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 Set 1.1: A 46 ASN : amide:sc= -0.321 K(o=-0.32,f=-5.1!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot 179:sc= 1.03 USER MOD Set 2.2: A 45 SER OG : rot 3:sc= 0.613 USER MOD Set 3.1: A 30 SER OG : rot 1:sc= 0.112 USER MOD Set 3.2: A 33 ASN : amide:sc= 0.13 K(o=0.24,f=-0.7) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.055) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= -2.03 (180deg=-2.11) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.192) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 14 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0429 K(o=-0.043,f=-1.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0365 X(o=-0.037,f=-0.052) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.197 K(o=-0.2,f=-4.5!) 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 42 ASN : amide:sc= -0.627 K(o=-0.63,f=-5.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.137 (180deg=-0.956) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00473 (180deg=-0.207) USER MOD Single : A 63 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.143 0.117 3.275 1.00 0.00 N ATOM 32 CA ILE A 3 1.019 1.147 2.728 1.00 0.00 C ATOM 33 C ILE A 3 2.468 0.669 2.720 1.00 0.00 C ATOM 34 O ILE A 3 2.914 -0.004 3.648 1.00 0.00 O ATOM 35 CB ILE A 3 0.905 2.424 3.562 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.693 3.550 2.885 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.474 2.175 4.959 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.983 3.975 1.597 1.00 0.00 C ATOM 0 HA ILE A 3 0.711 1.354 1.703 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.144 2.711 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.782 4.401 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.705 3.214 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.392 3.085 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.914 1.375 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.522 1.887 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.546 4.776 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.917 3.123 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.020 4.329 1.834 1.00 0.00 H new ATOM 50 N GLU A 4 3.196 1.022 1.666 1.00 0.00 N ATOM 51 CA GLU A 4 4.594 0.623 1.548 1.00 0.00 C ATOM 52 C GLU A 4 5.506 1.845 1.591 1.00 0.00 C ATOM 53 O GLU A 4 5.058 2.974 1.388 1.00 0.00 O ATOM 54 CB GLU A 4 4.812 -0.133 0.236 1.00 0.00 C ATOM 55 CG GLU A 4 4.530 0.798 -0.945 1.00 0.00 C ATOM 56 CD GLU A 4 4.678 0.035 -2.257 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.997 -1.141 -2.203 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.469 0.639 -3.297 1.00 0.00 O ATOM 0 H GLU A 4 2.845 1.579 0.887 1.00 0.00 H new ATOM 0 HA GLU A 4 4.839 -0.028 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.836 -0.504 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.156 -1.002 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.523 1.207 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.219 1.642 -0.926 1.00 0.00 H new ATOM 65 N SER A 5 6.786 1.611 1.859 1.00 0.00 N ATOM 66 CA SER A 5 7.754 2.700 1.927 1.00 0.00 C ATOM 67 C SER A 5 8.021 3.269 0.538 1.00 0.00 C ATOM 68 O SER A 5 7.722 2.632 -0.472 1.00 0.00 O ATOM 69 CB SER A 5 9.063 2.195 2.534 1.00 0.00 C ATOM 70 OG SER A 5 9.690 1.304 1.621 1.00 0.00 O ATOM 0 H SER A 5 7.176 0.684 2.032 1.00 0.00 H new ATOM 0 HA SER A 5 7.342 3.489 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.723 3.034 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.868 1.688 3.479 1.00 0.00 H new ATOM 0 HG SER A 5 10.531 0.979 2.006 1.00 0.00 H new ATOM 76 N HIS A 6 8.587 4.471 0.495 1.00 0.00 N ATOM 77 CA HIS A 6 8.892 5.117 -0.776 1.00 0.00 C ATOM 78 C HIS A 6 9.897 4.291 -1.575 1.00 0.00 C ATOM 79 O HIS A 6 9.976 4.407 -2.798 1.00 0.00 O ATOM 80 CB HIS A 6 9.461 6.515 -0.527 1.00 0.00 C ATOM 81 CG HIS A 6 10.856 6.399 0.023 1.00 0.00 C ATOM 82 ND1 HIS A 6 11.956 6.928 -0.634 1.00 0.00 N ATOM 83 CD2 HIS A 6 11.346 5.818 1.167 1.00 0.00 C ATOM 84 CE1 HIS A 6 13.043 6.656 0.112 1.00 0.00 C ATOM 85 NE2 HIS A 6 12.727 5.981 1.220 1.00 0.00 N ATOM 0 H HIS A 6 8.842 5.014 1.320 1.00 0.00 H new ATOM 0 HA HIS A 6 7.969 5.196 -1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.471 7.086 -1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.827 7.058 0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.750 5.312 1.912 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.048 6.948 -0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.362 5.655 1.949 1.00 0.00 H new ATOM 94 N GLN A 7 10.663 3.457 -0.877 1.00 0.00 N ATOM 95 CA GLN A 7 11.658 2.619 -1.536 1.00 0.00 C ATOM 96 C GLN A 7 11.007 1.772 -2.625 1.00 0.00 C ATOM 97 O GLN A 7 9.956 1.168 -2.411 1.00 0.00 O ATOM 98 CB GLN A 7 12.331 1.704 -0.511 1.00 0.00 C ATOM 99 CG GLN A 7 13.545 1.026 -1.150 1.00 0.00 C ATOM 100 CD GLN A 7 14.203 0.084 -0.147 1.00 0.00 C ATOM 101 OE1 GLN A 7 14.006 -1.129 -0.212 1.00 0.00 O ATOM 102 NE2 GLN A 7 14.978 0.573 0.783 1.00 0.00 N ATOM 0 H GLN A 7 10.614 3.344 0.136 1.00 0.00 H new ATOM 0 HA GLN A 7 12.407 3.266 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.641 2.282 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.624 0.952 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.237 0.470 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.261 1.779 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.140 1.579 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.421 -0.051 1.457 1.00 0.00 H new ATOM 111 N VAL A 8 11.638 1.735 -3.795 1.00 0.00 N ATOM 112 CA VAL A 8 11.109 0.961 -4.912 1.00 0.00 C ATOM 113 C VAL A 8 12.233 0.230 -5.641 1.00 0.00 C ATOM 114 O VAL A 8 13.343 0.747 -5.767 1.00 0.00 O ATOM 115 CB VAL A 8 10.385 1.885 -5.889 1.00 0.00 C ATOM 116 CG1 VAL A 8 11.373 2.910 -6.449 1.00 0.00 C ATOM 117 CG2 VAL A 8 9.805 1.057 -7.038 1.00 0.00 C ATOM 0 H VAL A 8 12.509 2.228 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 8 10.408 0.225 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 8 9.579 2.403 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.857 3.570 -7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.788 3.499 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.179 2.392 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.288 1.715 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.612 0.540 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.102 0.325 -6.640 1.00 0.00 H new ATOM 127 N GLU A 9 11.934 -0.973 -6.121 1.00 0.00 N ATOM 128 CA GLU A 9 12.926 -1.767 -6.839 1.00 0.00 C ATOM 129 C GLU A 9 12.420 -2.116 -8.236 1.00 0.00 C ATOM 130 O GLU A 9 12.267 -3.288 -8.579 1.00 0.00 O ATOM 131 CB GLU A 9 13.239 -3.053 -6.064 1.00 0.00 C ATOM 132 CG GLU A 9 11.991 -3.533 -5.315 1.00 0.00 C ATOM 133 CD GLU A 9 10.824 -3.693 -6.284 1.00 0.00 C ATOM 134 OE1 GLU A 9 10.828 -4.658 -7.031 1.00 0.00 O ATOM 135 OE2 GLU A 9 9.942 -2.850 -6.264 1.00 0.00 O ATOM 0 H GLU A 9 11.021 -1.417 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 9 13.837 -1.176 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.580 -3.827 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.050 -2.873 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.197 -4.483 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.729 -2.819 -4.534 1.00 0.00 H new ATOM 142 N LYS A 10 12.163 -1.088 -9.039 1.00 0.00 N ATOM 143 CA LYS A 10 11.674 -1.295 -10.398 1.00 0.00 C ATOM 144 C LYS A 10 12.749 -0.931 -11.417 1.00 0.00 C ATOM 145 O LYS A 10 13.789 -0.373 -11.064 1.00 0.00 O ATOM 146 CB LYS A 10 10.427 -0.443 -10.640 1.00 0.00 C ATOM 147 CG LYS A 10 10.792 1.039 -10.547 1.00 0.00 C ATOM 148 CD LYS A 10 9.535 1.888 -10.746 1.00 0.00 C ATOM 149 CE LYS A 10 9.914 3.370 -10.752 1.00 0.00 C ATOM 150 NZ LYS A 10 10.505 3.737 -9.434 1.00 0.00 N ATOM 0 H LYS A 10 12.284 -0.110 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 10 11.422 -2.349 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.008 -0.664 -11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.660 -0.686 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.239 1.254 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.536 1.289 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.049 1.622 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.819 1.688 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.628 3.571 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.033 3.981 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.622 4.769 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.874 3.420 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.432 3.278 -9.329 1.00 0.00 H new ATOM 164 N ARG A 11 12.492 -1.253 -12.681 1.00 0.00 N ATOM 165 CA ARG A 11 13.445 -0.959 -13.746 1.00 0.00 C ATOM 166 C ARG A 11 12.825 -0.022 -14.779 1.00 0.00 C ATOM 167 O ARG A 11 12.661 -0.382 -15.943 1.00 0.00 O ATOM 168 CB ARG A 11 13.935 -2.251 -14.435 1.00 0.00 C ATOM 169 CG ARG A 11 12.856 -3.354 -14.436 1.00 0.00 C ATOM 170 CD ARG A 11 11.797 -3.055 -15.501 1.00 0.00 C ATOM 171 NE ARG A 11 10.768 -2.167 -14.966 1.00 0.00 N ATOM 172 CZ ARG A 11 9.772 -2.623 -14.202 1.00 0.00 C ATOM 173 NH1 ARG A 11 9.687 -3.894 -13.898 1.00 0.00 N ATOM 174 NH2 ARG A 11 8.872 -1.792 -13.753 1.00 0.00 N ATOM 0 H ARG A 11 11.637 -1.715 -12.992 1.00 0.00 H new ATOM 0 HA ARG A 11 14.305 -0.467 -13.291 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.224 -2.026 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.826 -2.617 -13.926 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.316 -4.323 -14.631 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.387 -3.416 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.267 -2.594 -16.370 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.342 -3.985 -15.841 1.00 0.00 H new ATOM 0 HE ARG A 11 10.811 -1.171 -15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.387 -4.549 -14.246 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.921 -4.228 -13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.932 -0.801 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.109 -2.134 -13.169 1.00 0.00 H new ATOM 188 N LYS A 12 12.487 1.188 -14.344 1.00 0.00 N ATOM 189 CA LYS A 12 11.890 2.171 -15.242 1.00 0.00 C ATOM 190 C LYS A 12 12.833 2.475 -16.402 1.00 0.00 C ATOM 191 O LYS A 12 14.049 2.326 -16.280 1.00 0.00 O ATOM 192 CB LYS A 12 11.581 3.459 -14.477 1.00 0.00 C ATOM 193 CG LYS A 12 12.886 4.102 -14.004 1.00 0.00 C ATOM 194 CD LYS A 12 12.569 5.333 -13.153 1.00 0.00 C ATOM 195 CE LYS A 12 13.868 5.921 -12.597 1.00 0.00 C ATOM 196 NZ LYS A 12 14.662 6.515 -13.709 1.00 0.00 N ATOM 0 H LYS A 12 12.615 1.510 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 12 10.963 1.758 -15.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.034 4.151 -15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.941 3.241 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.467 3.386 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.495 4.387 -14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.048 6.079 -13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.902 5.060 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.644 6.682 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.447 5.144 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.415 7.115 -13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.086 5.754 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.040 7.091 -14.311 1.00 0.00 H new ATOM 210 N CYS A 13 12.262 2.896 -17.527 1.00 0.00 N ATOM 211 CA CYS A 13 13.061 3.213 -18.706 1.00 0.00 C ATOM 212 C CYS A 13 14.230 4.121 -18.336 1.00 0.00 C ATOM 213 O CYS A 13 14.043 5.300 -18.038 1.00 0.00 O ATOM 214 CB CYS A 13 12.190 3.902 -19.758 1.00 0.00 C ATOM 215 SG CYS A 13 13.012 3.816 -21.369 1.00 0.00 S ATOM 0 H CYS A 13 11.257 3.025 -17.647 1.00 0.00 H new ATOM 0 HA CYS A 13 13.455 2.282 -19.114 1.00 0.00 H new ATOM 0 HB2 CYS A 13 11.213 3.421 -19.810 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.019 4.942 -19.480 1.00 0.00 H new ATOM 0 HG CYS A 13 12.272 4.399 -22.265 1.00 0.00 H new ATOM 220 N ASN A 14 15.434 3.559 -18.355 1.00 0.00 N ATOM 221 CA ASN A 14 16.631 4.323 -18.016 1.00 0.00 C ATOM 222 C ASN A 14 17.500 4.581 -19.248 1.00 0.00 C ATOM 223 O ASN A 14 18.481 5.322 -19.172 1.00 0.00 O ATOM 224 CB ASN A 14 17.449 3.565 -16.968 1.00 0.00 C ATOM 225 CG ASN A 14 17.797 2.172 -17.482 1.00 0.00 C ATOM 226 OD1 ASN A 14 18.244 2.021 -18.618 1.00 0.00 O ATOM 227 ND2 ASN A 14 17.616 1.138 -16.707 1.00 0.00 N ATOM 0 H ASN A 14 15.607 2.584 -18.600 1.00 0.00 H new ATOM 0 HA ASN A 14 16.311 5.285 -17.617 1.00 0.00 H new ATOM 0 HB2 ASN A 14 18.362 4.115 -16.740 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.883 3.488 -16.040 1.00 0.00 H new ATOM 0 HD21 ASN A 14 17.845 0.203 -17.043 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.245 1.265 -15.765 1.00 0.00 H new ATOM 234 N THR A 15 17.149 3.973 -20.380 1.00 0.00 N ATOM 235 CA THR A 15 17.924 4.160 -21.601 1.00 0.00 C ATOM 236 C THR A 15 18.031 5.641 -21.952 1.00 0.00 C ATOM 237 O THR A 15 17.388 6.486 -21.329 1.00 0.00 O ATOM 238 CB THR A 15 17.270 3.397 -22.758 1.00 0.00 C ATOM 239 OG1 THR A 15 18.176 3.331 -23.850 1.00 0.00 O ATOM 240 CG2 THR A 15 15.992 4.113 -23.197 1.00 0.00 C ATOM 0 H THR A 15 16.343 3.355 -20.475 1.00 0.00 H new ATOM 0 HA THR A 15 18.928 3.770 -21.434 1.00 0.00 H new ATOM 0 HB THR A 15 17.019 2.389 -22.428 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.761 2.842 -24.591 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.532 3.565 -24.020 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.296 4.161 -22.360 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.235 5.124 -23.525 1.00 0.00 H new ATOM 306 N GLN A 21 13.453 12.221 -23.657 1.00 0.00 N ATOM 307 CA GLN A 21 12.044 12.574 -23.519 1.00 0.00 C ATOM 308 C GLN A 21 11.831 13.524 -22.340 1.00 0.00 C ATOM 309 O GLN A 21 10.915 14.347 -22.357 1.00 0.00 O ATOM 310 CB GLN A 21 11.198 11.305 -23.343 1.00 0.00 C ATOM 311 CG GLN A 21 10.745 11.157 -21.886 1.00 0.00 C ATOM 312 CD GLN A 21 10.109 9.786 -21.679 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.897 9.634 -21.830 1.00 0.00 O ATOM 314 NE2 GLN A 21 10.860 8.774 -21.341 1.00 0.00 N ATOM 0 HA GLN A 21 11.728 13.087 -24.427 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.328 11.348 -23.998 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.777 10.431 -23.640 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.597 11.278 -21.217 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.030 11.941 -21.636 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.864 8.903 -21.217 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.443 7.854 -21.201 1.00 0.00 H new ATOM 323 N ARG A 22 12.678 13.413 -21.320 1.00 0.00 N ATOM 324 CA ARG A 22 12.553 14.279 -20.153 1.00 0.00 C ATOM 325 C ARG A 22 13.123 15.663 -20.452 1.00 0.00 C ATOM 326 O ARG A 22 12.745 16.650 -19.819 1.00 0.00 O ATOM 327 CB ARG A 22 13.250 13.643 -18.935 1.00 0.00 C ATOM 328 CG ARG A 22 14.717 14.090 -18.829 1.00 0.00 C ATOM 329 CD ARG A 22 14.816 15.340 -17.950 1.00 0.00 C ATOM 330 NE ARG A 22 15.527 15.031 -16.713 1.00 0.00 N ATOM 331 CZ ARG A 22 16.847 14.839 -16.691 1.00 0.00 C ATOM 332 NH1 ARG A 22 17.555 14.922 -17.789 1.00 0.00 N ATOM 333 NH2 ARG A 22 17.440 14.564 -15.561 1.00 0.00 N ATOM 0 H ARG A 22 13.446 12.743 -21.278 1.00 0.00 H new ATOM 0 HA ARG A 22 11.496 14.395 -19.915 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.718 13.919 -18.025 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.204 12.557 -19.014 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.322 13.288 -18.406 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.116 14.300 -19.822 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.336 16.132 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.818 15.712 -17.721 1.00 0.00 H new ATOM 0 HE ARG A 22 15.000 14.960 -15.842 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.098 15.136 -18.676 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.564 14.773 -17.758 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.894 14.497 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.449 14.416 -15.537 1.00 0.00 H new ATOM 347 N LEU A 23 14.028 15.730 -21.425 1.00 0.00 N ATOM 348 CA LEU A 23 14.636 16.998 -21.805 1.00 0.00 C ATOM 349 C LEU A 23 13.626 17.865 -22.549 1.00 0.00 C ATOM 350 O LEU A 23 13.607 19.086 -22.394 1.00 0.00 O ATOM 351 CB LEU A 23 15.856 16.744 -22.696 1.00 0.00 C ATOM 352 CG LEU A 23 16.518 18.074 -23.070 1.00 0.00 C ATOM 353 CD1 LEU A 23 17.074 18.746 -21.813 1.00 0.00 C ATOM 354 CD2 LEU A 23 17.662 17.810 -24.053 1.00 0.00 C ATOM 0 H LEU A 23 14.354 14.925 -21.961 1.00 0.00 H new ATOM 0 HA LEU A 23 14.952 17.520 -20.902 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.571 16.107 -22.175 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.553 16.213 -23.598 1.00 0.00 H new ATOM 0 HG LEU A 23 15.779 18.729 -23.532 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.544 19.692 -22.084 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.262 18.932 -21.110 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.813 18.093 -21.348 1.00 0.00 H new ATOM 0 HD21 LEU A 23 18.136 18.754 -24.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.398 17.154 -23.587 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.268 17.333 -24.951 1.00 0.00 H new ATOM 366 N ALA A 24 12.785 17.223 -23.355 1.00 0.00 N ATOM 367 CA ALA A 24 11.772 17.943 -24.117 1.00 0.00 C ATOM 368 C ALA A 24 10.784 18.626 -23.179 1.00 0.00 C ATOM 369 O ALA A 24 10.350 19.750 -23.431 1.00 0.00 O ATOM 370 CB ALA A 24 11.023 16.974 -25.034 1.00 0.00 C ATOM 0 H ALA A 24 12.785 16.213 -23.496 1.00 0.00 H new ATOM 0 HA ALA A 24 12.268 18.703 -24.720 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.268 17.519 -25.600 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.727 16.508 -25.723 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.540 16.204 -24.433 1.00 0.00 H new ATOM 376 N ASN A 25 10.435 17.942 -22.093 1.00 0.00 N ATOM 377 CA ASN A 25 9.501 18.498 -21.121 1.00 0.00 C ATOM 378 C ASN A 25 10.122 19.695 -20.409 1.00 0.00 C ATOM 379 O ASN A 25 9.433 20.658 -20.077 1.00 0.00 O ATOM 380 CB ASN A 25 9.122 17.430 -20.093 1.00 0.00 C ATOM 381 CG ASN A 25 7.937 17.906 -19.260 1.00 0.00 C ATOM 382 OD1 ASN A 25 7.048 18.585 -19.773 1.00 0.00 O ATOM 383 ND2 ASN A 25 7.871 17.588 -17.995 1.00 0.00 N ATOM 0 H ASN A 25 10.782 17.010 -21.866 1.00 0.00 H new ATOM 0 HA ASN A 25 8.606 18.827 -21.649 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.870 16.499 -20.600 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.972 17.220 -19.444 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.082 17.902 -17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.609 17.025 -17.571 1.00 0.00 H new ATOM 390 N PHE A 26 11.428 19.623 -20.177 1.00 0.00 N ATOM 391 CA PHE A 26 12.138 20.704 -19.502 1.00 0.00 C ATOM 392 C PHE A 26 12.121 21.976 -20.346 1.00 0.00 C ATOM 393 O PHE A 26 12.016 23.081 -19.814 1.00 0.00 O ATOM 394 CB PHE A 26 13.586 20.288 -19.232 1.00 0.00 C ATOM 395 CG PHE A 26 14.299 21.396 -18.495 1.00 0.00 C ATOM 396 CD1 PHE A 26 14.114 21.551 -17.116 1.00 0.00 C ATOM 397 CD2 PHE A 26 15.144 22.269 -19.190 1.00 0.00 C ATOM 398 CE1 PHE A 26 14.774 22.578 -16.432 1.00 0.00 C ATOM 399 CE2 PHE A 26 15.804 23.297 -18.506 1.00 0.00 C ATOM 400 CZ PHE A 26 15.620 23.451 -17.127 1.00 0.00 C ATOM 0 H PHE A 26 12.014 18.832 -20.444 1.00 0.00 H new ATOM 0 HA PHE A 26 11.633 20.906 -18.557 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.608 19.371 -18.642 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.096 20.075 -20.172 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.462 20.878 -16.580 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.287 22.150 -20.254 1.00 0.00 H new ATOM 0 HE1 PHE A 26 14.631 22.697 -15.368 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.455 23.971 -19.042 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.130 24.243 -16.599 1.00 0.00 H new ATOM 410 N LEU A 27 12.233 21.815 -21.661 1.00 0.00 N ATOM 411 CA LEU A 27 12.237 22.961 -22.564 1.00 0.00 C ATOM 412 C LEU A 27 10.926 23.735 -22.436 1.00 0.00 C ATOM 413 O LEU A 27 10.925 24.964 -22.403 1.00 0.00 O ATOM 414 CB LEU A 27 12.447 22.468 -24.011 1.00 0.00 C ATOM 415 CG LEU A 27 12.511 23.625 -25.038 1.00 0.00 C ATOM 416 CD1 LEU A 27 11.095 24.070 -25.442 1.00 0.00 C ATOM 417 CD2 LEU A 27 13.295 24.821 -24.475 1.00 0.00 C ATOM 0 H LEU A 27 12.322 20.910 -22.122 1.00 0.00 H new ATOM 0 HA LEU A 27 13.052 23.634 -22.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.371 21.891 -24.063 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.635 21.793 -24.281 1.00 0.00 H new ATOM 0 HG LEU A 27 13.032 23.256 -25.922 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.162 24.884 -26.164 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.564 23.230 -25.890 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.555 24.412 -24.559 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.324 25.619 -25.