USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-1.7) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -132:sc= -0.591 (180deg=-2.74!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.933 K(o=-0.93,f=-5.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00191 X(o=-0.0019,f=-0.42) USER MOD Single : A 25 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.3!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.025) USER MOD Single : A 30 SER OG : rot -47:sc= 0.625 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.336 K(o=0.34,f=-5!) USER MOD Single : A 33 ASN : amide:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.48 USER MOD Single : A 42 ASN : amide:sc= -0.777 K(o=-0.78,f=-4.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.237 K(o=0.24,f=-4.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 0:sc= -0.768 USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= -0.15 (180deg=-0.915) USER MOD Single : A 52 ASN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.183) USER MOD Single : A 63 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 2.825 -1.043 1.000 1.00 0.00 N ATOM 32 CA ILE A 3 3.814 -0.401 0.142 1.00 0.00 C ATOM 33 C ILE A 3 5.173 -0.357 0.834 1.00 0.00 C ATOM 34 O ILE A 3 5.258 -0.127 2.040 1.00 0.00 O ATOM 35 CB ILE A 3 3.366 1.022 -0.197 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.211 1.562 -1.353 1.00 0.00 C ATOM 37 CG2 ILE A 3 3.548 1.920 1.028 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.659 1.035 -2.680 1.00 0.00 C ATOM 0 HA ILE A 3 3.904 -0.982 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 3 2.316 1.011 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.198 2.652 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.250 1.255 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.229 2.934 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.947 1.537 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.598 1.930 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.261 1.420 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.695 -0.054 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.627 1.364 -2.801 1.00 0.00 H new ATOM 50 N GLU A 4 6.232 -0.581 0.063 1.00 0.00 N ATOM 51 CA GLU A 4 7.582 -0.565 0.617 1.00 0.00 C ATOM 52 C GLU A 4 7.806 0.698 1.442 1.00 0.00 C ATOM 53 O GLU A 4 7.029 1.650 1.361 1.00 0.00 O ATOM 54 CB GLU A 4 8.612 -0.631 -0.512 1.00 0.00 C ATOM 55 CG GLU A 4 8.465 0.596 -1.414 1.00 0.00 C ATOM 56 CD GLU A 4 9.450 0.509 -2.575 1.00 0.00 C ATOM 57 OE1 GLU A 4 10.127 -0.501 -2.678 1.00 0.00 O ATOM 58 OE2 GLU A 4 9.513 1.454 -3.344 1.00 0.00 O ATOM 0 H GLU A 4 6.184 -0.774 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 4 7.700 -1.434 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.619 -0.671 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.471 -1.542 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.446 0.658 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.646 1.504 -0.839 1.00 0.00 H new ATOM 65 N SER A 5 8.870 0.698 2.237 1.00 0.00 N ATOM 66 CA SER A 5 9.184 1.849 3.076 1.00 0.00 C ATOM 67 C SER A 5 9.197 3.130 2.247 1.00 0.00 C ATOM 68 O SER A 5 9.756 3.168 1.152 1.00 0.00 O ATOM 69 CB SER A 5 10.546 1.655 3.742 1.00 0.00 C ATOM 70 OG SER A 5 10.442 0.642 4.734 1.00 0.00 O ATOM 0 H SER A 5 9.525 -0.079 2.318 1.00 0.00 H new ATOM 0 HA SER A 5 8.415 1.935 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.292 1.376 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.880 2.589 4.193 1.00 0.00 H new ATOM 0 HG SER A 5 11.314 0.513 5.163 1.00 0.00 H new ATOM 76 N HIS A 6 8.574 4.177 2.780 1.00 0.00 N ATOM 77 CA HIS A 6 8.516 5.458 2.085 1.00 0.00 C ATOM 78 C HIS A 6 9.688 6.346 2.492 1.00 0.00 C ATOM 79 O HIS A 6 9.614 7.571 2.389 1.00 0.00 O ATOM 80 CB HIS A 6 7.202 6.167 2.414 1.00 0.00 C ATOM 81 CG HIS A 6 7.132 6.429 3.893 1.00 0.00 C ATOM 82 ND1 HIS A 6 7.703 7.551 4.473 1.00 0.00 N ATOM 83 CD2 HIS A 6 6.566 5.721 4.925 1.00 0.00 C ATOM 84 CE1 HIS A 6 7.471 7.486 5.797 1.00 0.00 C ATOM 85 NE2 HIS A 6 6.781 6.391 6.126 1.00 0.00 N ATOM 0 H HIS A 6 8.105 4.164 3.686 1.00 0.00 H new ATOM 0 HA HIS A 6 8.574 5.271 1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.135 7.106 1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.357 5.553 2.102 1.00 0.00 H new ATOM 0 HD1 HIS A 6 8.207 8.291 3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.035 4.786 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 6 7.803 8.229 6.507 1.00 0.00 H new ATOM 94 N GLN A 7 10.767 5.724 2.957 1.00 0.00 N ATOM 95 CA GLN A 7 11.945 6.474 3.378 1.00 0.00 C ATOM 96 C GLN A 7 12.516 7.275 2.212 1.00 0.00 C ATOM 97 O GLN A 7 12.628 6.771 1.095 1.00 0.00 O ATOM 98 CB GLN A 7 13.010 5.516 3.914 1.00 0.00 C ATOM 99 CG GLN A 7 14.142 6.321 4.556 1.00 0.00 C ATOM 100 CD GLN A 7 15.210 5.378 5.099 1.00 0.00 C ATOM 101 OE1 GLN A 7 15.791 4.597 4.345 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.505 5.404 6.370 1.00 0.00 N ATOM 0 H GLN A 7 10.850 4.712 3.051 1.00 0.00 H new ATOM 0 HA GLN A 7 11.650 7.165 4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.570 4.839 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.401 4.900 3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.581 6.996 3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.748 6.940 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.022 6.052 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.218 4.776 6.741 1.00 0.00 H new ATOM 111 N VAL A 8 12.876 8.525 2.483 1.00 0.00 N ATOM 112 CA VAL A 8 13.435 9.391 1.451 1.00 0.00 C ATOM 113 C VAL A 8 14.778 9.956 1.900 1.00 0.00 C ATOM 114 O VAL A 8 15.005 10.170 3.091 1.00 0.00 O ATOM 115 CB VAL A 8 12.469 10.539 1.153 1.00 0.00 C ATOM 116 CG1 VAL A 8 12.182 11.313 2.441 1.00 0.00 C ATOM 117 CG2 VAL A 8 13.098 11.480 0.123 1.00 0.00 C ATOM 0 H VAL A 8 12.792 8.959 3.402 1.00 0.00 H new ATOM 0 HA VAL A 8 13.585 8.801 0.547 1.00 0.00 H new ATOM 0 HB VAL A 8 11.537 10.135 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.494 12.131 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.734 10.644 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.113 11.717 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.410 12.298 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.030 11.883 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.303 10.930 -0.795 1.00 0.00 H new ATOM 127 N GLU A 9 15.666 10.193 0.940 1.00 0.00 N ATOM 128 CA GLU A 9 16.986 10.731 1.250 1.00 0.00 C ATOM 129 C GLU A 9 17.252 11.999 0.446 1.00 0.00 C ATOM 130 O GLU A 9 16.509 12.327 -0.479 1.00 0.00 O ATOM 131 CB GLU A 9 18.068 9.690 0.943 1.00 0.00 C ATOM 132 CG GLU A 9 17.641 8.827 -0.249 1.00 0.00 C ATOM 133 CD GLU A 9 17.293 9.712 -1.441 1.00 0.00 C ATOM 134 OE1 GLU A 9 18.103 10.559 -1.782 1.00 0.00 O ATOM 135 OE2 GLU A 9 16.221 9.531 -1.995 1.00 0.00 O ATOM 0 H GLU A 9 15.498 10.023 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 9 17.014 10.976 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.012 10.189 