USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 286 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 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.00247) USER MOD Single : A 2 SER OG : rot 51:sc= 0.462 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 8 GLN : amide:sc=-0.00728 K(o=-0.0073,f=-0.96) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.271) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0.0579 (180deg=-0.00771) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.875 K(o=-0.88,f=-2.8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.857 K(o=-0.86,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot -36:sc= 0.966 USER MOD Single : A 37 SER OG : rot -61:sc= 0.215 USER MOD Single : A 40 SER OG : rot 30:sc= 0.632 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.955 -2.427 -4.388 1.00 0.00 N ATOM 2 CA GLY A 1 -20.506 -1.228 -3.705 1.00 0.00 C ATOM 3 C GLY A 1 -20.041 -1.507 -2.289 1.00 0.00 C ATOM 4 O GLY A 1 -18.995 -1.018 -1.865 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.246 -2.186 -5.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.179 -3.119 -4.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.762 -2.837 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.691 -0.776 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.318 -0.502 -3.681 1.00 0.00 H new ATOM 8 N SER A 2 -20.822 -2.295 -1.556 1.00 0.00 N ATOM 9 CA SER A 2 -20.487 -2.634 -0.178 1.00 0.00 C ATOM 10 C SER A 2 -19.345 -3.643 -0.129 1.00 0.00 C ATOM 11 O SER A 2 -19.570 -4.847 0.000 1.00 0.00 O ATOM 12 CB SER A 2 -21.713 -3.198 0.542 1.00 0.00 C ATOM 13 OG SER A 2 -22.265 -4.292 -0.171 1.00 0.00 O ATOM 0 H SER A 2 -21.690 -2.710 -1.893 1.00 0.00 H new ATOM 0 HA SER A 2 -20.165 -1.723 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.434 -3.518 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.464 -2.416 0.654 1.00 0.00 H new ATOM 0 HG SER A 2 -21.559 -4.941 -0.373 1.00 0.00 H new ATOM 19 N SER A 3 -18.117 -3.144 -0.233 1.00 0.00 N ATOM 20 CA SER A 3 -16.938 -4.002 -0.205 1.00 0.00 C ATOM 21 C SER A 3 -16.860 -4.775 1.108 1.00 0.00 C ATOM 22 O SER A 3 -17.363 -4.325 2.137 1.00 0.00 O ATOM 23 CB SER A 3 -15.670 -3.167 -0.395 1.00 0.00 C ATOM 24 OG SER A 3 -15.743 -2.391 -1.579 1.00 0.00 O ATOM 0 H SER A 3 -17.913 -2.150 -0.337 1.00 0.00 H new ATOM 0 HA SER A 3 -17.019 -4.718 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.530 -2.512 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.801 -3.824 -0.440 1.00 0.00 H new ATOM 0 HG SER A 3 -14.922 -1.865 -1.677 1.00 0.00 H new ATOM 30 N GLY A 4 -16.224 -5.942 1.064 1.00 0.00 N ATOM 31 CA GLY A 4 -16.091 -6.760 2.255 1.00 0.00 C ATOM 32 C GLY A 4 -14.957 -6.301 3.150 1.00 0.00 C ATOM 33 O GLY A 4 -13.928 -6.969 3.251 1.00 0.00 O ATOM 0 H GLY A 4 -15.799 -6.335 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.025 -6.734 2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.923 -7.797 1.963 1.00 0.00 H new ATOM 37 N SER A 5 -15.143 -5.156 3.799 1.00 0.00 N ATOM 38 CA SER A 5 -14.125 -4.606 4.686 1.00 0.00 C ATOM 39 C SER A 5 -14.377 -5.025 6.130 1.00 0.00 C ATOM 40 O SER A 5 -15.521 -5.073 6.583 1.00 0.00 O ATOM 41 CB SER A 5 -14.100 -3.080 4.583 1.00 0.00 C ATOM 42 OG SER A 5 -13.671 -2.662 3.298 1.00 0.00 O ATOM 0 H SER A 5 -15.989 -4.591 3.727 1.00 0.00 H new ATOM 0 HA SER A 5 -13.157 -5.001 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.095 -2.682 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.433 -2.672 5.343 1.00 0.00 H new ATOM 0 HG SER A 5 -13.665 -1.683 3.257 1.00 0.00 H new ATOM 48 N SER A 6 -13.301 -5.329 6.849 1.00 0.00 N ATOM 49 CA SER A 6 -13.405 -5.748 8.241 1.00 0.00 C ATOM 50 C SER A 6 -14.124 -4.692 9.075 1.00 0.00 C ATOM 51 O SER A 6 -15.138 -4.973 9.713 1.00 0.00 O ATOM 52 CB SER A 6 -12.014 -6.012 8.822 1.00 0.00 C ATOM 53 OG SER A 6 -12.101 -6.626 10.096 1.00 0.00 O ATOM 0 H SER A 6 -12.347 -5.293 6.490 1.00 0.00 H new ATOM 0 HA SER A 6 -13.986 -6.670 8.