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 14 ASN : amide:sc= -2.38 K(o=-5.5,f=-4.5) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -3.11 K(o=-5.5,f=-2.2) USER MOD Single : A 1 LYS N :NH3+ 145:sc= 0.0366 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.066) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 125:sc= 0.831 USER MOD Single : A 10 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.74) USER MOD Single : A 19 SER OG : rot -88:sc=0.000725 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.068) USER MOD Single : A 22 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.072) USER MOD Single : A 28 SER OG : rot 76:sc= 1.26 USER MOD Single : A 29 SER OG : rot -41:sc= -0.415! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 31 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.59) USER MOD Single : A 34 SER OG : rot -140:sc= -0.362 USER MOD Single : A 35 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.22) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.29! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.431 -21.502 -8.897 1.00 0.00 N ATOM 2 CA LYS A 1 -5.021 -22.125 -7.677 1.00 0.00 C ATOM 3 C LYS A 1 -3.914 -22.653 -6.762 1.00 0.00 C ATOM 4 O LYS A 1 -2.799 -22.885 -7.188 1.00 0.00 O ATOM 5 CB LYS A 1 -5.887 -23.271 -8.196 1.00 0.00 C ATOM 6 CG LYS A 1 -7.338 -22.798 -8.304 1.00 0.00 C ATOM 7 CD LYS A 1 -8.173 -23.866 -9.012 1.00 0.00 C ATOM 8 CE LYS A 1 -7.819 -23.885 -10.500 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.974 -23.233 -11.178 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.050 -21.682 -9.713 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.338 -20.476 -8.753 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.493 -21.913 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.601 -21.413 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.527 -23.602 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.820 -24.126 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.743 -22.604 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.385 -21.859 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.983 -24.844 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.235 -23.658 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.892 -23.345 -10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.674 -24.904 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.805 -23.208 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.841 -23.773 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.083 -22.262 -10.822 1.00 0.00 H new ATOM 25 N CYS A 2 -4.210 -22.836 -5.505 1.00 0.00 N ATOM 26 CA CYS A 2 -3.173 -23.338 -4.561 1.00 0.00 C ATOM 27 C CYS A 2 -3.754 -24.465 -3.689 1.00 0.00 C ATOM 28 O CYS A 2 -3.959 -25.568 -4.154 1.00 0.00 O ATOM 29 CB CYS A 2 -2.786 -22.117 -3.719 1.00 0.00 C ATOM 30 SG CYS A 2 -2.527 -20.680 -4.792 1.00 0.00 S ATOM 0 H CYS A 2 -5.125 -22.660 -5.091 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.307 -23.761 -5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.570 -21.902 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.878 -22.328 -3.154 1.00 0.00 H new ATOM 35 N ASN A 3 -4.025 -24.206 -2.434 1.00 0.00 N ATOM 36 CA ASN A 3 -4.592 -25.268 -1.561 1.00 0.00 C ATOM 37 C ASN A 3 -5.701 -24.679 -0.685 1.00 0.00 C ATOM 38 O ASN A 3 -5.993 -25.184 0.380 1.00 0.00 O ATOM 39 CB ASN A 3 -3.418 -25.746 -0.705 1.00 0.00 C ATOM 40 CG ASN A 3 -3.754 -27.105 -0.085 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.911 -27.216 1.115 1.00 0.00 O ATOM 42 ND2 ASN A 3 -3.873 -28.149 -0.857 1.00 0.00 N ATOM 0 H ASN A 3 -3.877 -23.304 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.034 -26.087 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.519 -25.826 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.207 -25.019 0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.098 -29.059 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.741 -28.056 -1.864 1.00 0.00 H new ATOM 49 N THR A 4 -6.317 -23.611 -1.133 1.00 0.00 N ATOM 50 CA THR A 4 -7.411 -22.965 -0.356 1.00 0.00 C ATOM 51 C THR A 4 -6.840 -22.093 0.742 1.00 0.00 C ATOM 52 O THR A 4 -6.608 -20.926 0.532 1.00 0.00 O ATOM 53 CB THR A 4 -8.293 -24.097 0.189 1.00 0.00 C ATOM 54 OG1 THR A 4 -8.453 -25.089 -0.814 1.00 0.00 O ATOM 55 CG2 THR A 4 -9.662 -23.536 0.574 1.00 0.00 C ATOM 0 H THR A 4 -6.101 -23.156 -2.020 1.00 0.00 H new ATOM 0 HA THR A 4 -8.010 -22.301 -0.979 1.00 0.00 H new ATOM 0 HB THR A 4 -7.822 -24.537 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.014 -25.815 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.289 -24.339 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.539 -22.770 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.136 -23.098 -0.304 1.00 0.00 H new ATOM 63 N ALA A 5 -6.570 -22.616 1.893 1.00 0.00 N ATOM 64 CA ALA A 5 -5.980 -21.742 2.937 1.00 0.00 C ATOM 65 C ALA A 5 -4.840 -20.932 2.310 1.00 0.00 C ATOM 66 O ALA A 5 -4.459 -19.886 2.798 1.00 0.00 O ATOM 67 CB ALA A 5 -5.443 -22.696 4.004 1.00 0.00 C ATOM 0 H ALA A 5 -6.726 -23.589 2.158 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.696 -21.039 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.990 -22.121 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.262 -23.296 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.694 -23.352 3.561 1.00 0.00 H new ATOM 73 N THR A 6 -4.312 -21.405 1.204 1.00 0.00 N ATOM 74 CA THR A 6 -3.204 -20.669 0.527 1.00 0.00 C ATOM 75 C THR A 6 -3.757 -19.717 -0.529 1.00 0.00 C ATOM 76 O THR A 6 -3.650 -18.512 -0.416 1.00 0.00 O ATOM 77 CB THR A 6 -2.345 -21.753 -0.127 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.909 -22.672 0.863 1.00 0.00 O ATOM 79 CG2 THR A 6 -1.132 -21.106 -0.798 1.00 0.00 C ATOM 0 H THR A 6 -4.603 -22.268 0.744 1.00 0.00 H new ATOM 0 HA THR A 6 -2.632 -20.061 1.228 1.00 0.00 H new ATOM 0 HB THR A 6 -2.933 -22.282 -0.877 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.360 -23.368 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.519 -21.878 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.469 -20.402 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.542 -20.577 -0.050 1.00 0.00 H new ATOM 87 N CYS A 7 -4.352 -20.251 -1.560 1.00 0.00 N ATOM 88 CA CYS A 7 -4.914 -19.376 -2.623 1.00 0.00 C ATOM 89 C CYS A 7 -6.091 -18.598 -2.052 1.00 0.00 C ATOM 90 O CYS A 7 -6.338 -17.466 -2.416 1.00 0.00 O ATOM 91 CB CYS A 7 -5.374 -20.320 -3.736 1.00 0.00 C ATOM 92 SG CYS A 7 -4.391 -20.022 -5.233 1.00 0.00 S ATOM 0 H CYS A 7 -4.472 -21.253 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.190 -18.654 -3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.263 -21.356 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.432 -20.162 -3.946 1.00 0.00 H new ATOM 97 N ALA A 8 -6.811 -19.191 -1.141 1.00 0.00 N ATOM 98 CA ALA A 8 -7.959 -18.476 -0.532 1.00 0.00 C ATOM 99 C ALA A 8 -7.434 -17.294 0.283 1.00 0.00 C ATOM 100 O ALA A 8 -7.814 -16.162 0.060 1.00 0.00 O ATOM 101 CB ALA A 8 -8.665 -19.491 0.369 1.00 0.00 C ATOM 0 H ALA A 8 -6.652 -20.137 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.649 -18.085 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.523 -19.018 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.003 -20.336 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.972 -19.843 1.134 1.00 0.00 H new ATOM 107 N THR A 9 -6.539 -17.535 1.213 1.00 0.00 N ATOM 108 CA THR A 9 -5.991 -16.395 1.997 1.00 0.00 C ATOM 109 C THR A 9 -5.357 -15.397 1.028 1.00 0.00 C ATOM 110 O THR A 9 -5.308 -14.209 1.280 1.00 0.00 O ATOM 111 CB THR A 9 -4.932 -17.006 2.915 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.529 -18.022 3.711 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.353 -15.920 3.822 1.00 0.00 C ATOM 0 H THR A 9 -6.173 -18.456 1.456 1.00 0.00 H new ATOM 0 HA THR A 9 -6.751 -15.868 2.573 1.00 0.00 H new ATOM 0 HB THR A 9 -4.132 -17.437 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.036 -18.861 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.598 -16.356 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.897 -15.141 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.150 -15.487 4.426 1.00 0.00 H new ATOM 121 N GLN A 10 -4.877 -15.880 -0.089 1.00 0.00 N ATOM 122 CA GLN A 10 -4.253 -14.984 -1.090 1.00 0.00 C ATOM 123 C GLN A 10 -5.317 -14.448 -2.055 1.00 0.00 C ATOM 124 O GLN A 10 -5.083 -13.516 -2.800 1.00 0.00 O ATOM 125 CB GLN A 10 -3.244 -15.859 -1.835 1.00 0.00 C ATOM 126 CG GLN A 10 -2.127 -16.283 -0.878 1.00 0.00 C ATOM 127 CD GLN A 10 -1.308 -15.056 -0.473 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.237 -14.826 -0.998 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.767 -14.254 0.449 1.00 0.00 N ATOM 0 H GLN A 10 -4.894 -16.867 -0.347 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.777 -14.119 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.742 -16.739 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.825 -15.311 -2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.552 -16.758 0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.484 -17.021 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.666 -14.446 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.226 -13.435 0.728 1.00 0.00 H new ATOM 138 N ARG A 11 -6.500 -14.999 -2.017 1.00 0.00 N ATOM 139 CA ARG A 11 -7.580 -14.490 -2.905 1.00 0.00 C ATOM 140 C ARG A 11 -8.280 -13.410 -2.121 1.00 0.00 C ATOM 141 O ARG A 11 -8.468 -12.294 -2.563 1.00 0.00 O ATOM 142 CB ARG A 11 -8.502 -15.685 -3.155 1.00 0.00 C ATOM 143 CG ARG A 11 -9.488 -15.348 -4.273 1.00 0.00 C ATOM 144 CD ARG A 11 -10.797 -16.109 -4.048 1.00 0.00 C ATOM 145 NE ARG A 11 -11.377 -15.524 -2.808 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.572 -15.875 -2.419 1.00 0.00 C ATOM 147 NH1 ARG A 11 -13.157 -16.908 -2.961 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.183 -15.193 -1.488 1.00 0.00 N ATOM 0 H ARG A 11 -6.763 -15.776 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.239 -14.084 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.913 -16.561 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.043 -15.936 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.678 -14.275 -4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.062 -15.614 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.473 -15.989 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.617 -17.178 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.841 -14.849 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.680 -17.441 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.091 -17.183 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.726 -14.385 -1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.117 -15.468 -1.184 1.00 0.00 H new ATOM 162 N LEU A 12 -8.596 -13.740 -0.914 1.00 0.00 N ATOM 163 CA LEU A 12 -9.211 -12.760 -0.007 1.00 0.00 C ATOM 164 C LEU A 12 -8.225 -11.613 0.184 1.00 0.00 C ATOM 165 O LEU A 12 -8.573 -10.449 0.119 1.00 0.00 O ATOM 166 CB LEU A 12 -9.407 -13.552 1.277 1.00 0.00 C ATOM 167 CG LEU A 12 -10.807 -14.167 1.296 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.987 -14.992 2.571 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.853 -13.051 1.261 1.00 0.00 C ATOM 0 H LEU A 12 -8.451 -14.666 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.147 -12.325 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.654 -14.337 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.274 -12.901 2.141 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.931 -14.812 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.985 -15.430 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.242 -15.787 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.862 -14.348 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.852 -13.488 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.727 -12.407 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.727 -12.462 0.352 1.00 0.00 H new ATOM 181 N ALA A 13 -6.981 -11.943 0.381 1.00 0.00 N ATOM 182 CA ALA A 13 -5.949 -10.888 0.537 1.00 0.00 C ATOM 183 C ALA A 13 -5.842 -10.128 -0.782 1.00 0.00 C ATOM 184 O ALA A 13 -5.414 -8.992 -0.834 1.00 0.00 O ATOM 185 CB ALA A 13 -4.650 -11.636 0.837 1.00 0.00 C ATOM 0 H ALA A 13 -6.635 -12.901 0.441 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.178 -10.172 