USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 Single : A 1 GLY N :NH3+ -127:sc= 0.0552 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.707 F(o=-1,f=0.71) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.82) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.498 USER MOD Single : A 25 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.235 USER MOD Single : A 31 ASN : amide:sc= -0.806 X(o=-0.81,f=-0.83) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.0373 (180deg=-0.298) USER MOD Single : A 36 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.354 -0.685 0.357 1.00 0.00 N ATOM 2 CA GLY A 1 -21.937 0.460 1.209 1.00 0.00 C ATOM 3 C GLY A 1 -21.011 1.391 0.481 1.00 0.00 C ATOM 4 O GLY A 1 -20.957 1.396 -0.749 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.392 -0.751 0.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.008 -0.540 -0.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.954 -1.566 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.820 1.009 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.444 0.085 2.106 1.00 0.00 H new ATOM 10 N ASP A 2 -20.279 2.189 1.241 1.00 0.00 N ATOM 11 CA ASP A 2 -19.346 3.149 0.659 1.00 0.00 C ATOM 12 C ASP A 2 -18.274 2.437 -0.157 1.00 0.00 C ATOM 13 O ASP A 2 -17.387 1.789 0.388 1.00 0.00 O ATOM 14 CB ASP A 2 -18.693 3.985 1.759 1.00 0.00 C ATOM 15 CG ASP A 2 -17.968 3.133 2.782 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.278 1.925 2.871 1.00 0.00 O ATOM 17 OD2 ASP A 2 -17.093 3.671 3.492 1.00 0.00 O ATOM 0 H ASP A 2 -20.310 2.194 2.261 1.00 0.00 H new ATOM 0 HA ASP A 2 -19.906 3.807 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.989 4.685 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.457 4.579 2.261 1.00 0.00 H new ATOM 22 N ASN A 3 -18.364 2.575 -1.458 1.00 0.00 N ATOM 23 CA ASN A 3 -17.400 1.946 -2.359 1.00 0.00 C ATOM 24 C ASN A 3 -16.644 2.997 -3.151 1.00 0.00 C ATOM 25 O ASN A 3 -16.852 3.146 -4.356 1.00 0.00 O ATOM 26 CB ASN A 3 -18.111 0.991 -3.295 1.00 0.00 C ATOM 27 CG ASN A 3 -19.336 1.600 -3.933 1.00 0.00 C ATOM 28 OD1 ASN A 3 -20.509 1.091 -3.594 1.00 0.00 O flip ATOM 29 ND2 ASN A 3 -19.236 2.522 -4.739 1.00 0.00 N flip ATOM 0 H ASN A 3 -19.091 3.115 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 3 -16.681 1.385 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -17.420 0.673 -4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -18.401 0.097 -2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -18.316 2.892 -4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -20.073 2.917 -5.168 1.00 0.00 H new ATOM 36 N LYS A 4 -15.758 3.725 -2.485 1.00 0.00 N ATOM 37 CA LYS A 4 -14.971 4.763 -3.123 1.00 0.00 C ATOM 38 C LYS A 4 -14.129 4.179 -4.260 1.00 0.00 C ATOM 39 O LYS A 4 -13.170 3.447 -4.014 1.00 0.00 O ATOM 40 CB LYS A 4 -14.056 5.451 -2.115 1.00 0.00 C ATOM 41 CG LYS A 4 -13.574 6.819 -2.555 1.00 0.00 C ATOM 42 CD LYS A 4 -14.710 7.828 -2.596 1.00 0.00 C ATOM 43 CE LYS A 4 -14.575 8.776 -3.764 1.00 0.00 C ATOM 44 NZ LYS A 4 -13.948 10.069 -3.374 1.00 0.00 N ATOM 0 H LYS A 4 -15.567 3.610 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.663 5.499 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.586 5.551 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.191 4.814 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.800 7.169 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.118 6.744 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.662 7.301 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.725 8.396 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.976 8.305 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.560 8.967 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.877 10.686 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.532 10.533 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.997 9.892 -2.992 1.00 0.00 H new ATOM 58 N PRO A 5 -14.471 4.493 -5.521 1.00 0.00 N ATOM 59 CA PRO A 5 -13.735 3.990 -6.688 1.00 0.00 C ATOM 60 C PRO A 5 -12.345 4.611 -6.810 1.00 0.00 