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.449 -6.652 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.467 -5.073 8.904 1.00 0.00 H new ATOM 0 HG SER A 6 -11.199 -6.786 10.445 1.00 0.00 H new ATOM 59 N GLY A 7 -13.591 -3.474 9.064 1.00 0.00 N ATOM 60 CA GLY A 7 -14.193 -2.393 9.822 1.00 0.00 C ATOM 61 C GLY A 7 -14.270 -1.103 9.031 1.00 0.00 C ATOM 62 O GLY A 7 -14.210 -1.117 7.802 1.00 0.00 O ATOM 0 H GLY A 7 -12.753 -3.217 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.196 -2.686 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.615 -2.225 10.730 1.00 0.00 H new ATOM 66 N GLN A 8 -14.405 0.015 9.737 1.00 0.00 N ATOM 67 CA GLN A 8 -14.493 1.320 9.092 1.00 0.00 C ATOM 68 C GLN A 8 -13.104 1.867 8.778 1.00 0.00 C ATOM 69 O GLN A 8 -12.266 2.010 9.669 1.00 0.00 O ATOM 70 CB GLN A 8 -15.252 2.304 9.984 1.00 0.00 C ATOM 71 CG GLN A 8 -16.750 2.323 9.731 1.00 0.00 C ATOM 72 CD GLN A 8 -17.547 2.678 10.971 1.00 0.00 C ATOM 73 OE1 GLN A 8 -17.006 3.217 11.937 1.00 0.00 O ATOM 74 NE2 GLN A 8 -18.840 2.378 10.950 1.00 0.00 N ATOM 0 H GLN A 8 -14.456 0.043 10.755 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.036 1.198 8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.071 2.049 11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.853 3.306 9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.972 3.042 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.066 1.345 9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.247 1.931 10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.427 2.594 11.756 1.00 0.00 H new ATOM 83 N LYS A 9 -12.866 2.170 7.507 1.00 0.00 N ATOM 84 CA LYS A 9 -11.579 2.702 7.075 1.00 0.00 C ATOM 85 C LYS A 9 -11.769 3.882 6.126 1.00 0.00 C ATOM 86 O LYS A 9 -11.886 3.720 4.911 1.00 0.00 O ATOM 87 CB LYS A 9 -10.757 1.609 6.388 1.00 0.00 C ATOM 88 CG LYS A 9 -10.481 0.408 7.275 1.00 0.00 C ATOM 89 CD LYS A 9 -9.708 -0.669 6.532 1.00 0.00 C ATOM 90 CE LYS A 9 -9.398 -1.854 7.433 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.182 -1.619 8.260 1.00 0.00 N ATOM 0 H LYS A 9 -13.548 2.056 6.757 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.043 3.051 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.285 1.276 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.808 2.033 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.915 0.724 8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.424 -0.003 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.287 -1.006 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.778 -0.251 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.249 -2.046 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.256 -2.746 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.867 -2.518 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.425 -1.231 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.404 -0.944 9.019 1.00 0.00 H new ATOM 105 N PRO A 10 -11.798 5.098 6.691 1.00 0.00 N ATOM 106 CA PRO A 10 -11.971 6.328 5.913 1.00 0.00 C ATOM 107 C PRO A 10 -10.751 6.648 5.056 1.00 0.00 C ATOM 108 O PRO A 10 -10.882 7.089 3.914 1.00 0.00 O ATOM 109 CB PRO A 10 -12.167 7.402 6.987 1.00 0.00 C ATOM 110 CG PRO A 10 -11.487 6.857 8.196 1.00 0.00 C ATOM 111 CD PRO A 10 -11.664 5.365 8.133 1.00 0.00 C ATOM 0 HA PRO A 10 -12.800 6.253 5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.729 8.352 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.225 7.584 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.430 7.125 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.925 7.264 9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.810 4.841 8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.546 5.041 8.685 1.00 0.00 H new ATOM 119 N TYR A 11 -9.567 6.424 5.614 1.00 0.00 N ATOM 120 CA TYR A 11 -8.323 6.690 4.900 1.00 0.00 C ATOM 121 C TYR A 11 -8.088 5.650 3.809 1.00 0.00 C ATOM 122 O TYR A 11 -7.528 4.584 4.062 1.00 0.00 O ATOM 123 CB TYR A 11 -7.144 6.700 5.874 1.00 0.00 C ATOM 124 CG TYR A 11 -7.396 7.516 7.122 1.00 0.00 C ATOM 125 CD1 TYR A 11 -8.084 6.975 8.202 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.947 8.827 7.221 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.317 7.717 9.344 1.00 0.00 C ATOM 128 CE2 TYR A 11 -7.175 9.575 8.360 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.860 9.016 9.418 1.00 0.00 C ATOM 130 OH TYR A 11 -8.090 9.759 10.553 1.00 0.00 O ATOM 0 H TYR A 11 -9.442 6.059 6.558 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.406 7.670 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.912 5.674 6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.265 7.094 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.442 5.958 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.411 9.269 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.854 