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.839 -10.919 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.768 -12.218 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.416 -12.305 0.009 1.00 0.00 H new ATOM 191 N ASN A 14 -6.254 -10.758 -1.850 1.00 0.00 N ATOM 192 CA ASN A 14 -6.209 -10.096 -3.178 1.00 0.00 C ATOM 193 C ASN A 14 -7.035 -8.817 -3.111 1.00 0.00 C ATOM 194 O ASN A 14 -6.581 -7.750 -3.475 1.00 0.00 O ATOM 195 CB ASN A 14 -6.836 -11.102 -4.143 1.00 0.00 C ATOM 196 CG ASN A 14 -6.207 -10.946 -5.528 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.011 -10.770 -5.647 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.966 -11.006 -6.586 1.00 0.00 N ATOM 0 H ASN A 14 -6.622 -11.709 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.201 -9.824 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.684 -12.117 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.913 -10.942 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.556 -10.905 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.970 -11.154 -6.486 1.00 0.00 H new ATOM 205 N PHE A 15 -8.238 -8.906 -2.608 1.00 0.00 N ATOM 206 CA PHE A 15 -9.066 -7.681 -2.482 1.00 0.00 C ATOM 207 C PHE A 15 -8.365 -6.749 -1.503 1.00 0.00 C ATOM 208 O PHE A 15 -8.530 -5.546 -1.534 1.00 0.00 O ATOM 209 CB PHE A 15 -10.415 -8.132 -1.913 1.00 0.00 C ATOM 210 CG PHE A 15 -10.850 -9.424 -2.562 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.431 -9.738 -3.861 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.674 -10.310 -1.859 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.836 -10.939 -4.455 1.00 0.00 C ATOM 214 CE2 PHE A 15 -12.080 -11.510 -2.452 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.661 -11.826 -3.750 1.00 0.00 C ATOM 0 H PHE A 15 -8.676 -9.768 -2.283 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.207 -7.163 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.336 -8.267 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.166 -7.360 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.796 -9.054 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.997 -10.067 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.513 -11.182 -5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.717 -12.193 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.973 -12.753 -4.208 1.00 0.00 H new ATOM 225 N LEU A 16 -7.563 -7.308 -0.633 1.00 0.00 N ATOM 226 CA LEU A 16 -6.832 -6.459 0.347 1.00 0.00 C ATOM 227 C LEU A 16 -5.884 -5.524 -0.400 1.00 0.00 C ATOM 228 O LEU A 16 -5.873 -4.333 -0.178 1.00 0.00 O ATOM 229 CB LEU A 16 -6.045 -7.431 1.222 1.00 0.00 C ATOM 230 CG LEU A 16 -6.106 -6.964 2.677 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.466 -5.578 2.792 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.567 -6.886 3.123 1.00 0.00 C ATOM 0 H LEU A 16 -7.385 -8.310 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.503 -5.841 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.459 -8.435 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.009 -7.482 0.888 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.567 -7.669 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.508 -5.243 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.426 -5.629 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.007 -4.874 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.614 -6.553 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.103 -6.179 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.027 -7.871 3.037 1.00 0.00 H new ATOM 244 N VAL A 17 -5.096 -6.057 -1.292 1.00 0.00 N ATOM 245 CA VAL A 17 -4.154 -5.198 -2.065 1.00 0.00 C ATOM 246 C VAL A 17 -4.891 -4.530 -3.227 1.00 0.00 C ATOM 247 O VAL A 17 -4.568 -3.431 -3.635 1.00 0.00 O ATOM 248 CB VAL A 17 -3.089 -6.159 -2.594 1.00 0.00 C ATOM 249 CG1 VAL A 17 -1.904 -5.359 -3.137 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.616 -7.069 -1.460 1.00 0.00 C ATOM 0 H VAL A 17 -5.063 -7.051 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.722 -4.403 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.512 -6.767 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.145 -6.044 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.242 -4.711 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.479 -4.751 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.857 -7.755 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.193 -6.463 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.461 -7.640 -1.075 1.00 0.00 H new ATOM 260 N HIS A 18 -5.882 -5.191 -3.763 1.00 0.00 N ATOM 261 CA HIS A 18 -6.645 -4.609 -4.900 1.00 0.00 C ATOM 262 C HIS A 18 -7.562 -3.492 -4.403 1.00 0.00 C ATOM 263 O HIS A 18 -7.488 -2.367 -4.856 1.00 0.00 O ATOM 264 CB HIS A 18 -7.475 -5.766 -5.451 1.00 0.00 C ATOM 265 CG HIS A 18 -6.605 -6.644 -6.305 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.778 -6.128 -7.309 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.419 -8.008 -6.325 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.139 -7.168 -7.885 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.505 -8.306 -7.315 1.00 0.00 N ATOM 0 H HIS A 18 -6.196 -6.113 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.990 -4.175 -5.656 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.901 -6.345 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.310 -5.382 -6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.905 -8.722 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.430 -7.084 -8.695 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.171 -9.237 -7.564 1.00 0.00 H new ATOM 277 N SER A 19 -8.427 -3.793 -3.477 1.00 0.00 N ATOM 278 CA SER A 19 -9.345 -2.739 -2.960 1.00 0.00 C ATOM 279 C SER A 19 -8.556 -1.712 -2.144 1.00 0.00 C ATOM 280 O SER A 19 -9.019 -0.618 -1.896 1.00 0.00 O ATOM 281 CB SER A 19 -10.357 -3.475 -2.082 1.00 0.00 C ATOM 282 OG SER A 19 -10.151 -3.122 -0.720 1.00 0.00 O ATOM 0 H SER A 19 -8.539 -4.716 -3.057 1.00 0.00 H new ATOM 0 HA SER A 19 -9.840 -2.193 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.372 -3.218 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.249 -4.552 -2.210 1.00 0.00 H new ATOM 0 HG SER A 19 -9.491 -3.727 -0.321 1.00 0.00 H new ATOM 288 N SER A 20 -7.365 -2.054 -1.729 1.00 0.00 N ATOM 289 CA SER A 20 -6.548 -1.092 -0.934 1.00 0.00 C ATOM 290 C SER A 20 -6.127 0.091 -1.801 1.00 0.00 C ATOM 291 O SER A 20 -6.254 1.236 -1.413 1.00 0.00 O ATOM 292 CB SER A 20 -5.318 -1.877 -0.486 1.00 0.00 C ATOM 293 OG SER A 20 -4.208 -0.996 -0.388 1.00 0.00 O ATOM 0 H SER A 20 -6.924 -2.956 -1.906 1.00 0.00 H new ATOM 0 HA SER A 20 -7.107 -0.690 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.506 -2.351 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.102 -2.674 -1.197 1.00 0.00 H new ATOM 0 HG SER A 20 -3.417 -1.497 -0.099 1.00 0.00 H new ATOM 299 N ASN A 21 -5.618 -0.177 -2.967 1.00 0.00 N ATOM 300 CA ASN A 21 -5.178 0.935 -3.854 1.00 0.00 C ATOM 301 C ASN A 21 -6.383 1.739 -4.333 1.00 0.00 C ATOM 302 O ASN A 21 -6.288 2.924 -4.588 1.00 0.00 O ATOM 303 CB ASN A 21 -4.476 0.258 -5.031 1.00 0.00 C ATOM 304 CG ASN A 21 -3.656 1.294 -5.803 1.00 0.00 C ATOM 305 OD1 ASN A 21 -2.445 1.211 -5.854 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.270 2.274 -6.410 1.00 0.00 N ATOM 0 H ASN A 21 -5.487 -1.115 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.518 1.634 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.827 -0.540 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.212 -0.203 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.733 2.970 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.287 2.343 -6.367 1.00 0.00 H new ATOM 313 N ASN A 22 -7.518 1.113 -4.453 1.00 0.00 N ATOM 314 CA ASN A 22 -8.718 1.864 -4.910 1.00 0.00 C ATOM 315 C ASN A 22 -9.084 2.932 -3.878 1.00 0.00 C ATOM 316 O ASN A 22 -8.995 4.119 -4.134 1.00 0.00 O ATOM 317 CB ASN A 22 -9.827 0.817 -5.022 1.00 0.00 C ATOM 318 CG ASN A 22 -10.418 0.850 -6.434 1.00 0.00 C ATOM 319 OD1 ASN A 22 -10.678 -0.182 -7.020 1.00 0.00 O ATOM 320 ND2 ASN A 22 -10.642 2.001 -7.006 1.00 0.00 N ATOM 0 H ASN A 22 -7.667 0.123 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.553 2.376 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.429 -0.174 -4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.605 1.016 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.036 2.035 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.423 2.867 -6.513 1.00 0.00 H new ATOM 327 N PHE A 23 -9.481 2.519 -2.709 1.00 0.00 N ATOM 328 CA PHE A 23 -9.847 3.512 -1.661 1.00 0.00 C ATOM 329 C PHE A 23 -8.597 4.267 -1.207 1.00 0.00 C ATOM 330 O PHE A 23 -8.675 5.347 -0.659 1.00 0.00 O ATOM 331 CB PHE A 23 -10.490 2.697 -0.522 1.00 0.00 C ATOM 332 CG PHE A 23 -9.459 2.265 0.502 1.00 0.00 C ATOM 333 CD1 PHE A 23 -8.880 3.210 1.355 1.00 0.00 C ATOM 334 CD2 PHE A 23 -9.099 0.917 0.605 1.00 0.00 C ATOM 335 CE1 PHE A 23 -7.938 2.808 2.311 1.00 0.00 C ATOM 336 CE2 PHE A 23 -8.156 0.516 1.559 1.00 0.00 C ATOM 337 CZ PHE A 23 -7.575 1.460 2.412 1.00 0.00 C ATOM 0 H PHE A 23 -9.568 1.541 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.544 4.269 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.260 3.295 -0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.984 1.818 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.159 4.250 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.548 0.186 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.492 3.538 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.877 -0.524 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.848 1.149 3.147 1.00 0.00 H new ATOM 347 N GLY A 24 -7.441 3.718 -1.454 1.00 0.00 N ATOM 348 CA GLY A 24 -6.190 4.422 -1.059 1.00 0.00 C ATOM 349 C GLY A 24 -5.945 5.556 -2.051 1.00 0.00 C ATOM 350 O GLY A 24 -5.416 6.596 -1.711 1.00 0.00 O ATOM 0 H GLY A 24 -7.308 2.816 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.279 4.816 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.348 3.729 -1.059 1.00 0.00 H new ATOM 354 N ALA A 25 -6.339 5.358 -3.280 1.00 0.00 N ATOM 355 CA ALA A 25 -6.147 6.415 -4.310 1.00 0.00 C ATOM 356 C ALA A 25 -7.147 7.553 -4.093 1.00 0.00 C ATOM 357 O ALA A 25 -6.954 8.654 -4.567 1.00 0.00 O ATOM 358 CB ALA A 25 -6.406 5.717 -5.646 1.00 0.00 C ATOM 0 H ALA A 25 -6.787 4.505 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.152 6.857 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.284 6.432 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.697 4.899 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.422 5.322 -5.659 1.00 0.00 H new ATOM 364 N ILE A 26 -8.210 7.307 -3.370 1.00 0.00 N ATOM 365 CA ILE A 26 -9.202 8.398 -3.124 1.00 0.00 C ATOM 366 C ILE A 26 -8.788 9.121 -1.860 1.00 0.00 C ATOM 367 O ILE A 26 -8.645 10.327 -1.832 1.00 0.00 O ATOM 368 CB ILE A 26 -10.549 7.693 -2.965 1.00 0.00 C ATOM 369 CG1 ILE A 26 -10.665 6.565 -4.001 1.00 0.00 C ATOM 370 CG2 ILE A 26 -11.683 8.697 -3.182 1.00 0.00 C ATOM 371 CD1 ILE A 26 -9.947 6.964 -5.303 1.00 0.00 C ATOM 0 H ILE A 26 -8.433 6.408 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.260 9.135 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.619 7.275 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.229 5.649 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.715 6.356 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.642 8.192 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.605 9.498 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.610 9.117 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.036 6.157 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.402 7.868 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.893 7.150 -5.095 1.00 0.00 H new ATOM 383 N LEU A 27 -8.512 8.376 -0.835 1.00 0.00 N ATOM 384 CA LEU A 27 -8.012 8.998 0.408 1.00 0.00 C ATOM 385 C LEU A 27 -6.867 9.934 0.018 1.00 0.00 C ATOM 386 O LEU A 27 -6.560 10.898 0.692 1.00 0.00 O ATOM 387 CB LEU A 27 -7.510 7.809 1.218 1.00 0.00 C ATOM 388 CG LEU A 27 -8.627 7.295 2.135 1.00 0.00 C ATOM 389 CD1 LEU A 27 -9.952 7.237 1.369 1.00 0.00 C ATOM 390 CD2 LEU A 27 -8.270 5.894 2.636 1.00 0.00 C ATOM 0 H LEU A 27 -8.612 7.361 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.744 9.581 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.182 7.014 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.645 8.102 1.813 