USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 609 hydrogens (37 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -2.14 K(o=-8.8,f=-15!) USER MOD Set 1.2: A 70 ASN : amide:sc= -6.68! C(o=-8.8!,f=-11!) USER MOD Set 2.1: A 34 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.16) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 8 ASN : amide:sc= -0.748 K(o=-0.75,f=-4.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc=-0.00131 (180deg=-0.00542) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-0.2) USER MOD Single : A 46 ASN : amide:sc= -7.33! C(o=-7.3!,f=-7.9!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 52 THR OG1 : rot 123:sc= 0.758 USER MOD Single : A 57 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= -3.21! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.54 K(o=-1.5,f=-7!) USER MOD Single : A 74 GLN : amide:sc= -1.82 K(o=-1.8,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= 0.0494 K(o=0.049,f=-1.7!) USER MOD Single : A 78 NAG O3 : rot 153:sc= 0.0123 USER MOD Single : A 79 NAG O3 : rot 154:sc= 0.00795 USER MOD Single : A 79 NAG O4 : rot 140:sc= -0.034 USER MOD Single : A 79 NAG O6 : rot 27:sc= 0.344 USER MOD Single : A 80 FUC O2 : rot 149:sc= 0.0108 USER MOD Single : A 80 FUC O3 : rot -95:sc= 0.013 USER MOD Single : A 80 FUC O4 : rot -90:sc= 0.00313 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.933 -11.256 -5.208 1.00 0.00 N ATOM 2 CA LEU A 1 3.708 -10.149 -5.838 1.00 0.00 C ATOM 3 C LEU A 1 4.537 -9.431 -4.771 1.00 0.00 C ATOM 4 O LEU A 1 4.032 -9.029 -3.742 1.00 0.00 O ATOM 5 CB LEU A 1 2.743 -9.157 -6.490 1.00 0.00 C ATOM 6 CG LEU A 1 2.962 -9.151 -8.005 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.307 -10.388 -8.621 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.335 -7.891 -8.604 1.00 0.00 C ATOM 0 H1 LEU A 1 2.370 -11.743 -5.934 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.589 -11.932 -4.767 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.298 -10.866 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 1 4.374 -10.559 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.713 -9.432 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.903 -8.158 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 1 4.031 -9.163 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.463 -10.383 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.752 -11.286 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.238 -10.377 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.490 -7.885 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.266 -7.880 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.801 -7.009 -8.166 1.00 0.00 H new ATOM 22 N GLN A 2 5.809 -9.265 -5.011 1.00 0.00 N ATOM 23 CA GLN A 2 6.678 -8.573 -4.017 1.00 0.00 C ATOM 24 C GLN A 2 6.733 -7.082 -4.349 1.00 0.00 C ATOM 25 O GLN A 2 7.262 -6.690 -5.366 1.00 0.00 O ATOM 26 CB GLN A 2 8.088 -9.157 -4.092 1.00 0.00 C ATOM 27 CG GLN A 2 8.023 -10.677 -3.929 1.00 0.00 C ATOM 28 CD GLN A 2 9.406 -11.279 -4.189 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.565 -12.110 -5.062 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.420 -10.894 -3.464 1.00 0.00 N ATOM 0 H GLN A 2 6.286 -9.580 -5.856 1.00 0.00 H new ATOM 0 HA GLN A 2 6.274 -8.712 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.548 -8.903 -5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.714 -8.724 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.687 -10.931 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.296 -11.097 -4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.288 -10.197 -2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.345 -11.290 -3.630 1.00 0.00 H new ATOM 39 N CYS A 3 6.196 -6.245 -3.506 1.00 0.00 N ATOM 40 CA CYS A 3 6.230 -4.784 -3.803 1.00 0.00 C ATOM 41 C CYS A 3 6.626 -3.999 -2.554 1.00 0.00 C ATOM 42 O CYS A 3 6.649 -4.522 -1.458 1.00 0.00 O ATOM 43 CB CYS A 3 4.853 -4.328 -4.281 1.00 0.00 C ATOM 44 SG CYS A 3 4.765 -4.473 -6.082 1.00 0.00 S ATOM 0 H CYS A 3 5.739 -6.505 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 3 6.968 -4.599 -4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.075 -4.935 -3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.674 -3.296 -3.979 1.00 0.00 H new ATOM 49 N TYR A 4 6.938 -2.741 -2.716 1.00 0.00 N ATOM 50 CA TYR A 4 7.336 -1.910 -1.547 1.00 0.00 C ATOM 51 C TYR A 4 6.088 -1.469 -0.782 1.00 0.00 C ATOM 52 O TYR A 4 5.185 -0.874 -1.335 1.00 0.00 O ATOM 53 CB TYR A 4 8.095 -0.672 -2.033 1.00 0.00 C ATOM 54 CG TYR A 4 9.130 -1.080 -3.053 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.780 -1.173 -4.405 1.00 0.00 C ATOM 56 CD2 TYR A 4 10.439 -1.364 -2.647 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.739 -1.550 -5.352 1.00 0.00 C ATOM 58 CE2 TYR A 4 11.399 -1.741 -3.594 1.00 0.00 C ATOM 59 CZ TYR A 4 11.049 -1.833 -4.947 1.00 0.00 C ATOM 60 OH TYR A 4 11.995 -2.204 -5.881 1.00 0.00 O ATOM 0 H TYR A 4 6.934 -2.253 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 4 7.977 -2.497 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 4 7.400 0.044 -2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 4 8.576 -0.174 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.770 -0.954 -4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 4 10.709 -1.292 -1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.469 -1.623 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 4 12.409 -1.961 -3.281 1.00 0.00 H new ATOM 0 HH TYR A 4 12.852 -2.363 -5.433 1.00 0.00 H new ATOM 70 N ASN A 5 6.036 -1.751 0.489 1.00 0.00 N ATOM 71 CA ASN A 5 4.854 -1.346 1.298 1.00 0.00 C ATOM 72 C ASN A 5 5.309 -0.384 2.397 1.00 0.00 C ATOM 73 O ASN A 5 6.040 -0.754 3.294 1.00 0.00 O ATOM 74 CB ASN A 5 4.217 -2.585 1.930 1.00 0.00 C ATOM 75 CG ASN A 5 2.772 -2.274 2.324 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.530 -1.542 3.263 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.794 -2.802 1.640 1.00 0.00 N ATOM 0 H ASN A 5 6.764 -2.246 1.004 1.00 0.00 H new ATOM 0 HA ASN A 5 4.121 -0.854 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.242 -3.418 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.786 -2.891 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.827 -2.600 1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.997 -3.417 0.852 1.00 0.00 H new ATOM 84 N CYS A 6 4.893 0.851 2.330 1.00 0.00 N ATOM 85 CA CYS A 6 5.313 1.837 3.365 1.00 0.00 C ATOM 86 C CYS A 6 4.200 2.004 4.406 1.00 0.00 C ATOM 87 O CYS A 6 3.036 1.831 4.101 1.00 0.00 O ATOM 88 CB CYS A 6 5.588 3.185 2.698 1.00 0.00 C ATOM 89 SG CYS A 6 7.374 3.415 2.510 1.00 0.00 S ATOM 0 H CYS A 6 4.280 1.220 1.603 1.00 0.00 H new ATOM 0 HA CYS A 6 6.216 1.478 3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.101 3.226 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.168 3.992 3.299 1.00 0.00 H new ATOM 94 N PRO A 7 4.596 2.339 5.607 1.00 0.00 N ATOM 95 CA PRO A 7 3.661 2.546 6.728 1.00 0.00 C ATOM 96 C PRO A 7 2.995 3.921 6.620 1.00 0.00 C ATOM 97 O PRO A 7 2.096 4.247 7.370 1.00 0.00 O ATOM 98 CB PRO A 7 4.561 2.473 7.964 1.00 0.00 C ATOM 99 CG PRO A 7 5.994 2.801 7.480 1.00 0.00 C ATOM 100 CD PRO A 7 6.017 2.541 5.961 1.00 0.00 C ATOM 0 HA PRO A 7 2.852 1.816 6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.236 3.183 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.521 1.482 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.249 3.838 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.728 