7.282 10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.818 10.593 8.421 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.702 10.652 10.443 1.00 0.00 H new ATOM 140 N VAL A 12 -8.519 5.970 2.593 1.00 0.00 N ATOM 141 CA VAL A 12 -8.354 5.066 1.461 1.00 0.00 C ATOM 142 C VAL A 12 -7.270 5.565 0.512 1.00 0.00 C ATOM 143 O VAL A 12 -7.181 6.760 0.227 1.00 0.00 O ATOM 144 CB VAL A 12 -9.670 4.901 0.678 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.469 3.986 -0.520 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.768 4.369 1.588 1.00 0.00 C ATOM 0 H VAL A 12 -8.985 6.849 2.367 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.059 4.099 1.869 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.977 5.879 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.410 3.882 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.716 4.413 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.137 3.006 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.691 4.258 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.471 3.400 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.930 5.067 2.409 1.00 0.00 H new ATOM 156 N CYS A 13 -6.448 4.642 0.025 1.00 0.00 N ATOM 157 CA CYS A 13 -5.368 4.987 -0.893 1.00 0.00 C ATOM 158 C CYS A 13 -5.912 5.267 -2.291 1.00 0.00 C ATOM 159 O CYS A 13 -6.664 4.467 -2.846 1.00 0.00 O ATOM 160 CB CYS A 13 -4.339 3.857 -0.950 1.00 0.00 C ATOM 161 SG CYS A 13 -2.656 4.405 -1.379 1.00 0.00 S ATOM 0 H CYS A 13 -6.509 3.649 0.250 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.884 5.891 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.311 3.356 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.667 3.118 -1.682 1.00 0.00 H new ATOM 166 N ASN A 14 -5.524 6.406 -2.854 1.00 0.00 N ATOM 167 CA ASN A 14 -5.972 6.792 -4.187 1.00 0.00 C ATOM 168 C ASN A 14 -5.054 6.212 -5.258 1.00 0.00 C ATOM 169 O ASN A 14 -5.278 6.405 -6.453 1.00 0.00 O ATOM 170 CB ASN A 14 -6.019 8.316 -4.311 1.00 0.00 C ATOM 171 CG ASN A 14 -7.171 8.924 -3.533 1.00 0.00 C ATOM 172 OD1 ASN A 14 -7.089 9.100 -2.317 1.00 0.00 O ATOM 173 ND2 ASN A 14 -8.252 9.248 -4.233 1.00 0.00 N ATOM 0 H ASN A 14 -4.900 7.078 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.975 6.391 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.080 8.736 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.109 8.590 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.058 9.661 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.276 9.084 -5.239 1.00 0.00 H new ATOM 180 N GLU A 15 -4.020 5.499 -4.822 1.00 0.00 N ATOM 181 CA GLU A 15 -3.068 4.891 -5.744 1.00 0.00 C ATOM 182 C GLU A 15 -3.490 3.468 -6.101 1.00 0.00 C ATOM 183 O GLU A 15 -3.472 3.078 -7.269 1.00 0.00 O ATOM 184 CB GLU A 15 -1.666 4.881 -5.131 1.00 0.00 C ATOM 185 CG GLU A 15 -0.935 6.206 -5.262 1.00 0.00 C ATOM 186 CD GLU A 15 -1.772 7.382 -4.799 1.00 0.00 C ATOM 187 OE1 GLU A 15 -2.237 7.361 -3.640 1.00 0.00 O ATOM 188 OE2 GLU A 15 -1.962 8.325 -5.596 1.00 0.00 O ATOM 0 H GLU A 15 -3.820 5.328 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.053 5.487 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.742 4.621 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.075 4.101 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.015 6.168 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.647 6.357 -6.303 1.00 0.00 H new ATOM 195 N CYS A 16 -3.867 2.697 -5.086 1.00 0.00 N ATOM 196 CA CYS A 16 -4.292 1.318 -5.291 1.00 0.00 C ATOM 197 C CYS A 16 -5.726 1.113 -4.810 1.00 0.00 C ATOM 198 O CYS A 16 -6.517 0.427 -5.456 1.00 0.00 O ATOM 199 CB CYS A 16 -3.354 0.359 -4.555 1.00 0.00 C ATOM 200 SG CYS A 16 -3.194 0.697 -2.772 1.00 0.00 S ATOM 0 H CYS A 16 -3.887 3.004 -4.114 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.252 1.107 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.715 -0.660 -4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.367 0.410 -5.014 1.00 0.00 H new ATOM 205 N GLY A 17 -6.054 1.715 -3.671 1.00 0.00 N ATOM 206 CA GLY A 17 -7.391 1.587 -3.122 1.00 0.00 C ATOM 207 C GLY A 17 -7.406 0.860 -1.792 1.00 0.00 C ATOM 208 O GLY A 17 -8.393 0.213 -1.440 1.00 0.00 O ATOM 0 H GLY A 17 -5.417 2.289 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.824 2.579 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.022 1.052 -3.832 1.00 0.00 H new ATOM 212 N LYS A 18 -6.308 0.963 -1.051 1.00 0.00 