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 Single : A 1 LYS N :NH3+ -157:sc= -0.0543 (180deg=-0.284) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.038) USER MOD Single : A 4 THR OG1 : rot -83:sc= 0.642! USER MOD Single : A 6 THR OG1 : rot -173:sc= -1.3 USER MOD Single : A 9 THR OG1 : rot -141:sc= 0.406 USER MOD Single : A 10 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.095) USER MOD Single : A 14 ASN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00554 K(o=-0.0055,f=-1.4!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 121:sc= 0.706 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.812! USER MOD Single : A 31 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.318 USER MOD Single : A 35 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.311 -25.792 -5.380 1.00 0.00 N ATOM 2 CA LYS A 1 -8.281 -25.275 -3.980 1.00 0.00 C ATOM 3 C LYS A 1 -6.895 -25.491 -3.365 1.00 0.00 C ATOM 4 O LYS A 1 -6.317 -26.554 -3.474 1.00 0.00 O ATOM 5 CB LYS A 1 -9.327 -26.099 -3.228 1.00 0.00 C ATOM 6 CG LYS A 1 -10.685 -25.399 -3.296 1.00 0.00 C ATOM 7 CD LYS A 1 -11.438 -25.872 -4.539 1.00 0.00 C ATOM 8 CE LYS A 1 -12.902 -26.131 -4.180 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.217 -27.454 -4.787 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.071 -25.318 -5.909 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.398 -25.601 -5.840 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.485 -26.817 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.490 -24.206 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.399 -27.096 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.025 -26.226 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.265 -25.619 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.548 -24.318 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.373 -25.120 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.982 -26.782 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.047 -26.147 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.550 -25.350 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.206 -27.702 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.076 -27.406 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.589 -28.179 -4.385 1.00 0.00 H new ATOM 25 N CYS A 2 -6.363 -24.500 -2.705 1.00 0.00 N ATOM 26 CA CYS A 2 -5.021 -24.666 -2.077 1.00 0.00 C ATOM 27 C CYS A 2 -5.183 -25.272 -0.680 1.00 0.00 C ATOM 28 O CYS A 2 -5.051 -26.465 -0.489 1.00 0.00 O ATOM 29 CB CYS A 2 -4.430 -23.256 -1.986 1.00 0.00 C ATOM 30 SG CYS A 2 -4.456 -22.461 -3.612 1.00 0.00 S ATOM 0 H CYS A 2 -6.796 -23.586 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.374 -25.330 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.000 -22.660 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.407 -23.306 -1.614 1.00 0.00 H new ATOM 35 N ASN A 3 -5.476 -24.456 0.294 1.00 0.00 N ATOM 36 CA ASN A 3 -5.659 -24.967 1.677 1.00 0.00 C ATOM 37 C ASN A 3 -6.568 -24.016 2.454 1.00 0.00 C ATOM 38 O ASN A 3 -6.598 -24.030 3.666 1.00 0.00 O ATOM 39 CB ASN A 3 -4.257 -24.981 2.286 1.00 0.00 C ATOM 40 CG ASN A 3 -4.189 -26.032 3.396 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.119 -26.468 3.770 1.00 0.00 O ATOM 42 ND2 ASN A 3 -5.295 -26.461 3.944 1.00 0.00 N ATOM 0 H ASN A 3 -5.597 -23.449 0.188 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.119 -25.955 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.518 -25.202 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.014 -23.997 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.259 -27.161 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.194 -26.096 3.631 1.00 0.00 H new ATOM 49 N THR A 4 -7.299 -23.174 1.757 1.00 0.00 N ATOM 50 CA THR A 4 -8.202 -22.200 2.429 1.00 0.00 C ATOM 51 C THR A 4 -7.380 -21.067 3.007 1.00 0.00 C ATOM 52 O THR A 4 -7.153 -20.080 2.350 1.00 0.00 O ATOM 53 CB THR A 4 -9.003 -22.969 3.503 1.00 0.00 C ATOM 54 OG1 THR A 4 -8.302 -22.981 4.739 1.00 0.00 O ATOM 55 CG2 THR A 4 -9.251 -24.408 3.044 1.00 0.00 C ATOM 0 H THR A 4 -7.303 -23.125 0.738 1.00 