2.177 7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.447 3.383 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.617 1.665 5.716 1.00 0.00 H new ATOM 108 N ASN A 8 3.430 4.730 5.693 1.00 0.00 N ATOM 109 CA ASN A 8 2.824 6.083 5.538 1.00 0.00 C ATOM 110 C ASN A 8 2.888 6.509 4.070 1.00 0.00 C ATOM 111 O ASN A 8 3.616 5.929 3.289 1.00 0.00 O ATOM 112 CB ASN A 8 3.595 7.087 6.399 1.00 0.00 C ATOM 113 CG ASN A 8 2.755 7.460 7.622 1.00 0.00 C ATOM 114 OD1 ASN A 8 1.586 7.140 7.692 1.00 0.00 O ATOM 115 ND2 ASN A 8 3.306 8.129 8.598 1.00 0.00 N ATOM 0 H ASN A 8 4.179 4.512 5.036 1.00 0.00 H new ATOM 0 HA ASN A 8 1.783 6.054 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.546 6.657 6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.826 7.979 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.755 8.382 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.288 8.399 8.541 1.00 0.00 H new ATOM 122 N PRO A 9 2.117 7.513 3.739 1.00 0.00 N ATOM 123 CA PRO A 9 2.055 8.045 2.368 1.00 0.00 C ATOM 124 C PRO A 9 3.277 8.912 2.074 1.00 0.00 C ATOM 125 O PRO A 9 3.228 10.124 2.139 1.00 0.00 O ATOM 126 CB PRO A 9 0.771 8.878 2.361 1.00 0.00 C ATOM 127 CG PRO A 9 0.479 9.240 3.838 1.00 0.00 C ATOM 128 CD PRO A 9 1.237 8.212 4.700 1.00 0.00 C ATOM 0 HA PRO A 9 2.051 7.266 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.894 9.777 1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.056 8.315 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.811 10.254 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.591 9.203 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.813 8.699 5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.552 7.520 5.189 1.00 0.00 H new ATOM 136 N THR A 10 4.370 8.290 1.748 1.00 0.00 N ATOM 137 CA THR A 10 5.608 9.062 1.441 1.00 0.00 C ATOM 138 C THR A 10 5.804 9.118 -0.076 1.00 0.00 C ATOM 139 O THR A 10 5.106 8.465 -0.826 1.00 0.00 O ATOM 140 CB THR A 10 6.815 8.377 2.089 1.00 0.00 C ATOM 141 OG1 THR A 10 7.976 9.170 1.880 1.00 0.00 O ATOM 142 CG2 THR A 10 7.019 6.996 1.464 1.00 0.00 C ATOM 0 H THR A 10 4.463 7.277 1.680 1.00 0.00 H new ATOM 0 HA THR A 10 5.515 10.074 1.836 1.00 0.00 H new ATOM 0 HB THR A 10 6.638 8.265 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.749 8.734 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.878 6.511 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.129 6.388 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.196 7.103 0.394 1.00 0.00 H new ATOM 150 N ALA A 11 6.749 9.892 -0.536 1.00 0.00 N ATOM 151 CA ALA A 11 6.986 9.983 -2.004 1.00 0.00 C ATOM 152 C ALA A 11 8.367 9.418 -2.335 1.00 0.00 C ATOM 153 O ALA A 11 9.060 9.911 -3.203 1.00 0.00 O ATOM 154 CB ALA A 11 6.915 11.447 -2.443 1.00 0.00 C ATOM 0 H ALA A 11 7.366 10.464 0.040 1.00 0.00 H new ATOM 0 HA ALA A 11 6.224 9.409 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.088 11.514 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.930 11.850 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.676 12.022 -1.916 1.00 0.00 H new ATOM 160 N ASP A 12 8.774 8.386 -1.648 1.00 0.00 N ATOM 161 CA ASP A 12 10.110 7.787 -1.922 1.00 0.00 C ATOM 162 C ASP A 12 10.250 6.484 -1.130 1.00 0.00 C ATOM 163 O ASP A 12 11.278 6.208 -0.544 1.00 0.00 O ATOM 164 CB ASP A 12 11.204 8.767 -1.497 1.00 0.00 C ATOM 165 CG ASP A 12 11.600 9.638 -2.690 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.761 9.092 -3.769 1.00 0.00 O ATOM 167 OD2 ASP A 12 11.734 10.837 -2.506 1.00 0.00 O ATOM 0 H ASP A 12 8.238 7.932 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 12 10.208 7.578 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.848 9.393 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.072 8.221 -1.127 1.00 0.00 H new ATOM 172 N CYS A 13 9.219 5.684 -1.109 1.00 0.00 N ATOM 173 CA CYS A 13 9.284 4.400 -0.357 1.00 0.00 C ATOM 174 C CYS A 13 10.373 3.507 -0.955 1.00 0.00 C ATOM 175 O CYS A 13 10.521 3.410 -2.157 1.00 0.00 O ATOM 176 CB CYS A 13 7.933 3.688 -0.453 1.00 0.00 C ATOM 177 SG CYS A 13 7.831 2.405 0.820 1.00 0.00 S ATOM 0 H CYS A 13 8.333 5.865 -1.581 1.00 0.00 H new ATOM 0 HA CYS A 13 9.518 4.604 0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.122 4.406 -0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.814 3.244 -1.441 1.00 0.00 H new ATOM 182 N LYS A 14 11.134 2.851 -0.122 1.00 0.00 N ATOM 183 CA LYS A 14 12.212 1.961 -0.638 1.00 0.00 C ATOM 184 C LYS A 14 12.272 0.693 0.217 1.00 0.00 C ATOM 185 O LYS A 14 13.299 0.053 0.327 1.00 0.00 O ATOM 186 CB LYS A 14 13.554 2.691 -0.570 1.00 0.00 C ATOM 187 CG LYS A 14 14.215 2.670 -1.949 1.00 0.00 C ATOM 188 CD LYS A 14 14.985 3.973 -2.171 1.00 0.00 C ATOM 189 CE LYS A 14 16.356 3.661 -2.770 1.00 0.00 C ATOM 190 NZ LYS A 14 16.926 4.896 -3.378 1.00 0.00 N ATOM 0 H LYS A 14 11.056 2.893 0.894 1.00 0.00 H new ATOM 0 HA LYS A 14 12.001 1.693 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.405 3.720 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.203 2.214 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.892 1.819 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.458 2.547 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.426 4.629 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.102 4.504 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.024 3.282 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.266 2.880 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.859 4.684 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.291 5.239 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.026 5.629 -2.647 1.00 0.00 H new ATOM 204 N THR A 15 11.176 0.325 0.823 1.00 0.00 N ATOM 205 CA THR A 15 11.164 -0.901 1.670 1.00 0.00 C ATOM 206 C THR A 15 10.493 -2.041 0.902 1.00 0.00 C ATOM 207 O THR A 15 9.284 -2.130 0.836 1.00 0.00 O ATOM 208 CB THR A 15 10.384 -0.621 2.957 1.00 0.00 C ATOM 209 OG1 THR A 15 10.437 -1.764 3.799 1.00 0.00 O ATOM 210 CG2 THR A 15 8.928 -0.303 2.615 1.00 0.00 C ATOM 0 H THR A 15 10.287 0.822 0.768 1.00 0.00 H new ATOM 0 HA THR A 15 12.187 -1.184 1.920 1.00 0.00 H new ATOM 0 HB THR A 15 10.827 0.231 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.939 -1.586 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.374 -0.104 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.889 0.575 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.482 -1.153 2.099 1.00 0.00 H new ATOM 218 N ALA A 16 11.268 -2.913 0.316 1.00 0.00 N ATOM 219 CA ALA A 16 10.674 -4.043 -0.452 1.00 0.00 C ATOM 220 C ALA A 16 10.098 -5.081 0.516 1.00 0.00 C ATOM 221 O ALA A 16 10.736 -5.473 1.472 1.00 0.00 O ATOM 222 CB ALA A 16 11.754 -4.697 -1.316 1.00 0.00 C ATOM 0 H ALA A 16 12.288 -2.891 0.336 1.00 0.00 H new ATOM 0 HA ALA A 16 9.876 -3.663 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.319 -5.524 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.160 -3.961 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.553 -5.073 -0.677 1.00 0.00 H new ATOM 228 N VAL A 17 8.896 -5.529 0.271 1.00 0.00 N ATOM 229 CA VAL A 17 8.278 -6.543 1.171 1.00 0.00 C ATOM 230 C VAL A 17 7.215 -7.328 0.400 1.00 0.00 C ATOM 231 O VAL A 17 6.571 -6.810 -0.494 1.00 0.00 O ATOM 232 CB VAL A 17 7.628 -5.842 2.365 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.644 -4.787 1.861 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.880 -6.871 3.216 1.00 0.00 C ATOM 0 H VAL A 17 8.315 -5.236 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 