N ATOM 213 CA LYS A 18 -6.197 0.310 0.248 1.00 0.00 C ATOM 214 C LYS A 18 -6.731 1.210 1.357 1.00 0.00 C ATOM 215 O LYS A 18 -6.335 2.370 1.473 1.00 0.00 O ATOM 216 CB LYS A 18 -4.739 -0.058 0.533 1.00 0.00 C ATOM 217 CG LYS A 18 -4.582 -1.187 1.537 1.00 0.00 C ATOM 218 CD LYS A 18 -3.261 -1.915 1.355 1.00 0.00 C ATOM 219 CE LYS A 18 -3.175 -3.146 2.245 1.00 0.00 C ATOM 220 NZ LYS A 18 -3.102 -2.783 3.687 1.00 0.00 N ATOM 0 H LYS A 18 -5.482 1.493 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.797 -0.600 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.256 -0.344 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.217 0.823 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.641 -0.786 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.406 -1.892 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.148 -2.210 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.437 -1.240 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.045 -3.780 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.296 -3.731 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.289 -3.262 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.989 -1.753 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.977 -3.080 4.164 1.00 0.00 H new ATOM 234 N ALA A 19 -7.632 0.669 2.170 1.00 0.00 N ATOM 235 CA ALA A 19 -8.218 1.422 3.271 1.00 0.00 C ATOM 236 C ALA A 19 -7.470 1.160 4.575 1.00 0.00 C ATOM 237 O ALA A 19 -7.050 0.035 4.845 1.00 0.00 O ATOM 238 CB ALA A 19 -9.691 1.073 3.426 1.00 0.00 C ATOM 0 H ALA A 19 -7.972 -0.289 2.086 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.131 2.483 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.115 1.643 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.222 1.318 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.793 0.007 3.631 1.00 0.00 H new ATOM 244 N PHE A 20 -7.308 2.205 5.379 1.00 0.00 N ATOM 245 CA PHE A 20 -6.609 2.088 6.654 1.00 0.00 C ATOM 246 C PHE A 20 -7.395 2.771 7.769 1.00 0.00 C ATOM 247 O PHE A 20 -7.505 3.996 7.805 1.00 0.00 O ATOM 248 CB PHE A 20 -5.211 2.699 6.551 1.00 0.00 C ATOM 249 CG PHE A 20 -4.404 2.162 5.403 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.646 2.591 4.109 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.405 1.226 5.620 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.905 2.099 3.050 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.661 0.731 4.565 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.912 1.167 3.279 1.00 0.00 C ATOM 0 H PHE A 20 -7.651 3.143 5.171 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.517 1.029 6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.303 3.780 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.673 2.514 7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.423 3.318 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.206 0.880 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.103 2.443 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.884 0.004 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.333 0.780 2.454 1.00 0.00 H new ATOM 264 N GLY A 21 -7.940 1.969 8.679 1.00 0.00 N ATOM 265 CA GLY A 21 -8.709 2.513 9.782 1.00 0.00 C ATOM 266 C GLY A 21 -8.030 3.703 10.430 1.00 0.00 C ATOM 267 O GLY A 21 -8.677 4.502 11.110 1.00 0.00 O ATOM 0 H GLY A 21 -7.862 0.952 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.694 2.812 9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.865 1.736 10.530 1.00 0.00 H new ATOM 271 N LEU A 22 -6.724 3.823 10.222 1.00 0.00 N ATOM 272 CA LEU A 22 -5.956 4.925 10.792 1.00 0.00 C ATOM 273 C LEU A 22 -5.352 5.794 9.693 1.00 0.00 C ATOM 274 O LEU A 22 -5.189 5.352 8.556 1.00 0.00 O ATOM 275 CB LEU A 22 -4.848 4.385 11.698 1.00 0.00 C ATOM 276 CG LEU A 22 -5.204 4.237 13.178 1.00 0.00 C ATOM 277 CD1 LEU A 22 -4.046 3.619 13.946 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.582 5.585 13.773 1.00 0.00 C ATOM 0 H LEU A 22 -6.174 3.171 9.663 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.634 5.540 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.540 3.410 11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.985 5.046 11.617 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.064 3.572 13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.317 3.521 14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.822 2.634 13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.167 