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.733 7.974 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.738 6.871 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.211 8.235 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.851 6.564 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.063 5.528 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.159 5.221 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.333 5.934 3.192 1.00 0.00 H new ATOM 402 N SER A 28 -6.250 9.639 -1.100 1.00 0.00 N ATOM 403 CA SER A 28 -5.131 10.467 -1.620 1.00 0.00 C ATOM 404 C SER A 28 -5.656 11.787 -2.199 1.00 0.00 C ATOM 405 O SER A 28 -4.906 12.572 -2.744 1.00 0.00 O ATOM 406 CB SER A 28 -4.544 9.607 -2.742 1.00 0.00 C ATOM 407 OG SER A 28 -3.700 8.611 -2.180 1.00 0.00 O ATOM 0 H SER A 28 -6.486 8.837 -1.684 1.00 0.00 H new ATOM 0 HA SER A 28 -4.408 10.730 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.345 9.140 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.979 10.230 -3.435 1.00 0.00 H new ATOM 0 HG SER A 28 -4.249 7.906 -1.777 1.00 0.00 H new ATOM 413 N SER A 29 -6.934 12.037 -2.094 1.00 0.00 N ATOM 414 CA SER A 29 -7.500 13.300 -2.649 1.00 0.00 C ATOM 415 C SER A 29 -8.920 13.494 -2.125 1.00 0.00 C ATOM 416 O SER A 29 -9.858 13.656 -2.881 1.00 0.00 O ATOM 417 CB SER A 29 -7.519 13.101 -4.167 1.00 0.00 C ATOM 418 OG SER A 29 -6.303 12.496 -4.582 1.00 0.00 O ATOM 0 H SER A 29 -7.611 11.419 -1.647 1.00 0.00 H new ATOM 0 HA SER A 29 -6.919 14.177 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.364 12.475 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.650 14.060 -4.668 1.00 0.00 H new ATOM 0 HG SER A 29 -5.555 12.893 -4.088 1.00 0.00 H new ATOM 424 N THR A 30 -9.084 13.468 -0.836 1.00 0.00 N ATOM 425 CA THR A 30 -10.447 13.638 -0.254 1.00 0.00 C ATOM 426 C THR A 30 -10.536 14.951 0.521 1.00 0.00 C ATOM 427 O THR A 30 -11.021 15.947 0.022 1.00 0.00 O ATOM 428 CB THR A 30 -10.661 12.441 0.688 1.00 0.00 C ATOM 429 OG1 THR A 30 -11.524 12.828 1.746 1.00 0.00 O ATOM 430 CG2 THR A 30 -9.327 11.954 1.273 1.00 0.00 C ATOM 0 H THR A 30 -8.335 13.336 -0.156 1.00 0.00 H new ATOM 0 HA THR A 30 -11.210 13.673 -1.031 1.00 0.00 H new ATOM 0 HB THR A 30 -11.105 11.626 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.665 12.068 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.508 11.107 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.665 11.647 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.860 12.762 1.836 1.00 0.00 H new ATOM 438 N ASN A 31 -10.080 14.957 1.739 1.00 0.00 N ATOM 439 CA ASN A 31 -10.147 16.204 2.552 1.00 0.00 C ATOM 440 C ASN A 31 -8.877 16.376 3.387 1.00 0.00 C ATOM 441 O ASN A 31 -8.771 17.281 4.191 1.00 0.00 O ATOM 442 CB ASN A 31 -11.358 16.018 3.464 1.00 0.00 C ATOM 443 CG ASN A 31 -11.818 17.382 3.989 1.00 0.00 C ATOM 444 OD1 ASN A 31 -12.894 17.499 4.541 1.00 0.00 O ATOM 445 ND2 ASN A 31 -11.044 18.426 3.841 1.00 0.00 N ATOM 0 H ASN A 31 -9.663 14.153 2.209 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.233 17.092 1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.168 15.535 2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.102 15.364 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.344 19.337 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.140 18.329 3.378 1.00 0.00 H new ATOM 452 N VAL A 32 -7.909 15.520 3.204 1.00 0.00 N ATOM 453 CA VAL A 32 -6.649 15.651 3.994 1.00 0.00 C ATOM 454 C VAL A 32 -5.855 16.876 3.527 1.00 0.00 C ATOM 455 O VAL A 32 -4.810 17.191 4.061 1.00 0.00 O ATOM 456 CB VAL A 32 -5.869 14.366 3.715 1.00 0.00 C ATOM 457 CG1 VAL A 32 -5.583 14.260 2.216 1.00 0.00 C ATOM 458 CG2 VAL A 32 -4.546 14.395 4.485 1.00 0.00 C ATOM 0 H VAL A 32 -7.934 14.740 2.547 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.842 15.786 5.058 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.458 13.506 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.027 13.344 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.524 14.241 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.994 15.120 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.989 