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 30 THR OG1 : rot 180:sc= -0.396 USER MOD Set 1.2: A 35 ASN : amide:sc= -1.78 K(o=-2.2,f=-4.9!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0686) USER MOD Single : A 3 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 4 THR OG1 : rot -170:sc= -1.67 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 128:sc= 0.96 USER MOD Single : A 10 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.039) USER MOD Single : A 14 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.223 K(o=-0.22,f=-2) USER MOD Single : A 28 SER OG : rot 67:sc= 0.796 USER MOD Single : A 29 SER OG : rot -23:sc= 0.047 USER MOD Single : A 31 ASN : amide:sc= -4.31! C(o=-4.3!,f=-15!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 49:sc= 0.337 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.111 -18.309 3.183 1.00 0.00 N ATOM 2 CA LYS A 1 -13.020 -19.318 3.294 1.00 0.00 C ATOM 3 C LYS A 1 -12.925 -20.140 2.006 1.00 0.00 C ATOM 4 O LYS A 1 -13.727 -21.019 1.759 1.00 0.00 O ATOM 5 CB LYS A 1 -13.419 -20.208 4.472 1.00 0.00 C ATOM 6 CG LYS A 1 -12.254 -20.304 5.458 1.00 0.00 C ATOM 7 CD LYS A 1 -12.728 -20.983 6.744 1.00 0.00 C ATOM 8 CE LYS A 1 -12.006 -22.322 6.911 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.612 -23.218 5.886 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.165 -17.758 4.063 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.914 -17.670 2.386 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.017 -18.794 3.022 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.045 -18.855 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.298 -19.798 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.690 -21.202 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.435 -20.871 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.869 -19.309 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.528 -20.341 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.806 -21.141 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.933 -22.214 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.144 -22.722 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.335 -24.202 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.648 -23.137 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.277 -22.941 4.941 1.00 0.00 H new ATOM 25 N CYS A 2 -11.951 -19.861 1.186 1.00 0.00 N ATOM 26 CA CYS A 2 -11.799 -20.624 -0.086 1.00 0.00 C ATOM 27 C CYS A 2 -11.796 -22.129 0.196 1.00 0.00 C ATOM 28 O CYS A 2 -12.748 -22.829 -0.083 1.00 0.00 O ATOM 29 CB CYS A 2 -10.444 -20.184 -0.641 1.00 0.00 C ATOM 30 SG CYS A 2 -10.041 -21.161 -2.111 1.00 0.00 S ATOM 0 H CYS A 2 -11.251 -19.135 1.341 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.614 -20.434 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.470 -19.124 -0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.671 -20.313 0.116 1.00 0.00 H new ATOM 35 N ASN A 3 -10.726 -22.623 0.749 1.00 0.00 N ATOM 36 CA ASN A 3 -10.631 -24.076 1.058 1.00 0.00 C ATOM 37 C ASN A 3 -9.257 -24.341 1.659 1.00 0.00 C ATOM 38 O ASN A 3 -9.086 -25.159 2.540 1.00 0.00 O ATOM 39 CB ASN A 3 -10.781 -24.785 -0.290 1.00 0.00 C ATOM 40 CG ASN A 3 -11.434 -26.152 -0.079 1.00 0.00 C ATOM 41 OD1 ASN A 3 -12.274 -26.563 -0.856 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.083 -26.878 0.945 1.00 0.00 N ATOM 0 H ASN A 3 -9.903 -22.076 1.003 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.385 -24.421 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.387 -24.181 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.805 -24.905 -0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.513 -27.791 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.378 -26.533 1.597 1.00 0.00 H new ATOM 49 N THR A 4 -8.283 -23.621 1.185 1.00 0.00 N ATOM 50 CA THR A 4 -6.904 -23.767 1.704 1.00 0.00 C ATOM 51 C THR A 4 -6.397 -22.404 2.156 1.00 0.00 C ATOM 52 O THR A 4 -6.385 -21.457 1.401 1.00 0.00 O ATOM 53 CB THR A 4 -6.097 -24.291 0.518 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.196 -23.375 -0.562 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.649 -25.650 0.088 1.00 0.00 C ATOM 0 H THR A 4 -8.389 -22.926 0.446 1.00 0.00 H new ATOM 0 HA THR A 4 -6.832 -24.438 2.560 1.00 0.00 H new ATOM 0 HB THR A 4 -5.052 -24.399 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.815 -23.779 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.074 -26.025 -0.759 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.573 -26.353 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.694 -25.543 -0.202 1.00 0.00 H new ATOM 63 N ALA A 5 -5.978 -22.300 3.384 1.00 0.00 N ATOM 64 CA ALA A 5 -5.465 -20.995 3.891 1.00 0.00 C ATOM 65 C ALA A 5 -4.577 -20.338 2.831 1.00 0.00 C ATOM 66 O ALA A 5 -4.386 -19.138 2.824 1.00 0.00 O ATOM 67 CB ALA A 5 -4.647 -21.345 5.135 1.00 0.00 C ATOM 0 H ALA A 5 -5.968 -23.063 4.061 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.267 -20.293 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.234 -20.434 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.289 -21.835 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.834 -22.016 4.859 1.00 0.00 H new ATOM 73 N THR A 6 -4.041 -21.116 1.929 1.00 0.00 N ATOM 74 CA THR A 6 -3.174 -20.538 0.862 1.00 0.00 C ATOM 75 C THR A 6 -4.041 -19.883 -0.215 1.00 0.00 C ATOM 76 O THR A 6 -3.639 -18.937 -0.857 1.00 0.00 O ATOM 77 CB THR A 6 -2.395 -21.723 0.283 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.722 -21.311 -0.898 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.361 -22.863 -0.052 1.00 0.00 C ATOM 0 H THR A 6 -4.166 -22.127 1.885 1.00 0.00 H new ATOM 0 HA THR A 6 -2.503 -19.769 1.246 1.00 0.00 H new ATOM 0 HB THR A 6 -1.668 -22.072 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.221 -22.067 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.803 -23.704 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.878 -23.179 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.090 -22.518 -0.785 1.00 0.00 H new ATOM 87 N CYS A 7 -5.234 -20.375 -0.411 1.00 0.00 N ATOM 88 CA CYS A 7 -6.130 -19.774 -1.437 1.00 0.00 C ATOM 89 C CYS A 7 -6.958 -18.660 -0.805 1.00 0.00 C ATOM 90 O CYS A 7 -6.832 -17.503 -1.154 1.00 0.00 O ATOM 91 CB CYS A 7 -7.028 -20.918 -1.904 1.00 0.00 C ATOM 92 SG CYS A 7 -8.406 -20.249 -2.870 1.00 0.00 S ATOM 0 H CYS A 7 -5.626 -21.168 0.096 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.579 -19.334 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.454 -21.621 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.407 -21.471 -1.045 1.00 0.00 H new ATOM 97 N ALA A 8 -7.793 -18.997 0.137 1.00 0.00 N ATOM 98 CA ALA A 8 -8.614 -17.950 0.806 1.00 0.00 C ATOM 99 C ALA A 8 -7.725 -16.753 1.129 1.00 0.00 C ATOM 100 O ALA A 8 -8.026 -15.633 0.779 1.00 0.00 O ATOM 101 CB ALA A 8 -9.136 -18.602 2.087 1.00 0.00 C ATOM 0 H ALA A 8 -7.942 -19.949 0.472 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.435 -17.593 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.751 -17.888 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.735 -19.476 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.294 -18.907 2.709 1.00 0.00 H new ATOM 107 N THR A 9 -6.615 -16.984 1.773 1.00 0.00 N ATOM 108 CA THR A 9 -5.705 -15.853 2.090 1.00 0.00 C ATOM 109 C THR A 9 -5.303 -15.147 0.793 1.00 0.00 C ATOM 110 O THR A 9 -5.363 -13.937 0.690 1.00 0.00 O ATOM 111 CB THR A 9 -4.486 -16.491 2.756 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.891 -17.152 3.944 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.461 -15.410 3.093 1.00 0.00 C ATOM 0 H THR A 9 -6.302 -17.901 2.091 1.00 0.00 H new ATOM 0 HA THR A 9 -6.169 -15.109 2.738 1.00 0.00 H new ATOM 0 HB THR A 9 -4.035 -17.213 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.558 -18.074 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.593 -15.867 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.151 -14.905 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.907 -14.685 3.774 1.00 0.00 H new ATOM 121 N GLN A 10 -4.896 -15.893 -0.201 1.00 0.00 N ATOM 122 CA GLN A 10 -4.496 -15.259 -1.485 1.00 0.00 C ATOM 123 C GLN A 10 -5.711 -14.638 -2.182 1.00 0.00 C ATOM 124 O GLN A 10 -5.582 -13.789 -3.045 1.00 0.00 O ATOM 125 CB GLN A 