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.806 25.184 -23.571 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.312 24.510 -24.237 1.00 0.00 H new ATOM 429 N VAL A 28 9.813 23.014 -22.346 1.00 0.00 N ATOM 430 CA VAL A 28 8.513 23.663 -22.206 1.00 0.00 C ATOM 431 C VAL A 28 8.266 24.042 -20.748 1.00 0.00 C ATOM 432 O VAL A 28 7.551 25.002 -20.461 1.00 0.00 O ATOM 433 CB VAL A 28 7.398 22.740 -22.704 1.00 0.00 C ATOM 434 CG1 VAL A 28 7.630 22.409 -24.179 1.00 0.00 C ATOM 435 CG2 VAL A 28 7.393 21.445 -21.888 1.00 0.00 C ATOM 0 H VAL A 28 9.783 21.995 -22.367 1.00 0.00 H new ATOM 0 HA VAL A 28 8.513 24.569 -22.811 1.00 0.00 H new ATOM 0 HB VAL A 28 6.438 23.243 -22.588 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.836 21.752 -24.534 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.627 23.329 -24.763 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.592 21.910 -24.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.597 20.792 -22.247 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.353 20.942 -21.999 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.225 21.678 -20.837 1.00 0.00 H new ATOM 445 N HIS A 29 8.868 23.291 -19.833 1.00 0.00 N ATOM 446 CA HIS A 29 8.712 23.567 -18.409 1.00 0.00 C ATOM 447 C HIS A 29 9.496 24.818 -18.017 1.00 0.00 C ATOM 448 O HIS A 29 9.186 25.470 -17.019 1.00 0.00 O ATOM 449 CB HIS A 29 9.209 22.374 -17.589 1.00 0.00 C ATOM 450 CG HIS A 29 8.922 22.613 -16.133 1.00 0.00 C ATOM 451 ND1 HIS A 29 7.630 22.647 -15.630 1.00 0.00 N ATOM 452 CD2 HIS A 29 9.748 22.830 -15.058 1.00 0.00 C ATOM 453 CE1 HIS A 29 7.716 22.877 -14.307 1.00 0.00 C ATOM 454 NE2 HIS A 29 8.985 22.997 -13.906 1.00 0.00 N ATOM 0 H HIS A 29 9.464 22.492 -20.049 1.00 0.00 H new ATOM 0 HA HIS A 29 7.655 23.734 -18.203 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.718 21.460 -17.922 1.00 0.00 H new ATOM 0 HB3 HIS A 29 10.279 22.235 -17.742 1.00 0.00 H new ATOM 0 HD2 HIS A 29 10.827 22.866 -15.100 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.863 22.955 -13.649 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.322 23.173 -12.959 1.00 0.00 H new ATOM 463 N SER A 30 10.512 25.146 -18.812 1.00 0.00 N ATOM 464 CA SER A 30 11.334 26.321 -18.539 1.00 0.00 C ATOM 465 C SER A 30 11.247 27.336 -19.680 1.00 0.00 C ATOM 466 O SER A 30 12.050 28.265 -19.751 1.00 0.00 O ATOM 467 CB SER A 30 12.790 25.902 -18.337 1.00 0.00 C ATOM 468 OG SER A 30 13.416 26.801 -17.430 1.00 0.00 O ATOM 0 H SER A 30 10.784 24.620 -19.643 1.00 0.00 H new ATOM 0 HA SER A 30 10.957 26.792 -17.631 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.837 24.884 -17.949 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.317 25.904 -19.291 1.00 0.00 H new ATOM 0 HG SER A 30 12.768 27.476 -17.139 1.00 0.00 H new ATOM 474 N SER A 31 10.271 27.159 -20.569 1.00 0.00 N ATOM 475 CA SER A 31 10.106 28.077 -21.692 1.00 0.00 C ATOM 476 C SER A 31 9.657 29.449 -21.203 1.00 0.00 C ATOM 477 O SER A 31 10.126 30.474 -21.696 1.00 0.00 O ATOM 478 CB SER A 31 9.084 27.523 -22.684 1.00 0.00 C ATOM 479 OG SER A 31 8.924 28.444 -23.755 1.00 0.00 O ATOM 0 H SER A 31 9.592 26.399 -20.534 1.00 0.00 H new ATOM 0 HA SER A 31 11.069 28.180 -22.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.416 26.558 -23.066 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.129 27.357 -22.186 1.00 0.00 H new ATOM 0 HG SER A 31 8.270 28.092 -24.394 1.00 0.00 H new ATOM 485 N ASN A 32 8.744 29.467 -20.238 1.00 0.00 N ATOM 486 CA ASN A 32 8.244 30.727 -19.701 1.00 0.00 C ATOM 487 C ASN A 32 9.393 31.590 -19.193 1.00 0.00 C ATOM 488 O ASN A 32 9.292 32.817 -19.156 1.00 0.00 O ATOM 489 CB ASN A 32 7.269 30.452 -18.555 1.00 0.00 C ATOM 490 CG ASN A 32 7.964 29.645 -17.464 1.00 0.00 C ATOM 491 OD1 ASN A 32 8.522 28.582 -17.736 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.964 30.090 -16.237 1.00 0.00 N ATOM 0 H ASN A 32 8.338 28.632 -19.815 1.00 0.00 H new ATOM 0 HA ASN A 32 7.730 31.261 -20.500 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.901 31.393 -18.145 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.402 29.906 -18.927 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.427 29.557 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.501 30.971 -16.014 1.00 0.00 H new ATOM 499 N ASN A 33 10.486 30.942 -18.806 1.00 0.00 N ATOM 500 CA ASN A 33 11.649 31.666 -18.304 1.00 0.00 C ATOM 501 C ASN A 33 12.374 32.367 -19.450 1.00 0.00 C ATOM 502 O ASN A 33 13.056 33.371 -19.249 1.00 0.00 O ATOM 503 CB ASN A 33 12.607 30.702 -17.601 1.00 0.00 C ATOM 504 CG ASN A 33 11.986 30.208 -16.299 1.00 0.00 C ATOM 505 OD1 ASN A 33 11.552 29.060 -16.214 1.00 0.00 O ATOM 506 ND2 ASN A 33 11.918 31.012 -15.273 1.00 0.00 N ATOM 0 H ASN A 33 10.592 29.928 -18.829 1.00 0.00 H new ATOM 0 HA ASN A 33 11.307 32.416 -17.590 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.828 29.856 -18.252 1.00 0.00 H new ATOM 0 HB3 ASN A 33 13.554 31.202 -17.396 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.504 30.689 -14.398 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.279 31.963 -15.346 1.00 0.00 H new ATOM 513 N PHE A 34 12.212 31.827 -20.654 1.00 0.00 N ATOM 514 CA PHE A 34 12.848 32.402 -21.833 1.00 0.00 C ATOM 515 C PHE A 34 12.428 33.859 -21.997 1.00 0.00 C ATOM 516 O PHE A 34 13.257 34.728 -22.266 1.00 0.00 O ATOM 517 CB PHE A 34 12.462 31.609 -23.082 1.00 0.00 C ATOM 518 CG PHE A 34 13.176 32.182 -24.283 1.00 0.00 C ATOM 519 CD1 PHE A 34 14.533 31.906 -24.487 1.00 0.00 C ATOM 520 CD2 PHE A 34 12.481 32.988 -25.193 1.00 0.00 C ATOM 521 CE1 PHE A 34 15.197 32.437 -25.600 1.00 0.00 C ATOM 522 CE2 PHE A 34 13.145 33.519 -26.306 1.00 0.00 C ATOM 523 CZ PHE A 34 14.502 33.243 -26.509 1.00 0.00 C ATOM 0 H PHE A 34 11.649 30.997 -20.838 1.00 0.00 H new ATOM 0 HA PHE A 34 13.929 32.355 -21.703 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.726 30.559 -22.955 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.383 31.650 -23.233 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.068 31.283 -23.786 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.434 33.200 -25.037 1.00 0.00 H new ATOM 0 HE1 PHE A 34 16.244 32.225 -25.757 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.610 34.142 -27.008 1.00 0.00 H new ATOM 0 HZ PHE A 34 15.013 33.652 -27.368 1.00 0.00 H new ATOM 533 N GLY A 35 11.138 34.119 -21.818 1.00 0.00 N ATOM 534 CA GLY A 35 10.619 35.476 -21.933 1.00 0.00 C ATOM 535 C GLY A 35 11.185 36.361 -20.828 1.00 0.00 C ATOM 536 O GLY A 35 11.637 37.476 -21.090 1.00 0.00 O ATOM 0 H GLY A 35 10.437 33.413 -21.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.879 35.890 -22.907 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.531 35.461 -21.873 1.00 0.00 H new ATOM 540 N ALA A 36 11.160 35.868 -19.594 1.00 0.00 N ATOM 541 CA ALA A 36 11.676 36.640 -18.469 1.00 0.00 C ATOM 542 C ALA A 36 13.127 37.038 -18.717 1.00 0.00 C ATOM 543 O ALA A 36 13.548 38.145 -18.377 1.00 0.00 O ATOM 544 CB ALA A 36 11.588 35.811 -17.187 1.00 0.00 C ATOM 0 H ALA A 36 10.793 34.949 -19.349 1.00 0.00 H new ATOM 0 HA ALA A 36 11.074 37.543 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.975 36.393 -16.