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.237 9.060 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.445 8.142 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.780 8.217 0.024 1.00 0.00 H new ATOM 142 N LYS A 10 18.317 12.708 0.806 1.00 0.00 N ATOM 143 CA LYS A 10 18.673 13.940 0.111 1.00 0.00 C ATOM 144 C LYS A 10 20.177 14.000 -0.135 1.00 0.00 C ATOM 145 O LYS A 10 20.924 13.126 0.306 1.00 0.00 O ATOM 146 CB LYS A 10 18.240 15.151 0.940 1.00 0.00 C ATOM 147 CG LYS A 10 18.589 14.914 2.410 1.00 0.00 C ATOM 148 CD LYS A 10 17.345 14.439 3.162 1.00 0.00 C ATOM 149 CE LYS A 10 17.762 13.507 4.301 1.00 0.00 C ATOM 150 NZ LYS A 10 16.545 12.944 4.953 1.00 0.00 N ATOM 0 H LYS A 10 18.944 12.453 1.569 1.00 0.00 H new ATOM 0 HA LYS A 10 18.158 13.956 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.738 16.050 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.168 15.315 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.381 14.170 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.968 15.833 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.799 15.294 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.672 13.919 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.387 12.701 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.360 14.053 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.828 12.310 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.965 13.719 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.992 12.410 4.253 1.00 0.00 H new ATOM 164 N ARG A 11 20.615 15.035 -0.844 1.00 0.00 N ATOM 165 CA ARG A 11 22.032 15.198 -1.145 1.00 0.00 C ATOM 166 C ARG A 11 22.456 16.653 -0.966 1.00 0.00 C ATOM 167 O ARG A 11 22.864 17.317 -1.918 1.00 0.00 O ATOM 168 CB ARG A 11 22.360 14.728 -2.579 1.00 0.00 C ATOM 169 CG ARG A 11 21.173 14.936 -3.543 1.00 0.00 C ATOM 170 CD ARG A 11 21.057 16.414 -3.926 1.00 0.00 C ATOM 171 NE ARG A 11 20.282 17.146 -2.926 1.00 0.00 N ATOM 172 CZ ARG A 11 18.948 17.109 -2.905 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.282 16.406 -3.786 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.300 17.781 -1.993 1.00 0.00 N ATOM 0 H ARG A 11 20.014 15.769 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 11 22.590 14.576 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.228 15.274 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.631 13.672 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.312 14.330 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 11 20.249 14.601 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.052 16.851 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 11 20.580 16.506 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 11 20.774 17.700 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.783 15.877 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.263 16.387 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.813 18.329 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.281 17.758 -1.970 1.00 0.00 H new ATOM 188 N LYS A 12 22.360 17.143 0.266 1.00 0.00 N ATOM 189 CA LYS A 12 22.739 18.520 0.562 1.00 0.00 C ATOM 190 C LYS A 12 24.159 18.798 0.081 1.00 0.00 C ATOM 191 O LYS A 12 24.969 17.881 -0.055 1.00 0.00 O ATOM 192 CB LYS A 12 22.647 18.773 2.068 1.00 0.00 C ATOM 193 CG LYS A 12 23.723 17.959 2.791 1.00 0.00 C ATOM 194 CD LYS A 12 23.536 18.096 4.303 1.00 0.00 C ATOM 195 CE LYS A 12 24.605 17.274 5.027 1.00 0.00 C ATOM 196 NZ LYS A 12 25.931 17.940 4.884 1.00 0.00 N ATOM 0 H LYS A 12 22.026 16.612 1.070 1.00 0.00 H new ATOM 0 HA LYS A 12 22.054 19.188 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 12 22.778 19.835 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.659 18.495 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 12 23.658 16.911 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 12 24.714 18.310 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 12 23.608 19.144 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.542 17.752 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 12 24.349 17.174 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.646 16.267 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 26.642 17.239 4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.867 18.689 4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.210 18.357 5.795 1.00 0.00 H new ATOM 210 N CYS A 13 24.457 20.069 -0.174 1.00 0.00 N ATOM 211 CA CYS A 13 25.785 20.451 -0.638 1.00 0.00 C ATOM 212 C CYS A 13 26.823 20.184 0.445 1.00 0.00 C ATOM 213 O CYS A 13 26.998 20.987 1.362 1.00 0.00 O ATOM 214 CB CYS A 13 25.802 21.935 -1.007 1.00 0.00 C ATOM 215 SG CYS A 13 25.676 22.112 -2.803 1.00 0.00 S ATOM 0 H CYS A 13 23.803 20.845 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 13 26.029 19.856 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.974 22.451 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.721 22.399 -0.649 1.00 0.00 H new ATOM 0 HG CYS A 13 25.688 23.374 -3.117 1.00 0.00 H new ATOM 220 N ASN A 14 27.512 19.054 0.334 1.00 0.00 N ATOM 221 CA ASN A 14 28.532 18.695 1.312 1.00 0.00 C ATOM 222 C ASN A 14 29.859 18.384 0.623 1.00 0.00 C ATOM 223 O ASN A 14 30.700 17.674 1.175 1.00 0.00 O ATOM 224 CB ASN A 14 28.074 17.478 2.118 1.00 0.00 C ATOM 225 CG ASN A 14 27.715 16.330 1.180 1.00 0.00 C ATOM 226 OD1 ASN A 14 28.342 16.160 0.134 1.00 0.00 O ATOM 227 ND2 ASN A 14 26.735 15.526 1.493 1.00 0.00 N ATOM 0 H ASN A 14 27.385 18.376 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 14 28.678 19.542 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 14 28.865 17.166 2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 14 27.211 17.741 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 26.488 14.756 0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 14 26.216 15.668 2.360 1.00 0.00 H new ATOM 234 N THR A 15 30.039 18.910 -0.586 1.00 0.00 N ATOM 235 CA THR A 15 31.268 18.668 -1.335 1.00 0.00 C ATOM 236 C THR A 15 31.946 19.984 -1.709 1.00 0.00 C ATOM 237 O THR A 15 31.320 21.044 -1.699 1.00 0.00 O ATOM 238 CB THR A 15 30.956 17.873 -2.605 1.00 0.00 C ATOM 239 OG1 THR A 15 32.170 17.411 -3.181 1.00 0.00 O ATOM 240 CG2 THR A 15 30.222 18.766 -3.607 1.00 0.00 C ATOM 0 H THR A 15 29.358 19.500 -1.063 1.00 0.00 H new ATOM 0 HA THR A 15 31.946 18.095 -0.702 1.00 0.00 H new ATOM 0 HB THR A 15 30.323 17.022 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 15 31.973 16.900 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 15 30.002 18.196 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.290 19.120 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.850 19.620 -3.861 1.00 0.00 H new ATOM 306 N GLN A 21 30.441 26.966 -6.572 1.00 0.00 N ATOM 307 CA GLN A 21 29.156 27.578 -6.882 1.00 0.00 C ATOM 308 C GLN A 21 28.918 28.816 -6.017 1.00 0.00 C ATOM 309 O GLN A 21 28.328 29.795 -6.474 1.00 0.00 O ATOM 310 CB GLN A 21 28.029 26.569 -6.652 1.00 0.00 C ATOM 311 CG GLN A 21 26.700 27.175 -7.105 1.00 0.00 C ATOM 312 CD GLN A 21 25.592 26.133 -7.008 1.00 0.00 C ATOM 313 OE1 GLN A 21 25.772 24.992 -7.435 1.00 0.00 O ATOM 314 NE2 GLN A 21 24.448 26.458 -6.469 1.00 0.00 N ATOM 0 HA GLN A 21 29.167 27.882 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 21 28.230 25.652 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 21 27.977 26.300 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.454 28.038 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.785 27.533 -8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.301 27.404 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.701 25.766 -6.401 1.00 0.00 H new ATOM 323 N ARG A 22 29.372 28.767 -4.767 1.00 0.00 N ATOM 324 CA ARG A 22 29.190 29.897 -3.858 1.00 0.00 C ATOM 325 C ARG A 22 29.985 31.113 -4.334 1.00 0.00 C ATOM 326 O ARG A 22 29.664 32.249 -3.986 1.00 0.00 O ATOM 327 CB ARG A 22 29.591 29.500 -2.424 1.00 0.00 C ATOM 328 CG ARG A 22 31.048 29.884 -2.116 1.00 0.00 C ATOM 329 CD ARG A 22 31.093 31.288 -1.508 1.00 0.00 C ATOM 330 NE ARG A 22 31.376 31.209 -0.078 1.00 0.00 N ATOM 331 CZ ARG A 22 32.593 30.913 0.382 1.00 0.00 C ATOM 332 NH1 ARG A 22 33.584 30.685 -0.443 1.00 0.00 N ATOM 333 NH2 ARG A 22 32.798 30.848 1.669 1.00 0.00 N ATOM 0 H ARG A 22 29.862 27.969 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 22 28.135 30.171 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.927 29.989 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.462 28.425 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.486 29.164 -1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.643 29.853 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.859 31.883 -2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 22 30.141 31.793 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 22 30.623 31.385 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.430 30.733 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.510 30.460 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.030 31.023 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 22 33.726 30.622 2.027 1.00 0.00 H new ATOM 347 N LEU A 23 31.018 30.867 -5.137 1.00 0.00 N ATOM 348 CA LEU A 23 31.840 31.954 -5.658 1.00 0.00 C ATOM 349 C LEU A 23 31.034 32.793 -6.642 1.00 0.00 C ATOM 350 O LEU A 23 31.122 34.021 -6.649 1.00 0.00 O ATOM 351 CB LEU A 23 33.080 31.389 -6.358 1.00 0.00 C ATOM 352 CG LEU A 23 33.978 32.535 -6.831 1.00 0.00 C ATOM 353 CD1 LEU A 23 34.556 33.272 -5.621 1.00 0.00 C ATOM 354 CD2 LEU A 23 35.122 31.966 -7.675 1.00 0.00 C ATOM 0 H LEU A 23 31.303 29.935 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 23 32.156 32.583 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 23 33.631 30.742 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 23 32.781 30.775 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 23 33.391 33.232 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 35.195 34.087 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 23 33.743 33.676 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 35.143 32.579 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 23 35.764 32.779 -8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 23 35.706 31.269 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 34.712 31.444 -8.539 1.00 0.00 H new ATOM 366 N ALA A 24 30.242 32.117 -7.468 1.00 0.00 N ATOM 367 CA ALA A 24 29.415 32.806 -8.452 1.00 0.00 C ATOM 368 C ALA A 24 28.446 33.755 -7.756 1.00 0.00 C ATOM 369 O ALA A 24 28.167 34.848 -8.249 1.00 0.00 O ATOM 370 CB ALA A 24 28.631 31.788 -9.283 1.00 0.00 C ATOM 0 H ALA A 24 30.155 31.101 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 24 30.065 33.382 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 24 28.016 32.312 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.327 31.127 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 27.991 31.199 -8.627 1.00 0.00 H new ATOM 376 N ASN A 25 27.940 33.330 -6.602 1.00 0.00 N ATOM 377 CA ASN A 25 27.007 34.148 -5.838 1.00 0.00 C ATOM 378 C ASN A 25 27.688 35.418 -5.336 1.00 0.00 C ATOM 379 O ASN A 25 27.029 36.425 -5.079 1.00 0.00 O ATOM 380 CB ASN A 25 26.470 33.352 -4.647 1.00 0.00 C ATOM 381 CG ASN A 25 25.406 32.366 -5.115 1.00 0.00 C ATOM 382 OD1 ASN A 25 24.960 32.429 -6.261 1.00 0.00 O ATOM 383 ND2 ASN A 25 24.968 31.453 -4.291 1.00 0.00 N ATOM 0 H ASN A 25 28.160 32.429 -6.178 1.00 0.00 H new ATOM 0 HA ASN A 25 26.182 34.428 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.285 32.816 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.048 34.031 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.255 30.790 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.339 31.402 -3.342 1.00 0.00 H new ATOM 390 N PHE A 26 29.008 35.363 -5.195 1.00 0.00 N ATOM 391 CA PHE A 26 29.761 36.518 -4.719 1.00 0.00 C ATOM 392 C PHE A 26 29.718 37.650 -5.742 1.00 0.00 C ATOM 393 O PHE A 26 29.633 38.823 -5.378 1.00 0.00 O ATOM 394 CB PHE A 26 31.216 36.125 -4.448 1.00 0.00 C ATOM 395 CG PHE A 26 31.942 37.291 -3.822 1.00 0.00 C ATOM 396 CD1 PHE A 26 31.829 37.529 -2.447 1.00 0.00 C ATOM 397 CD2 PHE A 26 32.727 38.135 -4.616 1.00 0.00 C ATOM 398 CE1 PHE A 26 32.501 38.610 -1.866 1.00 0.00 C ATOM 399 CE2 PHE A 26 33.399 39.217 -4.035 1.00 0.00 C ATOM 400 CZ PHE A 26 33.286 39.455 -2.660 1.00 0.00 C ATOM 0 H PHE A 26 29.574 34.540 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 26 29.303 36.865 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 26 31.253 35.261 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 26 31.705 35.835 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 26 31.223 36.878 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 26 32.814 37.952 -5.677 1.00 0.00 H new ATOM 0 HE1 PHE A 26 32.414 38.793 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 26 34.005 39.868 -4.648 1.00 0.00 H new ATOM 0 HZ PHE A 26 33.804 40.290 -2.212 1.00 0.00 H new ATOM 410 N LEU A 27 29.783 37.294 -7.022 1.00 0.00 N ATOM 411 CA LEU A 27 29.756 38.294 -8.084 1.00 0.00 C ATOM 412 C LEU A 27 28.451 39.085 -8.021 1.00 0.00 C ATOM 413 O LEU A 27 28.459 40.315 -8.052 1.00 0.00 O ATOM 414 CB LEU A 27 29.904 37.589 -9.449 1.00 0.00 C ATOM 415 CG LEU A 27 29.898 38.581 -10.638 1.00 0.00 C ATOM 416 CD1 LEU A 27 28.456 38.922 -11.050 1.00 0.00 C ATOM 417 CD2 LEU A 27 30.660 39.868 -10.287 1.00 0.00 C ATOM 0 H LEU A 27 29.854 36.330 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 27 30.583 38.992 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.834 37.020 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 29.091 36.874 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 27 30.402 38.099 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.472 39.620 -11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 27 27.938 38.011 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 27 27.935 39.377 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 27 30.640 40.547 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 27 30.188 40.348 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.694 