USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 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 35 ASN : amide:sc=-0.000758 X(o=-0.00076,f=0) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 142:sc= -0.067 (180deg=-0.972) USER MOD Single : A 1 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0015) USER MOD Single : A 3 ASN : amide:sc=-0.00429 X(o=-0.0043,f=0.19) USER MOD Single : A 4 THR OG1 : rot 160:sc= -5.23! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 101:sc= 0.657 USER MOD Single : A 10 GLN : amide:sc= -2.36! K(o=-2.4!,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0138 X(o=-0.014,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= -4.09! C(o=-4.1!,f=-14!) USER MOD Single : A 22 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.7!) USER MOD Single : A 28 SER OG : rot 69:sc= 1.22 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.436 -19.566 0.925 1.00 0.00 N ATOM 2 CA LYS A 1 -15.971 -20.881 0.396 1.00 0.00 C ATOM 3 C LYS A 1 -15.022 -20.671 -0.786 1.00 0.00 C ATOM 4 O LYS A 1 -15.182 -19.754 -1.567 1.00 0.00 O ATOM 5 CB LYS A 1 -17.241 -21.597 -0.060 1.00 0.00 C ATOM 6 CG LYS A 1 -17.783 -20.921 -1.321 1.00 0.00 C ATOM 7 CD LYS A 1 -19.310 -20.841 -1.243 1.00 0.00 C ATOM 8 CE LYS A 1 -19.724 -19.549 -0.536 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.460 -19.993 0.680 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.435 -19.638 1.204 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.864 -19.303 1.752 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.334 -18.839 0.188 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.425 -21.455 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.027 -22.647 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.991 -21.570 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.361 -19.921 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.483 -21.483 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.737 -20.871 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.702 -21.703 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.854 -18.947 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.356 -18.934 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.805 -19.161 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.267 -20.586 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.822 -20.542 1.291 1.00 0.00 H new ATOM 25 N CYS A 2 -14.037 -21.516 -0.926 1.00 0.00 N ATOM 26 CA CYS A 2 -13.080 -21.366 -2.059 1.00 0.00 C ATOM 27 C CYS A 2 -12.592 -22.743 -2.520 1.00 0.00 C ATOM 28 O CYS A 2 -13.162 -23.343 -3.410 1.00 0.00 O ATOM 29 CB CYS A 2 -11.922 -20.545 -1.492 1.00 0.00 C ATOM 30 SG CYS A 2 -10.541 -20.528 -2.663 1.00 0.00 S ATOM 0 H CYS A 2 -13.854 -22.304 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 2 -13.533 -20.884 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -12.252 -19.526 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -11.598 -20.967 -0.541 1.00 0.00 H new ATOM 35 N ASN A 3 -11.547 -23.253 -1.920 1.00 0.00 N ATOM 36 CA ASN A 3 -11.037 -24.598 -2.335 1.00 0.00 C ATOM 37 C ASN A 3 -9.794 -25.010 -1.526 1.00 0.00 C ATOM 38 O ASN A 3 -9.305 -26.114 -1.658 1.00 0.00 O ATOM 39 CB ASN A 3 -10.671 -24.437 -3.812 1.00 0.00 C ATOM 40 CG ASN A 3 -10.869 -25.769 -4.537 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.691 -26.821 -3.957 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.236 -25.769 -5.790 1.00 0.00 N ATOM 0 H ASN A 3 -11.027 -22.802 -1.167 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.782 -25.375 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.292 -23.667 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.636 -24.110 -3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.373 -26.652 -6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.386 -24.886 -6.278 1.00 0.00 H new ATOM 49 N THR A 4 -9.279 -24.141 -0.699 1.00 0.00 N ATOM 50 CA THR A 4 -8.079 -24.475 0.102 1.00 0.00 C ATOM 51 C THR A 4 -7.653 -23.251 0.894 1.00 0.00 C ATOM 52 O THR A 4 -7.379 -22.210 0.348 1.00 0.00 O ATOM 53 CB THR A 4 -7.011 -24.895 -0.908 