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.548 35.547 -16.995 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.178 34.902 -17.300 1.00 0.00 H new ATOM 550 N ILE A 37 13.885 36.123 -19.312 1.00 0.00 N ATOM 551 CA ILE A 37 15.292 36.374 -19.608 1.00 0.00 C ATOM 552 C ILE A 37 15.444 37.558 -20.557 1.00 0.00 C ATOM 553 O ILE A 37 16.352 38.375 -20.404 1.00 0.00 O ATOM 554 CB ILE A 37 15.920 35.131 -20.240 1.00 0.00 C ATOM 555 CG1 ILE A 37 16.100 34.050 -19.170 1.00 0.00 C ATOM 556 CG2 ILE A 37 17.284 35.491 -20.832 1.00 0.00 C ATOM 557 CD1 ILE A 37 16.416 32.713 -19.843 1.00 0.00 C ATOM 0 H ILE A 37 13.550 35.203 -19.598 1.00 0.00 H new ATOM 0 HA ILE A 37 15.801 36.608 -18.673 1.00 0.00 H new ATOM 0 HB ILE A 37 15.268 34.758 -21.030 1.00 0.00 H new ATOM 0 HG12 ILE A 37 16.906 34.327 -18.491 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.194 33.962 -18.571 1.00 0.00 H new ATOM 0 HG21 ILE A 37 17.731 34.604 -21.282 1.00 0.00 H new ATOM 0 HG22 ILE A 37 17.158 36.261 -21.594 1.00 0.00 H new ATOM 0 HG23 ILE A 37 17.936 35.865 -20.043 1.00 0.00 H new ATOM 0 HD11 ILE A 37 16.544 31.944 -19.082 1.00 0.00 H new ATOM 0 HD12 ILE A 37 15.595 32.436 -20.505 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.334 32.806 -20.423 1.00 0.00 H new ATOM 569 N LEU A 38 14.554 37.640 -21.540 1.00 0.00 N ATOM 570 CA LEU A 38 14.603 38.725 -22.513 1.00 0.00 C ATOM 571 C LEU A 38 14.460 40.077 -21.821 1.00 0.00 C ATOM 572 O LEU A 38 15.134 41.040 -22.187 1.00 0.00 O ATOM 573 CB LEU A 38 13.489 38.550 -23.550 1.00 0.00 C ATOM 574 CG LEU A 38 13.558 39.673 -24.590 1.00 0.00 C ATOM 575 CD1 LEU A 38 14.864 39.565 -25.381 1.00 0.00 C ATOM 576 CD2 LEU A 38 12.372 39.547 -25.549 1.00 0.00 C ATOM 0 H LEU A 38 13.795 36.974 -21.684 1.00 0.00 H new ATOM 0 HA LEU A 38 15.570 38.693 -23.015 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.587 37.582 -24.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.517 38.560 -23.057 1.00 0.00 H new ATOM 0 HG LEU A 38 13.522 40.638 -24.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.909 40.365 -26.120 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.710 39.652 -24.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.904 38.601 -25.888 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.417 40.344 -26.291 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.412 38.581 -26.052 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.441 39.626 -24.988 1.00 0.00 H new ATOM 588 N SER A 39 13.589 40.149 -20.820 1.00 0.00 N ATOM 589 CA SER A 39 13.388 41.398 -20.094 1.00 0.00 C ATOM 590 C SER A 39 14.609 41.720 -19.239 1.00 0.00 C ATOM 591 O SER A 39 15.002 42.880 -19.111 1.00 0.00 O ATOM 592 CB SER A 39 12.150 41.294 -19.203 1.00 0.00 C ATOM 593 OG SER A 39 10.993 41.166 -20.020 1.00 0.00 O ATOM 0 H SER A 39 13.018 39.369 -20.496 1.00 0.00 H new ATOM 0 HA SER A 39 13.243 42.199 -20.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.237 40.434 -18.539 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.067 42.178 -18.571 1.00 0.00 H new ATOM 0 HG SER A 39 10.197 41.097 -19.452 1.00 0.00 H new ATOM 599 N SER A 40 15.205 40.686 -18.654 1.00 0.00 N ATOM 600 CA SER A 40 16.381 40.868 -17.812 1.00 0.00 C ATOM 601 C SER A 40 17.657 40.701 -18.632 1.00 0.00 C ATOM 602 O SER A 40 18.686 40.266 -18.116 1.00 0.00 O ATOM 603 CB SER A 40 16.368 39.851 -16.671 1.00 0.00 C ATOM 604 OG SER A 40 15.237 40.088 -15.844 1.00 0.00 O ATOM 0 H SER A 40 14.895 39.719 -18.747 1.00 0.00 H new ATOM 0 HA SER A 40 16.357 41.876 -17.399 1.00 0.00 H new ATOM 0 HB2 SER A 40 16.334 38.838 -17.072 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.284 39.932 -16.086 1.00 0.00 H new ATOM 0 HG SER A 40 15.225 39.436 -15.112 1.00 0.00 H new ATOM 610 N THR A 41 17.580 41.047 -19.913 1.00 0.00 N ATOM 611 CA THR A 41 18.734 40.931 -20.798 1.00 0.00 C ATOM 612 C THR A 41 19.935 41.685 -20.232 1.00 0.00 C ATOM 613 O THR A 41 21.078 41.412 -20.600 1.00 0.00 O ATOM 614 CB THR A 41 18.388 41.487 -22.180 1.00 0.00 C ATOM 615 OG1 THR A 41 19.502 41.323 -23.046 1.00 0.00 O ATOM 616 CG2 THR A 41 18.043 42.972 -22.064 1.00 0.00 C ATOM 0 H THR A 41 16.737 41.408 -20.359 1.00 0.00 H new ATOM 0 HA THR A 41 18.994 39.876 -20.881 1.00 0.00 H new ATOM 0 HB THR A 41 17.530 40.949 -22.584 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.277 41.663 -23.937 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.797 43.366 -23.050 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.188 43.096 -21.400 1.00 0.00 H new ATOM 0 HG23 THR A 41 18.898 43.514 -21.660 1.00 0.00 H new ATOM 624 N ASN A 42 19.673 42.634 -19.337 1.00 0.00 N ATOM 625 CA ASN A 42 20.746 43.418 -18.734 1.00 0.00 C ATOM 626 C ASN A 42 21.318 42.713 -17.504 1.00 0.00 C ATOM 627 O ASN A 42 22.030 43.325 -16.707 1.00 0.00 O ATOM 628 CB ASN A 42 20.220 44.797 -18.332 1.00 0.00 C ATOM 629 CG ASN A 42 19.230 44.662 -17.180 1.00 0.00 C ATOM 630 OD1 ASN A 42 18.783 43.557 -16.871 1.00 0.00 O ATOM 631 ND2 ASN A 42 18.860 45.726 -16.521 1.00 0.00 N ATOM 0 H ASN A 42 18.736 42.877 -19.016 1.00 0.00 H new ATOM 0 HA ASN A 42 21.541 43.527 -19.472 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.049 45.440 -18.036 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.736 45.273 -19.185 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.199 45.643 -15.748 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.232 46.640 -16.779 1.00 0.00 H new ATOM 638 N VAL A 43 21.009 41.427 -17.353 1.00 0.00 N ATOM 639 CA VAL A 43 21.505 40.662 -16.214 1.00 0.00 C ATOM 640 C VAL A 43 22.815 39.956 -16.564 1.00 0.00 C ATOM 641 O VAL A 43 23.215 39.003 -15.896 1.00 0.00 O ATOM 642 CB VAL A 43 20.453 39.632 -15.788 1.00 0.00 C ATOM 643 CG1 VAL A 43 20.481 38.436 -16.745 1.00 0.00 C ATOM 644 CG2 VAL A 43 20.746 39.154 -14.360 1.00 0.00 C ATOM 0 H VAL A 43 20.423 40.898 -17.999 1.00 0.00 H new ATOM 0 HA VAL A 43 21.696 41.349 -15.389 1.00 0.00 H new ATOM 0 HB VAL A 43 19.467 40.095 -15.819 1.00 0.00 H new ATOM 0 HG11 VAL A 43 19.731 37.707 -16.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 20.264 38.775 -17.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 21.468 37.974 -16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 19.996 38.422 -14.060 1.00 0.00 H new ATOM 0 HG22 VAL A 43 21.735 38.696 -14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 43 20.716 40.004 -13.678 1.00 0.00 H new ATOM 654 N GLY A 44 23.484 40.430 -17.613 1.00 0.00 N ATOM 655 CA GLY A 44 24.747 39.832 -18.033 1.00 0.00 C ATOM 656 C GLY A 44 24.744 39.539 -19.531 1.00 0.00 C ATOM 657 O GLY A 44 25.802 39.414 -20.148 1.00 0.00 O ATOM 0 H GLY A 44 23.176 41.218 -18.