10 -3.925 -16.397 -2.330 1.00 0.00 C ATOM 126 CG GLN A 10 -2.984 -15.829 -3.393 1.00 0.00 C ATOM 127 CD GLN A 10 -1.540 -15.953 -2.906 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.626 -16.068 -3.699 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.294 -15.936 -1.626 1.00 0.00 N ATOM 0 H GLN A 10 -4.825 -16.910 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.774 -14.456 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.388 -17.101 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.734 -16.951 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.111 -16.367 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.226 -14.784 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.061 -15.839 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.335 -16.019 -1.290 1.00 0.00 H new ATOM 138 N ARG A 11 -6.896 -15.026 -1.793 1.00 0.00 N ATOM 139 CA ARG A 11 -8.107 -14.434 -2.419 1.00 0.00 C ATOM 140 C ARG A 11 -8.490 -13.241 -1.584 1.00 0.00 C ATOM 141 O ARG A 11 -8.790 -12.168 -2.071 1.00 0.00 O ATOM 142 CB ARG A 11 -9.176 -15.525 -2.344 1.00 0.00 C ATOM 143 CG ARG A 11 -10.264 -15.237 -3.375 1.00 0.00 C ATOM 144 CD ARG A 11 -10.630 -16.530 -4.102 1.00 0.00 C ATOM 145 NE ARG A 11 -9.643 -16.638 -5.212 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.889 -17.418 -6.227 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.824 -18.326 -6.140 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.201 -17.290 -7.329 1.00 0.00 N ATOM 0 H ARG A 11 -7.075 -15.725 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.967 -14.112 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.729 -16.501 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.607 -15.560 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.144 -14.821 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.915 -14.491 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.569 -17.389 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.651 -16.494 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.776 -16.102 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.361 -18.424 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.017 -18.937 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.472 -16.580 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.393 -17.900 -8.124 1.00 0.00 H new ATOM 162 N LEU A 12 -8.431 -13.434 -0.309 1.00 0.00 N ATOM 163 CA LEU A 12 -8.728 -12.348 0.635 1.00 0.00 C ATOM 164 C LEU A 12 -7.660 -11.265 0.506 1.00 0.00 C ATOM 165 O LEU A 12 -7.942 -10.087 0.583 1.00 0.00 O ATOM 166 CB LEU A 12 -8.664 -13.034 1.991 1.00 0.00 C ATOM 167 CG LEU A 12 -10.062 -13.505 2.399 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.943 -12.291 2.695 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.684 -14.313 1.257 1.00 0.00 C ATOM 0 H LEU A 12 -8.183 -14.322 0.127 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.688 -11.859 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.982 -13.883 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.269 -12.346 2.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.987 -14.129 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.939 -12.626 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.504 -11.712 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.016 -11.668 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.679 -14.648 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.758 -13.688 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.058 -15.179 1.041 1.00 0.00 H new ATOM 181 N ALA A 13 -6.436 -11.661 0.288 1.00 0.00 N ATOM 182 CA ALA A 13 -5.348 -10.659 0.129 1.00 0.00 C ATOM 183 C ALA A 13 -5.530 -9.927 -1.198 1.00 0.00 C ATOM 184 O ALA A 13 -5.177 -8.773 -1.342 1.00 0.00 O ATOM 185 CB ALA A 13 -4.052 -11.469 0.128 1.00 0.00 C ATOM 0 H ALA A 13 -6.144 -12.635 0.213 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.345 -9.909 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.202 -10.796 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.961 -12.012 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.067 -12.178 -0.700 1.00 0.00 H new ATOM 191 