0.00 H new ATOM 0 HA THR A 4 -8.907 -21.749 1.730 1.00 0.00 H new ATOM 0 HB THR A 4 -9.958 -22.463 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.645 -23.708 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.816 -24.941 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.817 -24.400 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.296 -24.908 2.884 1.00 0.00 H new ATOM 63 N ALA A 5 -6.878 -21.193 4.190 1.00 0.00 N ATOM 64 CA ALA A 5 -6.038 -20.092 4.714 1.00 0.00 C ATOM 65 C ALA A 5 -4.997 -19.737 3.646 1.00 0.00 C ATOM 66 O ALA A 5 -4.428 -18.667 3.648 1.00 0.00 O ATOM 67 CB ALA A 5 -5.368 -20.654 5.969 1.00 0.00 C ATOM 0 H ALA A 5 -7.007 -21.993 4.810 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.602 -19.190 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.728 -19.891 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.132 -20.949 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.766 -21.522 5.702 1.00 0.00 H new ATOM 73 N THR A 6 -4.772 -20.629 2.710 1.00 0.00 N ATOM 74 CA THR A 6 -3.785 -20.353 1.628 1.00 0.00 C ATOM 75 C THR A 6 -4.488 -19.734 0.425 1.00 0.00 C ATOM 76 O THR A 6 -4.342 -18.563 0.135 1.00 0.00 O ATOM 77 CB THR A 6 -3.205 -21.721 1.264 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.648 -22.321 2.427 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.117 -21.551 0.203 1.00 0.00 C ATOM 0 H THR A 6 -5.233 -21.537 2.652 1.00 0.00 H new ATOM 0 HA THR A 6 -3.011 -19.652 1.941 1.00 0.00 H new ATOM 0 HB THR A 6 -3.996 -22.358 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.180 -23.145 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.705 -22.527 -0.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.546 -21.091 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.324 -20.914 0.594 1.00 0.00 H new ATOM 87 N CYS A 7 -5.257 -20.519 -0.275 1.00 0.00 N ATOM 88 CA CYS A 7 -5.982 -19.987 -1.459 1.00 0.00 C ATOM 89 C CYS A 7 -6.939 -18.890 -1.010 1.00 0.00 C ATOM 90 O CYS A 7 -7.164 -17.923 -1.707 1.00 0.00 O ATOM 91 CB CYS A 7 -6.763 -21.174 -2.024 1.00 0.00 C ATOM 92 SG CYS A 7 -6.240 -21.504 -3.732 1.00 0.00 S ATOM 0 H CYS A 7 -5.414 -21.507 -0.077 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.310 -19.560 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.596 -22.057 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.832 -20.963 -1.996 1.00 0.00 H new ATOM 97 N ALA A 8 -7.503 -19.033 0.160 1.00 0.00 N ATOM 98 CA ALA A 8 -8.441 -17.990 0.649 1.00 0.00 C ATOM 99 C ALA A 8 -7.676 -16.695 0.904 1.00 0.00 C ATOM 100 O ALA A 8 -7.998 -15.665 0.348 1.00 0.00 O ATOM 101 CB ALA A 8 -9.045 -18.522 1.951 1.00 0.00 C ATOM 0 H ALA A 8 -7.355 -19.821 0.791 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.223 -17.777 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.745 -17.790 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.571 -19.456 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.250 -18.700 2.675 1.00 0.00 H new ATOM 107 N THR A 9 -6.653 -16.725 1.724 1.00 0.00 N ATOM 108 CA THR A 9 -5.893 -15.468 1.963 1.00 0.00 C ATOM 109 C THR A 9 -5.414 -14.913 0.623 1.00 0.00 C ATOM 110 O THR A 9 -5.235 -13.722 0.461 1.00 0.00 O ATOM 111 CB THR A 9 -4.710 -15.861 2.844 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.988 -16.914 2.221 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.227 -16.321 4.209 1.00 0.00 C ATOM 0 H THR A 9 -6.320 -17.548 2.226 1.00 0.00 H new ATOM 0 HA THR A 9 -6.496 -14.697 2.444 1.00 0.00 H new ATOM 0 HB THR A 9 -4.050 -15.004 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.698 -17.558 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.385 -16.603 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.780 -15.509 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.885 -17.180 4.078 1.00 0.00 H new ATOM 121 N GLN A 10 -5.215 -15.771 -0.343 1.00 0.00 N ATOM 122 CA GLN A 10 -4.760 -15.296 -1.674 1.00 0.00 C ATOM 123 C GLN A 10 -5.885 -14.518 -2.368 1.00 0.00 C ATOM 124 O GLN A 10 -5.652 -13.551 -3.072 1.00 0.00 O ATOM 125 CB GLN A 10 -4.423 -16.568 -2.453 1.00 0.00 C ATOM 126 CG GLN