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.752 -24.980 -0.259 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.948 -23.867 -2.027 1.00 0.00 C ATOM 0 H THR A 4 -9.648 -23.202 -0.546 1.00 0.00 H new ATOM 0 HA THR A 4 -8.257 -25.275 0.821 1.00 0.00 H new ATOM 0 HB THR A 4 -7.263 -25.870 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.147 -25.539 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.188 -24.162 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.917 -23.809 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.694 -22.892 -1.611 1.00 0.00 H new ATOM 63 N ALA A 5 -7.611 -23.378 2.186 1.00 0.00 N ATOM 64 CA ALA A 5 -7.209 -22.235 3.062 1.00 0.00 C ATOM 65 C ALA A 5 -6.041 -21.439 2.454 1.00 0.00 C ATOM 66 O ALA A 5 -5.793 -20.312 2.834 1.00 0.00 O ATOM 67 CB ALA A 5 -6.782 -22.888 4.376 1.00 0.00 C ATOM 0 H ALA A 5 -7.841 -24.237 2.686 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.023 -21.522 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.470 -22.117 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.620 -23.445 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.951 -23.569 4.191 1.00 0.00 H new ATOM 73 N THR A 6 -5.336 -21.997 1.503 1.00 0.00 N ATOM 74 CA THR A 6 -4.215 -21.250 0.871 1.00 0.00 C ATOM 75 C THR A 6 -4.809 -20.249 -0.108 1.00 0.00 C ATOM 76 O THR A 6 -4.280 -19.182 -0.343 1.00 0.00 O ATOM 77 CB THR A 6 -3.408 -22.310 0.121 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.270 -21.702 -0.475 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.287 -22.938 -0.966 1.00 0.00 C ATOM 0 H THR A 6 -5.491 -22.937 1.139 1.00 0.00 H new ATOM 0 HA THR A 6 -3.595 -20.709 1.586 1.00 0.00 H new ATOM 0 HB THR A 6 -3.081 -23.084 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.750 -22.380 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.716 -23.695 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.160 -23.401 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.612 -22.165 -1.663 1.00 0.00 H new ATOM 87 N CYS A 7 -5.929 -20.605 -0.662 1.00 0.00 N ATOM 88 CA CYS A 7 -6.620 -19.716 -1.620 1.00 0.00 C ATOM 89 C CYS A 7 -7.469 -18.712 -0.842 1.00 0.00 C ATOM 90 O CYS A 7 -7.595 -17.567 -1.212 1.00 0.00 O ATOM 91 CB CYS A 7 -7.493 -20.671 -2.446 1.00 0.00 C ATOM 92 SG CYS A 7 -8.986 -21.116 -1.523 1.00 0.00 S ATOM 0 H CYS A 7 -6.401 -21.492 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.948 -19.137 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.768 -20.199 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.928 -21.570 -2.692 1.00 0.00 H new ATOM 97 N ALA A 8 -8.045 -19.146 0.245 1.00 0.00 N ATOM 98 CA ALA A 8 -8.882 -18.229 1.060 1.00 0.00 C ATOM 99 C ALA A 8 -8.016 -17.110 1.625 1.00 0.00 C ATOM 100 O ALA A 8 -8.385 -15.959 1.593 1.00 0.00 O ATOM 101 CB ALA A 8 -9.454 -19.096 2.183 1.00 0.00 C ATOM 0 H ALA A 8 -7.970 -20.098 0.602 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.675 -17.759 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.085 -18.485 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.047 -19.903 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.637 -19.518 2.769 1.00 0.00 H new ATOM 107 N THR A 9 -6.859 -17.435 2.128 1.00 0.00 N ATOM 108 CA THR A 9 -5.975 -16.371 2.672 1.00 0.00 C ATOM 109 C THR A 9 -5.334 -15.611 1.510 1.00 0.00 C ATOM 110 O THR A 9 -5.127 -14.416 1.575 1.00 0.00 O ATOM 111 CB THR A 9 -4.913 -17.102 3.495 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.452 -18.317 3.993 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.475 -16.220 4.666 1.00 0.00 C ATOM 0 H THR A 9 -6.490 -18.384 2.186 1.00 0.00 H new ATOM 0 HA THR A 9 -6.514 -15.647 3.283 1.00 0.00 H new ATOM 0 HB THR A 9 -4.052 -17.319 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.140 -19.064 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.718 -16.742 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.059 -15.288 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.335 -16.001 5.298 1.00 0.00 H new ATOM 121 N GLN A 10 -5.018 -16.300 0.444 1.00 0.00 N ATOM 122 CA GLN A 10 -4.391 -15.618 -0.721 