17 9.048 -7.227 1.529 1.00 0.00 H new ATOM 0 HB VAL A 17 8.399 -5.363 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.180 -4.287 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.176 -4.054 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.873 -5.267 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.417 -6.372 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.109 -7.351 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.581 -7.625 3.575 1.00 0.00 H new ATOM 244 N ASN A 18 7.024 -8.573 0.739 1.00 0.00 N ATOM 245 CA ASN A 18 6.001 -9.391 0.028 1.00 0.00 C ATOM 246 C ASN A 18 4.623 -8.754 0.223 1.00 0.00 C ATOM 247 O ASN A 18 4.365 -8.103 1.217 1.00 0.00 O ATOM 248 CB ASN A 18 5.991 -10.808 0.606 1.00 0.00 C ATOM 249 CG ASN A 18 7.076 -11.651 -0.070 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.884 -12.179 -1.147 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.213 -11.780 0.556 1.00 0.00 N ATOM 0 H ASN A 18 7.532 -9.060 1.478 1.00 0.00 H new ATOM 0 HA ASN A 18 6.240 -9.433 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.162 -10.773 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.014 -11.266 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.352 -11.328 1.460 1.00 0.00 H new ATOM 257 N CYS A 19 3.734 -8.933 -0.715 1.00 0.00 N ATOM 258 CA CYS A 19 2.376 -8.335 -0.578 1.00 0.00 C ATOM 259 C CYS A 19 1.497 -9.249 0.278 1.00 0.00 C ATOM 260 O CYS A 19 1.567 -10.458 0.186 1.00 0.00 O ATOM 261 CB CYS A 19 1.746 -8.173 -1.962 1.00 0.00 C ATOM 262 SG CYS A 19 1.908 -6.453 -2.498 1.00 0.00 S ATOM 0 H CYS A 19 3.889 -9.467 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 19 2.458 -7.359 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.235 -8.836 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.694 -8.458 -1.931 1.00 0.00 H new ATOM 267 N SER A 20 0.668 -8.680 1.109 1.00 0.00 N ATOM 268 CA SER A 20 -0.215 -9.516 1.969 1.00 0.00 C ATOM 269 C SER A 20 -0.956 -10.533 1.100 1.00 0.00 C ATOM 270 O SER A 20 -0.751 -10.610 -0.095 1.00 0.00 O ATOM 271 CB SER A 20 -1.229 -8.619 2.681 1.00 0.00 C ATOM 272 OG SER A 20 -1.275 -8.965 4.058 1.00 0.00 O ATOM 0 H SER A 20 0.564 -7.672 1.229 1.00 0.00 H new ATOM 0 HA SER A 20 0.389 -10.041 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.949 -7.572 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.215 -8.737 2.231 1.00 0.00 H new ATOM 0 HG SER A 20 -1.923 -8.391 4.518 1.00 0.00 H new ATOM 278 N SER A 21 -1.817 -11.315 1.690 1.00 0.00 N ATOM 279 CA SER A 21 -2.571 -12.327 0.898 1.00 0.00 C ATOM 280 C SER A 21 -3.705 -11.636 0.140 1.00 0.00 C ATOM 281 O SER A 21 -3.942 -10.455 0.299 1.00 0.00 O ATOM 282 CB SER A 21 -3.155 -13.377 1.842 1.00 0.00 C ATOM 283 OG SER A 21 -2.102 -13.986 2.578 1.00 0.00 O ATOM 0 H SER A 21 -2.031 -11.297 2.687 1.00 0.00 H new ATOM 0 HA SER A 21 -1.900 -12.809 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.869 -12.913 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.700 -14.131 1.274 1.00 0.00 H new ATOM 0 HG SER A 21 -2.474 -14.659 3.186 1.00 0.00 H new ATOM 289 N ASP A 22 -4.411 -12.364 -0.683 1.00 0.00 N ATOM 290 CA ASP A 22 -5.530 -11.747 -1.447 1.00 0.00 C ATOM 291 C ASP A 22 -5.019 -10.518 -2.199 1.00 0.00 C ATOM 292 O ASP A 22 -5.728 -9.550 -2.385 1.00 0.00 O ATOM 293 CB ASP A 22 -6.640 -11.335 -0.479 1.00 0.00 C ATOM 294 CG ASP A 22 -7.317 -12.588 0.080 1.00 0.00 C ATOM 295 OD1 ASP A 22 -6.610 -13.441 0.591 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.531 -12.676 -0.015 1.00 0.00 O ATOM 0 H ASP A 22 -4.261 -13.358 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.924 -12.468 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.226 -10.738 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.372 -10.711 -0.992 1.00 0.00 H new ATOM 301 N PHE A 23 -3.790 -10.554 -2.635 1.00 0.00 N ATOM 302 CA PHE A 23 -3.224 -9.394 -3.380 1.00 0.00 C ATOM 303 C PHE A 23 -2.445 -9.907 -4.591 1.00 0.00 C ATOM 304 O PHE A 23 -1.457 -10.601 -4.456 1.00 0.00 O ATOM 305 CB PHE A 23 -2.280 -8.608 -2.467 1.00 0.00 C ATOM 306 CG PHE A 23 -3.085 -7.813 -1.468 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.081 -6.935 -1.911 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.832 -7.952 -0.098 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.825 -6.196 -0.984 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.576 -7.213 0.829 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.572 -6.334 0.387 1.00 0.00 C ATOM 0 H PHE A 23 -3.151 -11.339 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.034 -8.743 -3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.609 -9.291 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.657 -7.940 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.275 -6.828 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.063 -8.629 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.594 -5.519 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.382 -7.321 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.145 -5.763 1.102 1.00 0.00 H new ATOM 321 N ASP A 24 -2.882 -9.578 -5.775 1.00 0.00 N ATOM 322 CA ASP A 24 -2.163 -10.055 -6.988 1.00 0.00 C ATOM 323 C ASP A 24 -1.828 -8.866 -7.892 1.00 0.00 C ATOM 324 O ASP A 24 -1.187 -9.016 -8.914 1.00 0.00 O ATOM 325 CB ASP A 24 -3.050 -11.040 -7.751 1.00 0.00 C ATOM 326 CG ASP A 24 -2.663 -12.472 -7.377 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.780 -12.811 -6.212 1.00 0.00 O ATOM 328 OD2 ASP A 24 -2.254 -13.204 -8.263 1.00 0.00 O ATOM 0 H ASP A 24 -3.704 -9.001 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.240 -10.551 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.098 -10.861 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.937 -10.890 -8.825 1.00 0.00 H new ATOM 333 N ALA A 25 -2.253 -7.687 -7.528 1.00 0.00 N ATOM 334 CA ALA A 25 -1.955 -6.497 -8.376 1.00 0.00 C ATOM 335 C ALA A 25 -1.330 -5.396 -7.518 1.00 0.00 C ATOM 336 O ALA A 25 -1.979 -4.815 -6.672 1.00 0.00 O ATOM 337 CB ALA A 25 -3.252 -5.976 -9.000 1.00 0.00 C ATOM 0 H ALA A 25 -2.792 -7.496 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.258 -6.783 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.034 -5.106 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.699 -6.757 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.948 -5.693 -8.210 1.00 0.00 H new ATOM 343 N CYS A 26 -0.082 -5.090 -7.737 1.00 0.00 N ATOM 344 CA CYS A 26 0.560 -4.010 -6.936 1.00 0.00 C ATOM 345 C CYS A 26 -0.129 -2.694 -7.280 1.00 0.00 C ATOM 346 O CYS A 26 -0.534 -2.478 -8.403 1.00 0.00 O ATOM 347 CB CYS A 26 2.046 -3.925 -7.282 1.00 0.00 C ATOM 348 SG CYS A 26 2.936 -5.252 -6.432 1.00 0.00 S ATOM 0 H CYS A 26 0.518 -5.537 -8.430 1.00 0.00 H new ATOM 0 HA CYS A 26 0.463 -4.219 -5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.186 -4.010 -8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.445 -2.955 -6.985 1.00 0.00 H new ATOM 353 N LEU A 27 -0.295 -1.820 -6.330 1.00 0.00 N ATOM 354 CA LEU A 27 -0.990 -0.542 -6.637 1.00 0.00 C ATOM 355 C LEU A 27 -0.090 0.656 -6.334 1.00 0.00 C ATOM 356 O LEU A 27 0.512 0.756 -5.283 1.00 0.00 O ATOM 357 CB LEU A 27 -2.262 -0.456 -5.795 1.00 0.00 C ATOM 358 CG LEU A 27 -2.918 0.912 -5.977 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.074 0.792 -6.971 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.447 1.400 -4.626 1.00 0.00 C ATOM 0 H LEU A 27 0.016 -1.932 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.238 -0.520 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.956 -1.243 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.024 -0.617 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.187 1.624 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.544 1.767 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.694 0.440 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.809 0.083 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.916 2.376 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.181 0.690 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.621 1.482 -3.920 1.00 0.00 H new ATOM 372 N ILE A 28 -0.019 1.577 -7.255 1.00 0.00 N ATOM 373 CA ILE A 28 0.808 2.797 -7.051 1.00 0.00 C ATOM 374 C ILE A 28 -0.074 4.019 -7.322 1.00 0.00 C ATOM 375 O ILE A 28 -0.239 4.439 -8.450 1.00 0.00 O ATOM 376 CB ILE A 28 1.996 2.781 -8.020 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.595 4.186 -8.126 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.521 2.328 -9.401 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.167 4.601 -6.770 1.00 0.00 C ATOM 0 H ILE A 28 -0.505 1.534 -8.151 1.00 0.00 H new ATOM 0 HA ILE A 28 1.193 2.832 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 28 2.754 2.091 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.379 4.202 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.831 4.896 -8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.365 2.316 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.097 1.326 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.762 3.018 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.593 5.601 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.372 4.601 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.944 3.897 -6.472 1.00 0.00 H new ATOM 391 N THR A 29 -0.661 4.577 -6.299 1.00 0.00 N ATOM 392 CA THR A 29 -1.552 5.755 -6.501 1.00 0.00 C ATOM 393 C THR A 29 -0.771 7.053 -6.269 1.00 0.00 C ATOM 394 O THR A 29 0.140 7.110 -5.468 1.00 0.00 O ATOM 395 CB THR A 29 -2.725 5.673 -5.519 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.614 4.647 -5.936 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.468 7.009 -5.485 1.00 0.00 C ATOM 0 H THR A 29 -0.562 4.268 -5.332 1.00 0.00 H new ATOM 0 HA THR A 29 -1.929 5.751 -7.524 1.00 0.00 H new ATOM 0 HB THR A 29 -2.347 5.449 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.365 4.590 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.301 6.944 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.786 7.797 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.848 7.240 -6.480 1.00 0.00 H new ATOM 405 N LYS A 30 -1.131 8.095 -6.967 1.00 0.00 N ATOM 406 CA LYS A 30 -0.425 9.397 -6.798 1.00 0.00 C ATOM 407 C LYS A 30 -1.454 10.529 -6.824 1.00 0.00 C ATOM 408 O LYS A 30 -1.862 10.986 -7.874 1.00 0.00 O ATOM 409 CB LYS A 30 0.575 9.586 -7.941 1.00 0.00 C ATOM 410 CG LYS A 30 1.887 10.144 -7.387 1.00 0.00 C ATOM 411 CD LYS A 30 2.268 11.411 -8.156 1.00 0.00 C ATOM 412 CE LYS A 30 2.410 12.580 -7.180 1.00 0.00 C ATOM 413 NZ LYS A 30 2.892 13.784 -7.914 1.00 0.00 N ATOM 0 H LYS A 30 -1.888 8.101 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 30 0.109 9.408 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.755 8.634 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.165 10.266 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.780 10.368 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.678 9.399 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.204 11.256 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.507 11.638 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.452 12.790 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.110 12.321 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.989 14.579 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.815 13.580 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.209 14.034 -8.657 1.00 0.00 H new ATOM 427 N ALA A 31 -1.885 10.980 -5.679 1.00 0.00 N ATOM 428 CA ALA A 31 -2.896 12.076 -5.641 1.00 0.00 C ATOM 429 C ALA A 31 -2.194 13.435 -5.716 1.00 0.00 C ATOM 430 O ALA A 31 -2.511 14.348 -4.981 1.00 0.00 O ATOM 431 CB ALA A 31 -3.694 11.985 -4.340 1.00 0.00 C ATOM 0 H ALA A 31 -1.582 10.638 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.569 11.974 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.434 12.785 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.200 11.021 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.018 12.084 -3.491 1.00 0.00 H new ATOM 437 N GLY A 32 -1.244 13.577 -6.599 1.00 0.00 N ATOM 438 CA GLY A 32 -0.526 14.879 -6.722 1.00 0.00 C ATOM 439 C GLY A 32 -0.207 15.424 -5.330 1.00 0.00 C ATOM 440 O GLY A 32 -0.671 16.478 -4.943 1.00 0.00 O ATOM 0 H GLY A 32 -0.933 12.848 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.394 14.746 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.139 15.593 -7.271 1.00 0.00 H new ATOM 444 N LEU A 33 0.582 14.714 -4.572 1.00 0.00 N ATOM 445 CA LEU A 33 0.931 15.191 -3.203 1.00 0.00 C ATOM 446 C LEU A 33 1.555 14.041 -2.410 1.00 0.00 C ATOM 447 O LEU A 33 2.566 14.203 -1.754 1.00 0.00 O ATOM 448 CB LEU A 33 -0.335 15.675 -2.492 1.00 0.00 C ATOM 449 CG LEU A 33 -0.306 17.200 -2.370 1.00 0.00 C ATOM 450 CD1 LEU A 33 -1.727 17.753 -2.509 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.258 17.588 -1.001 1.00 0.00 C ATOM 0 H LEU A 33 1.001 13.824 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 33 1.643 16.014 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.219 15.362 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.404 15.222 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 33 0.323 17.615 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.705 18.839 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.132 17.475 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.357 17.339 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.280 18.674 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.373 17.172 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.270 17.195 -0.900 1.00 0.00 H new ATOM 463 N GLN A 34 0.963 12.880 -2.465 1.00 0.00 N ATOM 464 CA GLN A 34 1.524 11.719 -1.716 1.00 0.00 C ATOM 465 C GLN A 34 1.488 10.474 -2.604 1.00 0.00 C ATOM 466 O GLN A 34 0.476 10.149 -3.194 1.00 0.00 O ATOM 467 CB GLN A 34 0.688 11.470 -0.459 1.00 0.00 C ATOM 468 CG GLN A 34 0.756 12.697 0.451 1.00 0.00 C ATOM 469 CD GLN A 34 0.053 12.388 1.774 1.00 0.00 C ATOM 470 OE1 GLN A 34 0.520 12.774 2.827 1.00 0.00 O ATOM 471 NE2 GLN A 34 -1.058 11.703 1.764 1.00 0.00 N ATOM 0 H GLN A 34 0.115 12.684 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 34 2.554 11.935 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.347 11.264 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.059 10.592 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.795 12.971 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.282 13.550 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.450 11.379 0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.535 11.492 2.641 1.00 0.00 H new ATOM 480 N VAL A 35 2.583 9.772 -2.702 1.00 0.00 N ATOM 481 CA VAL A 35 2.607 8.548 -3.551 1.00 0.00 C ATOM 482 C VAL A 35 2.166 7.345 -2.716 1.00 0.00 C ATOM 483 O VAL A 35 2.976 6.643 -2.142 1.00 0.00 O ATOM 484 CB VAL A 35 4.025 8.317 -4.075 1.00 0.00 C ATOM 485 CG1 VAL A 35 4.095 6.957 -4.771 1.00 0.00 C ATOM 486 CG2 VAL A 35 4.382 9.420 -5.075 1.00 0.00 C ATOM 0 H VAL