A 10 -3.191 -16.319 -3.325 1.00 0.00 C ATOM 127 CD GLN A 10 -1.985 -17.037 -2.717 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.104 -17.478 -3.428 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.906 -17.173 -1.421 1.00 0.00 N ATOM 0 H GLN A 10 -5.349 -16.779 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.905 -14.624 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.234 -17.391 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.269 -16.862 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.370 -16.679 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.993 -15.250 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.645 -16.803 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.105 -17.649 -1.006 1.00 0.00 H new ATOM 138 N ARG A 11 -7.110 -14.899 -2.135 1.00 0.00 N ATOM 139 CA ARG A 11 -8.239 -14.155 -2.750 1.00 0.00 C ATOM 140 C ARG A 11 -8.560 -13.035 -1.796 1.00 0.00 C ATOM 141 O ARG A 11 -8.703 -11.884 -2.161 1.00 0.00 O ATOM 142 CB ARG A 11 -9.388 -15.158 -2.842 1.00 0.00 C ATOM 143 CG ARG A 11 -10.420 -14.658 -3.853 1.00 0.00 C ATOM 144 CD ARG A 11 -10.008 -15.080 -5.266 1.00 0.00 C ATOM 145 NE ARG A 11 -9.838 -16.556 -5.198 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.741 -17.107 -5.641 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.581 -16.689 -5.213 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.802 -18.074 -6.515 1.00 0.00 N ATOM 0 H ARG A 11 -7.375 -15.690 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.034 -13.741 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.010 -16.134 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.853 -15.286 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.403 -15.064 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.501 -13.572 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.768 -14.804 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.082 -14.591 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.578 -17.137 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.531 -15.931 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.724 -17.120 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.708 -18.400 -6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.944 -18.504 -6.861 1.00 0.00 H new ATOM 162 N LEU A 12 -8.601 -13.381 -0.551 1.00 0.00 N ATOM 163 CA LEU A 12 -8.829 -12.372 0.496 1.00 0.00 C ATOM 164 C LEU A 12 -7.782 -11.272 0.348 1.00 0.00 C ATOM 165 O LEU A 12 -8.041 -10.109 0.582 1.00 0.00 O ATOM 166 CB LEU A 12 -8.625 -13.157 1.785 1.00 0.00 C ATOM 167 CG LEU A 12 -9.961 -13.705 2.284 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.694 -14.401 1.134 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.707 -14.712 3.407 1.00 0.00 C ATOM 0 H LEU A 12 -8.484 -14.336 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.806 -11.891 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.928 -13.977 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.180 -12.514 2.545 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.573 -12.884 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.647 -14.791 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.874 -13.686 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.084 -15.222 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.658 -15.105 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.095 -15.531 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.186 -14.218 4.227 1.00 0.00 H new ATOM 181 N ALA A 13 -6.598 -11.640 -0.065 1.00 0.00 N ATOM 182 CA ALA A 13 -5.523 -10.627 -0.259 1.00 0.00 C ATOM 183 C ALA A 13 -5.869 -9.749 -1.463 1.00 0.00 C ATOM 184 O ALA A 13 -5.529 -8.585 -1.524 1.00 0.00 O ATOM 185 CB ALA A 13 -4.256 -11.436 -0.536 1.00 0.00 C ATOM 0 H ALA A 13 -6.330 -12.601 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.401 -9.973 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.417 -10.757 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.046 -12.085 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.400 -12.043 -1.430 1.00 0.00 H new ATOM 191 N ASN A 14 -6.556 -10.307 -2.420 1.00 0.00 N ATOM 192 CA ASN A 14 -6.943 -9.519 -3.624 1.00 0.00 C ATOM 193 C ASN A 14 -7.764 -8.309 -3.191 1.00 0.00 C ATOM 194 O ASN A 14 -7.591 -7.215 -3.693 1.00 0.00 O ATOM 195 CB ASN A 14 -7.795 -10.464 -4.469 1.00 0.00 C ATOM 196 CG ASN A 14 -7.704 -10.050 -5.939 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.684 -9.636 -6.526 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.562 -10.144 -6.563 1.00 0.00 N ATOM 0 H ASN A 14 -6.867 -11.278 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.080 -9.154 -4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.450 -11.491 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.832 -10.434 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.492 -9.870 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.739 -10.491 -6.071 1.00 0.00 H new ATOM 205 N PHE A 15 -8.644 -8.492 -2.249 1.00 0.00 N ATOM 206 CA PHE A 15 -9.459 -7.346 -1.773 1.00 0.00 C ATOM 207 C PHE A 15 -8.651 -6.580 -0.733 1.00 0.00 C ATOM 208 O PHE A 15 -8.948 -5.450 -0.406 1.00 0.00 O ATOM 209 CB PHE A 15 -10.723 -7.940 -1.135 1.00 0.00 C ATOM 210 CG PHE A 15 -11.081 -9.248 -1.796 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.345 -9.288 -3.168 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.145 -10.419 -1.035 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.673 -10.503 -3.781 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.473 -11.632 -1.644 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.738 -11.675 -3.019 1.00 0.00 C ATOM 0 H PHE A 15 -8.833 -9.383 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.725 -6.664 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.561 -8.097 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.551 -7.238 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.296 -8.382 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.941 -10.385 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.876 -10.536 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.522 -12.536 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.992 -12.613 -3.491 1.00 0.00 H new ATOM 225 N LEU A 16 -7.614 -7.187 -0.215 1.00 0.00 N ATOM 226 CA LEU A 16 -6.782 -6.478 0.797 1.00 0.00 C ATOM 227 C LEU A 16 -6.040 -5.324 0.126 1.00 0.00 C ATOM 228 O LEU A 16 -6.058 -4.205 0.593 1.00 0.00 O ATOM 229 CB LEU A 16 -5.782 -7.518 1.310 1.00 0.00 C ATOM 230 CG LEU A 16 -6.353 -8.272 2.515 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.223 -9.036 3.206 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.969 -7.284 3.511 1.00 0.00 C ATOM 0 H LEU A 16 -7.311 -8.133 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.382 -6.065 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.543 -8.223 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.851 -7.026 1.591 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.123 -8.964 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.621 -9.576 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.781 -9.744 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.460 -8.333 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.372 -7.831 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.203 -6.589 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.771 -6.729 3.024 1.00 0.00 H new ATOM 244 N VAL A 17 -5.389 -5.593 -0.971 1.00 0.00 N ATOM 245 CA VAL A 17 -4.641 -4.515 -1.678 1.00 0.00 C ATOM 246 C VAL A 17 -5.609 -3.606 -2.444 1.00 0.00 C ATOM 247 O VAL A 17 -5.322 -2.453 -2.702 1.00 0.00 O ATOM 248 CB VAL A 17 -3.718 -5.253 -2.646 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.206 -4.282 -3.710 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.532 -5.833 -1.872 1.00 0.00 C ATOM 0 H VAL A 17 -5.342 -6.513 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.089 -3.875 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.269 -6.059 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.548 -4.811 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.050 -3.868 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.654 -3.474 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.871 -6.360 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.983 -5.025 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.896 -6.527 -1.115 1.00 0.00 H new ATOM 260 N HIS A 18 -6.752 -4.117 -2.812 1.00 0.00 N ATOM 261 CA HIS A 18 -7.737 -3.289 -3.563 1.00 0.00 C ATOM 262 C HIS A 18 -8.670 -2.557 -2.600 1.00 0.00 C ATOM 263 O HIS A 18 -8.773 -1.349 -2.615 1.00 0.00 O ATOM 264 CB HIS A 18 -8.531 -4.292 -4.404 1.00 0.00 C ATOM 265 CG HIS A 18 -7.838 -4.488 -5.718 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.515 -4.901 -6.873 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.526 -4.326 -6.085 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.609 -4.972 -7.870 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.407 -4.631 -7.426 1.00 0.00 N ATOM 0 H HIS A 18 -7.047 -5.075 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.250 -2.528 -4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.613 -5.243 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.546 -3.928 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.722 -4.013 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.831 -5.265 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.549 -4.600 -7.976 1.00 0.00 H new ATOM 277 N SER A 19 -9.360 -3.286 -1.773 1.00 0.00 N ATOM 278 CA SER A 19 -10.310 -2.637 -0.817 1.00 0.00 C ATOM 279 C SER A 19 -9.618 -1.567 0.038 1.00 0.00 C ATOM 280 O SER A 19 -10.220 -0.579 0.409 1.00 0.00 O ATOM 281 CB SER A 19 -10.820 -3.770 0.070 1.00 0.00 C ATOM 282 OG SER A 19 -12.044 -3.377 0.675 1.00 0.00 O ATOM 0 H SER A 19 -9.311 -4.303 -1.713 1.00 0.00 H new ATOM 0 HA SER A 19 -11.112 -2.126 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.967 -4.673 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.082 -4.008 0.836 1.00 0.00 H new ATOM 0 HG SER A 19 -12.375 -4.103 1.244 1.00 0.00 H new ATOM 288 N SER A 20 -8.372 -1.753 0.372 1.00 0.00 N ATOM 289 CA SER A 20 -7.676 -0.741 1.223 1.00 0.00 C ATOM 290 C SER A 20 -6.981 0.327 0.372 1.00 0.00 C ATOM 291 O SER A 20 -6.902 1.478 0.754 1.00 0.00 O ATOM 292 CB SER A 20 -6.649 -1.534 2.035 1.00 0.00 C ATOM 293 OG SER A 20 -5.357 -0.969 1.852 1.00 0.00 O ATOM 0 H SER A 20 -7.806 -2.556 0.096 1.00 0.00 H new ATOM 0 HA SER A 20 -8.382 -0.207 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.917 -1.520 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.649 -2.577 1.720 1.00 0.00 H new ATOM 0 HG SER A 20 -4.701 -1.477 2.374 1.00 0.00 H new ATOM 299 N ASN A 21 -6.460 -0.038 -0.763 1.00 0.00 N ATOM 300 CA ASN A 21 -5.757 0.971 -1.609 1.00 0.00 C ATOM 301 C ASN A 21 -6.754 1.839 -2.381 1.00 0.00 C ATOM 302 O ASN A 21 -6.627 3.047 -2.438 1.00 0.00 O ATOM 303 CB ASN A 21 -4.901 0.157 -2.577 1.00 0.00 C ATOM 304 CG ASN A 21 -4.032 1.112 -3.397 1.00 0.00 C ATOM 305 OD1 ASN A 21 -3.686 2.182 -2.937 1.00 0.00 O ATOM 306 ND2 ASN A 21 -3.662 0.770 -4.601 1.00 0.00 N ATOM 0 H ASN A 21 -6.488 -0.984 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.161 1.653 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.274 -0.544 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.537 -0.434 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.083 1.401 -5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.952 -0.128 -4.988 1.00 0.00 H new ATOM 313 N ASN A 22 -7.732 1.235 -2.988 1.00 0.00 N ATOM 314 CA ASN A 22 -8.723 2.029 -3.773 1.00 0.00 C ATOM 315 C ASN A 22 -9.150 3.286 -3.008 1.00 0.00 C ATOM 316 O ASN A 22 -9.578 4.260 -3.593 1.00 0.00 O ATOM 317 CB ASN A 22 -9.924 1.102 -3.968 1.00 0.00 C ATOM 318 CG ASN A 22 -9.947 0.589 -5.408 1.00 0.00 C ATOM 319 OD1 ASN A 22 -9.426 -0.469 -5.697 1.00 0.00 O ATOM 320 ND2 ASN A 22 -10.533 1.303 -6.330 1.00 0.00 N ATOM 0 H ASN A 22 -7.892 0.228 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.301 2.364 -4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.866 0.264 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.848 1.636 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.554 0.972 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.970 2.192 -6.086 1.00 0.00 H new ATOM 327 N PHE A 23 -9.045 