1.00 0.00 C ATOM 123 C GLN A 10 -5.453 -14.919 -1.586 1.00 0.00 C ATOM 124 O GLN A 10 -5.163 -13.999 -2.335 1.00 0.00 O ATOM 125 CB GLN A 10 -3.708 -16.736 -1.512 1.00 0.00 C ATOM 126 CG GLN A 10 -2.656 -16.135 -2.446 1.00 0.00 C ATOM 127 CD GLN A 10 -1.566 -15.454 -1.615 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.539 -16.042 -1.341 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.749 -14.232 -1.200 1.00 0.00 N ATOM 0 H GLN A 10 -5.168 -17.303 0.332 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.690 -14.844 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.240 -17.445 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.447 -17.291 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.219 -16.915 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.120 -15.413 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.612 -13.739 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.030 -13.769 -0.645 1.00 0.00 H new ATOM 138 N ARG A 11 -6.689 -15.311 -1.464 1.00 0.00 N ATOM 139 CA ARG A 11 -7.746 -14.645 -2.264 1.00 0.00 C ATOM 140 C ARG A 11 -8.203 -13.458 -1.456 1.00 0.00 C ATOM 141 O ARG A 11 -8.367 -12.358 -1.947 1.00 0.00 O ATOM 142 CB ARG A 11 -8.859 -15.682 -2.421 1.00 0.00 C ATOM 143 CG ARG A 11 -9.935 -15.137 -3.359 1.00 0.00 C ATOM 144 CD ARG A 11 -9.278 -14.615 -4.640 1.00 0.00 C ATOM 145 NE ARG A 11 -8.425 -15.740 -5.115 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.295 -15.495 -5.724 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.184 -14.453 -6.501 1.00 0.00 N ATOM 148 NH2 ARG A 11 -6.277 -16.295 -5.554 1.00 0.00 N ATOM 0 H ARG A 11 -7.010 -16.059 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.424 -14.302 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.451 -16.611 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.293 -15.915 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.654 -15.920 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.488 -14.336 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.025 -14.343 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.683 -13.723 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.724 -16.704 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.980 -13.829 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.302 -14.263 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.365 -17.110 -4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.394 -16.105 -6.029 1.00 0.00 H new ATOM 162 N LEU A 12 -8.341 -13.681 -0.191 1.00 0.00 N ATOM 163 CA LEU A 12 -8.710 -12.591 0.722 1.00 0.00 C ATOM 164 C LEU A 12 -7.688 -11.469 0.570 1.00 0.00 C ATOM 165 O LEU A 12 -7.995 -10.301 0.706 1.00 0.00 O ATOM 166 CB LEU A 12 -8.611 -13.241 2.095 1.00 0.00 C ATOM 167 CG LEU A 12 -9.973 -13.804 2.523 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.855 -12.666 3.039 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.664 -14.478 1.331 1.00 0.00 C ATOM 0 H LEU A 12 -8.211 -14.590 0.254 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.694 -12.159 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.871 -14.041 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.267 -12.509 2.826 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.820 -14.541 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.823 -13.065 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.373 -12.191 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.999 -11.930 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.629 -14.874 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.813 -13.747 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.041 -15.293 0.962 1.00 0.00 H new ATOM 181 N ALA A 13 -6.468 -11.828 0.266 1.00 0.00 N ATOM 182 CA ALA A 13 -5.412 -10.802 0.078 1.00 0.00 C ATOM 183 C ALA A 13 -5.705 -10.010 -1.198 1.00 0.00 C ATOM 184 O ALA A 13 -5.438 -8.828 -1.293 1.00 0.00 O ATOM 185 CB ALA A 13 -4.110 -11.591 -0.057 1.00 0.00 C ATOM 0 H ALA A 13 -6.161 -12.793 0.140 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.359 -10.089 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.279 -10.900 