4.258 13.856 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.832 5.460 14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.742 6.273 13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.443 5.989 13.241 1.00 0.00 H new ATOM 290 N LYS A 23 -5.019 7.032 10.042 1.00 0.00 N ATOM 291 CA LYS A 23 -4.429 7.963 9.087 1.00 0.00 C ATOM 292 C LYS A 23 -2.984 7.585 8.780 1.00 0.00 C ATOM 293 O LYS A 23 -2.663 7.180 7.663 1.00 0.00 O ATOM 294 CB LYS A 23 -4.489 9.392 9.634 1.00 0.00 C ATOM 295 CG LYS A 23 -4.142 10.452 8.603 1.00 0.00 C ATOM 296 CD LYS A 23 -4.315 11.853 9.165 1.00 0.00 C ATOM 297 CE LYS A 23 -4.100 12.913 8.095 1.00 0.00 C ATOM 298 NZ LYS A 23 -4.617 14.243 8.521 1.00 0.00 N ATOM 0 H LYS A 23 -5.148 7.414 10.979 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.004 7.909 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.491 9.584 10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.804 9.479 10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.112 10.316 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.777 10.330 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.315 11.957 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.609 12.009 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.036 12.992 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.598 12.607 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.452 14.938 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.637 14.174 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.124 14.547 9.385 1.00 0.00 H new ATOM 312 N SER A 24 -2.117 7.719 9.779 1.00 0.00 N ATOM 313 CA SER A 24 -0.705 7.393 9.614 1.00 0.00 C ATOM 314 C SER A 24 -0.536 6.074 8.867 1.00 0.00 C ATOM 315 O SER A 24 0.352 5.935 8.026 1.00 0.00 O ATOM 316 CB SER A 24 -0.016 7.312 10.978 1.00 0.00 C ATOM 317 OG SER A 24 1.216 6.618 10.886 1.00 0.00 O ATOM 0 H SER A 24 -2.367 8.051 10.710 1.00 0.00 H new ATOM 0 HA SER A 24 -0.241 8.185 9.027 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.157 8.317 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.669 6.807 11.690 1.00 0.00 H new ATOM 0 HG SER A 24 1.637 6.581 11.770 1.00 0.00 H new ATOM 323 N GLN A 25 -1.394 5.109 9.180 1.00 0.00 N ATOM 324 CA GLN A 25 -1.339 3.800 8.539 1.00 0.00 C ATOM 325 C GLN A 25 -1.283 3.940 7.022 1.00 0.00 C ATOM 326 O GLN A 25 -0.512 3.250 6.353 1.00 0.00 O ATOM 327 CB GLN A 25 -2.553 2.961 8.942 1.00 0.00 C ATOM 328 CG GLN A 25 -2.540 2.532 10.400 1.00 0.00 C ATOM 329 CD GLN A 25 -1.295 1.749 10.767 1.00 0.00 C ATOM 330 OE1 GLN A 25 -0.552 1.297 9.895 1.00 0.00 O ATOM 331 NE2 GLN A 25 -1.059 1.585 12.064 1.00 0.00 N ATOM 0 H GLN A 25 -2.136 5.208 9.873 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.432 3.297 8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.460 3.534 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.596 2.073 8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.610 3.415 11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.421 1.923 10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.701 1.977 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.235 1.067 12.371 1.00 0.00 H new ATOM 340 N LEU A 26 -2.104 4.835 6.484 1.00 0.00 N ATOM 341 CA LEU A 26 -2.148 5.065 5.044 1.00 0.00 C ATOM 342 C LEU A 26 -0.927 5.852 4.581 1.00 0.00 C ATOM 343 O LEU A 26 -0.352 5.564 3.530 1.00 0.00 O ATOM 344 CB LEU A 26 -3.427 5.815 4.666 1.00 0.00 C ATOM 345 CG LEU A 26 -3.516 6.303 3.220 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.668 5.127 2.268 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.674 7.277 3.057 1.00 0.00 C ATOM 0 H LEU A 26 -2.748 5.413 7.023 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.142 4.096 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.278 5.163 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.528 6.677 5.326 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.591 6.825 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.730 5.494 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.807 4.466 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.577 4.577 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.723 7.614 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.607 6.780 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.522 8.135 3.712 1.00 0.00 H new ATOM 359 N ILE A 27 -0.535 6.846 5.371 1.00 0.00 N ATOM 360 CA ILE A 27 0.620 