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.570 40.505 -17.793 1.00 0.00 H new ATOM 0 HA3 GLY A 44 24.918 38.909 -17.479 1.00 0.00 H new ATOM 661 N SER A 45 23.552 39.430 -20.110 1.00 0.00 N ATOM 662 CA SER A 45 23.429 39.152 -21.536 1.00 0.00 C ATOM 663 C SER A 45 23.167 40.438 -22.314 1.00 0.00 C ATOM 664 O SER A 45 22.584 40.412 -23.397 1.00 0.00 O ATOM 665 CB SER A 45 22.287 38.165 -21.779 1.00 0.00 C ATOM 666 OG SER A 45 21.067 38.738 -21.325 1.00 0.00 O ATOM 0 H SER A 45 22.664 39.529 -19.618 1.00 0.00 H new ATOM 0 HA SER A 45 24.366 38.716 -21.883 1.00 0.00 H new ATOM 0 HB2 SER A 45 22.217 37.926 -22.840 1.00 0.00 H new ATOM 0 HB3 SER A 45 22.481 37.230 -21.253 1.00 0.00 H new ATOM 0 HG SER A 45 21.231 39.652 -21.012 1.00 0.00 H new ATOM 672 N ASN A 46 23.600 41.563 -21.753 1.00 0.00 N ATOM 673 CA ASN A 46 23.406 42.854 -22.403 1.00 0.00 C ATOM 674 C ASN A 46 24.188 42.932 -23.714 1.00 0.00 C ATOM 675 O ASN A 46 23.906 43.778 -24.563 1.00 0.00 O ATOM 676 CB ASN A 46 23.859 43.979 -21.472 1.00 0.00 C ATOM 677 CG ASN A 46 25.355 43.858 -21.198 1.00 0.00 C ATOM 678 OD1 ASN A 46 25.865 42.754 -21.010 1.00 0.00 O ATOM 679 ND2 ASN A 46 26.092 44.934 -21.166 1.00 0.00 N ATOM 0 H ASN A 46 24.084 41.607 -20.856 1.00 0.00 H new ATOM 0 HA ASN A 46 22.345 42.965 -22.625 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.641 44.947 -21.924 1.00 0.00 H new ATOM 0 HB3 ASN A 46 23.304 43.932 -20.535 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.093 44.861 -20.985 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.667 45.848 -21.322 1.00 0.00 H new ATOM 686 N THR A 47 25.172 42.050 -23.875 1.00 0.00 N ATOM 687 CA THR A 47 25.983 42.040 -25.088 1.00 0.00 C ATOM 688 C THR A 47 25.390 41.092 -26.128 1.00 0.00 C ATOM 689 O THR A 47 26.112 40.535 -26.955 1.00 0.00 O ATOM 690 CB THR A 47 27.412 41.604 -24.757 1.00 0.00 C ATOM 691 OG1 THR A 47 27.782 42.129 -23.489 1.00 0.00 O ATOM 692 CG2 THR A 47 28.368 42.129 -25.828 1.00 0.00 C ATOM 0 H THR A 47 25.425 41.340 -23.188 1.00 0.00 H new ATOM 0 HA THR A 47 25.995 43.049 -25.500 1.00 0.00 H new ATOM 0 HB THR A 47 27.464 40.516 -24.730 1.00 0.00 H new ATOM 0 HG1 THR A 47 28.696 41.850 -23.274 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.386 41.818 -25.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.082 41.726 -26.800 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.319 43.217 -25.858 1.00 0.00 H new ATOM 700 N TYR A 48 24.074 40.914 -26.081 1.00 0.00 N ATOM 701 CA TYR A 48 23.399 40.031 -27.026 1.00 0.00 C ATOM 702 C TYR A 48 22.946 40.801 -28.266 1.00 0.00 C ATOM 703 O TYR A 48 22.091 40.333 -29.018 1.00 0.00 O ATOM 704 CB TYR A 48 22.186 39.380 -26.354 1.00 0.00 C ATOM 705 CG TYR A 48 21.009 40.326 -26.399 1.00 0.00 C ATOM 706 CD1 TYR A 48 19.919 40.047 -27.233 1.00 0.00 C ATOM 707 CD2 TYR A 48 21.005 41.481 -25.607 1.00 0.00 C ATOM 708 CE1 TYR A 48 18.827 40.922 -27.276 1.00 0.00 C ATOM 709 CE2 TYR A 48 19.913 42.356 -25.650 1.00 0.00 C ATOM 710 CZ TYR A 48 18.825 42.077 -26.484 1.00 0.00 C ATOM 711 OH TYR A 48 17.748 42.939 -26.526 1.00 0.00 O ATOM 0 H TYR A 48 23.458 41.365 -25.405 1.00 0.00 H new ATOM 0 HA TYR A 48 24.104 39.260 -27.336 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.935 38.448 -26.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.423 39.128 -25.320 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.921 39.156 -27.843 1.00 0.00 H new ATOM 0 HD2 TYR A 48 21.845 41.697 -24.963 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.987 40.706 -27.919 1.00 0.00 H new ATOM 0 HE2 TYR A 48 19.911 43.247 -25.039 1.00 0.00 H new ATOM 0 HH TYR A 48 17.906 43.690 -25.916 1.00 0.00 H new ATOM 721 N GLY A 49 23.524 41.980 -28.480 1.00 0.00 N ATOM 722 CA GLY A 49 23.164 42.795 -29.635 1.00 0.00 C ATOM 723 C GLY A 49 23.311 42.003 -30.930 1.00 0.00 C ATOM 724 O GLY A 49 24.336 41.362 -31.165 1.00 0.00 O ATOM 0 H GLY A 49 24.236 42.389 -27.875 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.136 43.144 -29.532 1.00 0.00 H new ATOM 0 HA3 GLY A 49 23.799 43.680 -29.672 1.00 0.00 H new ATOM 728 N LYS A 50 22.279 42.052 -31.766 1.00 0.00 N ATOM 729 CA LYS A 50 22.301 41.336 -33.037 1.00 0.00 C ATOM 730 C LYS A 50 23.388 41.894 -33.950 1.00 0.00 C ATOM 731 O LYS A 50 24.045 41.148 -34.676 1.00 0.00 O ATOM 732 CB LYS A 50 20.941 41.456 -33.728 1.00 0.00 C ATOM 733 CG LYS A 50 19.905 40.630 -32.963 1.00 0.00 C ATOM 734 CD LYS A 50 18.608 40.559 -33.771 1.00 0.00 C ATOM 735 CE LYS A 50 17.927 41.929 -33.771 1.00 0.00 C ATOM 736 NZ LYS A 50 17.591 42.316 -32.371 1.00 0.00 N ATOM 0 H LYS A 50 21.422 42.576 -31.588 1.00 0.00 H new ATOM 0 HA LYS A 50 22.516 40.286 -32.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.632 42.501 -33.767 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.012 41.106 -34.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.288 39.626 -32.781 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.714 41.079 -31.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.821 40.248 -34.794 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.941 39.810 -33.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.585 42.674 -34.218 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.022 41.898 -34.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.784 42.972 -32.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.343 41.466 -31.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.412 42.781 -31.933 1.00 0.00 H new ATOM 750 N ARG A 51 23.567 43.211 -33.914 1.00 0.00 N ATOM 751 CA ARG A 51 24.573 43.859 -34.749 1.00 0.00 C ATOM 752 C ARG A 51 25.920 43.152 -34.621 1.00 0.00 C ATOM 753 O ARG A 51 26.736 43.182 -35.542 1.00 0.00 O ATOM 754 CB ARG A 51 24.718 45.332 -34.352 1.00 0.00 C ATOM 755 CG ARG A 51 25.266 45.437 -32.925 1.00 0.00 C ATOM 756 CD ARG A 51 25.448 46.910 -32.549 1.00 0.00 C ATOM 757 NE ARG A 51 24.150 47.546 -32.328 1.00 0.00 N ATOM 758 CZ ARG A 51 23.487 48.178 -33.302 1.00 0.00 C ATOM 759 NH1 ARG A 51 23.964 48.237 -34.520 1.00 0.00 N ATOM 760 NH2 ARG A 51 22.343 48.746 -33.034 1.00 0.00 N ATOM 0 H ARG A 51 23.033 43.846 -33.321 1.00 0.00 H new ATOM 0 HA ARG A 51 24.247 43.798 -35.787 1.00 0.00 H new ATOM 0 HB2 ARG A 51 25.387 45.840 -35.046 1.00 0.00 H new ATOM 0 HB3 ARG A 51 23.752 45.832 -34.417 1.00 0.00 H new ATOM 0 HG2 ARG A 51 24.582 44.955 -32.226 1.00 0.00 H new ATOM 0 HG3 ARG A 51 26.219 44.913 -32.852 1.00 0.00 H new ATOM 0 HD2 ARG A 51 26.056 46.989 -31.648 1.00 0.00 H new ATOM 0 HD3 ARG A 51 25.984 47.430 -33.342 1.00 0.00 H new ATOM 0 HE ARG A 51 23.735 47.506 -31.397 1.00 0.00 H new ATOM 0 HH11 ARG A 51 24.857 47.796 -34.740 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.443 48.724 -35.249 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.963 48.705 -32.089 1.00 0.00 H new ATOM 0 HH22 ARG A 51 21.829 49.231 -33.770 1.00 0.00 H new ATOM 774 N ASN A 52 26.147 42.517 -33.478 1.00 0.00 N ATOM 775 CA ASN A 52 27.398 41.806 -33.249 1.00 0.00 C ATOM 776 C ASN A 52 27.577 40.696 -34.280 1.00 0.00 C ATOM 777 O ASN A 52 28.674 40.479 -34.795 1.00 0.00 O ATOM 778 CB ASN A 52 27.403 41.200 -31.844 1.00 0.00 C ATOM 779 CG ASN A 52 28.720 40.472 -31.597 1.00 0.00 C ATOM 780 OD1 ASN A 52 29.772 41.104 -31.504 1.00 0.00 O ATOM 781 ND2 ASN A 52 28.725 39.172 -31.487 1.00 0.00 N ATOM 0 H ASN A 52 25.487 42.480 -32.701 1.00 0.00 H new ATOM 0 HA ASN A 52 28.221 42.515 -33.344 