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.944 -12.177 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.177 -12.260 -0.915 1.00 0.00 H new ATOM 191 N ASN A 14 -6.271 -10.663 -2.174 1.00 0.00 N ATOM 192 CA ASN A 14 -6.613 -9.969 -3.447 1.00 0.00 C ATOM 193 C ASN A 14 -7.528 -8.790 -3.137 1.00 0.00 C ATOM 194 O ASN A 14 -7.307 -7.683 -3.588 1.00 0.00 O ATOM 195 CB ASN A 14 -7.349 -11.015 -4.286 1.00 0.00 C ATOM 196 CG ASN A 14 -7.279 -10.628 -5.765 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.294 -10.469 -6.412 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.114 -10.467 -6.331 1.00 0.00 N ATOM 0 H ASN A 14 -6.513 -11.653 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.738 -9.583 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.902 -11.997 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.389 -11.086 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.057 -10.208 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.261 -10.600 -5.788 1.00 0.00 H new ATOM 205 N PHE A 15 -8.543 -9.010 -2.343 1.00 0.00 N ATOM 206 CA PHE A 15 -9.446 -7.888 -1.981 1.00 0.00 C ATOM 207 C PHE A 15 -8.679 -6.955 -1.060 1.00 0.00 C ATOM 208 O PHE A 15 -8.976 -5.785 -0.949 1.00 0.00 O ATOM 209 CB PHE A 15 -10.638 -8.502 -1.239 1.00 0.00 C ATOM 210 CG PHE A 15 -10.994 -9.840 -1.837 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.211 -9.957 -3.214 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.103 -10.962 -1.011 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.538 -11.200 -3.765 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.431 -12.204 -1.561 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.648 -12.325 -2.940 1.00 0.00 C ATOM 0 H PHE A 15 -8.781 -9.913 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.791 -7.331 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.396 -8.621 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.495 -7.831 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.126 -9.089 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.934 -10.869 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.706 -11.292 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.517 -13.071 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.900 -13.285 -3.366 1.00 0.00 H new ATOM 225 N LEU A 16 -7.667 -7.462 -0.409 1.00 0.00 N ATOM 226 CA LEU A 16 -6.874 -6.580 0.484 1.00 0.00 C ATOM 227 C LEU A 16 -6.476 -5.343 -0.307 1.00 0.00 C ATOM 228 O LEU A 16 -6.405 -4.251 0.217 1.00 0.00 O ATOM 229 CB LEU A 16 -5.646 -7.394 0.879 1.00 0.00 C ATOM 230 CG LEU A 16 -5.335 -7.161 2.357 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.345 -7.923 3.214 1.00 0.00 C ATOM 232 CD2 LEU A 16 -3.924 -7.663 2.666 1.00 0.00 C ATOM 0 H LEU A 16 -7.361 -8.434 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.421 -6.257 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.825 -8.454 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.792 -7.105 0.267 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.398 -6.096 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.125 -7.758 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.351 -7.567 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.280 -8.988 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.701 -7.497 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.860 -8.728 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.203 -7.122 2.053 1.00 0.00 H new ATOM 244 N VAL A 17 -6.235 -5.510 -1.579 1.00 0.00 N ATOM 245 CA VAL A 17 -5.861 -4.341 -2.426 1.00 0.00 C ATOM 246 C VAL A 17 -7.120 -3.709 -3.040 1.00 0.00 C ATOM 247 O VAL A 17 -7.377 -2.529 -2.885 1.00 0.00 O ATOM 248 CB VAL A 17 -4.954 -4.910 -3.517 1.00 0.00 C ATOM 249 CG1 VAL A 17 -4.608 -3.811 -4.522 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.666 -5.437 -2.880 1.00 0.00 C ATOM 0 H VAL A 17 -6.281 -6.404 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.361 -3.560 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.470 -5.721 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.961 -4.219 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.524 -3.431 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.092 -2.999 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.017 -5.844 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.154 -4.623 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.909 -6.221 -2.163 1.00 0.00 H new ATOM 260 N HIS A 18 -7.906 -4.488 -3.735 1.00 0.00 N ATOM 261 CA HIS A 18 -9.147 -3.942 -4.362 1.00 0.00 C ATOM 262 C HIS A 18 -10.093 -3.400 -3.288 1.00 0.00 C ATOM 263 O HIS A 18 -10.710 -2.369 -3.454 1.00 0.00 O ATOM 264 CB HIS A 18 -9.777 -5.136 -5.082 1.00 0.00 C ATOM 265 CG HIS A 18 -9.134 -5.297 -6.431 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.785 -5.927 -7.500 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.902 -4.915 -6.911 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.948 -5.905 -8.557 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.812 -5.305 -8.232 1.00 0.00 N ATOM 0 H HIS A 18 -7.742 -5.482 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.939 -3.115 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.644 -6.043 -4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.850 -4.983 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.137 -4.399 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.172 -6.318 -9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.013 -5.158 -8.849 1.00 0.00 H new ATOM 277 N SER A 19 -10.195 -4.082 -2.182 1.00 0.00 N ATOM 278 CA SER A 19 -11.082 -3.607 -1.088 1.00 0.00 C ATOM 279 C SER A 19 -10.354 -2.523 -0.300 1.00 0.00 C ATOM 280 O SER A 19 -10.958 -1.604 0.215 1.00 0.00 O ATOM 281 CB SER A 19 -11.341 -4.833 -0.213 1.00 0.00 C ATOM 282 OG SER A 19 -12.725 -4.899 0.105 1.00 0.00 O ATOM 0 H SER A 19 -9.699 -4.952 -1.989 1.00 0.00 H new ATOM 0 HA SER A 19 -12.017 -3.182 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.032 -5.739 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.749 -4.774 0.700 1.00 0.00 H new ATOM 0 HG SER A 19 -12.895 -5.685 0.665 1.00 0.00 H new ATOM 288 N SER A 20 -9.052 -2.616 -0.220 1.00 0.00 N ATOM 289 CA SER A 20 -8.283 -1.577 0.517 1.00 0.00 C ATOM 290 C SER A 20 -8.803 -0.208 0.110 1.00 0.00 C ATOM 291 O SER A 20 -9.014 0.662 0.931 1.00 0.00 O ATOM 292 CB SER A 20 -6.832 -1.749 0.075 1.00 0.00 C ATOM 293 OG SER A 20 -6.261 -0.470 -0.170 1.00 0.00 O ATOM 0 H SER A 20 -8.493 -3.363 -0.632 1.00 0.00 H new ATOM 0 HA SER A 20 -8.377 -1.669 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.265 -2.272 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.784 -2.360 -0.826 1.00 0.00 H new ATOM 0 HG SER A 20 -5.329 -0.577 -0.452 1.00 0.00 H new ATOM 299 N ASN A 21 -9.025 -0.019 -1.162 1.00 0.00 N ATOM 300 CA ASN A 21 -9.553 1.288 -1.630 1.00 0.00 C ATOM 301 C ASN A 21 -10.686 1.716 -0.702 1.00 0.00 C ATOM 302 O ASN A 21 -10.894 2.886 -0.448 1.00 0.00 O ATOM 303 CB ASN A 21 -10.071 1.029 -3.048 1.00 0.00 C ATOM 304 CG ASN A 21 -11.411 0.294 -2.982 1.00 0.00 C ATOM 305 OD1 ASN A 21 -11.578 -0.621 -2.201 1.00 0.00 O ATOM 306 ND2 ASN A 21 -12.381 0.661 -3.774 1.00 0.00 N ATOM 0 H ASN A 21 -8.864 -0.712 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.805 2.081 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.189 1.973 -3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.347 0.436 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.279 0.179 -3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.241 1.429 -4.430 1.00 0.00 H new ATOM 313 N ASN A 22 -11.408 0.762 -0.176 1.00 0.00 N ATOM 314 CA ASN A 22 -12.519 1.104 0.759 1.00 0.00 C ATOM 315 C ASN A 22 -11.942 1.376 2.147 1.00 0.00 C ATOM 316 O ASN A 22 -12.198 2.399 2.757 1.00 0.00 O ATOM 317 CB ASN A 22 -13.422 -0.130 0.779 1.00 0.00 C ATOM 318 CG ASN A 22 -14.887 0.311 0.759 1.00 0.00 C ATOM 319 OD1 ASN A 22 -15.178 1.482 0.613 1.00 0.00 O ATOM 320 ND2 ASN A 22 -15.827 -0.582 0.903 1.00 0.00 N ATOM 0 H ASN A 22 -11.277 -0.234 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.070 1.993 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -13.210 -0.763 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.222 -0.726 