3.273 -1.707 1.00 0.00 N ATOM 328 CA PHE A 23 -9.463 4.466 -0.917 1.00 0.00 C ATOM 329 C PHE A 23 -8.552 5.651 -1.208 1.00 0.00 C ATOM 330 O PHE A 23 -9.005 6.721 -1.566 1.00 0.00 O ATOM 331 CB PHE A 23 -9.349 4.037 0.541 1.00 0.00 C ATOM 332 CG PHE A 23 -10.723 3.684 1.041 1.00 0.00 C ATOM 333 CD1 PHE A 23 -11.633 4.700 1.348 1.00 0.00 C ATOM 334 CD2 PHE A 23 -11.094 2.343 1.182 1.00 0.00 C ATOM 335 CE1 PHE A 23 -12.916 4.377 1.799 1.00 0.00 C ATOM 336 CE2 PHE A 23 -12.379 2.018 1.630 1.00 0.00 C ATOM 337 CZ PHE A 23 -13.290 3.035 1.940 1.00 0.00 C ATOM 0 H PHE A 23 -8.689 2.490 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.474 4.788 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.680 3.181 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.922 4.841 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.345 5.735 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.390 1.559 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.618 5.162 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.668 0.983 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.281 2.784 2.288 1.00 0.00 H new ATOM 347 N GLY A 24 -7.274 5.475 -1.069 1.00 0.00 N ATOM 348 CA GLY A 24 -6.348 6.605 -1.353 1.00 0.00 C ATOM 349 C GLY A 24 -6.546 7.034 -2.806 1.00 0.00 C ATOM 350 O GLY A 24 -6.185 8.123 -3.203 1.00 0.00 O ATOM 0 H GLY A 24 -6.829 4.606 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.549 7.439 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.315 6.301 -1.184 1.00 0.00 H new ATOM 354 N ALA A 25 -7.116 6.174 -3.604 1.00 0.00 N ATOM 355 CA ALA A 25 -7.333 6.510 -5.037 1.00 0.00 C ATOM 356 C ALA A 25 -8.551 7.423 -5.220 1.00 0.00 C ATOM 357 O ALA A 25 -8.643 8.151 -6.188 1.00 0.00 O ATOM 358 CB ALA A 25 -7.569 5.164 -5.716 1.00 0.00 C ATOM 0 H ALA A 25 -7.442 5.249 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.485 7.051 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.739 5.319 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.695 4.528 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.442 4.682 -5.276 1.00 0.00 H new ATOM 364 N ILE A 26 -9.486 7.399 -4.308 1.00 0.00 N ATOM 365 CA ILE A 26 -10.682 8.281 -4.463 1.00 0.00 C ATOM 366 C ILE A 26 -10.374 9.585 -3.768 1.00 0.00 C ATOM 367 O ILE A 26 -10.448 10.652 -4.344 1.00 0.00 O ATOM 368 CB ILE A 26 -11.840 7.540 -3.789 1.00 0.00 C ATOM 369 CG1 ILE A 26 -11.723 6.029 -4.041 1.00 0.00 C ATOM 370 CG2 ILE A 26 -13.168 8.043 -4.359 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.109 5.759 -5.425 1.00 0.00 C ATOM 0 H ILE A 26 -9.476 6.815 -3.472 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.938 8.498 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.801 7.728 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.106 5.572 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.708 5.566 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.993 7.516 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.263 9.112 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.196 7.860 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.034 4.684 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.742 6.198 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.115 6.204 -5.475 1.00 0.00 H new ATOM 383 N LEU A 27 -9.946 9.494 -2.549 1.00 0.00 N ATOM 384 CA LEU A 27 -9.539 10.713 -1.825 1.00 0.00 C ATOM 385 C LEU A 27 -8.579 11.474 -2.745 1.00 0.00 C ATOM 386 O LEU A 27 -8.424 12.677 -2.671 1.00 0.00 O ATOM 387 CB LEU A 27 -8.810 10.164 -0.602 1.00 0.00 C ATOM 388 CG LEU A 27 -9.801 9.943 0.545 1.00 0.00 C ATOM 389 CD1 LEU A 27 -10.649 11.201 0.751 1.00 0.00 C ATOM 390 CD2 LEU A 27 -10.714 8.766 0.201 1.00 0.00 C ATOM 0 H LEU A 27 -9.861 8.624 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.348 11.386 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.317 9.225 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.030 10.859 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.251 9.729 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.351 11.037 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.999 