A 35 3.461 9.993 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 35 1.928 8.675 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 35 4.729 8.336 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.105 6.791 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.837 6.171 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.392 6.938 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.392 9.258 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.678 9.399 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.330 10.390 -4.581 1.00 0.00 H new ATOM 496 N TYR A 36 0.887 7.104 -2.641 1.00 0.00 N ATOM 497 CA TYR A 36 0.388 5.952 -1.841 1.00 0.00 C ATOM 498 C TYR A 36 1.061 4.663 -2.315 1.00 0.00 C ATOM 499 O TYR A 36 1.408 4.518 -3.469 1.00 0.00 O ATOM 500 CB TYR A 36 -1.125 5.827 -2.021 1.00 0.00 C ATOM 501 CG TYR A 36 -1.825 6.842 -1.152 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.107 8.119 -1.654 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.194 6.508 0.157 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.758 9.059 -0.847 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.844 7.448 0.963 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.127 8.725 0.462 1.00 0.00 C ATOM 507 OH TYR A 36 -3.768 9.652 1.257 1.00 0.00 O ATOM 0 H TYR A 36 0.164 7.657 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 36 0.622 6.116 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.391 5.984 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.451 4.821 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.822 8.378 -2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.976 5.524 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.976 10.043 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.128 7.189 1.972 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.954 9.258 2.135 1.00 0.00 H new ATOM 517 N ASN A 37 1.238 3.724 -1.428 1.00 0.00 N ATOM 518 CA ASN A 37 1.879 2.437 -1.817 1.00 0.00 C ATOM 519 C ASN A 37 1.201 1.298 -1.054 1.00 0.00 C ATOM 520 O ASN A 37 1.361 1.157 0.142 1.00 0.00 O ATOM 521 CB ASN A 37 3.368 2.480 -1.467 1.00 0.00 C ATOM 522 CG ASN A 37 4.146 3.082 -2.638 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.704 3.023 -3.769 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.292 3.664 -2.415 1.00 0.00 N ATOM 0 H ASN A 37 0.966 3.793 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 37 1.771 2.277 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.525 3.075 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.732 1.475 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.817 4.070 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.663 3.713 -1.466 1.00 0.00 H new ATOM 531 N LYS A 38 0.433 0.491 -1.732 1.00 0.00 N ATOM 532 CA LYS A 38 -0.265 -0.625 -1.036 1.00 0.00 C ATOM 533 C LYS A 38 -0.545 -1.764 -2.012 1.00 0.00 C ATOM 534 O LYS A 38 -0.583 -1.580 -3.215 1.00 0.00 O ATOM 535 CB LYS A 38 -1.595 -0.117 -0.473 1.00 0.00 C ATOM 536 CG LYS A 38 -2.184 0.925 -1.425 1.00 0.00 C ATOM 537 CD LYS A 38 -2.075 2.315 -0.796 1.00 0.00 C ATOM 538 CE LYS A 38 -2.734 2.303 0.585 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.747 2.748 1.610 1.00 0.00 N ATOM 0 H LYS A 38 0.259 0.556 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 38 0.371 -0.990 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.291 -0.947 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.442 0.321 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.654 0.903 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.228 0.691 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.028 2.605 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.558 3.054 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.603 2.961 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.092 1.301 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.178 2.692 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.909 2.133 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.464 3.730 1.417 1.00 0.00 H new ATOM 553 N CYS A 39 -0.769 -2.935 -1.493 1.00 0.00 N ATOM 554 CA CYS A 39 -1.082 -4.096 -2.367 1.00 0.00 C ATOM 555 C CYS A 39 -2.564 -4.026 -2.716 1.00 0.00 C ATOM 556 O CYS A 39 -3.404 -3.881 -1.849 1.00 0.00 O ATOM 557 CB CYS A 39 -0.786 -5.399 -1.620 1.00 0.00 C ATOM 558 SG CYS A 39 0.939 -5.401 -1.073 1.00 0.00 S ATOM 0 H CYS A 39 -0.749 -3.140 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.475 -4.070 -3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.451 -5.498 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.974 -6.254 -2.269 1.00 0.00 H new ATOM 563 N TRP A 40 -2.903 -4.089 -3.970 1.00 0.00 N ATOM 564 CA TRP A 40 -4.332 -3.984 -4.339 1.00 0.00 C ATOM 565 C TRP A 40 -4.731 -5.140 -5.259 1.00 0.00 C ATOM 566 O TRP A 40 -3.897 -5.813 -5.827 1.00 0.00 O ATOM 567 CB TRP A 40 -4.542 -2.653 -5.052 1.00 0.00 C ATOM 568 CG TRP A 40 -5.930 -2.180 -4.809 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.006 -2.588 -5.506 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.408 -1.230 -3.817 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.127 -1.944 -5.012 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.809 -1.095 -3.968 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.771 -0.476 -2.812 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.552 -0.242 -3.150 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.517 0.382 -1.988 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.904 0.498 -2.158 1.00 0.00 C ATOM 0 H TRP A 40 -2.255 -4.208 -4.749 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.952 -4.035 -3.444 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.826 -1.916 -4.689 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.367 -2.769 -6.122 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.997 -3.301 -6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.071 -2.079 -5.373 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.703 -0.558 -2.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.620 -0.155 -3.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.020 0.955 -1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.472 1.160 -1.521 1.00 0.00 H new ATOM 587 N LYS A 41 -6.007 -5.375 -5.402 1.00 0.00 N ATOM 588 CA LYS A 41 -6.467 -6.486 -6.279 1.00 0.00 C ATOM 589 C LYS A 41 -6.575 -5.990 -7.722 1.00 0.00 C ATOM 590 O LYS A 41 -6.661 -4.805 -7.979 1.00 0.00 O ATOM 591 CB LYS A 41 -7.838 -6.975 -5.803 1.00 0.00 C ATOM 592 CG LYS A 41 -7.742 -7.421 -4.343 1.00 0.00 C ATOM 593 CD LYS A 41 -8.023 -8.922 -4.246 1.00 0.00 C ATOM 594 CE LYS A 41 -6.956 -9.690 -5.027 1.00 0.00 C ATOM 595 NZ LYS A 41 -7.615 -10.626 -5.981 1.00 0.00 N ATOM 0 H LYS A 41 -6.751 -4.844 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.750 -7.306 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.575 -6.178 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.177 -7.803 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.750 -7.200 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.457 -6.867 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.022 -9.237 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.012 -9.145 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.315 -8.994 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.316 -10.244 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.889 -11.148 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.209 -11.298 