7.672 5.043 1.00 0.00 C ATOM 361 C ILE A 27 1.860 6.816 4.808 1.00 0.00 C ATOM 362 O ILE A 27 2.604 7.033 3.851 1.00 0.00 O ATOM 363 CB ILE A 27 0.918 8.692 6.158 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.355 9.452 6.537 1.00 0.00 C ATOM 365 CG2 ILE A 27 2.007 9.657 5.717 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.124 10.546 7.556 1.00 0.00 C ATOM 0 H ILE A 27 -1.000 7.099 6.243 1.00 0.00 H new ATOM 0 HA ILE A 27 0.373 8.209 4.127 1.00 0.00 H new ATOM 0 HB ILE A 27 1.273 8.154 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.789 9.890 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.086 8.746 6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.206 10.371 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.917 9.101 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.680 10.192 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.069 11.042 7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.281 10.112 8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.583 11.273 7.156 1.00 0.00 H new ATOM 378 N ILE A 28 2.074 5.842 5.686 1.00 0.00 N ATOM 379 CA ILE A 28 3.222 4.951 5.573 1.00 0.00 C ATOM 380 C ILE A 28 3.099 4.049 4.349 1.00 0.00 C ATOM 381 O ILE A 28 4.098 3.687 3.728 1.00 0.00 O ATOM 382 CB ILE A 28 3.381 4.075 6.829 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.493 4.951 8.078 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.600 3.174 6.696 1.00 0.00 C ATOM 385 CD1 ILE A 28 2.954 4.293 9.328 1.00 0.00 C ATOM 0 H ILE A 28 1.468 5.650 6.483 1.00 0.00 H new ATOM 0 HA ILE A 28 4.103 5.584 5.468 1.00 0.00 H new ATOM 0 HB ILE A 28 2.497 3.445 6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.540 5.211 8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.955 5.883 7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.699 2.561 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.482 2.528 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.494 3.786 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.066 4.972 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.899 4.057 9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.508 3.375 9.524 1.00 0.00 H new ATOM 397 N HIS A 29 1.865 3.690 4.007 1.00 0.00 N ATOM 398 CA HIS A 29 1.610 2.832 2.856 1.00 0.00 C ATOM 399 C HIS A 29 1.860 3.584 1.552 1.00 0.00 C ATOM 400 O HIS A 29 2.621 3.128 0.699 1.00 0.00 O ATOM 401 CB HIS A 29 0.174 2.310 2.891 1.00 0.00 C ATOM 402 CG HIS A 29 -0.257 1.656 1.614 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.101 0.369 1.270 1.00 0.00 N ATOM 404 CD2 HIS A 29 -1.022 2.117 0.597 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.424 0.068 0.095 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.110 1.112 -0.334 1.00 0.00 N ATOM 0 H HIS A 29 1.027 3.980 4.511 1.00 0.00 H new ATOM 0 HA HIS A 29 2.297 1.987 2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.076 1.594 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.500 3.138 3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.478 3.094 0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.311 -0.871 -0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.622 1.163 -1.215 1.00 0.00 H new ATOM 414 N GLU A 30 1.213 4.736 1.406 1.00 0.00 N ATOM 415 CA GLU A 30 1.364 5.548 0.204 1.00 0.00 C ATOM 416 C GLU A 30 2.837 5.717 -0.156 1.00 0.00 C ATOM 417 O GLU A 30 3.176 6.034 -1.297 1.00 0.00 O ATOM 418 CB GLU A 30 0.716 6.920 0.405 1.00 0.00 C ATOM 419 CG GLU A 30 -0.762 6.851 0.748 1.00 0.00 C ATOM 420 CD GLU A 30 -1.286 8.146 1.336 1.00 0.00 C ATOM 421 OE1 GLU A 30 -0.515 8.836 2.034 1.00 0.00 O ATOM 422 OE2 GLU A 30 -2.469 8.470 1.098 1.00 0.00 O ATOM 0 H GLU A 30 0.580 5.128 2.104 1.00 0.00 H new ATOM 0 HA GLU A 30 0.864 5.034 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.241 7.447 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.842 7.509 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.329 6.609 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.929 6.041 1.458 1.00 0.00 H new ATOM 429 N ARG A 31 3.708 5.505 0.825 1.00 0.00 N ATOM 430 CA ARG A 31 5.145 5.635 0.612 1.00 0.00 C ATOM 431 C ARG A 31 5.605 4.755 -0.546 1.00 0.00 C ATOM 432 O ARG A 31 6.541 5.101 -1.268 1.00 0.00 O ATOM 433 CB ARG A 31 5.906 5.261 1.885 1.00 0.00 C ATOM 434 CG ARG A 31 5.641 6.198 3.051 1.00 0.00 C ATOM 435 CD ARG A 31 6.419 5.781 4.290 1.00 0.00 C ATOM 436 NE ARG A 31 7.849 