C ATOM 61 O PRO A 5 -12.210 5.798 -7.111 1.00 0.00 O ATOM 62 CB PRO A 5 -14.610 4.412 -7.870 1.00 0.00 C ATOM 63 CG PRO A 5 -15.362 5.601 -7.378 1.00 0.00 C ATOM 64 CD PRO A 5 -15.600 5.358 -5.913 1.00 0.00 C ATOM 0 HA PRO A 5 -13.564 2.915 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.005 4.659 -8.742 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.286 3.611 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.792 6.517 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.304 5.717 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.607 6.290 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.559 4.871 -5.737 1.00 0.00 H new ATOM 72 N PRO A 6 -11.284 3.814 -6.573 1.00 0.00 N ATOM 73 CA PRO A 6 -9.903 4.302 -6.659 1.00 0.00 C ATOM 74 C PRO A 6 -9.487 4.616 -8.092 1.00 0.00 C ATOM 75 O PRO A 6 -10.182 4.255 -9.045 1.00 0.00 O ATOM 76 CB PRO A 6 -9.078 3.136 -6.109 1.00 0.00 C ATOM 77 CG PRO A 6 -9.917 1.931 -6.350 1.00 0.00 C ATOM 78 CD PRO A 6 -11.343 2.386 -6.212 1.00 0.00 C ATOM 0 HA PRO A 6 -9.767 5.235 -6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.117 3.057 -6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.868 3.266 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.733 1.519 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.687 1.145 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.007 1.831 -6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.714 2.243 -5.197 1.00 0.00 H new ATOM 86 N LYS A 7 -8.353 5.289 -8.243 1.00 0.00 N ATOM 87 CA LYS A 7 -7.845 5.654 -9.561 1.00 0.00 C ATOM 88 C LYS A 7 -7.004 4.525 -10.151 1.00 0.00 C ATOM 89 O LYS A 7 -6.116 3.986 -9.488 1.00 0.00 O ATOM 90 CB LYS A 7 -7.011 6.931 -9.478 1.00 0.00 C ATOM 91 CG LYS A 7 -5.887 6.860 -8.458 1.00 0.00 C ATOM 92 CD LYS A 7 -6.292 7.487 -7.131 1.00 0.00 C ATOM 93 CE LYS A 7 -5.689 6.736 -5.953 1.00 0.00 C ATOM 94 NZ LYS A 7 -6.342 7.113 -4.666 1.00 0.00 N ATOM 0 H LYS A 7 -7.766 5.594 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.700 5.830 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.586 7.142 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.665 7.766 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.606 5.819 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.008 7.372 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.968 8.527 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.379 7.489 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.794 5.663 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.621 6.947 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.905 6.581 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.221 8.133 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.356 6.888 -4.712 1.00 0.00 H new ATOM 108 N LYS A 8 -7.295 4.168 -11.398 1.00 0.00 N ATOM 109 CA LYS A 8 -6.565 3.102 -12.077 1.00 0.00 C ATOM 110 C LYS A 8 -5.528 3.677 -13.035 1.00 0.00 C ATOM 111 O LYS A 8 -5.484 4.885 -13.264 1.00 0.00 O ATOM 112 CB LYS A 8 -7.526 2.194 -12.840 1.00 0.00 C ATOM 113 CG LYS A 8 -8.875 2.013 -12.158 1.00 0.00 C ATOM 114 CD LYS A 8 -9.902 3.008 -12.677 1.00 0.00 C ATOM 115 CE LYS A 8 -10.798 2.383 -13.732 1.00 0.00 C ATOM 116 NZ LYS A 8 -11.492 3.415 -14.553 1.00 0.00 N ATOM 0 H LYS A 8 -8.030 4.600 -11.958 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.050 2.514 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.686 2.606 -13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.061 1.217 -12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.234 0.998 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.759 2.137 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.511 3.369 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.391 3.874 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.202 1.743 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.538 1.745 -13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.094 2.948 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.081 4.010 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.786 4.008 -15.035 1.00 0.00 H new ATOM 130 N GLY A 9 -4.693 2.802 -13.588 1.00 0.00 N ATOM 131 CA GLY A 9 -3.669 3.243 -14.516 1.00 0.00 C ATOM 132 C GLY A 9 -2.622 4.117 -13.850 1.00 0.00 C ATOM 133 O GLY A 9 -2.476 5.289 -14.203 1.00 0.00 O ATOM 0 H GLY A 9 -4.708 1.798 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.184 2.373 -14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.135 3.796 -15.331 1.00 0.00 H new ATOM 137 N PRO A 10 -1.870 3.577 -12.878 1.00 0.00 N ATOM 138 CA PRO A 10 -0.832 4.329 -12.165 1.00 0.00 C ATOM 139 C PRO A 10 0.366 4.633 -13.057 1.00 0.00 C ATOM 140 O PRO A 10 0.633 3.915 -14.017 1.00 0.00 O ATOM 141 CB PRO A 10 -0.432 3.394 -11.025 1.00 0.00 C ATOM 142 CG PRO A 10 -0.762 2.027 -11.519 1.00 0.00 C ATOM 143 CD PRO A 10 -1.980 2.188 -12.392 1.00 0.00 C ATOM 0 HA PRO A 10 -1.189 5.301 -11.824 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.629 3.485 -10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.979 3.627 -10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.070 1.604 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.963 1.349 -10.689 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.982 1.473 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.901 2.030 -11.830 1.00 0.00 H new ATOM 151 N PRO A 11 1.102 5.709 -12.740 1.00 0.00 N ATOM 152 CA PRO A 11 2.265 6.104 -13.513 1.00 0.00 C ATOM 153 C PRO A 11 3.424 5.129 -13.341 1.00 0.00 C ATOM 154 O PRO A 11 4.483 5.489 -12.832 1.00 0.00 O ATOM 155 CB PRO A 11 2.626 7.476 -12.937 1.00 0.00 C ATOM 156 CG PRO A 11 2.082 7.454 -11.548 1.00 0.00 C ATOM 157 CD PRO A 11 0.853 6.617 -11.607 1.00 0.00 C ATOM 0 HA PRO A 11 2.061 6.121 -14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.704 7.636 -12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.184 8.281 -13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.807 7.035 -10.851 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.852 8.462 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.699 6.066 -10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.038 7.224 -11.769 1.00 0.00 H new ATOM 165 N ASN A 12 3.214 3.891 -13.776 1.00 0.00 N ATOM 166 CA ASN A 12 4.243 2.857 -13.667 1.00 0.00 C ATOM 167 C ASN A 12 4.628 2.624 -12.212 1.00 0.00 C ATOM 168 O ASN A 12 5.775 2.285 -11.906 1.00 0.00 O ATOM 169 CB ASN A 12 5.479 3.255 -14.478 1.00 0.00 C ATOM 170 CG ASN A 12 6.154 2.062 -15.128 1.00 0.00 C ATOM 171 OD1 ASN A 12 6.148 0.961 -14.579 1.00 0.00 O ATOM 172 ND2 ASN A 12 6.738 2.278 -16.297 1.00 0.00 N ATOM 0 H ASN A 12 2.344 3.577 -14.206 1.00 0.00 H new ATOM 0 HA ASN A 12 3.836 1.929 -14.068 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.190 3.970 -15.249 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.191 3.761 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.209 1.513 -16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.717 3.209 -16.713 1.00 0.00 H new ATOM 179 N GLY A 13 3.668 2.812 -11.311 1.00 0.00 N ATOM 180 CA GLY A 13 3.929 2.616 -9.896 1.00 0.00 C ATOM 181 C GLY A 13 3.252 3.658 -9.033 1.00 0.00 C ATOM 182 O GLY A 13 3.395 4.859 -9.267 1.00 0.00 O ATOM 0 H GLY A 13 2.715 3.096 -11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.585 1.625 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.004 2.646 -9.720 1.00 0.00 H new ATOM 186 N CYS A 14 2.505 3.202 -8.032 1.00 0.00 N ATOM 187 CA CYS A 14 1.797 4.104 -7.127 1.00 0.00 C ATOM 188 C CYS A 14 2.222 3.856 -5.677 1.00 0.00 C ATOM 189 O CYS A 14 3.232 4.400 -5.220 1.00 0.00 O ATOM 190 CB CYS A 14 0.310 3.945 -7.284 1.00 0.00 C ATOM 191 SG CYS A 14 -0.223 2.289 -7.831 1.00 0.00 S ATOM 0 H CYS A 14 2.374 2.212 -7.826 1.00 0.00 H new ATOM 0 HA CYS A 14 2.060 5.130 -7.385 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.169 4.170 -6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.047 4.683 -8.002 1.00 0.00 H new ATOM 196 N PHE A 15 1.455 3.044 -4.956 1.00 0.00 N ATOM 197 CA PHE A 15 1.760 2.740 -3.563 1.00 0.00 C ATOM 198 C PHE A 15 1.872 1.233 -3.352 1.00 0.00 C ATOM 199 O PHE A 15 1.266 0.449 -4.081 