N ASN A 14 -6.102 -10.593 -2.163 1.00 0.00 N ATOM 192 CA ASN A 14 -6.341 -9.950 -3.482 1.00 0.00 C ATOM 193 C ASN A 14 -7.258 -8.746 -3.283 1.00 0.00 C ATOM 194 O ASN A 14 -7.029 -7.680 -3.817 1.00 0.00 O ATOM 195 CB ASN A 14 -7.035 -11.023 -4.324 1.00 0.00 C ATOM 196 CG ASN A 14 -6.733 -10.794 -5.806 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.141 -11.635 -6.454 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.120 -9.685 -6.377 1.00 0.00 N ATOM 0 H ASN A 14 -6.415 -11.561 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.427 -9.597 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.693 -12.013 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.111 -10.992 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.925 -9.525 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.617 -8.978 -5.834 1.00 0.00 H new ATOM 205 N PHE A 15 -8.287 -8.908 -2.495 1.00 0.00 N ATOM 206 CA PHE A 15 -9.209 -7.767 -2.236 1.00 0.00 C ATOM 207 C PHE A 15 -8.623 -6.916 -1.115 1.00 0.00 C ATOM 208 O PHE A 15 -8.911 -5.745 -0.989 1.00 0.00 O ATOM 209 CB PHE A 15 -10.544 -8.377 -1.781 1.00 0.00 C ATOM 210 CG PHE A 15 -10.747 -9.739 -2.403 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.402 -9.959 -3.742 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.276 -10.783 -1.635 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.589 -11.222 -4.312 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.461 -12.045 -2.205 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.119 -12.265 -3.544 1.00 0.00 C ATOM 0 H PHE A 15 -8.528 -9.779 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.348 -7.144 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.560 -8.462 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.365 -7.717 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.992 -9.154 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.541 -10.613 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.324 -11.393 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.868 -12.851 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.264 -13.240 -3.985 1.00 0.00 H new ATOM 225 N LEU A 16 -7.791 -7.503 -0.299 1.00 0.00 N ATOM 226 CA LEU A 16 -7.182 -6.727 0.817 1.00 0.00 C ATOM 227 C LEU A 16 -6.407 -5.535 0.258 1.00 0.00 C ATOM 228 O LEU A 16 -6.680 -4.396 0.582 1.00 0.00 O ATOM 229 CB LEU A 16 -6.238 -7.704 1.515 1.00 0.00 C ATOM 230 CG LEU A 16 -6.149 -7.357 3.001 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.882 -5.859 3.163 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.471 -7.715 3.684 1.00 0.00 C ATOM 0 H LEU A 16 -7.508 -8.481 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.930 -6.330 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.598 -8.725 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.248 -7.657 1.060 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.336 -7.921 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.819 -5.613 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.942 -5.602 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.695 -5.293 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.411 -7.469 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.282 -7.150 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.662 -8.782 3.570 1.00 0.00 H new ATOM 244 N VAL A 17 -5.444 -5.789 -0.583 1.00 0.00 N ATOM 245 CA VAL A 17 -4.654 -4.665 -1.163 1.00 0.00 C ATOM 246 C VAL A 17 -5.507 -3.875 -2.160 1.00 0.00 C ATOM 247 O VAL A 17 -5.352 -2.678 -2.310 1.00 0.00 O ATOM 248 CB VAL A 17 -3.479 -5.333 -1.879 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.832 -4.334 -2.841 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.442 -5.786 -0.848 1.00 0.00 C ATOM 0 H VAL A 17 -5.170 -6.721 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.321 -3.961 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.840 -6.197 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.995 -4.810 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.568 -4.009 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.472 -3.471 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.605 -6.262 