USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 ASN : amide:sc= -0.0195 X(o=-0.02,f=0.41) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 141:sc= -0.396 (180deg=-2.29!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 129:sc= 0.91 USER MOD Single : A 10 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.5!) USER MOD Single : A 14 ASN : amide:sc= 0.0102 X(o=0.01,f=-0.014) USER MOD Single : A 18 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.13) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -128:sc= 0.358 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.055) USER MOD Single : A 28 SER OG : rot 105:sc= 0.878 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 160:sc= -1.82! USER MOD Single : A 31 ASN : amide:sc= -4.46! K(o=-4.5!,f=-1.2) USER MOD Single : A 34 SER OG : rot 3:sc= 1.05! USER MOD Single : A 35 ASN : amide:sc= -0.694 K(o=-0.69,f=-2.4) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.510 -17.883 2.364 1.00 0.00 N ATOM 2 CA LYS A 1 -13.080 -18.298 2.471 1.00 0.00 C ATOM 3 C LYS A 1 -12.789 -19.442 1.496 1.00 0.00 C ATOM 4 O LYS A 1 -13.446 -20.463 1.511 1.00 0.00 O ATOM 5 CB LYS A 1 -12.908 -18.767 3.916 1.00 0.00 C ATOM 6 CG LYS A 1 -13.855 -19.938 4.192 1.00 0.00 C ATOM 7 CD LYS A 1 -14.253 -19.935 5.669 1.00 0.00 C ATOM 8 CE LYS A 1 -13.070 -20.405 6.519 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.468 -21.750 7.021 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.881 -17.668 3.311 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.582 -17.037 1.763 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.065 -18.655 1.942 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.395 -17.487 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.876 -19.072 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.118 -17.947 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.743 -19.857 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.370 -20.880 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.557 -18.933 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.110 -20.590 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.156 -20.459 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.877 -19.717 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.707 -22.139 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.337 -21.667 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.638 -22.385 6.215 1.00 0.00 H new ATOM 25 N CYS A 2 -11.810 -19.277 0.648 1.00 0.00 N ATOM 26 CA CYS A 2 -11.475 -20.351 -0.330 1.00 0.00 C ATOM 27 C CYS A 2 -11.552 -21.727 0.346 1.00 0.00 C ATOM 28 O CYS A 2 -12.520 -22.444 0.198 1.00 0.00 O ATOM 29 CB CYS A 2 -10.045 -20.032 -0.775 1.00 0.00 C ATOM 30 SG CYS A 2 -9.549 -21.163 -2.096 1.00 0.00 S ATOM 0 H CYS A 2 -11.226 -18.442 0.591 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.165 -20.385 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.984 -19.001 -1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.362 -20.123 0.070 1.00 0.00 H new ATOM 35 N ASN A 3 -10.543 -22.093 1.089 1.00 0.00 N ATOM 36 CA ASN A 3 -10.546 -23.413 1.785 1.00 0.00 C ATOM 37 C ASN A 3 -9.151 -23.653 2.349 1.00 0.00 C ATOM 38 O ASN A 3 -8.971 -24.257 3.388 1.00 0.00 O ATOM 39 CB ASN A 3 -10.888 -24.449 0.712 1.00 0.00 C ATOM 40 CG ASN A 3 -10.502 -25.843 1.210 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.389 -26.286 1.007 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.379 -26.558 1.860 1.00 0.00 N ATOM 0 H ASN A 3 -9.708 -21.528 1.245 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.261 -23.465 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.953 -24.414 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.357 -24.221 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.130 -27.488 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.314 -26.187 2.031 1.00 0.00 H new ATOM 49 N THR A 4 -8.165 -23.149 1.664 1.00 0.00 N ATOM 50 CA THR A 4 -6.763 -23.291 2.127 1.00 0.00 C ATOM 51 C THR A 4 -6.213 -21.911 2.464 1.00 0.00 C ATOM 52 O THR A 4 -6.123 -21.047 1.616 1.00 0.00 O ATOM 53 CB THR A 4 -6.016 -23.913 0.947 