1.00 0.00 O ATOM 200 CB PHE A 15 0.686 3.324 -2.640 1.00 0.00 C ATOM 201 CG PHE A 15 -0.590 3.600 -3.317 1.00 0.00 C ATOM 202 CD1 PHE A 15 -1.572 2.628 -3.393 1.00 0.00 C ATOM 203 CD2 PHE A 15 -0.843 4.841 -3.878 1.00 0.00 C ATOM 204 CE1 PHE A 15 -2.778 2.885 -4.013 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.043 5.108 -4.505 1.00 0.00 C ATOM 206 CZ PHE A 15 -3.013 4.126 -4.571 1.00 0.00 C ATOM 0 H PHE A 15 0.618 2.585 -5.314 1.00 0.00 H new ATOM 0 HA PHE A 15 2.719 3.196 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.509 2.629 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.061 4.248 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.392 1.655 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.089 5.612 -3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.536 2.117 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.223 6.079 -4.942 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.955 4.329 -5.059 1.00 0.00 H new ATOM 216 N GLY A 16 2.658 0.835 -2.353 1.00 0.00 N ATOM 217 CA GLY A 16 2.838 -0.543 -2.070 1.00 0.00 C ATOM 218 C GLY A 16 1.532 -1.249 -1.764 1.00 0.00 C ATOM 219 O GLY A 16 0.463 -0.627 -1.774 1.00 0.00 O ATOM 0 H GLY A 16 3.171 1.467 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.317 -1.026 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.513 -0.651 -1.221 1.00 0.00 H new ATOM 223 N HIS A 17 1.611 -2.550 -1.503 1.00 0.00 N ATOM 224 CA HIS A 17 0.431 -3.344 -1.193 1.00 0.00 C ATOM 225 C HIS A 17 -0.276 -2.807 0.032 1.00 0.00 C ATOM 226 O HIS A 17 0.203 -1.883 0.663 1.00 0.00 O ATOM 227 CB HIS A 17 0.825 -4.801 -0.977 1.00 0.00 C ATOM 228 CG HIS A 17 1.187 -5.517 -2.243 1.00 0.00 C ATOM 229 ND1 HIS A 17 0.455 -5.413 -3.403 1.00 0.00 N ATOM 230 CD2 HIS A 17 2.216 -6.356 -2.521 1.00 0.00 C ATOM 231 CE1 HIS A 17 1.015 -6.153 -4.344 1.00 0.00 C ATOM 232 NE2 HIS A 17 2.085 -6.739 -3.833 1.00 0.00 N ATOM 0 H HIS A 17 2.484 -3.077 -1.501 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.256 -3.281 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.671 -4.842 -0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.001 -5.325 -0.496 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.993 -6.665 -1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.659 -6.261 -5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.710 -7.372 -4.332 1.00 0.00 H new ATOM 241 N LYS A 18 -1.390 -3.399 0.329 1.00 0.00 N ATOM 242 CA LYS A 18 -2.176 -2.982 1.484 1.00 0.00 C ATOM 243 C LYS A 18 -1.833 -3.826 2.713 1.00 0.00 C ATOM 244 O LYS A 18 -2.715 -4.191 3.488 1.00 0.00 O ATOM 245 CB LYS A 18 -3.668 -3.084 1.178 1.00 0.00 C ATOM 246 CG LYS A 18 -4.128 -4.497 0.851 1.00 0.00 C ATOM 247 CD LYS A 18 -4.831 -5.146 2.030 1.00 0.00 C ATOM 248 CE LYS A 18 -5.941 -6.081 1.572 1.00 0.00 C ATOM 249 NZ LYS A 18 -7.267 -5.405 1.559 1.00 0.00 N ATOM 0 H LYS A 18 -1.789 -4.173 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.930 -1.943 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.232 -2.717 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.903 -2.431 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.802 -4.471 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.268 -5.102 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.107 -5.703 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.248 -4.374 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.713 -6.453 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.982 -6.947 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.996 -6.076 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.497 -5.073 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.237 -4.594 0.909 1.00 0.00 H new ATOM 263 N ILE A 19 -0.578 -4.126 2.880 1.00 0.00 N ATOM 264 CA ILE A 19 -0.123 -4.922 4.009 1.00 0.00 C ATOM 265 C ILE A 19 0.597 -4.056 5.042 1.00 0.00 C ATOM 266 O ILE A 19 0.731 -4.442 6.203 1.00 0.00 O ATOM 267 CB ILE A 19 0.816 -6.058 3.565 1.00 0.00 C ATOM 268 CG1 ILE A 19 0.423 -6.570 2.175 1.00 0.00 C ATOM 269 CG2 ILE A 19 0.792 -7.192 4.586 1.00 0.00 