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.806 -0.298 0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.582 -1.565 1.025 1.00 0.00 H new ATOM 327 N PHE A 23 -11.145 0.471 2.639 1.00 0.00 N ATOM 328 CA PHE A 23 -10.522 0.667 3.977 1.00 0.00 C ATOM 329 C PHE A 23 -9.783 2.010 3.993 1.00 0.00 C ATOM 330 O PHE A 23 -9.700 2.676 5.005 1.00 0.00 O ATOM 331 CB PHE A 23 -9.555 -0.525 4.131 1.00 0.00 C ATOM 332 CG PHE A 23 -8.211 -0.071 4.664 1.00 0.00 C ATOM 333 CD1 PHE A 23 -7.300 0.560 3.809 1.00 0.00 C ATOM 334 CD2 PHE A 23 -7.881 -0.281 6.008 1.00 0.00 C ATOM 335 CE1 PHE A 23 -6.059 0.983 4.299 1.00 0.00 C ATOM 336 CE2 PHE A 23 -6.639 0.141 6.497 1.00 0.00 C ATOM 337 CZ PHE A 23 -5.728 0.774 5.642 1.00 0.00 C ATOM 0 H PHE A 23 -10.897 -0.400 2.170 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.240 0.696 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.987 -1.263 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.421 -1.015 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.554 0.720 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.584 -0.768 6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.356 1.471 3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.383 -0.022 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.770 1.101 6.019 1.00 0.00 H new ATOM 347 N GLY A 24 -9.249 2.407 2.872 1.00 0.00 N ATOM 348 CA GLY A 24 -8.519 3.702 2.811 1.00 0.00 C ATOM 349 C GLY A 24 -9.515 4.835 2.575 1.00 0.00 C ATOM 350 O GLY A 24 -9.233 5.988 2.837 1.00 0.00 O ATOM 0 H GLY A 24 -9.287 1.889 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.975 3.869 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.781 3.679 2.009 1.00 0.00 H new ATOM 354 N ALA A 25 -10.684 4.516 2.086 1.00 0.00 N ATOM 355 CA ALA A 25 -11.703 5.575 1.840 1.00 0.00 C ATOM 356 C ALA A 25 -12.181 6.151 3.173 1.00 0.00 C ATOM 357 O ALA A 25 -12.622 7.280 3.252 1.00 0.00 O ATOM 358 CB ALA A 25 -12.848 4.866 1.116 1.00 0.00 C ATOM 0 H ALA A 25 -10.976 3.568 1.847 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.310 6.405 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.640 5.582 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.480 4.439 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.241 4.070 1.749 1.00 0.00 H new ATOM 364 N ILE A 26 -12.081 5.386 4.229 1.00 0.00 N ATOM 365 CA ILE A 26 -12.510 5.899 5.563 1.00 0.00 C ATOM 366 C ILE A 26 -11.294 6.522 6.213 1.00 0.00 C ATOM 367 O ILE A 26 -11.351 7.569 6.828 1.00 0.00 O ATOM 368 CB ILE A 26 -13.015 4.671 6.327 1.00 0.00 C ATOM 369 CG1 ILE A 26 -13.783 3.745 5.367 1.00 0.00 C ATOM 370 CG2 ILE A 26 -13.950 5.120 7.453 1.00 0.00 C ATOM 371 CD1 ILE A 26 -14.573 4.581 4.348 1.00 0.00 C ATOM 0 H ILE A 26 -11.722 4.431 4.225 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.295 6.655 5.528 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.165 4.134 6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.086 3.088 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.463 3.107 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.310 4.247 7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.409 5.775 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.798 5.658 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.113 3.917 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.283 5.220 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.884 5.200 3.773 1.00 0.00 H new ATOM 383 N LEU A 27 -10.172 5.909 5.997 1.00 0.00 N ATOM 384 CA LEU A 27 -8.903 6.470 6.498 1.00 0.00 C ATOM 385 C LEU A 27 -8.595 7.721 5.667 1.00 0.00 C ATOM 386 O LEU A 27 -7.678 8.465 5.946 1.00 0.00 O ATOM 387 CB LEU A 27 -7.894 5.356 6.246 1.00 0.00 C ATOM 388 CG LEU A 27 -7.805 4.458 7.485 1.00 0.00 C ATOM 389 CD1 LEU A 27 -9.084 3.630 7.616 1.00 0.00 C ATOM 390 CD2 LEU A 27 -6.604 3.516 7.353 1.00 0.00 C ATOM 0 H LEU A 27 -10.082 5.030 5.487 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.906 6.766 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.194 4.768 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.916 5.781 6.020 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.684 