6.044 4.152 1.00 0.00 N ATOM 437 CZ ARG A 31 8.382 7.260 4.210 1.00 0.00 C ATOM 438 NH1 ARG A 31 7.607 8.318 4.402 1.00 0.00 N ATOM 439 NH2 ARG A 31 9.692 7.418 4.076 1.00 0.00 N ATOM 0 H ARG A 31 3.444 5.243 1.775 1.00 0.00 H new ATOM 0 HA ARG A 31 5.358 6.674 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.633 4.247 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.975 5.255 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.917 7.215 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.575 6.208 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.034 6.317 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.262 4.719 4.476 1.00 0.00 H new ATOM 0 HE ARG A 31 8.473 5.251 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.599 8.200 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.018 9.250 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.291 6.606 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.100 8.352 4.121 1.00 0.00 H new ATOM 453 N ILE A 32 4.942 3.616 -0.717 1.00 0.00 N ATOM 454 CA ILE A 32 5.283 2.688 -1.787 1.00 0.00 C ATOM 455 C ILE A 32 5.167 3.356 -3.153 1.00 0.00 C ATOM 456 O ILE A 32 5.929 3.053 -4.071 1.00 0.00 O ATOM 457 CB ILE A 32 4.379 1.441 -1.760 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.947 1.814 -2.149 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.408 0.796 -0.383 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.026 0.621 -2.281 1.00 0.00 C ATOM 0 H ILE A 32 4.166 3.314 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 32 6.316 2.382 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 32 4.757 0.721 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.541 2.495 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.965 2.355 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.764 -0.084 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.429 0.500 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.052 1.509 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.028 0.961 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.408 -0.050 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.977 0.092 -1.329 1.00 0.00 H new ATOM 472 N HIS A 33 4.209 4.269 -3.280 1.00 0.00 N ATOM 473 CA HIS A 33 3.994 4.983 -4.533 1.00 0.00 C ATOM 474 C HIS A 33 4.872 6.229 -4.606 1.00 0.00 C ATOM 475 O HIS A 33 5.495 6.503 -5.631 1.00 0.00 O ATOM 476 CB HIS A 33 2.522 5.372 -4.677 1.00 0.00 C ATOM 477 CG HIS A 33 1.576 4.236 -4.440 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.498 3.137 -5.270 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.666 4.031 -3.460 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.579 2.306 -4.810 1.00 0.00 C ATOM 481 NE2 HIS A 33 0.060 2.825 -3.712 1.00 0.00 N ATOM 0 H HIS A 33 3.569 4.532 -2.530 1.00 0.00 H new ATOM 0 HA HIS A 33 4.268 4.319 -5.353 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.296 6.174 -3.974 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.356 5.769 -5.678 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.061 2.989 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.455 4.693 -2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.300 1.363 -5.256 1.00 0.00 H new ATOM 489 N THR A 34 4.915 6.981 -3.510 1.00 0.00 N ATOM 490 CA THR A 34 5.714 8.198 -3.450 1.00 0.00 C ATOM 491 C THR A 34 7.081 7.991 -4.093 1.00 0.00 C ATOM 492 O THR A 34 7.656 8.917 -4.664 1.00 0.00 O ATOM 493 CB THR A 34 5.908 8.672 -1.997 1.00 0.00 C ATOM 494 OG1 THR A 34 6.729 7.740 -1.284 1.00 0.00 O ATOM 495 CG2 THR A 34 4.569 8.819 -1.292 1.00 0.00 C ATOM 0 H THR A 34 4.406 6.768 -2.652 1.00 0.00 H new ATOM 0 HA THR A 34 5.168 8.962 -4.003 1.00 0.00 H new ATOM 0 HB THR A 34 6.398 9.646 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.531 6.830 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.732 9.155 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.958 9.550 -1.821 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.056 7.857 -1.281 1.00 0.00 H new ATOM 503 N GLY A 35 7.596 6.769 -3.996 1.00 0.00 N ATOM 504 CA GLY A 35 8.892 6.463 -4.573 1.00 0.00 C ATOM 505 C GLY A 35 9.143 7.215 -5.865 1.00 0.00 C ATOM 506 O GLY A 35 9.707 8.309 -5.854 1.00 0.00 O ATOM 0 H GLY A 35 7.139 5.986 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.674 6.710 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.959 5.391 -4.761 1.00 0.00 H new ATOM 510 N GLU A 36 