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.873 -24.820 0.271 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.785 -24.660 1.461 1.00 0.00 C ATOM 0 H THR A 4 -8.276 -22.637 0.789 1.00 0.00 H new ATOM 0 HA THR A 4 -6.664 -23.907 3.021 1.00 0.00 H new ATOM 0 HB THR A 4 -5.703 -23.128 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.396 -25.218 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.252 -25.104 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.127 -23.963 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.097 -25.446 2.149 1.00 0.00 H new ATOM 63 N ALA A 5 -5.851 -21.699 3.700 1.00 0.00 N ATOM 64 CA ALA A 5 -5.303 -20.373 4.110 1.00 0.00 C ATOM 65 C ALA A 5 -4.382 -19.826 3.018 1.00 0.00 C ATOM 66 O ALA A 5 -4.191 -18.634 2.890 1.00 0.00 O ATOM 67 CB ALA A 5 -4.512 -20.653 5.387 1.00 0.00 C ATOM 0 H ALA A 5 -5.911 -22.390 4.448 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.085 -19.631 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.075 -19.725 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.178 -21.065 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.718 -21.369 5.174 1.00 0.00 H new ATOM 73 N THR A 6 -3.812 -20.690 2.225 1.00 0.00 N ATOM 74 CA THR A 6 -2.908 -20.221 1.135 1.00 0.00 C ATOM 75 C THR A 6 -3.727 -19.632 -0.022 1.00 0.00 C ATOM 76 O THR A 6 -3.312 -18.693 -0.673 1.00 0.00 O ATOM 77 CB THR A 6 -2.151 -21.472 0.682 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.388 -21.167 -0.477 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.142 -22.593 0.360 1.00 0.00 C ATOM 0 H THR A 6 -3.932 -21.701 2.284 1.00 0.00 H new ATOM 0 HA THR A 6 -2.231 -19.436 1.470 1.00 0.00 H new ATOM 0 HB THR A 6 -1.488 -21.800 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.901 -21.966 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.596 -23.480 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.726 -22.829 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.811 -22.269 -0.438 1.00 0.00 H new ATOM 87 N CYS A 7 -4.890 -20.170 -0.277 1.00 0.00 N ATOM 88 CA CYS A 7 -5.738 -19.639 -1.382 1.00 0.00 C ATOM 89 C CYS A 7 -6.652 -18.541 -0.845 1.00 0.00 C ATOM 90 O CYS A 7 -6.585 -17.401 -1.262 1.00 0.00 O ATOM 91 CB CYS A 7 -6.549 -20.842 -1.866 1.00 0.00 C ATOM 92 SG CYS A 7 -7.921 -20.281 -2.906 1.00 0.00 S ATOM 0 H CYS A 7 -5.290 -20.957 0.234 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.155 -19.198 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.908 -21.521 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.933 -21.400 -1.012 1.00 0.00 H new ATOM 97 N ALA A 8 -7.496 -18.871 0.089 1.00 0.00 N ATOM 98 CA ALA A 8 -8.402 -17.840 0.668 1.00 0.00 C ATOM 99 C ALA A 8 -7.602 -16.573 0.955 1.00 0.00 C ATOM 100 O ALA A 8 -7.939 -15.499 0.500 1.00 0.00 O ATOM 101 CB ALA A 8 -8.925 -18.456 1.968 1.00 0.00 C ATOM 0 H ALA A 8 -7.599 -19.809 0.477 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.218 -17.568 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.602 -17.755 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.459 -19.380 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.087 -18.673 2.631 1.00 0.00 H new ATOM 107 N THR A 9 -6.539 -16.693 1.699 1.00 0.00 N ATOM 108 CA THR A 9 -5.709 -15.497 2.009 1.00 0.00 C ATOM 109 C THR A 9 -5.179 -14.875 0.714 1.00 0.00 C ATOM 110 O THR A 9 -5.188 -13.672 0.548 1.00 0.00 O ATOM 111 CB THR A 9 -4.556 -16.025 2.863 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.079 -16.779 3.948 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.742 -14.849 3.402 1.00 0.00 C ATOM 0 H THR A 9 -6.209 -17.568 2.106 1.00 0.00 H new ATOM 0 HA THR A 9 -6.275 -14.722 2.526 1.00 0.00 H new ATOM 0 HB THR A 9 -3.913 -16.662 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.639 -17.654 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.920 -15.224 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.342 -14.271 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.383 -14.212 4.011 1.00 0.00 H new ATOM 121 N GLN A 10 -4.713 -15.682 -0.204 1.00 0.00 N ATOM 122 CA GLN A 10 -4.185 -15.122 -1.474 1.00 0.00 C ATOM 