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.082 -4.922 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.899 -6.497 -0.160 1.00 0.00 H new ATOM 260 N HIS A 18 -6.403 -4.531 -2.844 1.00 0.00 N ATOM 261 CA HIS A 18 -7.250 -3.809 -3.831 1.00 0.00 C ATOM 262 C HIS A 18 -8.408 -3.116 -3.126 1.00 0.00 C ATOM 263 O HIS A 18 -8.481 -1.909 -3.071 1.00 0.00 O ATOM 264 CB HIS A 18 -7.780 -4.892 -4.773 1.00 0.00 C ATOM 265 CG HIS A 18 -6.809 -5.084 -5.902 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.200 -5.572 -7.156 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.458 -4.855 -5.989 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.099 -5.616 -7.936 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.042 -5.192 -7.262 1.00 0.00 N ATOM 0 H HIS A 18 -6.584 -5.531 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.690 -3.040 -4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.915 -5.828 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.757 -4.605 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.828 -4.476 -5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.083 -5.950 -8.963 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.089 -5.126 -7.619 1.00 0.00 H new ATOM 277 N SER A 19 -9.319 -3.879 -2.601 1.00 0.00 N ATOM 278 CA SER A 19 -10.498 -3.270 -1.911 1.00 0.00 C ATOM 279 C SER A 19 -10.090 -2.046 -1.098 1.00 0.00 C ATOM 280 O SER A 19 -10.787 -1.051 -1.070 1.00 0.00 O ATOM 281 CB SER A 19 -11.052 -4.362 -0.999 1.00 0.00 C ATOM 282 OG SER A 19 -12.349 -3.986 -0.554 1.00 0.00 O ATOM 0 H SER A 19 -9.304 -4.899 -2.616 1.00 0.00 H new ATOM 0 HA SER A 19 -11.242 -2.927 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.099 -5.310 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.390 -4.510 -0.146 1.00 0.00 H new ATOM 0 HG SER A 19 -12.710 -4.685 0.031 1.00 0.00 H new ATOM 288 N SER A 20 -8.975 -2.098 -0.438 1.00 0.00 N ATOM 289 CA SER A 20 -8.545 -0.923 0.364 1.00 0.00 C ATOM 290 C SER A 20 -8.242 0.256 -0.559 1.00 0.00 C ATOM 291 O SER A 20 -8.876 1.290 -0.493 1.00 0.00 O ATOM 292 CB SER A 20 -7.281 -1.375 1.093 1.00 0.00 C ATOM 293 OG SER A 20 -6.419 -0.259 1.273 1.00 0.00 O ATOM 0 H SER A 20 -8.343 -2.898 -0.417 1.00 0.00 H new ATOM 0 HA SER A 20 -9.315 -0.594 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.540 -1.809 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.775 -2.152 0.520 1.00 0.00 H new ATOM 0 HG SER A 20 -5.607 -0.545 1.742 1.00 0.00 H new ATOM 299 N ASN A 21 -7.280 0.107 -1.420 1.00 0.00 N ATOM 300 CA ASN A 21 -6.933 1.220 -2.353 1.00 0.00 C ATOM 301 C ASN A 21 -7.700 1.075 -3.672 1.00 0.00 C ATOM 302 O ASN A 21 -7.286 1.578 -4.697 1.00 0.00 O ATOM 303 CB ASN A 21 -5.428 1.091 -2.588 1.00 0.00 C ATOM 304 CG ASN A 21 -4.809 2.486 -2.697 1.00 0.00 C ATOM 305 OD1 ASN A 21 -4.502 2.945 -3.780 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.613 3.187 -1.613 1.00 0.00 N ATOM 0 H ASN A 21 -6.716 -0.737 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.198 2.194 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.967 0.540 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.238 0.525 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.203 4.119 -1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.870 2.803 -0.704 1.00 0.00 H new ATOM 313 N ASN A 22 -8.803 0.380 -3.662 1.00 0.00 N ATOM 314 CA ASN A 22 -9.572 0.195 -4.925 1.00 0.00 C ATOM 315 C ASN A 22 -10.638 1.278 -5.082 1.00 0.00 C ATOM 316 O ASN A 22 -10.592 2.076 -5.995 1.00 0.00 O ATOM 317 CB ASN A 22 -10.226 -1.182 -4.801 1.00 0.00 C ATOM 318 CG ASN A 22 -11.272 -1.352 -5.904 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.399 -0.923 -5.760 1.00 0.00 O ATOM 320 ND2 ASN A 22 -10.941 -1.964 -7.009 1.00 0.00 N ATOM 0 H ASN A 22 -9.204 -0.067 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.926 0.266 -5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.470 -1.964 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.694 -1.287 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.629 -2.082 -7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.994 -2.324 -7.129 1.00 0.00 H new ATOM 