13.479 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.957 15.254 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.748 14.472 5.553 1.00 0.00 H new ATOM 468 N GLY A 33 -6.344 17.569 2.534 1.00 0.00 N ATOM 469 CA GLY A 33 -5.622 18.773 2.032 1.00 0.00 C ATOM 470 C GLY A 33 -6.326 19.298 0.779 1.00 0.00 C ATOM 471 O GLY A 33 -6.981 20.320 0.807 1.00 0.00 O ATOM 0 H GLY A 33 -7.214 17.352 2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.600 19.545 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.586 18.521 1.803 1.00 0.00 H new ATOM 475 N SER A 34 -6.201 18.602 -0.317 1.00 0.00 N ATOM 476 CA SER A 34 -6.868 19.057 -1.570 1.00 0.00 C ATOM 477 C SER A 34 -6.411 20.472 -1.937 1.00 0.00 C ATOM 478 O SER A 34 -6.693 21.425 -1.238 1.00 0.00 O ATOM 479 CB SER A 34 -8.364 19.045 -1.251 1.00 0.00 C ATOM 480 OG SER A 34 -8.615 18.116 -0.204 1.00 0.00 O ATOM 0 H SER A 34 -5.666 17.738 -0.400 1.00 0.00 H new ATOM 0 HA SER A 34 -6.625 18.417 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.692 20.041 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.934 18.772 -2.139 1.00 0.00 H new ATOM 0 HG SER A 34 -9.443 17.626 -0.393 1.00 0.00 H new ATOM 486 N ASN A 35 -5.713 20.616 -3.030 1.00 0.00 N ATOM 487 CA ASN A 35 -5.246 21.971 -3.441 1.00 0.00 C ATOM 488 C ASN A 35 -6.423 22.787 -3.978 1.00 0.00 C ATOM 489 O ASN A 35 -6.447 23.177 -5.128 1.00 0.00 O ATOM 490 CB ASN A 35 -4.221 21.721 -4.548 1.00 0.00 C ATOM 491 CG ASN A 35 -3.560 23.043 -4.937 1.00 0.00 C ATOM 492 OD1 ASN A 35 -3.025 23.739 -4.098 1.00 0.00 O ATOM 493 ND2 ASN A 35 -3.574 23.424 -6.185 1.00 0.00 N ATOM 0 H ASN A 35 -5.446 19.856 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.817 22.531 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.467 21.011 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.708 21.276 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.136 24.305 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.023 22.841 -6.891 1.00 0.00 H new ATOM 500 N THR A 36 -7.405 23.041 -3.157 1.00 0.00 N ATOM 501 CA THR A 36 -8.582 23.825 -3.628 1.00 0.00 C ATOM 502 C THR A 36 -9.380 24.357 -2.433 1.00 0.00 C ATOM 503 O THR A 36 -10.511 23.974 -2.210 1.00 0.00 O ATOM 504 CB THR A 36 -9.421 22.826 -4.428 1.00 0.00 C ATOM 505 OG1 THR A 36 -8.617 21.706 -4.777 1.00 0.00 O ATOM 506 CG2 THR A 36 -9.945 23.495 -5.700 1.00 0.00 C ATOM 0 H THR A 36 -7.443 22.741 -2.183 1.00 0.00 H new ATOM 0 HA THR A 36 -8.291 24.690 -4.224 1.00 0.00 H new ATOM 0 HB THR A 36 -10.264 22.495 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.153 21.065 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.542 22.781 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.563 24.352 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.104 23.829 -6.308 1.00 0.00 H new ATOM 514 N TYR A 37 -8.801 25.239 -1.663 1.00 0.00 N ATOM 515 CA TYR A 37 -9.525 25.794 -0.489 1.00 0.00 C ATOM 516 C TYR A 37 -9.811 27.282 -0.701 1.00 0.00 C ATOM 517 O TYR A 37 -10.493 27.859 0.131 1.00 0.00 O ATOM 518 CB TYR A 37 -8.573 25.591 0.691 1.00 0.00 C ATOM 519 CG TYR A 37 -7.196 26.103 0.339 1.00 0.00 C ATOM 520 CD1 TYR A 37 -6.855 27.436 0.602 1.00 0.00 C ATOM 521 CD2 TYR A 37 -6.255 25.245 -0.246 1.00 0.00 C ATOM 522 CE1 TYR A 37 -5.578 27.910 0.281 1.00 0.00 C ATOM 523 CE2 TYR A 37 -4.978 25.720 -0.569 1.00 0.00 C ATOM 524 CZ TYR A 37 -4.640 27.052 -0.305 1.00 0.00 C ATOM 525 OH TYR A 37 -3.381 27.520 -0.622 1.00 0.00 O ATOM 526 OXT TYR A 37 -9.345 27.819 -1.693 1.00 0.00 O ATOM 0 H TYR A 37 -7.856 25.598 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 37 -10.487 25.308 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.951 26.115 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.521 24.533 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.579 28.099 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.515 24.216 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.316 28.938 0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.254 25.059 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.854 26.796 -1.020 1.00 0.00 H new TER 536 TYR A 37