1.00 0.00 H new ATOM 0 HB2 ASN A 52 27.266 41.984 -31.100 1.00 0.00 H new ATOM 0 HB3 ASN A 52 26.569 40.507 -31.734 1.00 0.00 H new ATOM 0 HD21 ASN A 52 29.602 38.677 -31.324 1.00 0.00 H new ATOM 0 HD22 ASN A 52 27.852 38.650 -31.564 1.00 0.00 H new ATOM 788 N ALA A 53 26.486 39.995 -34.570 1.00 0.00 N ATOM 789 CA ALA A 53 26.520 38.903 -35.536 1.00 0.00 C ATOM 790 C ALA A 53 26.778 39.428 -36.946 1.00 0.00 C ATOM 791 O ALA A 53 27.573 38.859 -37.693 1.00 0.00 O ATOM 792 CB ALA A 53 25.193 38.142 -35.510 1.00 0.00 C ATOM 0 H ALA A 53 25.571 40.163 -34.152 1.00 0.00 H new ATOM 0 HA ALA A 53 27.334 38.232 -35.261 1.00 0.00 H new ATOM 0 HB1 ALA A 53 25.226 37.328 -36.234 1.00 0.00 H new ATOM 0 HB2 ALA A 53 25.027 37.734 -34.513 1.00 0.00 H new ATOM 0 HB3 ALA A 53 24.379 38.821 -35.764 1.00 0.00 H new ATOM 798 N VAL A 54 26.097 40.511 -37.307 1.00 0.00 N ATOM 799 CA VAL A 54 26.260 41.095 -38.635 1.00 0.00 C ATOM 800 C VAL A 54 27.620 41.776 -38.770 1.00 0.00 C ATOM 801 O VAL A 54 28.109 41.987 -39.881 1.00 0.00 O ATOM 802 CB VAL A 54 25.140 42.109 -38.899 1.00 0.00 C ATOM 803 CG1 VAL A 54 25.655 43.533 -38.673 1.00 0.00 C ATOM 804 CG2 VAL A 54 24.661 41.967 -40.346 1.00 0.00 C ATOM 0 H VAL A 54 25.433 40.999 -36.706 1.00 0.00 H new ATOM 0 HA VAL A 54 26.205 40.293 -39.371 1.00 0.00 H new ATOM 0 HB VAL A 54 24.314 41.916 -38.214 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.852 44.245 -38.863 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.996 43.637 -37.643 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.484 43.732 -39.352 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.865 42.686 -40.538 1.00 0.00 H new ATOM 0 HG22 VAL A 54 25.493 42.157 -41.025 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.284 40.957 -40.507 1.00 0.00 H new ATOM 814 N GLU A 55 28.228 42.120 -37.638 1.00 0.00 N ATOM 815 CA GLU A 55 29.529 42.777 -37.656 1.00 0.00 C ATOM 816 C GLU A 55 30.640 41.761 -37.904 1.00 0.00 C ATOM 817 O GLU A 55 31.407 41.888 -38.858 1.00 0.00 O ATOM 818 CB GLU A 55 29.774 43.492 -36.326 1.00 0.00 C ATOM 819 CG GLU A 55 30.891 44.522 -36.499 1.00 0.00 C ATOM 820 CD GLU A 55 32.249 43.828 -36.491 1.00 0.00 C ATOM 821 OE1 GLU A 55 32.353 42.779 -35.876 1.00 0.00 O ATOM 822 OE2 GLU A 55 33.166 44.355 -37.100 1.00 0.00 O ATOM 0 H GLU A 55 27.845 41.957 -36.707 1.00 0.00 H new ATOM 0 HA GLU A 55 29.534 43.507 -38.465 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.860 43.983 -35.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 30.047 42.769 -35.557 1.00 0.00 H new ATOM 0 HG2 GLU A 55 30.756 45.063 -37.436 1.00 0.00 H new ATOM 0 HG3 GLU A 55 30.845 45.258 -35.696 1.00 0.00 H new ATOM 829 N VAL A 56 30.723 40.755 -37.040 1.00 0.00 N ATOM 830 CA VAL A 56 31.749 39.730 -37.182 1.00 0.00 C ATOM 831 C VAL A 56 31.683 39.098 -38.569 1.00 0.00 C ATOM 832 O VAL A 56 32.711 38.762 -39.158 1.00 0.00 O ATOM 833 CB VAL A 56 31.570 38.651 -36.110 1.00 0.00 C ATOM 834 CG1 VAL A 56 30.221 37.956 -36.298 1.00 0.00 C ATOM 835 CG2 VAL A 56 32.694 37.621 -36.234 1.00 0.00 C ATOM 0 H VAL A 56 30.100 40.628 -36.243 1.00 0.00 H new ATOM 0 HA VAL A 56 32.725 40.199 -37.056 1.00 0.00 H new ATOM 0 HB VAL A 56 31.603 39.113 -35.123 1.00 0.00 H new ATOM 0 HG11 VAL A 56 30.097 37.189 -35.534 1.00 0.00 H new ATOM 0 HG12 VAL A 56 29.419 38.689 -36.210 1.00 0.00 H new ATOM 0 HG13 VAL A 56 30.184 37.494 -37.285 1.00 0.00 H new ATOM 0 HG21 VAL A 56 32.569 36.852 -35.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 32.659 37.162 -37.222 1.00 0.00 H new ATOM 0 HG23 VAL A 56 33.656 38.114 -36.097 1.00 0.00 H new ATOM 845 N LEU A 57 30.469 38.938 -39.087 1.00 0.00 N ATOM 846 CA LEU A 57 30.290 38.345 -40.408 1.00 0.00 C ATOM 847 C LEU A 57 31.059 39.150 -41.451 1.00 0.00 C ATOM 848 O LEU A 57 31.701 38.588 -42.338 1.00 0.00 O ATOM 849 CB LEU A 57 28.805 38.305 -40.777 1.00 0.00 C ATOM 850 CG LEU A 57 28.302 36.861 -40.720 1.00 0.00 C ATOM 851 CD1 LEU A 57 27.986 36.486 -39.271 1.00 0.00 C ATOM 852 CD2 LEU A 57 27.034 36.731 -41.568 1.00 0.00 C ATOM 0 H LEU A 57 29.604 39.207 -38.619 1.00 0.00 H new ATOM 0 HA LEU A 57 30.675 37.326 -40.386 1.00 0.00 H new ATOM 0 HB2 LEU A 57 28.232 38.928 -40.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 28.657 38.713 -41.777 1.00 0.00 H new ATOM 0 HG LEU A 57 29.071 36.193 -41.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 27.628 35.457 -39.231 1.00 0.00 H new ATOM 0 HD12 LEU A 57 28.888 36.580 -38.666 1.00 0.00 H new ATOM 0 HD13 LEU A 57 27.217 37.153 -38.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.674 35.703 -41.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.266 37.400 -41.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 27.258 36.998 -42.601 1.00 0.00 H new ATOM 864 N LYS A 58 30.991 40.472 -41.328 1.00 0.00 N ATOM 865 CA LYS A 58 31.687 41.359 -42.254 1.00 0.00 C ATOM 866 C LYS A 58 33.197 41.171 -42.142 1.00 0.00 C ATOM 867 O LYS A 58 33.923 41.304 -43.126 1.00 0.00 O ATOM 868 CB LYS A 58 31.333 42.816 -41.944 1.00 0.00 C ATOM 869 CG LYS A 58 29.889 43.095 -42.367 1.00 0.00 C ATOM 870 CD LYS A 58 29.826 43.278 -43.885 1.00 0.00 C ATOM 871 CE LYS A 58 28.419 43.722 -44.288 1.00 0.00 C ATOM 872 NZ LYS A 58 27.456 42.613 -44.033 1.00 0.00 N ATOM 0 H LYS A 58 30.463 40.951 -40.599 1.00 0.00 H new ATOM 0 HA LYS A 58 31.373 41.113 -43.269 1.00 0.00 H new ATOM 0 HB2 LYS A 58 31.455 43.012 -40.879 1.00 0.00 H new ATOM 0 HB3 LYS A 58 32.013 43.486 -42.471 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.244 42.270 -42.063 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.519 43.990 -41.867 1.00 0.00 H new ATOM 0 HD2 LYS A 58 30.558 44.020 -44.203 1.00 0.00 H new ATOM 0 HD3 LYS A 58 30.081 42.344 -44.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 28.129 44.607 -43.722 1.00 0.00 H new ATOM 0 HE3 LYS A 58 28.401 43.998 -45.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.547 42.831 -44.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.835 41.727 -44.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.313 42.506 -43.008 1.00 0.00 H new ATOM 886 N ARG A 59 33.661 40.868 -40.934 1.00 0.00 N ATOM 887 CA ARG A 59 35.087 40.669 -40.697 1.00 0.00 C ATOM 888 C ARG A 59 35.626 39.522 -41.549 1.00 0.00 C ATOM 889 O ARG A 59 36.780 39.544 -41.975 1.00 0.00 O ATOM 890 CB ARG A 59 35.334 40.365 -39.219 1.00 0.00 C ATOM 891 CG ARG A 59 36.835 40.428 -38.929 1.00 0.00 C ATOM 892 CD ARG A 59 37.182 39.449 -37.807 1.00 0.00 C ATOM 893 NE ARG A 59 38.581 39.602 -37.417 1.00 0.00 N ATOM 894 CZ ARG A 59 39.223 38.662 -36.721 1.00 0.00 C ATOM 895 NH1 ARG A 59 38.614 37.560 -36.361 1.00 0.00 N ATOM 896 NH2 ARG A 59 40.474 38.843 -36.395 1.00 0.00 N ATOM 0 H ARG A 59 33.074 40.755 -40.107 1.00 0.00 H new ATOM 0 HA ARG A 59 35.608 41.585 -40.974 1.00 0.00 H new ATOM 0 HB2 ARG A 59 34.802 41.083 -38.595 1.00 0.00 H new ATOM 0 HB3 ARG A 59 34.946 39.377 -38.970 1.00 0.00 H new ATOM 0 HG2 ARG A 59 37.400 40.182 -39.828 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.118 41.441 -38.642 1.00 0.00 H new ATOM 0 HD2 ARG A 59 