5.082 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.016 2.993 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.941 4.297 7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.208 3.009 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.543 2.879 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.724 2.896 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.689 4.103 7.265 1.00 0.00 H new ATOM 402 N SER A 28 -9.391 7.957 4.645 1.00 0.00 N ATOM 403 CA SER A 28 -9.210 9.155 3.785 1.00 0.00 C ATOM 404 C SER A 28 -9.807 10.381 4.486 1.00 0.00 C ATOM 405 O SER A 28 -9.871 11.460 3.934 1.00 0.00 O ATOM 406 CB SER A 28 -9.999 8.830 2.516 1.00 0.00 C ATOM 407 OG SER A 28 -9.120 8.285 1.541 1.00 0.00 O ATOM 0 H SER A 28 -10.168 7.354 4.374 1.00 0.00 H new ATOM 0 HA SER A 28 -8.164 9.378 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.795 8.120 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.475 9.731 2.130 1.00 0.00 H new ATOM 0 HG SER A 28 -8.825 7.395 1.827 1.00 0.00 H new ATOM 413 N SER A 29 -10.244 10.217 5.704 1.00 0.00 N ATOM 414 CA SER A 29 -10.830 11.361 6.451 1.00 0.00 C ATOM 415 C SER A 29 -9.847 11.790 7.539 1.00 0.00 C ATOM 416 O SER A 29 -10.229 12.194 8.619 1.00 0.00 O ATOM 417 CB SER A 29 -12.119 10.814 7.068 1.00 0.00 C ATOM 418 OG SER A 29 -13.178 11.734 6.844 1.00 0.00 O ATOM 0 H SER A 29 -10.219 9.335 6.215 1.00 0.00 H new ATOM 0 HA SER A 29 -11.030 12.229 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.364 9.847 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.983 10.653 8.137 1.00 0.00 H new ATOM 0 HG SER A 29 -14.004 11.384 7.237 1.00 0.00 H new ATOM 424 N THR A 30 -8.578 11.676 7.263 1.00 0.00 N ATOM 425 CA THR A 30 -7.554 12.045 8.281 1.00 0.00 C ATOM 426 C THR A 30 -6.167 12.108 7.653 1.00 0.00 C ATOM 427 O THR A 30 -5.518 13.136 7.636 1.00 0.00 O ATOM 428 CB THR A 30 -7.610 10.924 9.323 1.00 0.00 C ATOM 429 OG1 THR A 30 -6.380 10.872 10.032 1.00 0.00 O ATOM 430 CG2 THR A 30 -7.877 9.564 8.664 1.00 0.00 C ATOM 0 H THR A 30 -8.205 11.342 6.374 1.00 0.00 H new ATOM 0 HA THR A 30 -7.749 13.026 8.715 1.00 0.00 H new ATOM 0 HB THR A 30 -8.429 11.139 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.417 10.156 10.700 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.911 8.789 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.831 9.596 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.079 9.340 7.956 1.00 0.00 H new ATOM 438 N ASN A 31 -5.712 11.008 7.135 1.00 0.00 N ATOM 439 CA ASN A 31 -4.366 10.978 6.498 1.00 0.00 C ATOM 440 C ASN A 31 -4.402 11.730 5.158 1.00 0.00 C ATOM 441 O ASN A 31 -3.415 11.805 4.452 1.00 0.00 O ATOM 442 CB ASN A 31 -4.060 9.481 6.301 1.00 0.00 C ATOM 443 CG ASN A 31 -4.468 9.035 4.890 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.376 8.244 4.726 1.00 0.00 O ATOM 445 ND2 ASN A 31 -3.823 9.517 3.863 1.00 0.00 N ATOM 0 H ASN A 31 -6.215 10.121 7.124 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.599 11.465 7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.997 9.297 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.596 8.892 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.080 9.230 2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.062 10.181 4.005 1.00 0.00 H new ATOM 452 N VAL A 32 -5.529 12.292 4.806 1.00 0.00 N ATOM 453 CA VAL A 32 -5.621 13.037 3.511 1.00 0.00 C ATOM 454 C VAL A 32 -4.901 14.387 3.617 1.00 0.00 C ATOM 455 O VAL A 32 -5.012 15.235 2.755 1.00 0.00 O ATOM 456 CB VAL A 32 -7.124 13.228 3.273 1.00 0.00 C ATOM 457 CG1 VAL A 32 -7.362 14.385 2.299 1.00 0.00 C ATOM 458 CG2 VAL A 32 -7.705 11.946 2.677 1.00 0.00 C ATOM 0 H VAL A 32 -6.388 12.269 5.356 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.147 12.502 2.688 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.609 13.454 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.433 14.511 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.948 15.303 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.875 14.166 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.774 12.076 