C ATOM 270 CD1 ILE A 19 1.214 -7.786 1.728 1.00 0.00 C ATOM 0 H ILE A 19 0.165 -3.832 2.246 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.014 -5.358 4.460 1.00 0.00 H new ATOM 0 HB ILE A 19 1.832 -5.667 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.638 -6.818 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.563 -5.769 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.460 -7.989 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.121 -6.816 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.222 -7.582 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.882 -8.092 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.275 -7.538 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.054 -8.603 2.432 1.00 0.00 H new ATOM 282 N ASP A 20 1.065 -2.887 4.610 1.00 0.00 N ATOM 283 CA ASP A 20 1.776 -1.973 5.499 1.00 0.00 C ATOM 284 C ASP A 20 0.984 -1.718 6.780 1.00 0.00 C ATOM 285 O ASP A 20 -0.048 -1.058 6.761 1.00 0.00 O ATOM 286 CB ASP A 20 2.049 -0.646 4.789 1.00 0.00 C ATOM 287 CG ASP A 20 2.991 0.210 5.572 1.00 0.00 C ATOM 288 OD1 ASP A 20 4.222 0.051 5.424 1.00 0.00 O ATOM 289 OD2 ASP A 20 2.501 1.074 6.330 1.00 0.00 O ATOM 0 H ASP A 20 0.965 -2.551 3.652 1.00 0.00 H new ATOM 0 HA ASP A 20 2.723 -2.441 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.467 -0.840 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.110 -0.113 4.639 1.00 0.00 H new ATOM 294 N ARG A 21 1.487 -2.245 7.891 1.00 0.00 N ATOM 295 CA ARG A 21 0.832 -2.080 9.180 1.00 0.00 C ATOM 296 C ARG A 21 0.907 -0.624 9.635 1.00 0.00 C ATOM 297 O ARG A 21 1.824 0.074 9.269 1.00 0.00 O ATOM 298 CB ARG A 21 1.484 -2.992 10.219 1.00 0.00 C ATOM 299 CG ARG A 21 0.769 -4.322 10.387 1.00 0.00 C ATOM 300 CD ARG A 21 1.755 -5.460 10.627 1.00 0.00 C ATOM 301 NE ARG A 21 2.844 -5.455 9.652 1.00 0.00 N ATOM 302 CZ ARG A 21 2.749 -5.977 8.431 1.00 0.00 C ATOM 303 NH1 ARG A 21 1.616 -6.536 8.029 1.00 0.00 N ATOM 304 NH2 ARG A 21 3.792 -5.933 7.610 1.00 0.00 N ATOM 0 H ARG A 21 2.348 -2.791 7.923 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.217 -2.356 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.519 -3.178 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.509 -2.477 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.073 -4.259 11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.178 -4.533 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.168 -5.376 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.228 -6.413 10.577 1.00 0.00 H new ATOM 0 HE ARG A 21 3.729 -5.026 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.812 -6.567 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.548 -6.935 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.664 -5.500 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.722 -6.332 6.674 1.00 0.00 H new ATOM 318 N ILE A 22 -0.068 -0.217 10.436 1.00 0.00 N ATOM 319 CA ILE A 22 -0.118 1.130 10.936 1.00 0.00 C ATOM 320 C ILE A 22 -0.065 2.131 9.779 1.00 0.00 C ATOM 321 O ILE A 22 0.101 1.743 8.625 1.00 0.00 O ATOM 322 CB ILE A 22 1.044 1.429 11.911 1.00 0.00 C ATOM 323 CG1 ILE A 22 1.484 0.160 12.642 1.00 0.00 C ATOM 324 CG2 ILE A 22 0.632 2.500 12.913 1.00 0.00 C ATOM 325 CD1 ILE A 22 2.631 0.381 13.603 1.00 0.00 C ATOM 0 H ILE A 22 -0.835 -0.812 10.749 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.058 1.233 11.478 1.00 0.00 H new ATOM 0 HB ILE A 22 1.889 1.798 11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.634 -0.246 13.191 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.776 -0.590 11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.460 2.700 13.593 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.370 3.415 12.381 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.230 2.153 13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.889 -0.562 14.085 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.496 0.758 13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.336 1.107 14.361 1.00 0.00 H new ATOM 337 N GLY A 23 -0.212 3.413 10.098 1.00 0.00 N ATOM 338 CA GLY