39.624 -10.042 1.00 0.00 H new ATOM 429 N VAL A 28 27.334 38.374 -7.920 1.00 0.00 N ATOM 430 CA VAL A 28 26.033 39.029 -7.842 1.00 0.00 C ATOM 431 C VAL A 28 25.844 39.672 -6.470 1.00 0.00 C ATOM 432 O VAL A 28 25.183 40.703 -6.344 1.00 0.00 O ATOM 433 CB VAL A 28 24.911 38.020 -8.106 1.00 0.00 C ATOM 434 CG1 VAL A 28 25.096 37.405 -9.494 1.00 0.00 C ATOM 435 CG2 VAL A 28 24.949 36.912 -7.051 1.00 0.00 C ATOM 0 H VAL A 28 27.302 37.355 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 28 25.993 39.807 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 28 23.950 38.532 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 28 24.298 36.687 -9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 25.062 38.192 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 28 26.060 36.898 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 28 24.149 36.198 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 28 25.910 36.400 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 28 24.815 37.348 -6.061 1.00 0.00 H new ATOM 445 N HIS A 29 26.431 39.059 -5.447 1.00 0.00 N ATOM 446 CA HIS A 29 26.322 39.584 -4.091 1.00 0.00 C ATOM 447 C HIS A 29 27.161 40.851 -3.937 1.00 0.00 C ATOM 448 O HIS A 29 26.867 41.702 -3.097 1.00 0.00 O ATOM 449 CB HIS A 29 26.791 38.533 -3.083 1.00 0.00 C ATOM 450 CG HIS A 29 26.628 39.068 -1.687 1.00 0.00 C ATOM 451 ND1 HIS A 29 25.385 39.221 -1.094 1.00 0.00 N ATOM 452 CD2 HIS A 29 27.543 39.489 -0.753 1.00 0.00 C ATOM 453 CE1 HIS A 29 25.583 39.715 0.142 1.00 0.00 C ATOM 454 NE2 HIS A 29 26.881 39.896 0.401 1.00 0.00 N ATOM 0 H HIS A 29 26.983 38.205 -5.530 1.00 0.00 H new ATOM 0 HA HIS A 29 25.277 39.828 -3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 29 26.213 37.616 -3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 29 27.835 38.278 -3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 29 28.614 39.502 -0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 29 24.789 39.938 0.840 1.00 0.00 H new ATOM 0 HE2 HIS A 29 27.297 40.255 1.260 1.00 0.00 H new ATOM 463 N SER A 30 28.201 40.969 -4.760 1.00 0.00 N ATOM 464 CA SER A 30 29.069 42.142 -4.713 1.00 0.00 C ATOM 465 C SER A 30 29.048 42.890 -6.046 1.00 0.00 C ATOM 466 O SER A 30 29.950 43.672 -6.341 1.00 0.00 O ATOM 467 CB SER A 30 30.501 41.728 -4.375 1.00 0.00 C ATOM 468 OG SER A 30 31.268 42.887 -4.078 1.00 0.00 O ATOM 0 H SER A 30 28.461 40.274 -5.460 1.00 0.00 H new ATOM 0 HA SER A 30 28.695 42.808 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.504 41.048 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.944 41.190 -5.213 1.00 0.00 H new ATOM 0 HG SER A 30 31.105 43.571 -4.760 1.00 0.00 H new ATOM 474 N SER A 31 28.019 42.638 -6.852 1.00 0.00 N ATOM 475 CA SER A 31 27.900 43.287 -8.153 1.00 0.00 C ATOM 476 C SER A 31 27.775 44.800 -8.008 1.00 0.00 C ATOM 477 O SER A 31 28.408 45.555 -8.746 1.00 0.00 O ATOM 478 CB SER A 31 26.677 42.745 -8.893 1.00 0.00 C ATOM 479 OG SER A 31 26.563 43.396 -10.151 1.00 0.00 O ATOM 0 H SER A 31 27.261 41.993 -6.628 1.00 0.00 H new ATOM 0 HA SER A 31 28.804 43.069 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.771 41.668 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.777 42.911 -8.302 1.00 0.00 H new ATOM 0 HG SER A 31 25.781 43.050 -10.629 1.00 0.00 H new ATOM 485 N ASN A 32 26.951 45.241 -7.064 1.00 0.00 N ATOM 486 CA ASN A 32 26.751 46.670 -6.849 1.00 0.00 C ATOM 487 C ASN A 32 28.027 47.334 -6.344 1.00 0.00 C ATOM 488 O ASN A 32 28.390 48.425 -6.787 1.00 0.00 O ATOM 489 CB ASN A 32 25.629 46.889 -5.832 1.00 0.00 C ATOM 490 CG ASN A 32 25.868 46.028 -4.596 1.00 0.00 C ATOM 491 OD1 ASN A 32 25.869 44.800 -4.684 1.00 0.00 O ATOM 492 ND2 ASN A 32 26.071 46.602 -3.442 1.00 0.00 N ATOM 0 H ASN A 32 26.415 44.637 -6.441 1.00 0.00 H new ATOM 0 HA ASN A 32 26.480 47.121 -7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 32 25.584 47.941 -5.549 1.00 0.00 H new ATOM 0 HB3 ASN A 32 24.667 46.638 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 32 26.231 46.033 -2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 32 26.070 47.620 -3.371 1.00 0.00 H new ATOM 499 N ASN A 33 28.704 46.672 -5.413 1.00 0.00 N ATOM 500 CA ASN A 33 29.935 47.219 -4.858 1.00 0.00 C ATOM 501 C ASN A 33 31.051 47.164 -5.896 1.00 0.00 C ATOM 502 O ASN A 33 31.937 48.018 -5.917 1.00 0.00 O ATOM 503 CB ASN A 33 30.346 46.441 -3.607 1.00 0.00 C ATOM 504 CG ASN A 33 29.359 46.711 -2.477 1.00 0.00 C ATOM 505 OD1 ASN A 33 28.718 45.786 -1.976 1.00 0.00 O ATOM 506 ND2 ASN A 33 29.197 47.931 -2.042 1.00 0.00 N ATOM 0 H ASN A 33 28.426 45.768 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 33 29.759 48.259 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 33 30.377 45.374 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 33 31.351 46.733 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 33 28.539 48.120 -1.286 1.00 0.00 H new ATOM 0 HD22 ASN A 33 29.729 48.696 -2.458 1.00 0.00 H new ATOM 513 N PHE A 34 30.998 46.148 -6.749 1.00 0.00 N ATOM 514 CA PHE A 34 32.006 45.975 -7.790 1.00 0.00 C ATOM 515 C PHE A 34 32.227 47.283 -8.542 1.00 0.00 C ATOM 516 O PHE A 34 33.364 47.699 -8.765 1.00 0.00 O ATOM 517 CB PHE A 34 31.559 44.890 -8.772 1.00 0.00 C ATOM 518 CG PHE A 34 32.620 44.699 -9.830 1.00 0.00 C ATOM 519 CD1 PHE A 34 33.824 44.063 -9.506 1.00 0.00 C ATOM 520 CD2 PHE A 34 32.398 45.157 -11.134 1.00 0.00 C ATOM 521 CE1 PHE A 34 34.807 43.885 -10.487 1.00 0.00 C ATOM 522 CE2 PHE A 34 33.382 44.979 -12.115 1.00 0.00 C ATOM 523 CZ PHE A 34 34.586 44.343 -11.791 1.00 0.00 C ATOM 0 H PHE A 34 30.271 45.433 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 34 32.942 45.676 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.387 43.953 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 34 30.614 45.172 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 34 33.995 43.710 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.469 45.647 -11.384 1.00 0.00 H new ATOM 0 HE1 PHE A 34 35.736 43.394 -10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 34 33.212 45.332 -13.121 1.00 0.00 H new ATOM 0 HZ PHE A 34 35.345 44.206 -12.547 1.00 0.00 H new ATOM 533 N GLY A 35 31.130 47.927 -8.927 1.00 0.00 N ATOM 534 CA GLY A 35 31.209 49.190 -9.652 1.00 0.00 C ATOM 535 C GLY A 35 31.862 50.274 -8.801 1.00 0.00 C ATOM 536 O GLY A 35 32.740 50.997 -9.272 1.00 0.00 O ATOM 0 H GLY A 35 30.181 47.598 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 35 31.781 49.051 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 30.208 49.507 -9.945 1.00 0.00 H new ATOM 540 N ALA A 36 31.424 50.394 -7.552 1.00 0.00 N ATOM 541 CA ALA A 36 31.973 51.411 -6.660 1.00 0.00 C ATOM 542 C ALA A 36 33.469 51.197 -6.443 1.00 0.00 C ATOM 543 O ALA A 36 34.225 52.157 -6.294 1.00 0.00 O ATOM 544 CB ALA A 36 31.245 51.382 -5.315 1.00 0.00 C ATOM 0 H ALA A 36 30.699 49.808 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 36 31.827 52.385 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.663 52.145 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.184 