12.042 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.201 11.422 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.421 8.604 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.260 8.985 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.112 7.868 0.060 1.00 0.00 H new ATOM 402 N SER A 28 -7.939 10.738 -3.623 1.00 0.00 N ATOM 403 CA SER A 28 -6.975 11.324 -4.591 1.00 0.00 C ATOM 404 C SER A 28 -7.704 11.998 -5.764 1.00 0.00 C ATOM 405 O SER A 28 -7.082 12.481 -6.690 1.00 0.00 O ATOM 406 CB SER A 28 -6.205 10.104 -5.097 1.00 0.00 C ATOM 407 OG SER A 28 -5.086 9.870 -4.250 1.00 0.00 O ATOM 0 H SER A 28 -8.053 9.728 -3.706 1.00 0.00 H new ATOM 0 HA SER A 28 -6.345 12.091 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.855 9.229 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.872 10.269 -6.122 1.00 0.00 H new ATOM 0 HG SER A 28 -5.154 8.974 -3.859 1.00 0.00 H new ATOM 413 N SER A 29 -9.009 12.023 -5.746 1.00 0.00 N ATOM 414 CA SER A 29 -9.754 12.655 -6.878 1.00 0.00 C ATOM 415 C SER A 29 -10.844 13.595 -6.357 1.00 0.00 C ATOM 416 O SER A 29 -11.948 13.628 -6.866 1.00 0.00 O ATOM 417 CB SER A 29 -10.375 11.484 -7.637 1.00 0.00 C ATOM 418 OG SER A 29 -10.615 11.868 -8.985 1.00 0.00 O ATOM 0 H SER A 29 -9.591 11.636 -5.003 1.00 0.00 H new ATOM 0 HA SER A 29 -9.102 13.259 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.708 10.622 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.308 11.182 -7.162 1.00 0.00 H new ATOM 0 HG SER A 29 -11.012 11.117 -9.473 1.00 0.00 H new ATOM 424 N THR A 30 -10.539 14.366 -5.354 1.00 0.00 N ATOM 425 CA THR A 30 -11.550 15.319 -4.801 1.00 0.00 C ATOM 426 C THR A 30 -11.003 16.736 -4.898 1.00 0.00 C ATOM 427 O THR A 30 -11.405 17.517 -5.736 1.00 0.00 O ATOM 428 CB THR A 30 -11.764 14.932 -3.328 1.00 0.00 C ATOM 429 OG1 THR A 30 -11.741 16.104 -2.526 1.00 0.00 O ATOM 430 CG2 THR A 30 -10.674 13.968 -2.843 1.00 0.00 C ATOM 0 H THR A 30 -9.631 14.381 -4.889 1.00 0.00 H new ATOM 0 HA THR A 30 -12.490 15.275 -5.351 1.00 0.00 H new ATOM 0 HB THR A 30 -12.729 14.432 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.879 15.860 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.852 13.713 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.696 13.061 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.698 14.444 -2.939 1.00 0.00 H new ATOM 438 N ASN A 31 -10.070 17.061 -4.055 1.00 0.00 N ATOM 439 CA ASN A 31 -9.468 18.419 -4.101 1.00 0.00 C ATOM 440 C ASN A 31 -8.544 18.520 -5.324 1.00 0.00 C ATOM 441 O ASN A 31 -7.975 19.556 -5.604 1.00 0.00 O ATOM 442 CB ASN A 31 -8.688 18.557 -2.777 1.00 0.00 C ATOM 443 CG ASN A 31 -7.182 18.378 -3.014 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.585 17.430 -2.543 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.543 19.263 -3.732 1.00 0.00 N ATOM 0 H ASN A 31 -9.696 16.444 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.205 19.216 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.878 19.536 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.040 17.813 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.542 19.159 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.045 20.058 -4.127 1.00 0.00 H new ATOM 452 N VAL A 32 -8.402 17.448 -6.062 1.00 0.00 N ATOM 453 CA VAL A 32 -7.521 17.474 -7.268 1.00 0.00 C ATOM 454 C VAL A 32 -7.782 18.740 -8.081 1.00 0.00 C ATOM 455 O VAL A 32 -6.970 19.159 -8.881 1.00 0.00 O ATOM 456 CB VAL A 32 -7.910 16.234 -8.072 1.00 0.00 C ATOM 457 CG1 VAL A 32 -9.302 16.433 -8.674 1.00 0.00 C ATOM 458 CG2 VAL A 32 -6.895 16.016 -9.196 1.00 0.00 C ATOM 0 H VAL A 32 -8.859 16.554 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.463 17.474 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.919 15.363 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.580 15.549 -9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.026 16.589 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.294 17.303 -9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.172 15.132 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.886 16.886 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.903 