123 C GLN A 10 -5.319 -14.504 -2.303 1.00 0.00 C ATOM 124 O GLN A 10 -5.097 -13.659 -3.150 1.00 0.00 O ATOM 125 CB GLN A 10 -3.577 -16.313 -2.214 1.00 0.00 C ATOM 126 CG GLN A 10 -3.130 -15.874 -3.610 1.00 0.00 C ATOM 127 CD GLN A 10 -4.271 -16.095 -4.604 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.791 -15.153 -5.172 1.00 0.00 O ATOM 129 NE2 GLN A 10 -4.684 -17.308 -4.845 1.00 0.00 N ATOM 0 H GLN A 10 -4.677 -16.698 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.455 -14.332 -1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.727 -16.706 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.308 -17.118 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.843 -14.823 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.251 -16.441 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.249 -18.099 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.442 -17.466 -5.509 1.00 0.00 H new ATOM 138 N ARG A 11 -6.536 -14.890 -2.042 1.00 0.00 N ATOM 139 CA ARG A 11 -7.672 -14.309 -2.801 1.00 0.00 C ATOM 140 C ARG A 11 -8.137 -13.108 -2.017 1.00 0.00 C ATOM 141 O ARG A 11 -8.273 -12.009 -2.514 1.00 0.00 O ATOM 142 CB ARG A 11 -8.725 -15.436 -2.834 1.00 0.00 C ATOM 143 CG ARG A 11 -10.106 -14.923 -2.393 1.00 0.00 C ATOM 144 CD ARG A 11 -11.218 -15.760 -3.041 1.00 0.00 C ATOM 145 NE ARG A 11 -10.675 -17.143 -3.146 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.265 -17.589 -4.301 1.00 0.00 C ATOM 147 NH1 ARG A 11 -11.100 -17.672 -5.300 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.018 -17.943 -4.460 1.00 0.00 N ATOM 0 H ARG A 11 -6.791 -15.582 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.445 -13.982 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.792 -15.845 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.411 -16.249 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.190 -14.973 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.219 -13.876 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.125 -15.741 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.481 -15.367 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.624 -17.738 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.072 -17.388 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.781 -18.021 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.364 -17.871 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.698 -18.292 -5.364 1.00 0.00 H new ATOM 162 N LEU A 12 -8.340 -13.339 -0.769 1.00 0.00 N ATOM 163 CA LEU A 12 -8.755 -12.269 0.142 1.00 0.00 C ATOM 164 C LEU A 12 -7.714 -11.157 0.118 1.00 0.00 C ATOM 165 O LEU A 12 -8.033 -9.985 0.127 1.00 0.00 O ATOM 166 CB LEU A 12 -8.776 -12.985 1.479 1.00 0.00 C ATOM 167 CG LEU A 12 -10.103 -13.727 1.633 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.869 -15.035 2.389 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.089 -12.851 2.405 1.00 0.00 C ATOM 0 H LEU A 12 -8.232 -14.253 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.707 -11.797 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.944 -13.687 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.650 -12.268 2.291 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.515 -13.949 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.815 -15.565 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.167 -15.656 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.458 -14.817 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.036 -13.379 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.682 -12.627 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.254 -11.921 1.860 1.00 0.00 H new ATOM 181 N ALA A 13 -6.466 -11.522 0.071 1.00 0.00 N ATOM 182 CA ALA A 13 -5.392 -10.497 0.028 1.00 0.00 C ATOM 183 C ALA A 13 -5.482 -9.722 -1.284 1.00 0.00 C ATOM 184 O ALA A 13 -5.213 -8.539 -1.343 1.00 0.00 O ATOM 185 CB ALA A 13 -4.085 -11.283 0.101 1.00 0.00 C ATOM 0 H ALA A 13 -6.143 -12.489 0.060 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.469 -9.774 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.243 -10.592 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.056 -11.855 