A 23 -0.183 4.434 9.068 1.00 0.00 C ATOM 339 C GLY A 23 -1.299 5.428 9.211 1.00 0.00 C ATOM 340 O GLY A 23 -2.395 5.191 8.732 1.00 0.00 O ATOM 0 H GLY A 23 -0.350 3.761 11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.772 4.957 9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.247 3.959 8.089 1.00 0.00 H new ATOM 344 N SER A 24 -1.020 6.546 9.877 1.00 0.00 N ATOM 345 CA SER A 24 -2.017 7.589 10.090 1.00 0.00 C ATOM 346 C SER A 24 -2.771 7.891 8.805 1.00 0.00 C ATOM 347 O SER A 24 -3.992 7.748 8.749 1.00 0.00 O ATOM 348 CB SER A 24 -1.343 8.859 10.610 1.00 0.00 C ATOM 349 OG SER A 24 -0.715 9.574 9.557 1.00 0.00 O ATOM 0 H SER A 24 -0.106 6.752 10.280 1.00 0.00 H new ATOM 0 HA SER A 24 -2.732 7.232 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.084 9.495 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.604 8.598 11.367 1.00 0.00 H new ATOM 0 HG SER A 24 -0.293 10.382 9.916 1.00 0.00 H new ATOM 355 N HIS A 25 -2.050 8.314 7.773 1.00 0.00 N ATOM 356 CA HIS A 25 -2.661 8.637 6.493 1.00 0.00 C ATOM 357 C HIS A 25 -2.488 7.490 5.501 1.00 0.00 C ATOM 358 O HIS A 25 -3.440 6.769 5.201 1.00 0.00 O ATOM 359 CB HIS A 25 -2.059 9.921 5.922 1.00 0.00 C ATOM 360 CG HIS A 25 -3.074 10.841 5.314 1.00 0.00 C ATOM 361 ND1 HIS A 25 -3.043 11.227 3.990 1.00 0.00 N ATOM 362 CD2 HIS A 25 -4.156 11.449 5.852 1.00 0.00 C ATOM 363 CE1 HIS A 25 -4.058 12.031 3.743 1.00 0.00 C ATOM 364 NE2 HIS A 25 -4.750 12.184 4.857 1.00 0.00 N ATOM 0 H HIS A 25 -1.038 8.441 7.800 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.727 8.791 6.658 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.532 10.449 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.318 9.660 5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.491 11.370 6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.285 12.487 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.589 12.755 4.961 1.00 0.00 H new ATOM 373 N SER A 26 -1.279 7.322 4.995 1.00 0.00 N ATOM 374 CA SER A 26 -0.981 6.257 4.041 1.00 0.00 C ATOM 375 C SER A 26 -1.899 6.328 2.836 1.00 0.00 C ATOM 376 O SER A 26 -2.863 7.102 2.826 1.00 0.00 O ATOM 377 CB SER A 26 -1.104 4.889 4.713 1.00 0.00 C ATOM 378 OG SER A 26 -0.595 3.861 3.878 1.00 0.00 O ATOM 0 H SER A 26 -0.480 7.911 5.228 1.00 0.00 H new ATOM 0 HA SER A 26 0.044 6.394 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.562 4.895 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.150 4.688 4.946 1.00 0.00 H new ATOM 0 HG SER A 26 -0.684 2.997 4.332 1.00 0.00 H new ATOM 384 N GLY A 27 -1.613 5.519 1.821 1.00 0.00 N ATOM 385 CA GLY A 27 -2.438 5.508 0.628 1.00 0.00 C ATOM 386 C GLY A 27 -2.256 4.247 -0.179 1.00 0.00 C ATOM 387 O GLY A 27 -2.411 4.261 -1.379 1.00 0.00 O ATOM 0 H GLY A 27 -0.825 4.871 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.486 5.608 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.192 6.371 0.010 1.00 0.00 H new ATOM 391 N LEU A 28 -1.928 3.146 0.485 1.00 0.00 N ATOM 392 CA LEU A 28 -1.723 1.871 -0.172 1.00 0.00 C ATOM 393 C LEU A 28 -3.050 1.276 -0.612 1.00 0.00 C ATOM 394 O LEU A 28 -4.119 1.794 -0.315 1.00 0.00 O ATOM 395 CB LEU A 28 -0.998 0.888 0.731 1.00 0.00 C ATOM 396 CG LEU A 28 0.201 1.450 1.461 1.00 0.00 C ATOM 397 CD1 LEU A 28 1.080 0.318 1.960 1.00 0.00 C ATOM 398 CD2 LEU A 28 0.993 2.383 0.556 1.00 0.00 C ATOM 0 H LEU A 28 -1.797 3.117 1.496 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.102 2.055 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.705 0.505 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.673 0.039 0.