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.207 -10.086 -6.644 1.00 0.00 H new ATOM 609 N PHE A 42 -6.575 -6.889 -8.666 1.00 0.00 N ATOM 610 CA PHE A 42 -6.681 -6.477 -10.092 1.00 0.00 C ATOM 611 C PHE A 42 -8.145 -6.199 -10.423 1.00 0.00 C ATOM 612 O PHE A 42 -8.458 -5.489 -11.357 1.00 0.00 O ATOM 613 CB PHE A 42 -6.157 -7.603 -10.987 1.00 0.00 C ATOM 614 CG PHE A 42 -6.064 -7.117 -12.414 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.208 -6.059 -12.740 1.00 0.00 C ATOM 616 CD2 PHE A 42 -6.832 -7.729 -13.413 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.118 -5.613 -14.064 1.00 0.00 C ATOM 618 CE2 PHE A 42 -6.743 -7.283 -14.738 1.00 0.00 C ATOM 619 CZ PHE A 42 -5.886 -6.225 -15.063 1.00 0.00 C ATOM 0 H PHE A 42 -6.506 -7.895 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.090 -5.577 -10.262 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.177 -7.931 -10.640 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.821 -8.466 -10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.617 -5.586 -11.970 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.493 -8.545 -13.162 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.456 -4.797 -14.315 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.335 -7.755 -15.508 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.817 -5.880 -16.084 1.00 0.00 H new ATOM 629 N GLU A 43 -9.046 -6.754 -9.662 1.00 0.00 N ATOM 630 CA GLU A 43 -10.488 -6.518 -9.935 1.00 0.00 C ATOM 631 C GLU A 43 -10.938 -5.254 -9.204 1.00 0.00 C ATOM 632 O GLU A 43 -11.878 -4.595 -9.604 1.00 0.00 O ATOM 633 CB GLU A 43 -11.309 -7.714 -9.449 1.00 0.00 C ATOM 634 CG GLU A 43 -12.461 -7.971 -10.423 1.00 0.00 C ATOM 635 CD GLU A 43 -11.897 -8.356 -11.792 1.00 0.00 C ATOM 636 OE1 GLU A 43 -11.150 -9.317 -11.854 1.00 0.00 O ATOM 637 OE2 GLU A 43 -12.224 -7.682 -12.756 1.00 0.00 O ATOM 0 H GLU A 43 -8.846 -7.359 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.640 -6.394 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.676 -8.598 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.700 -7.519 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.100 -8.768 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.082 -7.080 -10.512 1.00 0.00 H new ATOM 644 N HIS A 44 -10.270 -4.907 -8.140 1.00 0.00 N ATOM 645 CA HIS A 44 -10.655 -3.681 -7.389 1.00 0.00 C ATOM 646 C HIS A 44 -9.822 -2.500 -7.891 1.00 0.00 C ATOM 647 O HIS A 44 -9.883 -1.412 -7.353 1.00 0.00 O ATOM 648 CB HIS A 44 -10.394 -3.887 -5.896 1.00 0.00 C ATOM 649 CG HIS A 44 -11.227 -5.030 -5.389 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.295 -5.352 -4.043 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.033 -5.936 -6.033 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.116 -6.411 -3.920 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.593 -6.807 -5.103 1.00 0.00 N ATOM 0 H HIS A 44 -9.475 -5.419 -7.758 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.715 -3.478 -7.545 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.337 -4.092 -5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.635 -2.977 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.206 -5.968 -7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.359 -6.883 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.231 -7.582 -5.286 1.00 0.00 H new ATOM 661 N CYS A 45 -9.038 -2.703 -8.917 1.00 0.00 N ATOM 662 CA CYS A 45 -8.204 -1.587 -9.443 1.00 0.00 C ATOM 663 C CYS A 45 -8.961 -0.862 -10.556 1.00 0.00 C ATOM 664 O CYS A 45 -8.517 -0.800 -11.686 1.00 0.00 O ATOM 665 CB CYS A 45 -6.888 -2.141 -9.993 1.00 0.00 C ATOM 666 SG CYS A 45 -5.503 -1.269 -9.220 1.00 0.00 S ATOM 0 H CYS A 45 -8.940 -3.590 -9.411 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.990 -0.886 -8.636 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.818 -3.210 -9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.852 -2.017 -11.075 1.00 0.00 H new ATOM 671 N ASN A 46 -10.099 -0.310 -10.244 1.00 0.00 N ATOM 672 CA ASN A 46 -10.888 0.418 -11.277 1.00 0.00 C ATOM 673 C ASN A 46 -11.051 1.878 -10.848 1.00 0.00 C ATOM 674 O ASN A 46 -10.456 2.320 -9.885 1.00 0.00 O ATOM 675 CB ASN A 46 -12.269 -0.231 -11.418 1.00 0.00 C ATOM 676 CG ASN A 46 -12.713 -0.788 -10.064 1.00 0.00 C ATOM 677 OD1 ASN A 46 -13.574 -0.226 -9.416 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.159 -1.877 -9.606 1.00 0.00 N ATOM 0 H ASN A 46 -10.519 -0.331 -9.315 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.369 0.373 -12.234 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.992 0.502 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.233 -1.031 -12.158 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.449 -2.256 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.436 -2.349 -10.149 1.00 0.00 H new ATOM 685 N PHE A 47 -11.852 2.630 -11.551 1.00 0.00 N ATOM 686 CA PHE A 47 -12.047 4.058 -11.173 1.00 0.00 C ATOM 687 C PHE A 47 -13.229 4.169 -10.209 1.00 0.00 C ATOM 688 O PHE A 47 -14.186 4.875 -10.460 1.00 0.00 O ATOM 689 CB PHE A 47 -12.329 4.885 -12.431 1.00 0.00 C ATOM 690 CG PHE A 47 -11.439 6.104 -12.443 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.427 6.975 -11.347 1.00 0.00 C ATOM 692 CD2 PHE A 47 -10.626 6.366 -13.552 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.603 8.107 -11.359 1.00 0.00 C ATOM 694 CE2 PHE A 47 -9.801 7.497 -13.566 1.00 0.00 C ATOM 695 CZ PHE A 47 -9.790 8.368 -12.469 1.00 0.00 C ATOM 0 H PHE A 47 -12.378 2.319 -12.368 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.146 4.435 -10.688 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.151 4.283 -13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.376 5.186 -12.454 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.054 6.774 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.635 5.695 -14.398 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.594 8.778 -10.513 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.174 7.698 -14.422 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.154 9.241 -12.479 1.00 0.00 H new ATOM 705 N ASN A 48 -13.172 3.472 -9.106 1.00 0.00 N ATOM 706 CA ASN A 48 -14.291 3.532 -8.124 1.00 0.00 C ATOM 707 C ASN A 48 -13.985 2.606 -6.943 1.00 0.00 C ATOM 708 O ASN A 48 -14.366 2.872 -5.820 1.00 0.00 O ATOM 709 CB ASN A 48 -15.588 3.082 -8.800 1.00 0.00 C ATOM 710 CG ASN A 48 -16.780 3.766 -8.130 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.008 4.944 -8.324 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.558 3.073 -7.343 1.00 0.00 N ATOM 0 H ASN A 48 -12.397 2.863 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.403 4.555 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.562 3.331 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.690 1.999 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.356 3.520 -6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.368 2.084 -7.179 1.00 0.00 H new ATOM 719 N ASP A 49 -13.306 1.519 -7.185 1.00 0.00 N ATOM 720 CA ASP A 49 -12.983 0.579 -6.076 1.00 0.00 C ATOM 721 C ASP A 49 -11.779 1.099 -5.286 1.00 0.00 C ATOM 722 O ASP A 49 -11.534 0.685 -4.169 1.00 0.00 O ATOM 723 CB ASP A 49 -12.653 -0.797 -6.656 1.00 0.00 C ATOM 724 CG ASP A 49 -13.931 -1.633 -6.748 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.838 -1.216 -7.449 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.980 -2.675 -6.116 1.00 0.00 O ATOM 0 H ASP A 49 -12.961 1.241 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.843 0.501 