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.022 -11.964 -0.748 1.00 0.00 H new ATOM 191 N ASN A 14 -5.871 -10.383 -2.337 1.00 0.00 N ATOM 192 CA ASN A 14 -5.994 -9.686 -3.646 1.00 0.00 C ATOM 193 C ASN A 14 -6.938 -8.494 -3.498 1.00 0.00 C ATOM 194 O ASN A 14 -6.666 -7.406 -3.968 1.00 0.00 O ATOM 195 CB ASN A 14 -6.584 -10.725 -4.597 1.00 0.00 C ATOM 196 CG ASN A 14 -6.162 -10.400 -6.031 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.003 -10.514 -6.376 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.061 -9.996 -6.885 1.00 0.00 N ATOM 0 H ASN A 14 -6.109 -11.375 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.041 -9.305 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.240 -11.722 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.671 -10.730 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.791 -9.775 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.034 -9.901 -6.594 1.00 0.00 H new ATOM 205 N PHE A 15 -8.045 -8.687 -2.836 1.00 0.00 N ATOM 206 CA PHE A 15 -9.001 -7.560 -2.650 1.00 0.00 C ATOM 207 C PHE A 15 -8.581 -6.754 -1.427 1.00 0.00 C ATOM 208 O PHE A 15 -8.955 -5.610 -1.265 1.00 0.00 O ATOM 209 CB PHE A 15 -10.382 -8.196 -2.414 1.00 0.00 C ATOM 210 CG PHE A 15 -10.479 -9.523 -3.127 1.00 0.00 C ATOM 211 CD1 PHE A 15 -9.932 -9.673 -4.407 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.102 -10.607 -2.501 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.009 -10.906 -5.060 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.181 -11.840 -3.153 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.634 -11.991 -4.433 1.00 0.00 C ATOM 0 H PHE A 15 -8.328 -9.573 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.022 -6.894 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.547 -8.337 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.164 -7.526 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.450 -8.836 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.522 -10.491 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.587 -11.022 -6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.664 -12.677 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.694 -12.944 -4.937 1.00 0.00 H new ATOM 225 N LEU A 16 -7.801 -7.343 -0.561 1.00 0.00 N ATOM 226 CA LEU A 16 -7.362 -6.597 0.653 1.00 0.00 C ATOM 227 C LEU A 16 -6.456 -5.432 0.247 1.00 0.00 C ATOM 228 O LEU A 16 -6.685 -4.298 0.615 1.00 0.00 O ATOM 229 CB LEU A 16 -6.596 -7.611 1.500 1.00 0.00 C ATOM 230 CG LEU A 16 -7.017 -7.468 2.963 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.427 -8.035 3.142 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.042 -8.240 3.855 1.00 0.00 C ATOM 0 H LEU A 16 -7.452 -8.298 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.201 -6.173 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.799 -8.623 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.523 -7.448 1.401 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.007 -6.415 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.730 -7.934 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.123 -7.487 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.434 -9.088 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.343 -8.137 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.051 -9.294 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.036 -7.839 3.727 1.00 0.00 H new ATOM 244 N VAL A 17 -5.434 -5.700 -0.515 1.00 0.00 N ATOM 245 CA VAL A 17 -4.520 -4.605 -0.947 1.00 0.00 C ATOM 246 C VAL A 17 -5.210 -3.716 -1.985 1.00 0.00 C ATOM 247 O VAL A 17 -4.949 -2.533 -2.075 1.00 0.00 O ATOM 248 CB VAL A 17 -3.318 -5.313 -1.569 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.200 -4.299 -1.817 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.816 -6.403 -0.619 1.00 0.00 C ATOM 0 H VAL A 17 -5.191 -6.629 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.231 -3.960 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.615 -5.766 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.342 -4.804 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.556 -3.524 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.904 -3.845 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.958 -6.907 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.520 -5.952 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.612 -7.127 -0.443 1.00 0.00 H new ATOM 260 N HIS A 18 -6.089 -4.275 -2.773 1.00 0.00 N ATOM 261 CA HIS A 18 -6.786 -3.458 -3.807 1.00 0.00 C ATOM 262 C HIS A 18 -8.072 -2.851 -3.246 1.00 0.00 C ATOM 263 O HIS A 18 -8.197 -1.650 -3.111 1.00 0.00 O ATOM 264 CB HIS A 18 -7.116 -4.442 -4.928 1.00 0.00 C ATOM 265 CG HIS A 18 -5.982 -4.478 -5.913 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.593 -3.354 -6.652 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.140 -5.494 -6.298 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.557 -3.721 -7.436 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.266 -4.999 -7.244 1.00 0.00 N ATOM 0 H HIS A 18 -6.354 -5.260 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.169 -2.627 -4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.285 -5.437 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.037 -4.144 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.159 -6.507 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.040 -3.066 -8.122 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.527 -5.524 -7.712 1.00 0.00 H new ATOM 277 N SER A 19 -9.033 -3.673 -2.937 1.00 0.00 N ATOM 278 CA SER A 19 -10.326 -3.146 -2.405 1.00 0.00 C ATOM 279 C SER A 19 -10.095 -2.183 -1.234 1.00 0.00 C ATOM 280 O SER A 19 -10.929 -1.351 -0.939 1.00 0.00 O ATOM 281 CB SER A 19 -11.097 -4.380 -1.936 1.00 0.00 C ATOM 282 OG SER A 19 -12.493 -4.137 -2.055 1.00 0.00 O ATOM 0 H SER A 19 -8.983 -4.688 -3.028 1.00 0.00 H new ATOM 0 HA SER A 19 -10.869 -2.581 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.815 -5.247 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.843 -4.610 -0.901 1.00 0.00 H new ATOM 0 HG SER A 19 -12.989 -4.927 -1.756 1.00 0.00 H new ATOM 288 N SER A 20 -8.986 -2.289 -0.555 1.00 0.00 N ATOM 289 CA SER A 20 -8.744 -1.373 0.599 1.00 0.00 C ATOM 290 C SER A 20 -8.011 -0.101 0.160 1.00 0.00 C ATOM 291 O SER A 20 -8.378 0.995 0.535 1.00 0.00 O ATOM 292 CB SER A 20 -7.887 -2.175 1.576 1.00 0.00 C ATOM 293 OG SER A 20 -6.521 -2.064 1.203 1.00 0.00 O ATOM 0 H SER A 20 -8.243 -2.962 -0.745 1.00 0.00 H new ATOM 0 HA SER A 20 -9.681 -1.043 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.030 -1.805 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.193 -3.221 1.572 1.00 0.00 H new ATOM 0 HG SER A 20 -6.129 -2.959 1.125 1.00 0.00 H new ATOM 299 N ASN A 21 -6.972 -0.235 -0.612 1.00 0.00 N ATOM 300 CA ASN A 21 -6.208 0.974 -1.049 1.00 0.00 C ATOM 301 C ASN A 21 -6.843 1.620 -2.284 1.00 0.00 C ATOM 302 O ASN A 21 -6.968 2.827 -2.373 1.00 0.00 O ATOM 303 CB ASN A 21 -4.808 0.452 -1.380 1.00 0.00 C ATOM 304 CG ASN A 21 -3.786 1.576 -1.201 1.00 0.00 C ATOM 305 OD1 ASN A 21 -3.473 1.959 -0.091 1.00 0.00 O ATOM 306 ND2 ASN A 21 -3.246 2.123 -2.256 1.00 0.00 N ATOM 0 H ASN A 21 -6.616 -1.125 -0.961 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.197 1.743 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.559 -0.387 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.780 0.081 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.562 2.872 -2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.508 1.802 -3.188 1.00 0.00 H new ATOM 313 N ASN A 22 -7.227 0.830 -3.243 1.00 0.00 N ATOM 314 CA ASN A 22 -7.833 1.395 -4.486 1.00 0.00 C ATOM 315 C ASN A 22 -9.175 2.075 -4.198 1.00 0.00 C ATOM 316 O ASN A 22 -9.714 2.775 -5.033 1.00 0.00 O ATOM 317 CB ASN A 22 -8.051 0.191 -5.395 1.00 0.00 C ATOM 318 CG ASN A 22 -8.493 0.672 -6.779 1.00 0.00 C ATOM 319 OD1 ASN A 22 -7.677 0.870 -7.657 1.00 0.00 O ATOM 320 ND2 ASN A 22 -9.762 0.869 -7.013 1.00 0.00 N ATOM 0 H ASN A 22 -7.149 -0.187 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.190 2.154 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.131 -0.389 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.807 -0.468 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.067 1.189 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.448 