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.150 2.027 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.942 0.731 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.509 -0.313 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.422 -0.278 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.851 2.776 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.339 1.833 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.356 3.208 0.238 1.00 0.00 H new ATOM 410 N GLY A 29 -2.971 0.181 -1.364 1.00 0.00 N ATOM 411 CA GLY A 29 -4.167 -0.434 -1.860 1.00 0.00 C ATOM 412 C GLY A 29 -4.329 -0.283 -3.360 1.00 0.00 C ATOM 413 O GLY A 29 -5.448 -0.283 -3.875 1.00 0.00 O ATOM 0 H GLY A 29 -2.102 -0.281 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.157 -1.494 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.030 0.006 -1.360 1.00 0.00 H new ATOM 417 N CYS A 30 -3.209 -0.157 -4.064 1.00 0.00 N ATOM 418 CA CYS A 30 -3.230 -0.014 -5.512 1.00 0.00 C ATOM 419 C CYS A 30 -3.512 -1.333 -6.197 1.00 0.00 C ATOM 420 O CYS A 30 -4.121 -1.375 -7.267 1.00 0.00 O ATOM 421 CB CYS A 30 -1.897 0.536 -6.006 1.00 0.00 C ATOM 422 SG CYS A 30 -2.056 2.064 -6.986 1.00 0.00 S ATOM 0 H CYS A 30 -2.275 -0.151 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.032 0.681 -5.761 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.253 0.730 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.402 -0.224 -6.611 1.00 0.00 H new ATOM 427 N ASN A 31 -3.072 -2.419 -5.575 1.00 0.00 N ATOM 428 CA ASN A 31 -3.278 -3.755 -6.125 1.00 0.00 C ATOM 429 C ASN A 31 -4.672 -4.268 -5.795 1.00 0.00 C ATOM 430 O ASN A 31 -5.463 -3.576 -5.153 1.00 0.00 O ATOM 431 CB ASN A 31 -2.222 -4.722 -5.582 1.00 0.00 C ATOM 432 CG ASN A 31 -0.962 -4.735 -6.426 1.00 0.00 C ATOM 433 OD1 ASN A 31 -0.768 -5.627 -7.251 1.00 0.00 O ATOM 434 ND2 ASN A 31 -0.110 -3.746 -6.220 1.00 0.00 N ATOM 0 H ASN A 31 -2.569 -2.402 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.180 -3.694 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.968 -4.442 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.640 -5.728 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.756 -3.698 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.318 -3.030 -5.523 1.00 0.00 H new ATOM 441 N LYS A 32 -4.967 -5.488 -6.232 1.00 0.00 N ATOM 442 CA LYS A 32 -6.272 -6.093 -5.984 1.00 0.00 C ATOM 443 C LYS A 32 -6.531 -6.228 -4.485 1.00 0.00 C ATOM 444 O LYS A 32 -5.802 -6.926 -3.781 1.00 0.00 O ATOM 445 CB LYS A 32 -6.350 -7.467 -6.651 1.00 0.00 C ATOM 446 CG LYS A 32 -6.878 -7.419 -8.078 1.00 0.00 C ATOM 447 CD LYS A 32 -6.902 -8.800 -8.708 1.00 0.00 C ATOM 448 CE LYS A 32 -7.525 -8.767 -10.095 1.00 0.00 C ATOM 449 NZ LYS A 32 -8.948 -8.331 -10.057 1.00 0.00 N ATOM 0 H LYS A 32 -4.322 -6.077 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.036 -5.443 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.358 -7.918 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.993 -8.115 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.884 -6.999 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.253 -6.756 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.886 -9.189 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.465 -9.482 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.955 -8.090 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.461 -9.758 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.410 -8.576 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.437 -8.810 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.992 -7.302 -9.914 1.00 0.00 H new ATOM 463 N VAL A 33 -7.574 -5.554 -4.009 1.00 0.00 N ATOM 464 CA VAL A 33 -7.930 -5.599 -2.597 1.00 0.00 C ATOM 465 C VAL A 33 -9.327 -6.179 -2.400 1.00 0.00 C ATOM 466 O VAL A 33 -10.266 -5.812 -3.107 1.00 0.00 O ATOM 467 CB VAL A 33 -7.873 -4.201 -1.959 1.00 0.00 C ATOM 468 CG1 VAL A 33 -6.431 -3.774 -1.728 1.00 0.00 C ATOM 469 CG2 VAL A 33 -8.601 -3.186 -2.826 1.00 0.00 C ATOM 0 H VAL A 33 -8.186 -4.971 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.200 -6.243 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.374 -4.246 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.413 -2.782 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.943 -4.485 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.902 -3.748 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.549 -2.203 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.132 -3.144 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.645 -3.482 -2.934 