51.579 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 31.368 50.401 -4.856 1.00 0.00 H new ATOM 550 N ILE A 37 33.892 49.938 -6.428 1.00 0.00 N ATOM 551 CA ILE A 37 35.304 49.623 -6.230 1.00 0.00 C ATOM 552 C ILE A 37 36.146 50.243 -7.339 1.00 0.00 C ATOM 553 O ILE A 37 37.243 50.748 -7.098 1.00 0.00 O ATOM 554 CB ILE A 37 35.508 48.107 -6.217 1.00 0.00 C ATOM 555 CG1 ILE A 37 34.982 47.532 -4.897 1.00 0.00 C ATOM 556 CG2 ILE A 37 37.000 47.792 -6.349 1.00 0.00 C ATOM 557 CD1 ILE A 37 34.916 46.005 -4.985 1.00 0.00 C ATOM 0 H ILE A 37 33.286 49.126 -6.549 1.00 0.00 H new ATOM 0 HA ILE A 37 35.619 50.036 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 37 34.966 47.661 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 37 35.633 47.830 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 33.993 47.936 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 37 37.146 46.712 -6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 37 37.377 48.201 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 37 37.541 48.238 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 37 34.541 45.602 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 34.247 45.716 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 35.913 45.608 -5.178 1.00 0.00 H new ATOM 569 N LEU A 38 35.617 50.197 -8.557 1.00 0.00 N ATOM 570 CA LEU A 38 36.313 50.751 -9.713 1.00 0.00 C ATOM 571 C LEU A 38 36.598 52.235 -9.507 1.00 0.00 C ATOM 572 O LEU A 38 37.631 52.743 -9.941 1.00 0.00 O ATOM 573 CB LEU A 38 35.460 50.558 -10.972 1.00 0.00 C ATOM 574 CG LEU A 38 36.195 51.113 -12.196 1.00 0.00 C ATOM 575 CD1 LEU A 38 37.469 50.302 -12.444 1.00 0.00 C ATOM 576 CD2 LEU A 38 35.283 51.012 -13.421 1.00 0.00 C ATOM 0 H LEU A 38 34.710 49.782 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 38 37.262 50.227 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.245 49.499 -11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.502 51.064 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 38 36.460 52.155 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 38 37.989 50.699 -13.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.119 50.369 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.207 49.259 -12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.802 51.406 -14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 38 35.021 49.968 -13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.375 51.590 -13.247 1.00 0.00 H new ATOM 588 N SER A 39 35.678 52.925 -8.843 1.00 0.00 N ATOM 589 CA SER A 39 35.846 54.350 -8.586 1.00 0.00 C ATOM 590 C SER A 39 37.095 54.599 -7.746 1.00 0.00 C ATOM 591 O SER A 39 37.835 55.553 -7.985 1.00 0.00 O ATOM 592 CB SER A 39 34.620 54.897 -7.855 1.00 0.00 C ATOM 593 OG SER A 39 34.802 56.285 -7.607 1.00 0.00 O ATOM 0 H SER A 39 34.815 52.525 -8.475 1.00 0.00 H new ATOM 0 HA SER A 39 35.957 54.862 -9.542 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.724 54.737 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.474 54.364 -6.915 1.00 0.00 H new ATOM 0 HG SER A 39 34.017 56.640 -7.140 1.00 0.00 H new ATOM 599 N SER A 40 37.321 53.735 -6.762 1.00 0.00 N ATOM 600 CA SER A 40 38.484 53.871 -5.891 1.00 0.00 C ATOM 601 C SER A 40 39.656 53.056 -6.429 1.00 0.00 C ATOM 602 O SER A 40 40.536 52.643 -5.674 1.00 0.00 O ATOM 603 CB SER A 40 38.136 53.398 -4.480 1.00 0.00 C ATOM 604 OG SER A 40 37.080 54.197 -3.964 1.00 0.00 O ATOM 0 H SER A 40 36.720 52.939 -6.548 1.00 0.00 H new ATOM 0 HA SER A 40 38.772 54.922 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 40 37.839 52.350 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 40 39.011 53.470 -3.834 1.00 0.00 H new ATOM 0 HG SER A 40 36.853 53.895 -3.060 1.00 0.00 H new ATOM 610 N THR A 41 39.662 52.828 -7.738 1.00 0.00 N ATOM 611 CA THR A 41 40.732 52.060 -8.366 1.00 0.00 C ATOM 612 C THR A 41 42.088 52.724 -8.135 1.00 0.00 C ATOM 613 O THR A 41 43.129 52.076 -8.241 1.00 0.00 O ATOM 614 CB THR A 41 40.473 51.940 -9.869 1.00 0.00 C ATOM 615 OG1 THR A 41 41.527 51.200 -10.471 1.00 0.00 O ATOM 616 CG2 THR A 41 40.407 53.336 -10.491 1.00 0.00 C ATOM 0 H THR A 41 38.944 53.161 -8.381 1.00 0.00 H new ATOM 0 HA THR A 41 40.749 51.068 -7.915 1.00 0.00 H new ATOM 0 HB THR A 41 39.526 51.426 -10.035 1.00 0.00 H new ATOM 0 HG1 THR A 41 41.651 51.500 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 41 40.222 53.249 -11.562 1.00 0.00 H new ATOM 0 HG22 THR A 41 39.599 53.903 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 41 41.353 53.853 -10.327 1.00 0.00 H new ATOM 624 N ASN A 42 42.072 54.017 -7.823 1.00 0.00 N ATOM 625 CA ASN A 42 43.311 54.750 -7.586 1.00 0.00 C ATOM 626 C ASN A 42 43.732 54.659 -6.120 1.00 0.00 C ATOM 627 O ASN A 42 44.541 55.460 -5.650 1.00 0.00 O ATOM 628 CB ASN A 42 43.130 56.218 -7.976 1.00 0.00 C ATOM 629 CG ASN A 42 42.144 56.892 -7.028 1.00 0.00 C ATOM 630 OD1 ASN A 42 41.477 56.218 -6.243 1.00 0.00 O ATOM 631 ND2 ASN A 42 42.011 58.190 -7.054 1.00 0.00 N ATOM 0 H ASN A 42 41.223 54.574 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 42 44.093 54.301 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 42 44.090 56.733 -7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 42 42.767 56.288 -9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 42 41.353 58.648 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 42 42.565 58.746 -7.705 1.00 0.00 H new ATOM 638 N VAL A 43 43.186 53.682 -5.401 1.00 0.00 N ATOM 639 CA VAL A 43 43.524 53.505 -3.992 1.00 0.00 C ATOM 640 C VAL A 43 44.760 52.614 -3.836 1.00 0.00 C ATOM 641 O VAL A 43 45.035 52.104 -2.751 1.00 0.00 O ATOM 642 CB VAL A 43 42.332 52.887 -3.251 1.00 0.00 C ATOM 643 CG1 VAL A 43 42.325 51.367 -3.448 1.00 0.00 C ATOM 644 CG2 VAL A 43 42.429 53.214 -1.756 1.00 0.00 C ATOM 0 H VAL A 43 42.514 53.007 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 43 43.752 54.481 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 43 41.408 53.302 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 43 41.475 50.935 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 43 42.245 51.138 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 43.250 50.945 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 41.581 52.774 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 43 43.356 52.806 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.419 54.295 -1.619 1.00 0.00 H new ATOM 654 N GLY A 44 45.507 52.434 -4.924 1.00 0.00 N ATOM 655 CA GLY A 44 46.707 51.606 -4.881 1.00 0.00 C ATOM 656 C GLY A 44 46.513 50.309 -5.663 1.00 0.00 C ATOM 657 O GLY A 44 47.483 49.641 -6.020 1.00 0.00 O ATOM 0 H GLY A 44 45.305 52.846 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 47.549 52.160 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 44 46.955 51.375 -3.845 1.00 0.00 H new ATOM 661 N SER A 45 45.257 49.955 -5.926 1.00 0.00 N ATOM 662 CA SER A 45 44.959 48.734 -6.666 1.00 0.00 C ATOM 663 C SER A 45 44.790 49.034 -8.152 1.00 0.00 C ATOM 664 O SER A 45 44.099 