0.703 -6.277 1.00 0.00 H new ATOM 327 N PHE A 23 -9.727 1.873 -3.038 1.00 0.00 N ATOM 328 CA PHE A 23 -11.040 2.505 -2.731 1.00 0.00 C ATOM 329 C PHE A 23 -10.862 3.985 -2.414 1.00 0.00 C ATOM 330 O PHE A 23 -11.319 4.847 -3.136 1.00 0.00 O ATOM 331 CB PHE A 23 -11.563 1.758 -1.505 1.00 0.00 C ATOM 332 CG PHE A 23 -12.838 1.042 -1.867 1.00 0.00 C ATOM 333 CD1 PHE A 23 -12.786 -0.131 -2.626 1.00 0.00 C ATOM 334 CD2 PHE A 23 -14.070 1.554 -1.447 1.00 0.00 C ATOM 335 CE1 PHE A 23 -13.970 -0.796 -2.966 1.00 0.00 C ATOM 336 CE2 PHE A 23 -15.254 0.890 -1.785 1.00 0.00 C ATOM 337 CZ PHE A 23 -15.205 -0.286 -2.545 1.00 0.00 C ATOM 0 H PHE A 23 -9.331 1.302 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.728 2.444 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.818 1.044 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.744 2.457 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.833 -0.524 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.107 2.461 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.931 -1.702 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -16.206 1.284 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 23 -16.119 -0.799 -2.806 1.00 0.00 H new ATOM 347 N GLY A 24 -10.202 4.283 -1.336 1.00 0.00 N ATOM 348 CA GLY A 24 -9.998 5.710 -0.957 1.00 0.00 C ATOM 349 C GLY A 24 -9.278 6.446 -2.087 1.00 0.00 C ATOM 350 O GLY A 24 -9.348 7.655 -2.199 1.00 0.00 O ATOM 0 H GLY A 24 -9.793 3.601 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.959 6.184 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.414 5.772 -0.039 1.00 0.00 H new ATOM 354 N ALA A 25 -8.585 5.728 -2.926 1.00 0.00 N ATOM 355 CA ALA A 25 -7.854 6.388 -4.044 1.00 0.00 C ATOM 356 C ALA A 25 -8.834 6.927 -5.089 1.00 0.00 C ATOM 357 O ALA A 25 -8.668 8.016 -5.603 1.00 0.00 O ATOM 358 CB ALA A 25 -6.983 5.287 -4.647 1.00 0.00 C ATOM 0 H ALA A 25 -8.493 4.713 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.266 7.239 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.410 5.692 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.300 4.907 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.617 4.476 -5.004 1.00 0.00 H new ATOM 364 N ILE A 26 -9.853 6.179 -5.411 1.00 0.00 N ATOM 365 CA ILE A 26 -10.836 6.657 -6.421 1.00 0.00 C ATOM 366 C ILE A 26 -11.951 7.384 -5.708 1.00 0.00 C ATOM 367 O ILE A 26 -12.370 8.451 -6.105 1.00 0.00 O ATOM 368 CB ILE A 26 -11.312 5.385 -7.108 1.00 0.00 C ATOM 369 CG1 ILE A 26 -10.077 4.585 -7.534 1.00 0.00 C ATOM 370 CG2 ILE A 26 -12.148 5.738 -8.338 1.00 0.00 C ATOM 371 CD1 ILE A 26 -9.009 5.540 -8.089 1.00 0.00 C ATOM 0 H ILE A 26 -10.047 5.258 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.430 7.360 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.929 4.798 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.678 4.033 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.351 3.850 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.485 4.822 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.013 6.326 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.543 6.317 -9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.132 4.968 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.410 6.073 -8.951 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.727 6.258 -7.319 1.00 0.00 H new ATOM 383 N LEU A 27 -12.391 6.844 -4.615 1.00 0.00 N ATOM 384 CA LEU A 27 -13.430 7.533 -3.823 1.00 0.00 C ATOM 385 C LEU A 27 -13.010 8.997 -3.692 1.00 0.00 C ATOM 386 O LEU A 27 -13.820 9.894 -3.560 1.00 0.00 O ATOM 387 CB LEU A 27 -13.384 6.813 -2.483 1.00 0.00 C ATOM 388 CG LEU A 27 -14.371 5.641 -2.499 1.00 0.00 C ATOM 389 CD1 LEU A 27 -15.802 6.180 -2.478 1.00 0.00 C ATOM 390 CD2 LEU A 27 -14.161 4.805 -3.767 1.00 0.00 C ATOM 0 H LEU A 27 -12.074 5.952 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.433 7.515 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.375 6.450 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.636 7.504 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.202 5.016 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.505 5.347 