1.00 0.00 H new ATOM 479 N ASP A 34 -9.453 -7.080 -1.439 1.00 0.00 N ATOM 480 CA ASP A 34 -10.732 -7.712 -1.154 1.00 0.00 C ATOM 481 C ASP A 34 -11.662 -6.745 -0.444 1.00 0.00 C ATOM 482 O ASP A 34 -12.059 -6.984 0.691 1.00 0.00 O ATOM 483 CB ASP A 34 -10.514 -8.965 -0.322 1.00 0.00 C ATOM 484 CG ASP A 34 -9.611 -8.710 0.865 1.00 0.00 C ATOM 485 OD1 ASP A 34 -8.376 -8.815 0.709 1.00 0.00 O ATOM 486 OD2 ASP A 34 -10.141 -8.405 1.954 1.00 0.00 O ATOM 0 H ASP A 34 -8.686 -7.390 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.203 -7.996 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.476 -9.339 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.078 -9.744 -0.948 1.00 0.00 H new ATOM 491 N ASP A 35 -12.013 -5.653 -1.100 1.00 0.00 N ATOM 492 CA ASP A 35 -12.897 -4.650 -0.537 1.00 0.00 C ATOM 493 C ASP A 35 -13.388 -3.674 -1.588 1.00 0.00 C ATOM 494 O ASP A 35 -12.949 -3.729 -2.724 1.00 0.00 O ATOM 495 CB ASP A 35 -12.176 -3.885 0.569 1.00 0.00 C ATOM 496 CG ASP A 35 -13.129 -3.391 1.642 1.00 0.00 C ATOM 497 OD1 ASP A 35 -13.466 -4.181 2.548 1.00 0.00 O ATOM 498 OD2 ASP A 35 -13.539 -2.213 1.572 1.00 0.00 O ATOM 0 H ASP A 35 -11.691 -5.437 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.764 -5.169 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.424 -4.530 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.648 -3.035 0.136 1.00 0.00 H new ATOM 503 N ASN A 36 -14.302 -2.791 -1.193 1.00 0.00 N ATOM 504 CA ASN A 36 -14.857 -1.799 -2.111 1.00 0.00 C ATOM 505 C ASN A 36 -15.676 -2.470 -3.201 1.00 0.00 C ATOM 506 O ASN A 36 -16.905 -2.410 -3.199 1.00 0.00 O ATOM 507 CB ASN A 36 -13.740 -0.950 -2.715 1.00 0.00 C ATOM 508 CG ASN A 36 -14.274 0.132 -3.628 1.00 0.00 C ATOM 509 OD1 ASN A 36 -14.530 1.232 -3.194 1.00 0.00 O ATOM 510 ND2 ASN A 36 -14.449 -0.195 -4.904 1.00 0.00 N ATOM 0 H ASN A 36 -14.674 -2.742 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 36 -15.521 -1.143 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.160 -0.493 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.060 -1.592 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.813 0.494 -5.562 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.219 -1.135 -5.226 1.00 0.00 H new ATOM 517 N LYS A 37 -14.986 -3.106 -4.144 1.00 0.00 N ATOM 518 CA LYS A 37 -15.652 -3.787 -5.248 1.00 0.00 C ATOM 519 C LYS A 37 -16.161 -5.159 -4.818 1.00 0.00 C ATOM 520 O LYS A 37 -15.388 -6.006 -4.369 1.00 0.00 O ATOM 521 CB LYS A 37 -14.692 -3.935 -6.435 1.00 0.00 C ATOM 522 CG LYS A 37 -14.717 -2.751 -7.383 1.00 0.00 C ATOM 523 CD LYS A 37 -14.498 -3.190 -8.827 1.00 0.00 C ATOM 524 CE LYS A 37 -13.051 -2.998 -9.252 1.00 0.00 C ATOM 525 NZ LYS A 37 -12.874 -3.180 -10.718 1.00 0.00 N ATOM 0 H LYS A 37 -13.968 -3.163 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.507 -3.183 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.678 -4.067 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.947 -4.839 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.674 -2.236 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.944 -2.037 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.775 -4.239 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.151 -2.618 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.719 -2.000 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.419 -3.708 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.874 -3.041 -10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.167 -4.141 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.457 -2.485 -11.227 1.00 0.00 H new ATOM 539 N GLY A 38 -17.467 -5.369 -4.953 1.00 0.00 N ATOM 540 CA GLY A 38 -18.054 -6.636 -4.576 1.00 0.00 C ATOM 541 C GLY A 38 -17.703 -7.753 -5.537 1.00 0.00 C ATOM 542 O GLY A 38 -16.852 -8.596 -5.183 1.00 0.00 O ATOM 543 OXT GLY A 38 -18.274 -7.785 -6.646 1.00 0.00 O ATOM 0 H GLY A 38 -18.127 -4.682 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.717 -6.904 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.138 -6.530 -4.529 1.00 0.00 H new TER 547 GLY A 38