327 N PHE A 23 -11.591 1.309 -4.197 1.00 0.00 N ATOM 328 CA PHE A 23 -12.668 2.334 -4.291 1.00 0.00 C ATOM 329 C PHE A 23 -12.053 3.678 -4.668 1.00 0.00 C ATOM 330 O PHE A 23 -12.639 4.477 -5.371 1.00 0.00 O ATOM 331 CB PHE A 23 -13.286 2.382 -2.889 1.00 0.00 C ATOM 332 CG PHE A 23 -12.368 3.136 -1.957 1.00 0.00 C ATOM 333 CD1 PHE A 23 -12.300 4.532 -2.023 1.00 0.00 C ATOM 334 CD2 PHE A 23 -11.582 2.439 -1.033 1.00 0.00 C ATOM 335 CE1 PHE A 23 -11.447 5.233 -1.166 1.00 0.00 C ATOM 336 CE2 PHE A 23 -10.725 3.140 -0.176 1.00 0.00 C ATOM 337 CZ PHE A 23 -10.658 4.537 -0.243 1.00 0.00 C ATOM 0 H PHE A 23 -11.672 0.667 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.417 2.102 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -14.261 2.867 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -13.448 1.370 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.907 5.068 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.636 1.362 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.397 6.311 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.116 2.603 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.997 5.078 0.418 1.00 0.00 H new ATOM 347 N GLY A 24 -10.862 3.922 -4.203 1.00 0.00 N ATOM 348 CA GLY A 24 -10.180 5.206 -4.525 1.00 0.00 C ATOM 349 C GLY A 24 -9.363 5.046 -5.808 1.00 0.00 C ATOM 350 O GLY A 24 -9.119 5.998 -6.521 1.00 0.00 O ATOM 0 H GLY A 24 -10.328 3.285 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.917 6.000 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.529 5.500 -3.702 1.00 0.00 H new ATOM 354 N ALA A 25 -8.935 3.849 -6.107 1.00 0.00 N ATOM 355 CA ALA A 25 -8.130 3.634 -7.345 1.00 0.00 C ATOM 356 C ALA A 25 -9.031 3.639 -8.584 1.00 0.00 C ATOM 357 O ALA A 25 -8.575 3.874 -9.686 1.00 0.00 O ATOM 358 CB ALA A 25 -7.475 2.265 -7.167 1.00 0.00 C ATOM 0 H ALA A 25 -9.107 3.012 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.393 4.424 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.865 2.037 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.845 2.276 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.247 1.504 -7.055 1.00 0.00 H new ATOM 364 N ILE A 26 -10.306 3.399 -8.423 1.00 0.00 N ATOM 365 CA ILE A 26 -11.213 3.412 -9.605 1.00 0.00 C ATOM 366 C ILE A 26 -11.743 4.819 -9.745 1.00 0.00 C ATOM 367 O ILE A 26 -11.726 5.411 -10.806 1.00 0.00 O ATOM 368 CB ILE A 26 -12.324 2.414 -9.281 1.00 0.00 C ATOM 369 CG1 ILE A 26 -11.728 1.171 -8.600 1.00 0.00 C ATOM 370 CG2 ILE A 26 -13.027 1.995 -10.573 1.00 0.00 C ATOM 371 CD1 ILE A 26 -10.311 0.890 -9.128 1.00 0.00 C ATOM 0 H ILE A 26 -10.755 3.196 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.731 3.135 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.041 2.884 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.696 1.321 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.368 0.308 -8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.819 1.283 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.457 2.873 -11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.306 1.530 -11.245 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.907 0.007 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.351 0.717 -10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.669 1.747 -8.922 1.00 0.00 H new ATOM 383 N LEU A 27 -12.144 5.385 -8.648 1.00 0.00 N ATOM 384 CA LEU A 27 -12.594 6.787 -8.675 1.00 0.00 C ATOM 385 C LEU A 27 -11.424 7.618 -9.210 1.00 0.00 C ATOM 386 O LEU A 27 -11.583 8.722 -9.692 1.00 0.00 O ATOM 387 CB LEU A 27 -12.881 7.095 -7.211 1.00 0.00 C ATOM 388 CG LEU A 27 -14.347 6.779 -6.905 1.00 0.00 C ATOM 389 CD1 LEU A 27 -14.590 6.877 -5.398 1.00 0.00 C ATOM 390 CD2 LEU A 27 -15.248 7.781 -7.632 1.00 0.00 C ATOM 0 H LEU A 27 -12.178 4.932 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.465 6.992 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.228 6.504 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.672 8.144 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.577 5.769 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.634 6.652 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.950 