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.205 -0.689 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.920 -1.302 -6.027 1.00 0.00 H new ATOM 731 N VAL A 50 -11.024 1.998 -5.854 1.00 0.00 N ATOM 732 CA VAL A 50 -9.837 2.535 -5.130 1.00 0.00 C ATOM 733 C VAL A 50 -10.171 3.904 -4.535 1.00 0.00 C ATOM 734 O VAL A 50 -9.860 4.187 -3.395 1.00 0.00 O ATOM 735 CB VAL A 50 -8.667 2.674 -6.106 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.496 3.367 -5.406 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.230 1.284 -6.574 1.00 0.00 C ATOM 0 H VAL A 50 -11.177 2.384 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.564 1.851 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.978 3.268 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.663 3.466 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.807 4.356 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.183 2.774 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.396 1.380 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.918 0.692 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.064 0.789 -7.072 1.00 0.00 H new ATOM 747 N THR A 51 -10.801 4.757 -5.295 1.00 0.00 N ATOM 748 CA THR A 51 -11.152 6.105 -4.766 1.00 0.00 C ATOM 749 C THR A 51 -12.177 5.959 -3.639 1.00 0.00 C ATOM 750 O THR A 51 -12.478 6.903 -2.935 1.00 0.00 O ATOM 751 CB THR A 51 -11.746 6.958 -5.890 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.687 6.185 -6.621 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.628 7.424 -6.825 1.00 0.00 C ATOM 0 H THR A 51 -11.087 4.579 -6.258 1.00 0.00 H new ATOM 0 HA THR A 51 -10.254 6.589 -4.381 1.00 0.00 H new ATOM 0 HB THR A 51 -12.244 7.828 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.070 6.730 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.052 8.031 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.907 8.017 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.128 6.556 -7.255 1.00 0.00 H new ATOM 761 N THR A 52 -12.716 4.783 -3.462 1.00 0.00 N ATOM 762 CA THR A 52 -13.720 4.576 -2.385 1.00 0.00 C ATOM 763 C THR A 52 -13.047 3.927 -1.174 1.00 0.00 C ATOM 764 O THR A 52 -13.255 4.331 -0.048 1.00 0.00 O ATOM 765 CB THR A 52 -14.823 3.656 -2.901 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.321 4.158 -4.133 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.955 3.594 -1.880 1.00 0.00 C ATOM 0 H THR A 52 -12.502 3.956 -4.020 1.00 0.00 H new ATOM 0 HA THR A 52 -14.144 5.536 -2.092 1.00 0.00 H new ATOM 0 HB THR A 52 -14.419 2.655 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.227 3.473 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.742 2.937 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.572 3.207 -0.936 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.360 4.594 -1.725 1.00 0.00 H new ATOM 775 N ARG A 53 -12.245 2.922 -1.397 1.00 0.00 N ATOM 776 CA ARG A 53 -11.564 2.249 -0.257 1.00 0.00 C ATOM 777 C ARG A 53 -10.676 3.257 0.467 1.00 0.00 C ATOM 778 O ARG A 53 -10.648 3.321 1.679 1.00 0.00 O ATOM 779 CB ARG A 53 -10.706 1.098 -0.783 1.00 0.00 C ATOM 780 CG ARG A 53 -11.474 -0.218 -0.638 1.00 0.00 C ATOM 781 CD ARG A 53 -10.673 -1.179 0.243 1.00 0.00 C ATOM 782 NE ARG A 53 -11.098 -1.022 1.662 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.426 -1.610 2.613 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.263 -1.143 2.977 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.920 -2.665 3.202 1.00 0.00 N ATOM 0 H ARG A 53 -12.033 2.539 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.310 1.857 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.450 1.269 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.768 1.047 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.454 -0.034 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.644 -0.662 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.831 -2.207 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.607 -0.975 0.147 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.914 -0.455 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.879 -0.317 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.739 -1.604 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.830 -3.028 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.396 -3.126 3.946 1.00 0.00 H new ATOM 799 N LEU A 54 -9.949 4.051 -0.269 1.00 0.00 N ATOM 800 CA LEU A 54 -9.065 5.058 0.372 1.00 0.00 C ATOM 801 C LEU A 54 -9.904 6.258 0.808 1.00 0.00 C ATOM 802 O LEU A 54 -9.443 7.120 1.530 1.00 0.00 O ATOM 803 CB LEU A 54 -8.004 5.508 -0.632 1.00 0.00 C ATOM 804 CG LEU A 54 -7.290 4.279 -1.189 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.498 4.667 -2.438 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.337 3.722 -0.131 1.00 0.00 C ATOM 0 H LEU A 54 -9.931 4.044 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.577 4.622 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.467 6.072 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.287 6.173 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.027 3.520 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.989 3.788 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.178 5.063 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.761 5.427 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.826 2.844 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.601 4.482 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.903 3.442 0.757 1.00 0.00 H new ATOM 818 N ARG A 55 -11.133 6.322 0.376 1.00 0.00 N ATOM 819 CA ARG A 55 -12.001 7.466 0.766 1.00 0.00 C ATOM 820 C ARG A 55 -11.490 8.738 0.091 1.00 0.00 C ATOM 821 O ARG A 55 -11.595 9.824 0.625 1.00 0.00 O ATOM 822 CB ARG A 55 -11.972 7.647 2.286 1.00 0.00 C ATOM 823 CG ARG A 55 -11.992 6.279 2.975 1.00 0.00 C ATOM 824 CD ARG A 55 -10.839 6.198 3.978 1.00 0.00 C ATOM 825 NE ARG A 55 -11.322 6.619 5.323 1.00 0.00 N ATOM 826 CZ ARG A 55 -12.307 5.980 5.893 1.00 0.00 C ATOM 827 NH1 ARG A 55 -12.171 4.722 6.213 1.00 0.00 N ATOM 828 NH2 ARG A 55 -13.427 6.599 6.146 1.00 0.00 N ATOM 0 H ARG A 55 -11.573 5.630 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.025 7.267 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.078 8.198 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.830 8.238 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.944 6.130 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.900 5.485 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.451 5.180 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.018 6.839 3.657 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.883 7.407 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.295 4.238 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.941 4.223 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.533 7.583 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.197 6.099 6.591 1.00 0.00 H new ATOM 842 N GLU A 56 -10.938 8.610 -1.082 1.00 0.00 N ATOM 843 CA GLU A 56 -10.418 9.808 -1.800 1.00 0.00 C ATOM 844 C GLU A 56 -11.086 9.902 -3.172 1.00 0.00 C ATOM 845 O GLU A 56 -12.151 9.361 -3.390 1.00 0.00 O ATOM 846 CB GLU A 56 -8.903 9.679 -1.976 1.00 0.00 C ATOM 847 CG GLU A 56 -8.223 10.964 -1.498 1.00 0.00 C ATOM 848 CD GLU A 56 -6.744 10.687 -1.221 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.433 9.572 -0.835 1.00 0.00 O ATOM 850 OE2 GLU A 56 -5.948 11.593 -1.399 1.00 0.00 O ATOM 0 H GLU A 56 -10.824 7.725 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.640 