48.309 -8.866 1.00 0.00 O ATOM 665 CB SER A 45 43.680 48.095 -6.124 1.00 0.00 C ATOM 666 OG SER A 45 42.596 48.998 -6.294 1.00 0.00 O ATOM 0 H SER A 45 44.438 50.491 -5.640 1.00 0.00 H new ATOM 0 HA SER A 45 45.793 48.043 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 45 43.476 47.161 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 45 43.801 47.849 -5.069 1.00 0.00 H new ATOM 0 HG SER A 45 41.774 48.591 -5.949 1.00 0.00 H new ATOM 672 N ASN A 46 45.426 50.108 -8.611 1.00 0.00 N ATOM 673 CA ASN A 46 45.337 50.495 -10.015 1.00 0.00 C ATOM 674 C ASN A 46 46.299 49.676 -10.879 1.00 0.00 C ATOM 675 O ASN A 46 46.390 49.893 -12.087 1.00 0.00 O ATOM 676 CB ASN A 46 45.661 51.982 -10.164 1.00 0.00 C ATOM 677 CG ASN A 46 47.118 52.238 -9.791 1.00 0.00 C ATOM 678 OD1 ASN A 46 47.569 51.820 -8.725 1.00 0.00 O ATOM 679 ND2 ASN A 46 47.884 52.905 -10.610 1.00 0.00 N ATOM 0 H ASN A 46 46.004 50.721 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 46 44.319 50.301 -10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 46 45.478 52.302 -11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.004 52.572 -9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 46 48.859 53.081 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.508 53.250 -11.493 1.00 0.00 H new ATOM 686 N THR A 47 47.015 48.736 -10.263 1.00 0.00 N ATOM 687 CA THR A 47 47.957 47.905 -11.003 1.00 0.00 C ATOM 688 C THR A 47 47.287 46.615 -11.464 1.00 0.00 C ATOM 689 O THR A 47 47.944 45.587 -11.630 1.00 0.00 O ATOM 690 CB THR A 47 49.163 47.571 -10.122 1.00 0.00 C ATOM 691 OG1 THR A 47 49.479 48.694 -9.311 1.00 0.00 O ATOM 692 CG2 THR A 47 50.362 47.223 -11.005 1.00 0.00 C ATOM 0 H THR A 47 46.961 48.534 -9.265 1.00 0.00 H new ATOM 0 HA THR A 47 48.291 48.460 -11.880 1.00 0.00 H new ATOM 0 HB THR A 47 48.924 46.718 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 47 50.250 48.482 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 47 51.220 46.985 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 47 50.118 46.362 -11.627 1.00 0.00 H new ATOM 0 HG23 THR A 47 50.604 48.074 -11.642 1.00 0.00 H new ATOM 700 N TYR A 48 45.975 46.677 -11.668 1.00 0.00 N ATOM 701 CA TYR A 48 45.224 45.506 -12.110 1.00 0.00 C ATOM 702 C TYR A 48 44.776 45.661 -13.562 1.00 0.00 C ATOM 703 O TYR A 48 43.860 44.974 -14.013 1.00 0.00 O ATOM 704 CB TYR A 48 43.998 45.308 -11.214 1.00 0.00 C ATOM 705 CG TYR A 48 42.885 46.226 -11.664 1.00 0.00 C ATOM 706 CD1 TYR A 48 41.746 45.695 -12.281 1.00 0.00 C ATOM 707 CD2 TYR A 48 42.993 47.608 -11.465 1.00 0.00 C ATOM 708 CE1 TYR A 48 40.715 46.546 -12.698 1.00 0.00 C ATOM 709 CE2 TYR A 48 41.962 48.458 -11.882 1.00 0.00 C ATOM 710 CZ TYR A 48 40.823 47.927 -12.499 1.00 0.00 C ATOM 711 OH TYR A 48 39.808 48.766 -12.911 1.00 0.00 O ATOM 0 H TYR A 48 45.413 47.518 -11.536 1.00 0.00 H new ATOM 0 HA TYR A 48 45.876 44.635 -12.039 1.00 0.00 H new ATOM 0 HB2 TYR A 48 43.667 44.270 -11.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 44.257 45.516 -10.176 1.00 0.00 H new ATOM 0 HD1 TYR A 48 41.662 44.629 -12.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 43.872 48.018 -10.990 1.00 0.00 H new ATOM 0 HE1 TYR A 48 39.836 46.136 -13.173 1.00 0.00 H new ATOM 0 HE2 TYR A 48 42.045 49.524 -11.728 1.00 0.00 H new ATOM 0 HH TYR A 48 39.092 48.237 -13.321 1.00 0.00 H new ATOM 721 N GLY A 49 45.427 46.563 -14.293 1.00 0.00 N ATOM 722 CA GLY A 49 45.078 46.789 -15.691 1.00 0.00 C ATOM 723 C GLY A 49 45.011 45.472 -16.456 1.00 0.00 C ATOM 724 O GLY A 49 46.038 44.898 -16.817 1.00 0.00 O ATOM 0 H GLY A 49 46.190 47.143 -13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.116 47.299 -15.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 45.816 47.445 -16.153 1.00 0.00 H new ATOM 728 N LYS A 50 43.793 44.999 -16.700 1.00 0.00 N ATOM 729 CA LYS A 50 43.599 43.749 -17.425 1.00 0.00 C ATOM 730 C LYS A 50 43.977 43.917 -18.893 1.00 0.00 C ATOM 731 O LYS A 50 44.482 42.989 -19.524 1.00 0.00 O ATOM 732 CB LYS A 50 42.139 43.304 -17.319 1.00 0.00 C ATOM 733 CG LYS A 50 41.838 42.888 -15.877 1.00 0.00 C ATOM 734 CD LYS A 50 40.451 42.244 -15.808 1.00 0.00 C ATOM 735 CE LYS A 50 39.378 43.311 -16.029 1.00 0.00 C ATOM 736 NZ LYS A 50 39.493 44.357 -14.974 1.00 0.00 N ATOM 0 H LYS A 50 42.931 45.459 -16.408 1.00 0.00 H new ATOM 0 HA LYS A 50 44.242 42.990 -16.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 41.477 44.116 -17.621 1.00 0.00 H new ATOM 0 HB3 LYS A 50 41.951 42.471 -17.996 1.00 0.00 H new ATOM 0 HG2 LYS A 50 42.594 42.186 -15.525 1.00 0.00 H new ATOM 0 HG3 LYS A 50 41.880 43.757 -15.221 1.00 0.00 H new ATOM 0 HD2 LYS A 50 40.363 41.464 -16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 40.309 41.766 -14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 50 39.494 43.760 -17.015 1.00 0.00 H new ATOM 0 HE3 LYS A 50 38.387 42.857 -16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 38.543 44.633 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 40.033 43.980 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 39.983 45.188 -15.361 1.00 0.00 H new ATOM 750 N ARG A 51 43.725 45.106 -19.430 1.00 0.00 N ATOM 751 CA ARG A 51 44.038 45.386 -20.828 1.00 0.00 C ATOM 752 C ARG A 51 45.496 45.057 -21.135 1.00 0.00 C ATOM 753 O ARG A 51 45.857 44.818 -22.288 1.00 0.00 O ATOM 754 CB ARG A 51 43.767 46.860 -21.140 1.00 0.00 C ATOM 755 CG ARG A 51 44.801 47.738 -20.432 1.00 0.00 C ATOM 756 CD ARG A 51 44.433 49.211 -20.619 1.00 0.00 C ATOM 757 NE ARG A 51 45.442 50.067 -20.002 1.00 0.00 N ATOM 758 CZ ARG A 51 45.457 50.302 -18.688 1.00 0.00 C ATOM 759 NH1 ARG A 51 44.561 49.764 -17.899 1.00 0.00 N ATOM 760 NH2 ARG A 51 46.376 51.079 -18.183 1.00 0.00 N ATOM 0 H ARG A 51 43.308 45.887 -18.923 1.00 0.00 H new ATOM 0 HA ARG A 51 43.401 44.759 -21.452 1.00 0.00 H new ATOM 0 HB2 ARG A 51 43.810 47.027 -22.216 1.00 0.00 H new ATOM 0 HB3 ARG A 51 42.763 47.131 -20.815 1.00 0.00 H new ATOM 0 HG2 ARG A 51 44.836 47.493 -19.371 1.00 0.00 H new ATOM 0 HG3 ARG A 51 45.795 47.546 -20.837 1.00 0.00 H new ATOM 0 HD2 ARG A 51 44.352 49.441 -21.681 1.00 0.00 H new ATOM 0 HD3 ARG A 51 43.457 49.409 -20.175 1.00 0.00 H new ATOM 0 HE ARG A 51 46.155 50.497 -20.591 1.00 0.00 H new ATOM 0 HH11 ARG A 51 43.839 49.156 -18.287 1.00 0.00 H new ATOM 0 HH12 ARG A 51 44.585 49.953 -16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 51 47.077 51.502 -18.791 1.00 0.00 H new ATOM 0 HH22 ARG A 51 46.393 51.263 -17.180 1.00 0.00 H new ATOM 774 N ASN A 52 46.332 45.046 -20.102 1.00 0.00 N ATOM 775 CA ASN A 52 47.748 44.745 -20.281 1.00 0.00 C ATOM 776 C ASN A 52 47.928 43.434 -21.041 1.00 0.00 C ATOM 777 O ASN A 52 48.949 43.219 -21.695 1.00 0.00 O ATOM 778 CB ASN A 52 48.437 44.646 -18.919 1.00 0.00 C ATOM 779 CG ASN A 52 49.863 45.176 -19.015 1.00 0.00 C ATOM 780 OD1 ASN A 52 50.368 45.780 -18.069 1.00 0.00 O ATOM 781 ND2 ASN A 52 50.548 44.985 -20.110 1.00 0.00 N ATOM 0 H ASN A 52 46.057 45.240 -19.139 1.00 0.00 H new ATOM 0 HA ASN A 52 48.200 45.551 -20.860 1.00 0.00 H