36.536 39.627 -36.947 1.00 0.00 H new ATOM 0 HD3 ARG A 59 36.999 38.427 -38.137 1.00 0.00 H new ATOM 0 HE ARG A 59 39.081 40.450 -37.684 1.00 0.00 H new ATOM 0 HH11 ARG A 59 37.637 37.412 -36.613 1.00 0.00 H new ATOM 0 HH12 ARG A 59 39.117 36.850 -35.829 1.00 0.00 H new ATOM 0 HH21 ARG A 59 40.955 39.699 -36.672 1.00 0.00 H new ATOM 0 HH22 ARG A 59 40.971 38.129 -35.863 1.00 0.00 H new ATOM 910 N GLU A 60 34.786 38.520 -41.790 1.00 0.00 N ATOM 911 CA GLU A 60 35.196 37.370 -42.588 1.00 0.00 C ATOM 912 C GLU A 60 34.394 37.301 -43.885 1.00 0.00 C ATOM 913 O GLU A 60 33.487 36.480 -44.020 1.00 0.00 O ATOM 914 CB GLU A 60 34.985 36.081 -41.791 1.00 0.00 C ATOM 915 CG GLU A 60 35.861 36.105 -40.537 1.00 0.00 C ATOM 916 CD GLU A 60 37.330 35.974 -40.924 1.00 0.00 C ATOM 917 OE1 GLU A 60 37.593 35.585 -42.050 1.00 0.00 O ATOM 918 OE2 GLU A 60 38.171 36.265 -40.089 1.00 0.00 O ATOM 0 H GLU A 60 33.826 38.481 -41.448 1.00 0.00 H new ATOM 0 HA GLU A 60 36.252 37.481 -42.832 1.00 0.00 H new ATOM 0 HB2 GLU A 60 33.936 35.981 -41.512 1.00 0.00 H new ATOM 0 HB3 GLU A 60 35.235 35.216 -42.405 1.00 0.00 H new ATOM 0 HG2 GLU A 60 35.702 37.034 -39.990 1.00 0.00 H new ATOM 0 HG3 GLU A 60 35.578 35.290 -39.870 1.00 0.00 H new ATOM 925 N PRO A 61 34.713 38.141 -44.834 1.00 0.00 N ATOM 926 CA PRO A 61 34.010 38.176 -46.151 1.00 0.00 C ATOM 927 C PRO A 61 34.328 36.953 -47.011 1.00 0.00 C ATOM 928 O PRO A 61 33.661 36.700 -48.015 1.00 0.00 O ATOM 929 CB PRO A 61 34.532 39.456 -46.808 1.00 0.00 C ATOM 930 CG PRO A 61 35.857 39.717 -46.174 1.00 0.00 C ATOM 931 CD PRO A 61 35.781 39.151 -44.756 1.00 0.00 C ATOM 0 HA PRO A 61 32.926 38.162 -46.034 1.00 0.00 H new ATOM 0 HB2 PRO A 61 34.631 39.332 -47.886 1.00 0.00 H new ATOM 0 HB3 PRO A 61 33.848 40.288 -46.644 1.00 0.00 H new ATOM 0 HG2 PRO A 61 36.658 39.240 -46.739 1.00 0.00 H new ATOM 0 HG3 PRO A 61 36.073 40.785 -46.154 1.00 0.00 H new ATOM 0 HD2 PRO A 61 36.729 38.707 -44.452 1.00 0.00 H new ATOM 0 HD3 PRO A 61 35.544 39.927 -44.028 1.00 0.00 H new ATOM 939 N LEU A 62 35.350 36.200 -46.614 1.00 0.00 N ATOM 940 CA LEU A 62 35.749 35.012 -47.356 1.00 0.00 C ATOM 941 C LEU A 62 34.588 34.030 -47.466 1.00 0.00 C ATOM 942 O LEU A 62 34.394 33.395 -48.503 1.00 0.00 O ATOM 943 CB LEU A 62 36.924 34.333 -46.649 1.00 0.00 C ATOM 944 CG LEU A 62 37.486 33.222 -47.537 1.00 0.00 C ATOM 945 CD1 LEU A 62 38.388 33.832 -48.612 1.00 0.00 C ATOM 946 CD2 LEU A 62 38.301 32.250 -46.681 1.00 0.00 C ATOM 0 H LEU A 62 35.914 36.392 -45.786 1.00 0.00 H new ATOM 0 HA LEU A 62 36.048 35.316 -48.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 37.701 35.065 -46.430 1.00 0.00 H new ATOM 0 HB3 LEU A 62 36.597 33.919 -45.695 1.00 0.00 H new ATOM 0 HG LEU A 62 36.664 32.688 -48.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 38.788 33.039 -49.244 1.00 0.00 H new ATOM 0 HD12 LEU A 62 37.809 34.525 -49.222 1.00 0.00 H new ATOM 0 HD13 LEU A 62 39.210 34.367 -48.137 1.00 0.00 H new ATOM 0 HD21 LEU A 62 38.702 31.457 -47.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 39.122 32.785 -46.205 1.00 0.00 H new ATOM 0 HD23 LEU A 62 37.660 31.814 -45.915 1.00 0.00 H new ATOM 958 N ASN A 63 33.821 33.906 -46.388 1.00 0.00 N ATOM 959 CA ASN A 63 32.685 32.993 -46.375 1.00 0.00 C ATOM 960 C ASN A 63 31.508 33.591 -47.138 1.00 0.00 C ATOM 961 O ASN A 63 30.677 32.866 -47.685 1.00 0.00 O ATOM 962 CB ASN A 63 32.266 32.695 -44.934 1.00 0.00 C ATOM 963 CG ASN A 63 31.278 33.749 -44.447 1.00 0.00 C ATOM 964 OD1 ASN A 63 31.557 34.945 -44.521 1.00 0.00 O ATOM 965 ND2 ASN A 63 30.131 33.374 -43.949 1.00 0.00 N ATOM 0 H ASN A 63 33.964 34.421 -45.519 1.00 0.00 H new ATOM 0 HA ASN A 63 32.985 32.065 -46.862 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.812 31.706 -44.876 1.00 0.00 H new ATOM 0 HB3 ASN A 63 33.143 32.681 -44.287 1.00 0.00 H new ATOM 0 HD21 ASN A 63 29.465 34.073 -43.621 1.00 0.00 H new ATOM 0 HD22 ASN A 63 29.901 32.382 -43.888 1.00 0.00 H new ATOM 972 N TYR A 64 31.443 34.918 -47.170 1.00 0.00 N ATOM 973 CA TYR A 64 30.361 35.603 -47.869 1.00 0.00 C ATOM 974 C TYR A 64 30.592 35.570 -49.377 1.00 0.00 C ATOM 975 O TYR A 64 29.643 35.590 -50.160 1.00 0.00 O ATOM 976 CB TYR A 64 30.266 37.055 -47.395 1.00 0.00 C ATOM 977 CG TYR A 64 29.045 37.703 -48.000 1.00 0.00 C ATOM 978 CD1 TYR A 64 27.776 37.437 -47.472 1.00 0.00 C ATOM 979 CD2 TYR A 64 29.181 38.571 -49.091 1.00 0.00 C ATOM 980 CE1 TYR A 64 26.643 38.038 -48.033 1.00 0.00 C ATOM 981 CE2 TYR A 64 28.048 39.172 -49.652 1.00 0.00 C ATOM 982 CZ TYR A 64 26.779 38.906 -49.123 1.00 0.00 C ATOM 983 OH TYR A 64 25.663 39.499 -49.677 1.00 0.00 O ATOM 0 H TYR A 64 32.121 35.537 -46.724 1.00 0.00 H new ATOM 0 HA TYR A 64 29.427 35.088 -47.645 1.00 0.00 H new ATOM 0 HB2 TYR A 64 30.208 37.091 -46.307 1.00 0.00 H new ATOM 0 HB3 TYR A 64 31.163 37.603 -47.685 1.00 0.00 H new ATOM 0 HD1 TYR A 64 27.671 36.767 -46.631 1.00 0.00 H new ATOM 0 HD2 TYR A 64 30.160 38.776 -49.499 1.00 0.00 H new ATOM 0 HE1 TYR A 64 25.664 37.832 -47.625 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.153 39.841 -50.493 1.00 0.00 H new ATOM 0 HH TYR A 64 25.934 40.072 -50.424 1.00 0.00 H new ATOM 993 N LEU A 65 31.859 35.519 -49.774 1.00 0.00 N ATOM 994 CA LEU A 65 32.203 35.483 -51.191 1.00 0.00 C ATOM 995 C LEU A 65 31.882 34.109 -51.781 1.00 0.00 C ATOM 996 O LEU A 65 31.767 33.126 -51.048 1.00 0.00 O ATOM 997 CB LEU A 65 33.693 35.785 -51.371 1.00 0.00 C ATOM 998 CG LEU A 65 33.957 37.264 -51.077 1.00 0.00 C ATOM 999 CD1 LEU A 65 35.463 37.494 -50.933 1.00 0.00 C ATOM 1000 CD2 LEU A 65 33.421 38.118 -52.231 1.00 0.00 C ATOM 0 H LEU A 65 32.659 35.502 -49.141 1.00 0.00 H new ATOM 0 HA LEU A 65 31.615 36.237 -51.713 1.00 0.00 H new ATOM 0 HB2 LEU A 65 34.284 35.160 -50.702 1.00 0.00 H new ATOM 0 HB3 LEU A 65 34.003 35.545 -52.388 1.00 0.00 H new ATOM 0 HG LEU A 65 33.455 37.545 -50.151 1.00 0.00 H new ATOM 0 HD11 LEU A 65 35.652 38.547 -50.724 1.00 0.00 H new ATOM 0 HD12 LEU A 65 35.847 36.887 -50.114 1.00 0.00 H new ATOM 0 HD13 LEU A 65 35.964 37.213 -51.859 1.00 0.00 H new ATOM 0 HD21 LEU A 65 33.609 39.171 -52.022 1.00 0.00 H new ATOM 0 HD22 LEU A 65 33.924 37.836 -53.156 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.349 37.955 -52.337 1.00 0.00 H new ATOM 1012 N PRO A 66 31.735 34.019 -53.080 1.00 0.00 N ATOM 1013 CA PRO A 66 31.419 32.728 -53.762 1.00 0.00 C ATOM 1014 C PRO A 66 32.400 31.623 -53.380 1.00 0.00 C ATOM 1015 O PRO A 66 33.602 31.861 -53.260 1.00 0.00 O ATOM 1016 CB PRO A 66 31.530 33.061 -55.253 1.00 0.00 C ATOM 1017 CG PRO A 66 31.326 34.535 -55.347 1.00 0.00 C ATOM 1018 CD PRO A 66 31.850 35.129 -54.042 1.00 0.00 C ATOM 0 HA PRO A 66 30.437 32.349 -53.479 1.00 0.00 H new ATOM 0 HB2 PRO A 66 32.504 32.773 -55.648 1.00 0.00 H new ATOM 0 HB3 PRO A 66 30.780 32.523 -55.832 1.00 0.00 H new ATOM 0 HG2 PRO A 66 31.861 34.947 -56.203 1.00 0.00 H new ATOM 0 HG3 PRO A 66 30.271 34.773 -55.486 1.00 0.00 H new ATOM 0 HD2 PRO A 66 32.882 35.467 -54.142 1.00 0.00 H new ATOM 0 HD3 PRO A 66 31.261 35.992 -53.730 1.00 0.00 H new