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.955 6.771 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.968 6.806 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.865 3.973 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.327 5.429 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.142 4.419 -3.783 1.00 0.00 H new ATOM 402 N SER A 28 -11.725 9.225 -3.756 1.00 0.00 N ATOM 403 CA SER A 28 -11.176 10.604 -3.669 1.00 0.00 C ATOM 404 C SER A 28 -11.686 11.467 -4.830 1.00 0.00 C ATOM 405 O SER A 28 -11.695 12.681 -4.757 1.00 0.00 O ATOM 406 CB SER A 28 -9.667 10.401 -3.799 1.00 0.00 C ATOM 407 OG SER A 28 -9.139 9.998 -2.544 1.00 0.00 O ATOM 0 H SER A 28 -11.021 8.496 -3.867 1.00 0.00 H new ATOM 0 HA SER A 28 -11.468 11.112 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.454 9.646 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.191 11.325 -4.127 1.00 0.00 H new ATOM 0 HG SER A 28 -8.934 9.040 -2.568 1.00 0.00 H new ATOM 413 N SER A 29 -12.094 10.851 -5.907 1.00 0.00 N ATOM 414 CA SER A 29 -12.580 11.634 -7.080 1.00 0.00 C ATOM 415 C SER A 29 -13.874 11.031 -7.629 1.00 0.00 C ATOM 416 O SER A 29 -14.038 10.876 -8.823 1.00 0.00 O ATOM 417 CB SER A 29 -11.464 11.516 -8.116 1.00 0.00 C ATOM 418 OG SER A 29 -10.801 12.768 -8.236 1.00 0.00 O ATOM 0 H SER A 29 -12.112 9.838 -6.025 1.00 0.00 H new ATOM 0 HA SER A 29 -12.799 12.669 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.755 10.743 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.876 11.216 -9.079 1.00 0.00 H new ATOM 0 HG SER A 29 -10.083 12.696 -8.899 1.00 0.00 H new ATOM 424 N THR A 30 -14.791 10.691 -6.771 1.00 0.00 N ATOM 425 CA THR A 30 -16.072 10.098 -7.249 1.00 0.00 C ATOM 426 C THR A 30 -17.203 10.449 -6.285 1.00 0.00 C ATOM 427 O THR A 30 -18.208 11.016 -6.666 1.00 0.00 O ATOM 428 CB THR A 30 -15.826 8.591 -7.271 1.00 0.00 C ATOM 429 OG1 THR A 30 -15.543 8.141 -5.955 1.00 0.00 O ATOM 430 CG2 THR A 30 -14.640 8.286 -8.185 1.00 0.00 C ATOM 0 H THR A 30 -14.711 10.797 -5.760 1.00 0.00 H new ATOM 0 HA THR A 30 -16.365 10.473 -8.230 1.00 0.00 H new ATOM 0 HB THR A 30 -16.713 8.079 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.700 7.175 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.462 7.211 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.859 8.634 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.752 8.795 -7.811 1.00 0.00 H new ATOM 438 N ASN A 31 -17.040 10.126 -5.037 1.00 0.00 N ATOM 439 CA ASN A 31 -18.096 10.448 -4.038 1.00 0.00 C ATOM 440 C ASN A 31 -18.422 11.948 -4.101 1.00 0.00 C ATOM 441 O ASN A 31 -19.462 12.389 -3.656 1.00 0.00 O ATOM 442 CB ASN A 31 -17.476 10.080 -2.684 1.00 0.00 C ATOM 443 CG ASN A 31 -16.617 11.247 -2.195 1.00 0.00 C ATOM 444 OD1 ASN A 31 -16.739 11.684 -1.068 1.00 0.00 O ATOM 445 ND2 ASN A 31 -15.746 11.771 -3.013 1.00 0.00 N ATOM 0 H ASN A 31 -16.219 9.651 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 31 -19.028 9.910 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.259 9.860 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.869 9.180 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.164 12.551 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.647 11.401 -3.958 1.00 0.00 H new ATOM 452 N VAL A 32 -17.528 12.731 -4.650 1.00 0.00 N ATOM 453 CA VAL A 32 -17.771 14.197 -4.746 1.00 0.00 C ATOM 454 C VAL A 32 -19.093 14.443 -5.461 1.00 0.00 C ATOM 455 O VAL A 32 -19.687 15.498 -5.365 1.00 0.00 O ATOM 456 CB VAL A 32 -16.603 14.740 -5.573 1.00 0.00 C ATOM 457 CG1 VAL A 32 -16.779 14.326 -7.036 1.00 0.00 C ATOM 458 CG2 VAL A 32 -16.577 16.268 -5.480 1.00 0.00 C ATOM 0 H VAL A 32 -16.639 12.414 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 32 -17.831 14.680 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 32 -15.667 14.335 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.948 14.712 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.800 13.238 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.715 14.732 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.745 16.654 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.513 16.672 