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.210 11.728 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.547 11.119 3.369 1.00 0.00 H new ATOM 468 N GLY A 33 -4.152 14.584 4.664 1.00 0.00 N ATOM 469 CA GLY A 33 -3.415 15.870 4.824 1.00 0.00 C ATOM 470 C GLY A 33 -2.083 15.802 4.069 1.00 0.00 C ATOM 471 O GLY A 33 -1.099 16.388 4.474 1.00 0.00 O ATOM 0 H GLY A 33 -4.017 13.910 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.018 16.695 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.235 16.068 5.881 1.00 0.00 H new ATOM 475 N SER A 34 -2.043 15.093 2.971 1.00 0.00 N ATOM 476 CA SER A 34 -0.778 14.993 2.190 1.00 0.00 C ATOM 477 C SER A 34 -0.854 15.906 0.961 1.00 0.00 C ATOM 478 O SER A 34 -0.238 15.650 -0.056 1.00 0.00 O ATOM 479 CB SER A 34 -0.695 13.526 1.769 1.00 0.00 C ATOM 480 OG SER A 34 -1.347 12.722 2.745 1.00 0.00 O ATOM 0 H SER A 34 -2.834 14.579 2.582 1.00 0.00 H new ATOM 0 HA SER A 34 0.097 15.301 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.164 13.388 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.347 13.223 1.668 1.00 0.00 H new ATOM 0 HG SER A 34 -1.298 11.780 2.479 1.00 0.00 H new ATOM 486 N ASN A 35 -1.611 16.966 1.051 1.00 0.00 N ATOM 487 CA ASN A 35 -1.740 17.898 -0.105 1.00 0.00 C ATOM 488 C ASN A 35 -2.106 17.121 -1.371 1.00 0.00 C ATOM 489 O ASN A 35 -1.405 17.162 -2.363 1.00 0.00 O ATOM 490 CB ASN A 35 -0.366 18.552 -0.251 1.00 0.00 C ATOM 491 CG ASN A 35 -0.538 20.061 -0.436 1.00 0.00 C ATOM 492 OD1 ASN A 35 0.059 20.845 0.274 1.00 0.00 O ATOM 493 ND2 ASN A 35 -1.342 20.504 -1.366 1.00 0.00 N ATOM 0 H ASN A 35 -2.147 17.227 1.878 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.524 18.639 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.241 18.350 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.162 18.128 -1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.468 21.508 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.844 19.846 -1.962 1.00 0.00 H new ATOM 500 N THR A 36 -3.203 16.415 -1.344 1.00 0.00 N ATOM 501 CA THR A 36 -3.618 15.637 -2.545 1.00 0.00 C ATOM 502 C THR A 36 -5.100 15.870 -2.836 1.00 0.00 C ATOM 503 O THR A 36 -5.849 14.950 -3.096 1.00 0.00 O ATOM 504 CB THR A 36 -3.357 14.173 -2.181 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.958 13.960 -2.053 1.00 0.00 O ATOM 506 CG2 THR A 36 -3.915 13.260 -3.273 1.00 0.00 C ATOM 0 H THR A 36 -3.830 16.343 -0.542 1.00 0.00 H new ATOM 0 HA THR A 36 -3.071 15.933 -3.441 1.00 0.00 H new ATOM 0 HB THR A 36 -3.849 13.944 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.790 13.023 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.726 12.219 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.989 13.421 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.428 13.487 -4.221 1.00 0.00 H new ATOM 514 N TYR A 37 -5.523 17.101 -2.796 1.00 0.00 N ATOM 515 CA TYR A 37 -6.950 17.413 -3.066 1.00 0.00 C ATOM 516 C TYR A 37 -7.061 18.477 -4.163 1.00 0.00 C ATOM 517 O TYR A 37 -6.198 19.338 -4.214 1.00 0.00 O ATOM 518 CB TYR A 37 -7.485 17.951 -1.743 1.00 0.00 C ATOM 519 CG TYR A 37 -6.527 18.975 -1.182 1.00 0.00 C ATOM 520 CD1 TYR A 37 -6.460 20.254 -1.748 1.00 0.00 C ATOM 521 CD2 TYR A 37 -5.709 18.647 -0.095 1.00 0.00 C ATOM 522 CE1 TYR A 37 -5.576 21.205 -1.224 1.00 0.00 C ATOM 523 CE2 TYR A 37 -4.825 19.598 0.430 1.00 0.00 C ATOM 524 CZ TYR A 37 -4.757 20.877 -0.136 1.00 0.00 C ATOM 525 OH TYR A 37 -3.886 21.815 0.381 1.00 0.00 O ATOM 526 OXT TYR A 37 -8.008 18.412 -4.929 1.00 0.00 O ATOM 0 H TYR A 37 -4.937 17.909 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.508 16.543 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.466 18.401 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.615 17.134 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.090 20.507 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.759 17.660 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.526 22.192 -1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.196 19.345 1.271 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.393 21.425 1.133 1.00 0.00 H new TER 536 TYR A 37