6.163 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.359 7.886 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.292 7.556 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.016 8.791 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.078 7.710 -8.706 1.00 0.00 H new ATOM 402 N SER A 28 -10.242 7.055 -9.132 1.00 0.00 N ATOM 403 CA SER A 28 -9.025 7.739 -9.634 1.00 0.00 C ATOM 404 C SER A 28 -8.951 7.624 -11.158 1.00 0.00 C ATOM 405 O SER A 28 -8.084 8.192 -11.792 1.00 0.00 O ATOM 406 CB SER A 28 -7.875 6.962 -8.991 1.00 0.00 C ATOM 407 OG SER A 28 -7.676 7.432 -7.665 1.00 0.00 O ATOM 0 H SER A 28 -10.074 6.132 -8.732 1.00 0.00 H new ATOM 0 HA SER A 28 -9.005 8.802 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.102 5.896 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.963 7.089 -9.575 1.00 0.00 H new ATOM 0 HG SER A 28 -8.454 7.200 -7.116 1.00 0.00 H new ATOM 413 N SER A 29 -9.850 6.886 -11.750 1.00 0.00 N ATOM 414 CA SER A 29 -9.828 6.724 -13.230 1.00 0.00 C ATOM 415 C SER A 29 -11.156 6.144 -13.706 1.00 0.00 C ATOM 416 O SER A 29 -11.223 5.051 -14.234 1.00 0.00 O ATOM 417 CB SER A 29 -8.686 5.748 -13.506 1.00 0.00 C ATOM 418 OG SER A 29 -7.473 6.284 -12.993 1.00 0.00 O ATOM 0 H SER A 29 -10.600 6.388 -11.271 1.00 0.00 H new ATOM 0 HA SER A 29 -9.685 7.671 -13.751 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.896 4.785 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.594 5.572 -14.578 1.00 0.00 H new ATOM 0 HG SER A 29 -7.548 7.259 -12.927 1.00 0.00 H new ATOM 424 N THR A 30 -12.212 6.872 -13.513 1.00 0.00 N ATOM 425 CA THR A 30 -13.552 6.382 -13.940 1.00 0.00 C ATOM 426 C THR A 30 -14.217 7.400 -14.857 1.00 0.00 C ATOM 427 O THR A 30 -14.774 7.064 -15.882 1.00 0.00 O ATOM 428 CB THR A 30 -14.340 6.236 -12.639 1.00 0.00 C ATOM 429 OG1 THR A 30 -15.674 5.842 -12.930 1.00 0.00 O ATOM 430 CG2 THR A 30 -14.351 7.563 -11.880 1.00 0.00 C ATOM 0 H THR A 30 -12.209 7.793 -13.075 1.00 0.00 H new ATOM 0 HA THR A 30 -13.497 5.446 -14.496 1.00 0.00 H new ATOM 0 HB THR A 30 -13.864 5.476 -12.019 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.177 5.748 -12.094 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.915 7.448 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.328 7.857 -11.647 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.818 8.331 -12.497 1.00 0.00 H new ATOM 438 N ASN A 31 -14.154 8.642 -14.487 1.00 0.00 N ATOM 439 CA ASN A 31 -14.775 9.718 -15.322 1.00 0.00 C ATOM 440 C ASN A 31 -14.816 11.044 -14.549 1.00 0.00 C ATOM 441 O ASN A 31 -14.912 12.104 -15.135 1.00 0.00 O ATOM 442 CB ASN A 31 -16.199 9.229 -15.623 1.00 0.00 C ATOM 443 CG ASN A 31 -17.067 10.407 -16.072 1.00 0.00 C ATOM 444 OD1 ASN A 31 -17.243 11.361 -15.339 1.00 0.00 O ATOM 445 ND2 ASN A 31 -17.621 10.383 -17.254 1.00 0.00 N ATOM 0 H ASN A 31 -13.697 8.969 -13.636 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.207 9.901 -16.234 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.175 8.466 -16.401 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.630 8.766 -14.735 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.201 11.164 -17.562 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.474 9.583 -17.870 1.00 0.00 H new ATOM 452 N VAL A 32 -14.754 10.995 -13.245 1.00 0.00 N ATOM 453 CA VAL A 32 -14.798 12.253 -12.438 1.00 0.00 C ATOM 454 C VAL A 32 -16.201 12.866 -12.492 1.00 0.00 C ATOM 455 O VAL A 32 -16.406 14.001 -12.113 1.00 0.00 O ATOM 456 CB VAL A 32 -13.778 13.199 -13.080 1.00 0.00 C ATOM 457 CG1 VAL A 32 -13.404 14.296 -12.082 1.00 0.00 C ATOM 458 CG2 VAL A 32 -12.519 12.419 -13.468 1.00 0.00 C ATOM 0 H VAL A 32 -14.675 10.136 -12.701 1.00 0.00 H new ATOM 0 HA VAL A 32 -14.565 12.067 -11.389 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.216 13.646 -13.