8.726 6.626 -6.981 1.00 0.00 N ATOM 511 CA GLU A 36 8.912 7.247 -8.287 1.00 0.00 C ATOM 512 C GLU A 36 7.785 8.231 -8.588 1.00 0.00 C ATOM 513 O GLU A 36 7.371 8.385 -9.737 1.00 0.00 O ATOM 514 CB GLU A 36 8.977 6.179 -9.381 1.00 0.00 C ATOM 515 CG GLU A 36 7.655 5.467 -9.615 1.00 0.00 C ATOM 516 CD GLU A 36 7.492 4.237 -8.744 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.973 4.372 -7.616 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.885 3.138 -9.190 1.00 0.00 O ATOM 0 H GLU A 36 8.257 5.720 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 36 9.854 7.795 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.300 6.644 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.735 5.442 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.835 6.158 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.583 5.177 -10.663 1.00 0.00 H new ATOM 525 N SER A 37 7.291 8.892 -7.546 1.00 0.00 N ATOM 526 CA SER A 37 6.209 9.858 -7.697 1.00 0.00 C ATOM 527 C SER A 37 5.220 9.402 -8.766 1.00 0.00 C ATOM 528 O SER A 37 4.759 10.200 -9.581 1.00 0.00 O ATOM 529 CB SER A 37 6.771 11.234 -8.059 1.00 0.00 C ATOM 530 OG SER A 37 5.780 12.239 -7.929 1.00 0.00 O ATOM 0 H SER A 37 7.623 8.776 -6.588 1.00 0.00 H new ATOM 0 HA SER A 37 5.682 9.929 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.617 11.467 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.147 11.219 -9.082 1.00 0.00 H new ATOM 0 HG SER A 37 5.039 12.048 -8.541 1.00 0.00 H new ATOM 536 N GLY A 38 4.899 8.112 -8.755 1.00 0.00 N ATOM 537 CA GLY A 38 3.967 7.571 -9.728 1.00 0.00 C ATOM 538 C GLY A 38 2.630 8.286 -9.709 1.00 0.00 C ATOM 539 O GLY A 38 2.057 8.548 -8.652 1.00 0.00 O ATOM 0 H GLY A 38 5.267 7.432 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.402 7.647 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.812 6.511 -9.528 1.00 0.00 H new ATOM 543 N PRO A 39 2.114 8.614 -10.903 1.00 0.00 N ATOM 544 CA PRO A 39 0.831 9.308 -11.047 1.00 0.00 C ATOM 545 C PRO A 39 -0.352 8.424 -10.669 1.00 0.00 C ATOM 546 O PRO A 39 -0.233 7.200 -10.621 1.00 0.00 O ATOM 547 CB PRO A 39 0.783 9.659 -12.536 1.00 0.00 C ATOM 548 CG PRO A 39 1.654 8.644 -13.193 1.00 0.00 C ATOM 549 CD PRO A 39 2.743 8.332 -12.204 1.00 0.00 C ATOM 0 HA PRO A 39 0.760 10.174 -10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.236 9.615 -12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.148 10.670 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.087 7.748 -13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.070 9.030 -14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.067 7.294 -12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.624 8.953 -12.367 1.00 0.00 H new ATOM 557 N SER A 40 -1.493 9.052 -10.402 1.00 0.00 N ATOM 558 CA SER A 40 -2.697 8.321 -10.025 1.00 0.00 C ATOM 559 C SER A 40 -3.237 7.519 -11.205 1.00 0.00 C ATOM 560 O SER A 40 -3.611 8.081 -12.234 1.00 0.00 O ATOM 561 CB SER A 40 -3.769 9.289 -9.519 1.00 0.00 C ATOM 562 OG SER A 40 -4.228 10.131 -10.561 1.00 0.00 O ATOM 0 H SER A 40 -1.609 10.065 -10.440 1.00 0.00 H new ATOM 0 HA SER A 40 -2.436 7.628 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.606 8.726 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.363 9.895 -8.709 1.00 0.00 H new ATOM 0 HG SER A 40 -4.158 9.660 -11.417 1.00 0.00 H new ATOM 568 N SER A 41 -3.275 6.199 -11.047 1.00 0.00 N ATOM 569 CA SER A 41 -3.766 5.317 -12.100 1.00 0.00 C ATOM 570 C SER A 41 -4.992 4.541 -11.630 1.00 0.00 C ATOM 571 O SER A 41 -5.119 3.344 -11.886 1.00 0.00 O ATOM 572 CB SER A 41 -2.667 4.345 -12.532 1.00 0.00 C ATOM 573 OG SER A 41 -2.313 3.471 -11.474 1.00 0.00 O ATOM 0 H SER A 41 -2.972 5.717 -10.201 1.00 0.00 H new ATOM 0 HA SER A 41 -4.053 5.933 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.008 3.764 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.789 4.904 -12.855 1.00 0.00 H new ATOM 0 HG SER A 41 -1.610 2.859 -11.777 1.00 0.00 H new ATOM 579 N GLY A 42 -5.895 5.232 -10.940 1.00 0.00 N ATOM 580 CA GLY A 42 -7.099 4.592 -10.445 1.00 0.00 C ATOM 581 C GLY A 42 -7.223 4.678 -8.936 1.00 0.00 C ATOM 582 O GLY A 42 -8.217 4.203 -8.389 1.00 0.00 O ATOM 0 H GLY A 42 -5.814 6.224 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.970 5.058 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.101 3.545 -10.748 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.710 2.407 -2.226 1.00 0.00 ZN