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.454 16.567 -4.439 1.00 0.00 H new ATOM 468 N GLY A 33 -19.553 13.463 -6.181 1.00 0.00 N ATOM 469 CA GLY A 33 -20.840 13.612 -6.917 1.00 0.00 C ATOM 470 C GLY A 33 -21.949 12.898 -6.145 1.00 0.00 C ATOM 471 O GLY A 33 -23.104 13.272 -6.208 1.00 0.00 O ATOM 0 H GLY A 33 -19.093 12.560 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.085 14.668 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.750 13.192 -7.919 1.00 0.00 H new ATOM 475 N SER A 34 -21.607 11.871 -5.417 1.00 0.00 N ATOM 476 CA SER A 34 -22.638 11.128 -4.638 1.00 0.00 C ATOM 477 C SER A 34 -23.885 10.894 -5.495 1.00 0.00 C ATOM 478 O SER A 34 -24.905 11.526 -5.305 1.00 0.00 O ATOM 479 CB SER A 34 -22.967 12.034 -3.455 1.00 0.00 C ATOM 480 OG SER A 34 -23.767 13.120 -3.906 1.00 0.00 O ATOM 0 H SER A 34 -20.656 11.513 -5.328 1.00 0.00 H new ATOM 0 HA SER A 34 -22.285 10.148 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 34 -23.497 11.471 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 34 -22.049 12.407 -3.001 1.00 0.00 H new ATOM 0 HG SER A 34 -23.957 13.012 -4.861 1.00 0.00 H new ATOM 486 N ASN A 35 -23.815 9.990 -6.434 1.00 0.00 N ATOM 487 CA ASN A 35 -25.004 9.720 -7.294 1.00 0.00 C ATOM 488 C ASN A 35 -24.958 8.291 -7.839 1.00 0.00 C ATOM 489 O ASN A 35 -25.071 8.066 -9.028 1.00 0.00 O ATOM 490 CB ASN A 35 -24.910 10.735 -8.437 1.00 0.00 C ATOM 491 CG ASN A 35 -23.615 10.511 -9.220 1.00 0.00 C ATOM 492 OD1 ASN A 35 -22.535 10.743 -8.714 1.00 0.00 O ATOM 493 ND2 ASN A 35 -23.678 10.070 -10.447 1.00 0.00 N ATOM 0 H ASN A 35 -22.990 9.428 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 35 -25.938 9.815 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -25.769 10.632 -9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -24.935 11.749 -8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -22.821 9.921 -10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.584 9.875 -10.873 1.00 0.00 H new ATOM 500 N THR A 36 -24.797 7.324 -6.979 1.00 0.00 N ATOM 501 CA THR A 36 -24.748 5.910 -7.453 1.00 0.00 C ATOM 502 C THR A 36 -25.487 4.995 -6.477 1.00 0.00 C ATOM 503 O THR A 36 -24.983 3.967 -6.071 1.00 0.00 O ATOM 504 CB THR A 36 -23.260 5.553 -7.503 1.00 0.00 C ATOM 505 OG1 THR A 36 -22.482 6.733 -7.359 1.00 0.00 O ATOM 506 CG2 THR A 36 -22.937 4.889 -8.843 1.00 0.00 C ATOM 0 H THR A 36 -24.697 7.450 -5.972 1.00 0.00 H new ATOM 0 HA THR A 36 -25.227 5.788 -8.424 1.00 0.00 H new ATOM 0 HB THR A 36 -23.027 4.864 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 36 -21.530 6.503 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 36 -21.877 4.635 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 36 -23.531 3.982 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 36 -23.172 5.576 -9.656 1.00 0.00 H new ATOM 514 N TYR A 37 -26.677 5.361 -6.098 1.00 0.00 N ATOM 515 CA TYR A 37 -27.450 4.518 -5.151 1.00 0.00 C ATOM 516 C TYR A 37 -28.748 4.037 -5.807 1.00 0.00 C ATOM 517 O TYR A 37 -29.260 4.753 -6.653 1.00 0.00 O ATOM 518 CB TYR A 37 -27.757 5.443 -3.979 1.00 0.00 C ATOM 519 CG TYR A 37 -28.414 6.703 -4.489 1.00 0.00 C ATOM 520 CD1 TYR A 37 -29.791 6.717 -4.743 1.00 0.00 C ATOM 521 CD2 TYR A 37 -27.649 7.854 -4.710 1.00 0.00 C ATOM 522 CE1 TYR A 37 -30.403 7.883 -5.217 1.00 0.00 C ATOM 523 CE2 TYR A 37 -28.261 9.020 -5.183 1.00 0.00 C ATOM 524 CZ TYR A 37 -29.639 9.035 -5.437 1.00 0.00 C ATOM 525 OH TYR A 37 -30.242 10.186 -5.905 1.00 0.00 O ATOM 526 OXT TYR A 37 -29.205 2.963 -5.453 1.00 0.00 O ATOM 0 H TYR A 37 -27.149 6.212 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 37 -26.903 3.627 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -28.413 4.941 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -26.838 5.689 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -30.381 5.828 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -26.587 7.842 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -31.465 7.894 -5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -27.671 9.909 -5.352 1.00 0.00 H new ATOM 0 HH TYR A 37 -29.569 10.892 -6.001 1.00 0.00 H new TER 536 TYR A 37