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.678 14.970 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.297 14.857 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.970 13.844 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.797 13.097 -13.924 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.081 11.968 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.781 11.636 -14.179 1.00 0.00 H new ATOM 468 N GLY A 33 -17.169 12.123 -12.959 1.00 0.00 N ATOM 469 CA GLY A 33 -18.555 12.666 -13.033 1.00 0.00 C ATOM 470 C GLY A 33 -19.544 11.619 -12.513 1.00 0.00 C ATOM 471 O GLY A 33 -19.614 11.353 -11.329 1.00 0.00 O ATOM 0 H GLY A 33 -17.059 11.165 -13.292 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.631 13.578 -12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.798 12.932 -14.062 1.00 0.00 H new ATOM 475 N SER A 34 -20.307 11.022 -13.388 1.00 0.00 N ATOM 476 CA SER A 34 -21.290 9.991 -12.945 1.00 0.00 C ATOM 477 C SER A 34 -20.911 8.625 -13.517 1.00 0.00 C ATOM 478 O SER A 34 -21.225 7.595 -12.953 1.00 0.00 O ATOM 479 CB SER A 34 -22.632 10.452 -13.510 1.00 0.00 C ATOM 480 OG SER A 34 -22.757 11.857 -13.337 1.00 0.00 O ATOM 0 H SER A 34 -20.292 11.204 -14.392 1.00 0.00 H new ATOM 0 HA SER A 34 -21.319 9.887 -11.860 1.00 0.00 H new ATOM 0 HB2 SER A 34 -22.701 10.197 -14.567 1.00 0.00 H new ATOM 0 HB3 SER A 34 -23.449 9.938 -13.004 1.00 0.00 H new ATOM 0 HG SER A 34 -23.617 12.156 -13.700 1.00 0.00 H new ATOM 486 N ASN A 35 -20.237 8.609 -14.633 1.00 0.00 N ATOM 487 CA ASN A 35 -19.834 7.312 -15.241 1.00 0.00 C ATOM 488 C ASN A 35 -21.053 6.415 -15.458 1.00 0.00 C ATOM 489 O ASN A 35 -22.182 6.863 -15.435 1.00 0.00 O ATOM 490 CB ASN A 35 -18.881 6.678 -14.228 1.00 0.00 C ATOM 491 CG ASN A 35 -17.826 5.856 -14.968 1.00 0.00 C ATOM 492 OD1 ASN A 35 -17.214 6.332 -15.903 1.00 0.00 O ATOM 493 ND2 ASN A 35 -17.587 4.631 -14.587 1.00 0.00 N ATOM 0 H ASN A 35 -19.948 9.439 -15.150 1.00 0.00 H new ATOM 0 HA ASN A 35 -19.367 7.448 -16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -18.401 7.452 -13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -19.436 6.042 -13.539 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.886 4.073 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -18.101 4.232 -13.802 1.00 0.00 H new ATOM 500 N THR A 36 -20.822 5.151 -15.675 1.00 0.00 N ATOM 501 CA THR A 36 -21.947 4.197 -15.905 1.00 0.00 C ATOM 502 C THR A 36 -23.144 4.537 -15.013 1.00 0.00 C ATOM 503 O THR A 36 -23.193 4.173 -13.854 1.00 0.00 O ATOM 504 CB THR A 36 -21.381 2.827 -15.534 1.00 0.00 C ATOM 505 OG1 THR A 36 -20.706 2.916 -14.287 1.00 0.00 O ATOM 506 CG2 THR A 36 -20.403 2.368 -16.616 1.00 0.00 C ATOM 0 H THR A 36 -19.893 4.732 -15.704 1.00 0.00 H new ATOM 0 HA THR A 36 -22.306 4.234 -16.933 1.00 0.00 H new ATOM 0 HB THR A 36 -22.195 2.106 -15.454 1.00 0.00 H new ATOM 0 HG1 THR A 36 -21.276 3.379 -13.639 1.00 0.00 H new ATOM 0 HG21 THR A 36 -20.000 1.391 -16.351 1.00 0.00 H new ATOM 0 HG22 THR A 36 -20.923 2.299 -17.571 1.00 0.00 H new ATOM 0 HG23 THR A 36 -19.588 3.087 -16.698 1.00 0.00 H new ATOM 514 N TYR A 37 -24.114 5.226 -15.550 1.00 0.00 N ATOM 515 CA TYR A 37 -25.316 5.584 -14.742 1.00 0.00 C ATOM 516 C TYR A 37 -26.141 4.329 -14.442 1.00 0.00 C ATOM 517 O TYR A 37 -27.315 4.474 -14.144 1.00 0.00 O ATOM 518 CB TYR A 37 -26.114 6.553 -15.618 1.00 0.00 C ATOM 519 CG TYR A 37 -26.254 5.984 -17.010 1.00 0.00 C ATOM 520 CD1 TYR A 37 -27.127 4.915 -17.248 1.00 0.00 C ATOM 521 CD2 TYR A 37 -25.508 6.528 -18.063 1.00 0.00 C ATOM 522 CE1 TYR A 37 -27.252 4.390 -18.540 1.00 0.00 C ATOM 523 CE2 TYR A 37 -25.635 6.003 -19.355 1.00 0.00 C ATOM 524 CZ TYR A 37 -26.507 4.934 -19.593 1.00 0.00 C ATOM 525 OH TYR A 37 -26.630 4.417 -20.866 1.00 0.00 O ATOM 526 OXT TYR A 37 -25.585 3.246 -14.518 1.00 0.00 O ATOM 0 H TYR A 37 -24.126 5.557 -16.515 1.00 0.00 H new ATOM 0 HA TYR A 37 -25.050 6.029 -13.783 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -27.099 6.724 -15.184 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -25.612 7.519 -15.659 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -27.703 4.496 -16.436 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -24.835 7.352 -17.879 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -27.924 3.565 -18.724 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -25.060 6.423 -20.168 1.00 0.00 H new ATOM 0 HH TYR A 37 -26.044 4.910 -21.477 1.00 0.00 H new TER 536 TYR A 37