 41 17.732 -3.542 -14.339 1.00 0.00 O ATOM 569 CB PRO A 41 16.096 -5.789 -12.379 1.00 0.00 C ATOM 570 CG PRO A 41 14.889 -5.404 -11.594 1.00 0.00 C ATOM 571 CD PRO A 41 15.383 -4.515 -10.486 1.00 0.00 C ATOM 0 HA PRO A 41 18.081 -4.827 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.839 -6.017 -13.413 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.571 -6.678 -11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.166 -4.882 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.387 -6.284 -11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.649 -3.753 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.590 -5.082 -9.578 1.00 0.00 H new ATOM 579 N SER A 42 15.663 -3.051 -13.604 1.00 0.00 N ATOM 580 CA SER A 42 15.357 -2.164 -14.720 1.00 0.00 C ATOM 581 C SER A 42 15.652 -0.712 -14.357 1.00 0.00 C ATOM 582 O SER A 42 15.325 -0.256 -13.262 1.00 0.00 O ATOM 583 CB SER A 42 13.891 -2.312 -15.129 1.00 0.00 C ATOM 584 OG SER A 42 13.039 -1.621 -14.232 1.00 0.00 O ATOM 0 H SER A 42 14.910 -3.146 -12.923 1.00 0.00 H new ATOM 0 HA SER A 42 15.991 -2.446 -15.560 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.751 -1.926 -16.139 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.621 -3.368 -15.151 1.00 0.00 H new ATOM 0 HG SER A 42 12.107 -1.730 -14.516 1.00 0.00 H new ATOM 590 N SER A 43 16.273 0.009 -15.286 1.00 0.00 N ATOM 591 CA SER A 43 16.616 1.409 -15.063 1.00 0.00 C ATOM 592 C SER A 43 15.560 2.329 -15.668 1.00 0.00 C ATOM 593 O SER A 43 15.245 2.236 -16.854 1.00 0.00 O ATOM 594 CB SER A 43 17.987 1.721 -15.665 1.00 0.00 C ATOM 595 OG SER A 43 18.983 0.861 -15.140 1.00 0.00 O ATOM 0 H SER A 43 16.548 -0.353 -16.199 1.00 0.00 H new ATOM 0 HA SER A 43 16.651 1.583 -13.988 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.944 1.614 -16.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.251 2.758 -15.457 1.00 0.00 H new ATOM 0 HG SER A 43 19.849 1.080 -15.542 1.00 0.00 H new ATOM 601 N GLY A 44 15.017 3.219 -14.843 1.00 0.00 N ATOM 602 CA GLY A 44 14.002 4.144 -15.313 1.00 0.00 C ATOM 603 C GLY A 44 14.191 5.542 -14.758 1.00 0.00 C ATOM 604 O GLY A 44 15.253 5.831 -14.209 1.00 0.00 O ATOM 0 H GLY A 44 15.262 3.316 -13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.026 4.182 -16.402 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.017 3.773 -15.029 1.00 0.00 H new TER 608 GLY A 44 HETATM 609 ZN ZN A 201 3.414 1.635 -2.444 1.00 0.00 ZN