new ATOM 0 HB2 ASN A 52 47.878 45.216 -18.177 1.00 0.00 H new ATOM 0 HB3 ASN A 52 48.448 43.609 -18.582 1.00 0.00 H new ATOM 0 HD21 ASN A 52 51.503 45.336 -20.182 1.00 0.00 H new ATOM 0 HD22 ASN A 52 50.128 44.484 -20.893 1.00 0.00 H new ATOM 788 N ALA A 53 46.929 42.562 -20.951 1.00 0.00 N ATOM 789 CA ALA A 53 46.983 41.275 -21.635 1.00 0.00 C ATOM 790 C ALA A 53 46.972 41.466 -23.148 1.00 0.00 C ATOM 791 O ALA A 53 47.692 40.781 -23.874 1.00 0.00 O ATOM 792 CB ALA A 53 45.790 40.414 -21.219 1.00 0.00 C ATOM 0 H ALA A 53 46.077 42.722 -20.414 1.00 0.00 H new ATOM 0 HA ALA A 53 47.910 40.775 -21.353 1.00 0.00 H new ATOM 0 HB1 ALA A 53 45.837 39.454 -21.734 1.00 0.00 H new ATOM 0 HB2 ALA A 53 45.818 40.250 -20.142 1.00 0.00 H new ATOM 0 HB3 ALA A 53 44.864 40.923 -21.484 1.00 0.00 H new ATOM 798 N VAL A 54 46.148 42.395 -23.620 1.00 0.00 N ATOM 799 CA VAL A 54 46.052 42.658 -25.051 1.00 0.00 C ATOM 800 C VAL A 54 47.283 43.411 -25.549 1.00 0.00 C ATOM 801 O VAL A 54 47.616 43.357 -26.733 1.00 0.00 O ATOM 802 CB VAL A 54 44.792 43.477 -25.347 1.00 0.00 C ATOM 803 CG1 VAL A 54 45.140 44.968 -25.398 1.00 0.00 C ATOM 804 CG2 VAL A 54 44.209 43.041 -26.694 1.00 0.00 C ATOM 0 H VAL A 54 45.542 42.974 -23.039 1.00 0.00 H new ATOM 0 HA VAL A 54 45.996 41.702 -25.572 1.00 0.00 H new ATOM 0 HB VAL A 54 44.059 43.308 -24.558 1.00 0.00 H new ATOM 0 HG11 VAL A 54 44.239 45.545 -25.609 1.00 0.00 H new ATOM 0 HG12 VAL A 54 45.553 45.278 -24.438 1.00 0.00 H new ATOM 0 HG13 VAL A 54 45.875 45.143 -26.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 43.312 43.622 -26.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 44.945 43.208 -27.480 1.00 0.00 H new ATOM 0 HG23 VAL A 54 43.954 41.982 -26.655 1.00 0.00 H new ATOM 814 N GLU A 55 47.952 44.117 -24.642 1.00 0.00 N ATOM 815 CA GLU A 55 49.139 44.880 -25.013 1.00 0.00 C ATOM 816 C GLU A 55 50.319 43.949 -25.279 1.00 0.00 C ATOM 817 O GLU A 55 50.904 43.968 -26.362 1.00 0.00 O ATOM 818 CB GLU A 55 49.501 45.860 -23.896 1.00 0.00 C ATOM 819 CG GLU A 55 50.448 46.931 -24.441 1.00 0.00 C ATOM 820 CD GLU A 55 51.863 46.372 -24.553 1.00 0.00 C ATOM 821 OE1 GLU A 55 52.180 45.461 -23.806 1.00 0.00 O ATOM 822 OE2 GLU A 55 52.609 46.864 -25.384 1.00 0.00 O ATOM 0 H GLU A 55 47.696 44.177 -23.656 1.00 0.00 H new ATOM 0 HA GLU A 55 48.918 45.434 -25.925 1.00 0.00 H new ATOM 0 HB2 GLU A 55 48.598 46.325 -23.500 1.00 0.00 H new ATOM 0 HB3 GLU A 55 49.974 45.328 -23.070 1.00 0.00 H new ATOM 0 HG2 GLU A 55 50.104 47.269 -25.419 1.00 0.00 H new ATOM 0 HG3 GLU A 55 50.443 47.800 -23.784 1.00 0.00 H new ATOM 829 N VAL A 56 50.666 43.140 -24.283 1.00 0.00 N ATOM 830 CA VAL A 56 51.781 42.210 -24.423 1.00 0.00 C ATOM 831 C VAL A 56 51.652 41.405 -25.712 1.00 0.00 C ATOM 832 O VAL A 56 52.653 41.029 -26.321 1.00 0.00 O ATOM 833 CB VAL A 56 51.834 41.263 -23.221 1.00 0.00 C ATOM 834 CG1 VAL A 56 50.493 40.544 -23.071 1.00 0.00 C ATOM 835 CG2 VAL A 56 52.943 40.231 -23.437 1.00 0.00 C ATOM 0 H VAL A 56 50.196 43.109 -23.378 1.00 0.00 H new ATOM 0 HA VAL A 56 52.705 42.787 -24.464 1.00 0.00 H new ATOM 0 HB VAL A 56 52.038 41.837 -22.317 1.00 0.00 H new ATOM 0 HG11 VAL A 56 50.535 39.871 -22.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 49.702 41.278 -22.918 1.00 0.00 H new ATOM 0 HG13 VAL A 56 50.285 39.970 -23.974 1.00 0.00 H new ATOM 0 HG21 VAL A 56 52.983 39.555 -22.582 1.00 0.00 H new ATOM 0 HG22 VAL A 56 52.737 39.660 -24.342 1.00 0.00 H new ATOM 0 HG23 VAL A 56 53.900 40.742 -23.541 1.00 0.00 H new ATOM 845 N LEU A 57 50.416 41.148 -26.128 1.00 0.00 N ATOM 846 CA LEU A 57 50.179 40.391 -27.352 1.00 0.00 C ATOM 847 C LEU A 57 50.617 41.202 -28.568 1.00 0.00 C ATOM 848 O LEU A 57 51.229 40.670 -29.494 1.00 0.00 O ATOM 849 CB LEU A 57 48.696 40.037 -27.475 1.00 0.00 C ATOM 850 CG LEU A 57 48.494 38.557 -27.143 1.00 0.00 C ATOM 851 CD1 LEU A 57 48.998 38.275 -25.726 1.00 0.00 C ATOM 852 CD2 LEU A 57 47.005 38.216 -27.233 1.00 0.00 C ATOM 0 H LEU A 57 49.571 41.449 -25.642 1.00 0.00 H new ATOM 0 HA LEU A 57 50.763 39.471 -27.309 1.00 0.00 H new ATOM 0 HB2 LEU A 57 48.106 40.656 -26.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 48.344 40.245 -28.486 1.00 0.00 H new ATOM 0 HG LEU A 57 49.052 37.946 -27.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 48.853 37.220 -25.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 50.058 38.519 -25.662 1.00 0.00 H new ATOM 0 HD13 LEU A 57 48.442 38.885 -25.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 46.858 37.162 -26.997 1.00 0.00 H new ATOM 0 HD22 LEU A 57 46.448 38.828 -26.523 1.00 0.00 H new ATOM 0 HD23 LEU A 57 46.647 38.415 -28.243 1.00 0.00 H new ATOM 864 N LYS A 58 50.306 42.493 -28.552 1.00 0.00 N ATOM 865 CA LYS A 58 50.679 43.375 -29.653 1.00 0.00 C ATOM 866 C LYS A 58 52.195 43.533 -29.722 1.00 0.00 C ATOM 867 O LYS A 58 52.785 43.467 -30.800 1.00 0.00 O ATOM 868 CB LYS A 58 50.033 44.749 -29.462 1.00 0.00 C ATOM 869 CG LYS A 58 48.524 44.645 -29.700 1.00 0.00 C ATOM 870 CD LYS A 58 48.249 44.525 -31.200 1.00 0.00 C ATOM 871 CE LYS A 58 46.749 44.687 -31.459 1.00 0.00 C ATOM 872 NZ LYS A 58 46.013 43.548 -30.842 1.00 0.00 N ATOM 0 H LYS A 58 49.800 42.951 -27.794 1.00 0.00 H new ATOM 0 HA LYS A 58 50.326 42.932 -30.584 1.00 0.00 H new ATOM 0 HB2 LYS A 58 50.228 45.117 -28.455 1.00 0.00 H new ATOM 0 HB3 LYS A 58 50.472 45.468 -30.154 1.00 0.00 H new ATOM 0 HG2 LYS A 58 48.122 43.778 -29.176 1.00 0.00 H new ATOM 0 HG3 LYS A 58 48.020 45.524 -29.297 1.00 0.00 H new ATOM 0 HD2 LYS A 58 48.807 45.286 -31.745 1.00 0.00 H new ATOM 0 HD3 LYS A 58 48.590 43.557 -31.567 1.00 0.00 H new ATOM 0 HE2 LYS A 58 46.397 45.630 -31.042 1.00 0.00 H new ATOM 0 HE3 LYS A 58 46.556 44.721 -32.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 45.022 43.563 -31.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 46.455 42.652 -31.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.048 43.633 -29.806 1.00 0.00 H new ATOM 886 N ARG A 59 52.818 43.745 -28.568 1.00 0.00 N ATOM 887 CA ARG A 59 54.266 43.914 -28.511 1.00 0.00 C ATOM 888 C ARG A 59 54.978 42.625 -28.909 1.00 0.00 C ATOM 889 O ARG A 59 56.095 42.658 -29.425 1.00 0.00 O ATOM 890 CB ARG A 59 54.689 44.318 -27.097 1.00 0.00 C ATOM 891 CG ARG A 59 56.139 44.806 -27.119 1.00 0.00 C ATOM 892 CD ARG A 59 57.061 43.694 -26.614 1.00 0.00 C ATOM 893 NE ARG A 59 58.452 44.134 -26.653 1.00 0.00 N ATOM 894 CZ ARG A 59 59.431 43.416 -26.100 1.00 0.00 C ATOM 895 NH1 ARG A 59 59.174 42.283 -25.497 1.00 0.00 N ATOM 896 NH2 ARG A 59 60.661 43.849 -26.160 1.00 0.00 N ATOM 0 H ARG A 59 52.347 43.804 -27.665 1.00 0.00 H new ATOM 0 HA ARG A 59 54.547 44.699 -29.214 1.00 0.00 H new ATOM 0 HB2 ARG A 59 54.035 45.105 -26.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 54.590 43.470 -26.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 56.421 45.095 -28.132 1.00 0.00 H new ATOM 0 HG3 ARG A 59 56.245 45.692 -26.494 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.787 43.420 -25.595 1.00 0.00 H new ATOM 0 HD3 ARG A 59 56.937 42.802 -27.228 1.00 0.00 H new ATOM 0 HE ARG A 59 58.682 45.014 -27.