15.875 -8.768 1.00 0.00 H new ATOM 468 N GLY A 33 -8.914 19.347 -7.884 1.00 0.00 N ATOM 469 CA GLY A 33 -9.241 20.583 -8.643 1.00 0.00 C ATOM 470 C GLY A 33 -9.356 21.769 -7.683 1.00 0.00 C ATOM 471 O GLY A 33 -9.207 22.910 -8.074 1.00 0.00 O ATOM 0 H GLY A 33 -9.631 19.040 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.468 20.779 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.177 20.450 -9.185 1.00 0.00 H new ATOM 475 N SER A 34 -9.620 21.511 -6.430 1.00 0.00 N ATOM 476 CA SER A 34 -9.746 22.628 -5.448 1.00 0.00 C ATOM 477 C SER A 34 -10.985 23.463 -5.767 1.00 0.00 C ATOM 478 O SER A 34 -11.899 23.572 -4.973 1.00 0.00 O ATOM 479 CB SER A 34 -8.475 23.461 -5.626 1.00 0.00 C ATOM 480 OG SER A 34 -7.384 22.594 -5.905 1.00 0.00 O ATOM 0 H SER A 34 -9.754 20.576 -6.044 1.00 0.00 H new ATOM 0 HA SER A 34 -9.854 22.271 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.605 24.175 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.275 24.038 -4.723 1.00 0.00 H new ATOM 0 HG SER A 34 -6.567 23.123 -6.021 1.00 0.00 H new ATOM 486 N ASN A 35 -11.021 24.046 -6.928 1.00 0.00 N ATOM 487 CA ASN A 35 -12.196 24.873 -7.319 1.00 0.00 C ATOM 488 C ASN A 35 -13.423 23.977 -7.502 1.00 0.00 C ATOM 489 O ASN A 35 -13.403 22.808 -7.176 1.00 0.00 O ATOM 490 CB ASN A 35 -11.801 25.516 -8.648 1.00 0.00 C ATOM 491 CG ASN A 35 -12.207 26.991 -8.645 1.00 0.00 C ATOM 492 OD1 ASN A 35 -12.825 27.460 -7.709 1.00 0.00 O ATOM 493 ND2 ASN A 35 -11.882 27.749 -9.658 1.00 0.00 N ATOM 0 H ASN A 35 -10.283 23.986 -7.629 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.451 25.619 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.726 25.425 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.287 24.996 -9.474 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.147 28.734 -9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.363 27.356 -10.443 1.00 0.00 H new ATOM 500 N THR A 36 -14.490 24.515 -8.024 1.00 0.00 N ATOM 501 CA THR A 36 -15.710 23.685 -8.227 1.00 0.00 C ATOM 502 C THR A 36 -15.418 22.557 -9.221 1.00 0.00 C ATOM 503 O THR A 36 -15.369 22.769 -10.417 1.00 0.00 O ATOM 504 CB THR A 36 -16.752 24.645 -8.796 1.00 0.00 C ATOM 505 OG1 THR A 36 -16.932 25.731 -7.897 1.00 0.00 O ATOM 506 CG2 THR A 36 -18.080 23.908 -8.978 1.00 0.00 C ATOM 0 H THR A 36 -14.570 25.489 -8.318 1.00 0.00 H new ATOM 0 HA THR A 36 -16.051 23.216 -7.304 1.00 0.00 H new ATOM 0 HB THR A 36 -16.412 25.022 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.599 26.350 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 36 -18.824 24.593 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.942 23.074 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.422 23.531 -8.014 1.00 0.00 H new ATOM 514 N TYR A 37 -15.219 21.362 -8.735 1.00 0.00 N ATOM 515 CA TYR A 37 -14.928 20.224 -9.652 1.00 0.00 C ATOM 516 C TYR A 37 -16.147 19.925 -10.532 1.00 0.00 C ATOM 517 O TYR A 37 -16.925 20.835 -10.763 1.00 0.00 O ATOM 518 CB TYR A 37 -14.603 19.041 -8.729 1.00 0.00 C ATOM 519 CG TYR A 37 -15.875 18.364 -8.267 1.00 0.00 C ATOM 520 CD1 TYR A 37 -16.782 19.048 -7.449 1.00 0.00 C ATOM 521 CD2 TYR A 37 -16.141 17.047 -8.657 1.00 0.00 C ATOM 522 CE1 TYR A 37 -17.957 18.414 -7.023 1.00 0.00 C ATOM 523 CE2 TYR A 37 -17.315 16.413 -8.233 1.00 0.00 C ATOM 524 CZ TYR A 37 -18.221 17.096 -7.415 1.00 0.00 C ATOM 525 OH TYR A 37 -19.377 16.471 -6.994 1.00 0.00 O ATOM 526 OXT TYR A 37 -16.279 18.790 -10.963 1.00 0.00 O ATOM 0 H TYR A 37 -15.245 21.125 -7.743 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.104 20.438 -10.332 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.973 18.324 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.036 19.390 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.576 20.064 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.440 16.519 -9.286 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.658 18.941 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.521 15.397 -8.537 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.407 15.561 -7.356 1.00 0.00 H new TER 536 TYR A 37