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 58.215 41.939 -25.446 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.932 41.744 -25.079 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.869 44.731 -26.628 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.414 43.305 -25.739 1.00 0.00 H new ATOM 910 N GLU A 60 54.328 41.490 -28.664 1.00 0.00 N ATOM 911 CA GLU A 60 54.917 40.199 -29.000 1.00 0.00 C ATOM 912 C GLU A 60 54.062 39.468 -30.031 1.00 0.00 C ATOM 913 O GLU A 60 53.380 38.495 -29.709 1.00 0.00 O ATOM 914 CB GLU A 60 55.045 39.341 -27.741 1.00 0.00 C ATOM 915 CG GLU A 60 55.821 38.064 -28.070 1.00 0.00 C ATOM 916 CD GLU A 60 56.011 37.229 -26.808 1.00 0.00 C ATOM 917 OE1 GLU A 60 55.559 37.662 -25.761 1.00 0.00 O ATOM 918 OE2 GLU A 60 56.606 36.168 -26.908 1.00 0.00 O ATOM 0 H GLU A 60 53.403 41.439 -28.238 1.00 0.00 H new ATOM 0 HA GLU A 60 55.906 40.373 -29.425 1.00 0.00 H new ATOM 0 HB2 GLU A 60 55.558 39.899 -26.958 1.00 0.00 H new ATOM 0 HB3 GLU A 60 54.056 39.090 -27.357 1.00 0.00 H new ATOM 0 HG2 GLU A 60 55.283 37.485 -28.821 1.00 0.00 H new ATOM 0 HG3 GLU A 60 56.791 38.318 -28.497 1.00 0.00 H new ATOM 925 N PRO A 61 54.095 39.916 -31.257 1.00 0.00 N ATOM 926 CA PRO A 61 53.314 39.294 -32.366 1.00 0.00 C ATOM 927 C PRO A 61 53.862 37.923 -32.768 1.00 0.00 C ATOM 928 O PRO A 61 53.276 37.234 -33.603 1.00 0.00 O ATOM 929 CB PRO A 61 53.453 40.295 -33.515 1.00 0.00 C ATOM 930 CG PRO A 61 54.715 41.043 -33.238 1.00 0.00 C ATOM 931 CD PRO A 61 54.882 41.070 -31.720 1.00 0.00 C ATOM 0 HA PRO A 61 52.279 39.108 -32.078 1.00 0.00 H new ATOM 0 HB2 PRO A 61 53.502 39.785 -34.477 1.00 0.00 H new ATOM 0 HB3 PRO A 61 52.597 40.969 -33.555 1.00 0.00 H new ATOM 0 HG2 PRO A 61 55.566 40.556 -33.713 1.00 0.00 H new ATOM 0 HG3 PRO A 61 54.662 42.055 -33.640 1.00 0.00 H new ATOM 0 HD2 PRO A 61 55.929 40.981 -31.432 1.00 0.00 H new ATOM 0 HD3 PRO A 61 54.512 42.003 -31.294 1.00 0.00 H new ATOM 939 N LEU A 62 54.986 37.532 -32.172 1.00 0.00 N ATOM 940 CA LEU A 62 55.594 36.245 -32.482 1.00 0.00 C ATOM 941 C LEU A 62 54.613 35.114 -32.193 1.00 0.00 C ATOM 942 O LEU A 62 54.492 34.169 -32.972 1.00 0.00 O ATOM 943 CB LEU A 62 56.864 36.059 -31.644 1.00 0.00 C ATOM 944 CG LEU A 62 57.500 34.698 -31.947 1.00 0.00 C ATOM 945 CD1 LEU A 62 57.934 34.644 -33.413 1.00 0.00 C ATOM 946 CD2 LEU A 62 58.724 34.501 -31.049 1.00 0.00 C ATOM 0 H LEU A 62 55.489 38.084 -31.478 1.00 0.00 H new ATOM 0 HA LEU A 62 55.853 36.222 -33.541 1.00 0.00 H new ATOM 0 HB2 LEU A 62 57.573 36.857 -31.862 1.00 0.00 H new ATOM 0 HB3 LEU A 62 56.623 36.128 -30.583 1.00 0.00 H new ATOM 0 HG LEU A 62 56.772 33.909 -31.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.386 33.674 -33.623 1.00 0.00 H new ATOM 0 HD12 LEU A 62 57.065 34.787 -34.055 1.00 0.00 H new ATOM 0 HD13 LEU A 62 58.661 35.433 -33.606 1.00 0.00 H new ATOM 0 HD21 LEU A 62 59.179 33.534 -31.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 59.448 35.293 -31.242 1.00 0.00 H new ATOM 0 HD23 LEU A 62 58.418 34.536 -30.004 1.00 0.00 H new ATOM 958 N ASN A 63 53.918 35.218 -31.065 1.00 0.00 N ATOM 959 CA ASN A 63 52.950 34.199 -30.677 1.00 0.00 C ATOM 960 C ASN A 63 51.814 34.116 -31.693 1.00 0.00 C ATOM 961 O ASN A 63 51.155 33.085 -31.815 1.00 0.00 O ATOM 962 CB ASN A 63 52.376 34.525 -29.297 1.00 0.00 C ATOM 963 CG ASN A 63 51.358 35.654 -29.409 1.00 0.00 C ATOM 964 OD1 ASN A 63 51.564 36.604 -30.164 1.00 0.00 O ATOM 965 ND2 ASN A 63 50.265 35.607 -28.699 1.00 0.00 N ATOM 0 H ASN A 63 54.006 35.993 -30.407 1.00 0.00 H new ATOM 0 HA ASN A 63 53.461 33.237 -30.644 1.00 0.00 H new ATOM 0 HB2 ASN A 63 51.904 33.639 -28.872 1.00 0.00 H new ATOM 0 HB3 ASN A 63 53.179 34.814 -28.619 1.00 0.00 H new ATOM 0 HD21 ASN A 63 49.579 36.358 -28.769 1.00 0.00 H new ATOM 0 HD22 ASN A 63 50.096 34.819 -28.074 1.00 0.00 H new ATOM 972 N TYR A 64 51.589 35.207 -32.419 1.00 0.00 N ATOM 973 CA TYR A 64 50.526 35.236 -33.418 1.00 0.00 C ATOM 974 C TYR A 64 50.933 34.435 -34.650 1.00 0.00 C ATOM 975 O TYR A 64 50.136 33.676 -35.203 1.00 0.00 O ATOM 976 CB TYR A 64 50.229 36.682 -33.820 1.00 0.00 C ATOM 977 CG TYR A 64 49.038 36.714 -34.748 1.00 0.00 C ATOM 978 CD1 TYR A 64 47.762 36.405 -34.261 1.00 0.00 C ATOM 979 CD2 TYR A 64 49.210 37.055 -36.095 1.00 0.00 C ATOM 980 CE1 TYR A 64 46.658 36.437 -35.122 1.00 0.00 C ATOM 981 CE2 TYR A 64 48.105 37.087 -36.956 1.00 0.00 C ATOM 982 CZ TYR A 64 46.830 36.778 -36.469 1.00 0.00 C ATOM 983 OH TYR A 64 45.741 36.809 -37.316 1.00 0.00 O ATOM 0 H TYR A 64 52.121 36.073 -32.336 1.00 0.00 H new ATOM 0 HA TYR A 64 49.630 34.789 -32.987 1.00 0.00 H new ATOM 0 HB2 TYR A 64 50.028 37.283 -32.933 1.00 0.00 H new ATOM 0 HB3 TYR A 64 51.098 37.120 -34.312 1.00 0.00 H new ATOM 0 HD1 TYR A 64 47.629 36.142 -33.222 1.00 0.00 H new ATOM 0 HD2 TYR A 64 50.194 37.293 -36.470 1.00 0.00 H new ATOM 0 HE1 TYR A 64 45.674 36.199 -34.747 1.00 0.00 H new ATOM 0 HE2 TYR A 64 48.237 37.350 -37.995 1.00 0.00 H new ATOM 0 HH TYR A 64 46.033 37.065 -38.216 1.00 0.00 H new ATOM 993 N LEU A 65 52.181 34.610 -35.071 1.00 0.00 N ATOM 994 CA LEU A 65 52.693 33.900 -36.237 1.00 0.00 C ATOM 995 C LEU A 65 52.899 32.420 -35.909 1.00 0.00 C ATOM 996 O LEU A 65 53.017 32.052 -34.741 1.00 0.00 O ATOM 997 CB LEU A 65 54.022 34.519 -36.680 1.00 0.00 C ATOM 998 CG LEU A 65 53.775 35.924 -37.231 1.00 0.00 C ATOM 999 CD1 LEU A 65 55.084 36.716 -37.214 1.00 0.00 C ATOM 1000 CD2 LEU A 65 53.263 35.826 -38.671 1.00 0.00 C ATOM 0 H LEU A 65 52.853 35.234 -34.625 1.00 0.00 H new ATOM 0 HA LEU A 65 51.967 33.985 -37.045 1.00 0.00 H new ATOM 0 HB2 LEU A 65 54.712 34.564 -35.838 1.00 0.00 H new ATOM 0 HB3 LEU A 65 54.489 33.895 -37.442 1.00 0.00 H new ATOM 0 HG LEU A 65 53.033 36.429 -36.613 1.00 0.00 H new ATOM 0 HD11 LEU A 65 54.908 37.718 -37.607 1.00 0.00 H new ATOM 0 HD12 LEU A 65 55.453 36.787 -36.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 55.824 36.208 -37.832 1.00 0.00 H new ATOM 0 HD21 LEU A 65 53.087 36.828 -39.064 1.00 0.00 H new ATOM 0 HD22 LEU A 65 54.006 35.320 -39.288 1.00 0.00 H new ATOM 0 HD23 LEU A 65 52.331 35.261 -38.688 1.00 0.00 H new ATOM 1012 N PRO A 66 52.944 31.571 -36.906 1.00 0.00 N ATOM 1013 CA PRO A 66 53.141 30.104 -36.699 1.00 0.00 C ATOM 1014 C PRO A 66 54.372 29.804 -35.848 1.00 0.00 C ATOM 1015 O PRO A 66 55.411 30.449 -35.991 1.00 0.00 O ATOM 1016 CB PRO A 66 53.312 29.550 -38.116 1.00 0.00 C ATOM 1017 CG PRO A 66 52.662 30.547 -39.014 1.00 0.00 C ATOM 1018 CD PRO A 66 52.813 31.906 -38.335 1.00 0.00 C ATOM 0 HA PRO A 66 52.306 29.655 -36.161 1.00 0.00 H new ATOM 0 HB2 PRO A 66 54.366 29.426 -38.365 1.00 0.00 H new ATOM 0 HB3 PRO A 66 52.844 28.570 -38.214 1.00 0.00 H new ATOM 0 HG2 PRO A 66 53.134 30.550 -39.996 1.00 0.00 H new ATOM 0 HG3 PRO A 66 51.610 30.304 -39.166 1.00 0.00 H new ATOM 0 HD2 PRO A 66 53.688 32.442 -38.702 1.00 0.00 H new ATOM 0 HD3 PRO A 66 51.948 32.544 -38.519 1.00 0.00 H new