10.706 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.532 8.826 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.662 9.495 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.323 11.743 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.710 11.332 -0.595 1.00 0.00 H new ATOM 857 N ASN A 57 -10.473 10.582 -4.101 1.00 0.00 N ATOM 858 CA ASN A 57 -11.083 10.704 -5.455 1.00 0.00 C ATOM 859 C ASN A 57 -10.016 11.130 -6.465 1.00 0.00 C ATOM 860 O ASN A 57 -9.546 10.340 -7.258 1.00 0.00 O ATOM 861 CB ASN A 57 -12.199 11.750 -5.417 1.00 0.00 C ATOM 862 CG ASN A 57 -13.481 11.149 -5.997 1.00 0.00 C ATOM 863 OD1 ASN A 57 -13.857 11.452 -7.112 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.173 10.303 -5.284 1.00 0.00 N ATOM 0 H ASN A 57 -9.578 11.057 -3.982 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.496 9.741 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.370 12.078 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.906 12.631 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.029 9.897 -5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.858 10.048 -4.348 1.00 0.00 H new ATOM 871 N GLU A 58 -9.634 12.378 -6.445 1.00 0.00 N ATOM 872 CA GLU A 58 -8.601 12.856 -7.407 1.00 0.00 C ATOM 873 C GLU A 58 -7.306 12.066 -7.207 1.00 0.00 C ATOM 874 O GLU A 58 -6.557 12.308 -6.281 1.00 0.00 O ATOM 875 CB GLU A 58 -8.331 14.343 -7.166 1.00 0.00 C ATOM 876 CG GLU A 58 -9.237 15.180 -8.071 1.00 0.00 C ATOM 877 CD GLU A 58 -8.467 15.588 -9.328 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.292 15.267 -9.409 1.00 0.00 O ATOM 879 OE2 GLU A 58 -9.064 16.213 -10.188 1.00 0.00 O ATOM 0 H GLU A 58 -9.992 13.087 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.961 12.709 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.514 14.592 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.285 14.571 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.124 14.608 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.581 16.067 -7.539 1.00 0.00 H new ATOM 886 N LEU A 59 -7.034 11.125 -8.070 1.00 0.00 N ATOM 887 CA LEU A 59 -5.785 10.324 -7.929 1.00 0.00 C ATOM 888 C LEU A 59 -5.609 9.430 -9.159 1.00 0.00 C ATOM 889 O LEU A 59 -6.543 9.180 -9.896 1.00 0.00 O ATOM 890 CB LEU A 59 -5.871 9.455 -6.671 1.00 0.00 C ATOM 891 CG LEU A 59 -6.838 8.295 -6.913 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.065 7.095 -7.466 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.505 7.906 -5.593 1.00 0.00 C ATOM 0 H LEU A 59 -7.622 10.877 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.931 10.997 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.884 9.071 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.210 10.054 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.600 8.599 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.753 6.267 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.587 7.372 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.304 6.790 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.195 7.079 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.743 7.601 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.054 8.760 -5.197 1.00 0.00 H new ATOM 905 N THR A 60 -4.419 8.946 -9.386 1.00 0.00 N ATOM 906 CA THR A 60 -4.184 8.067 -10.568 1.00 0.00 C ATOM 907 C THR A 60 -3.628 6.722 -10.096 1.00 0.00 C ATOM 908 O THR A 60 -2.432 6.522 -10.030 1.00 0.00 O ATOM 909 CB THR A 60 -3.180 8.736 -11.509 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.218 9.448 -10.742 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.915 9.702 -12.436 1.00 0.00 C ATOM 0 H THR A 60 -3.599 9.121 -8.805 1.00 0.00 H new ATOM 0 HA THR A 60 -5.123 7.906 -11.097 1.00 0.00 H new ATOM 0 HB THR A 60 -2.677 7.976 -12.107 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.573 9.876 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.200 10.178 -13.106 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.652 9.154 -13.023 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.419 10.464 -11.842 1.00 0.00 H new ATOM 919 N TYR A 61 -4.489 5.799 -9.763 1.00 0.00 N ATOM 920 CA TYR A 61 -4.011 4.469 -9.290 1.00 0.00 C ATOM 921 C TYR A 61 -3.515 3.643 -10.481 1.00 0.00 C ATOM 922 O TYR A 61 -4.179 3.535 -11.493 1.00 0.00 O ATOM 923 CB TYR A 61 -5.161 3.732 -8.600 1.00 0.00 C ATOM 924 CG TYR A 61 -6.167 3.284 -9.633 1.00 0.00 C ATOM 925 CD1 TYR A 61 -5.965 2.088 -10.334 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.302 4.063 -9.890 1.00 0.00 C ATOM 927 CE1 TYR A 61 -6.897 1.672 -11.292 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.234 3.646 -10.849 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.032 2.451 -11.549 1.00 0.00 C ATOM 930 OH TYR A 61 -8.951 2.041 -12.493 1.00 0.00 O ATOM 0 H TYR A 61 -5.502 5.909 -9.798 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.192 4.610 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.778 2.871 -8.053 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.640 4.386 -7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.090 1.487 -10.135 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.459 4.985 -9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.741 0.750 -11.833 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.109 4.247 -11.048 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.556 1.338 -13.050 1.00 0.00 H new ATOM 940 N TYR A 62 -2.354 3.058 -10.365 1.00 0.00 N ATOM 941 CA TYR A 62 -1.815 2.236 -11.487 1.00 0.00 C ATOM 942 C TYR A 62 -1.484 0.833 -10.974 1.00 0.00 C ATOM 943 O TYR A 62 -0.528 0.636 -10.248 1.00 0.00 O ATOM 944 CB TYR A 62 -0.546 2.894 -12.036 1.00 0.00 C ATOM 945 CG TYR A 62 0.016 2.057 -13.161 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.533 2.150 -14.445 1.00 0.00 C ATOM 947 CD2 TYR A 62 1.089 1.191 -12.920 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.010 1.377 -15.489 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.614 0.418 -13.964 1.00 0.00 C ATOM 950 CZ TYR A 62 1.064 0.511 -15.248 1.00 0.00 C ATOM 951 OH TYR A 62 1.583 -0.250 -16.277 1.00 0.00 O ATOM 0 H TYR A 62 -1.755 3.113 -9.541 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.559 2.167 -12.280 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.772 3.898 -12.395 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.194 2.998 -11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.361 2.818 -14.631 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.512 1.119 -11.929 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.435 1.449 -16.479 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.443 -0.249 -13.778 1.00 0.00 H new ATOM 0 HH TYR A 62 2.324 -0.795 -15.939 1.00 0.00 H new ATOM 961 N CYS A 63 -2.270 -0.145 -11.338 1.00 0.00 N ATOM 962 CA CYS A 63 -2.001 -1.533 -10.866 1.00 0.00 C ATOM 963 C CYS A 63 -0.921 -2.173 -11.738 1.00 0.00 C ATOM 964 O CYS A 63 -0.731 -1.804 -12.880 1.00 0.00 O ATOM 965 CB CYS A 63 -3.284 -2.362 -10.958 1.00 0.00 C ATOM 966 SG CYS A 63 -3.976 -2.589 -9.301 1.00 0.00 S ATOM 0 H CYS A 63 -3.086 -0.042 -11.941 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.660 -1.501 -9.831 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.008 -1.861 -11.601 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.072 -3.330 -11.411 1.00 0.00 H new ATOM 971 N CYS A 64 -0.212 -3.132 -11.208 1.00 0.00 N ATOM 972 CA CYS A 64 0.854 -3.799 -12.006 1.00 0.00 C ATOM 973 C CYS A 64 0.930 -5.279 -11.623 1.00 0.00 C ATOM 974 O CYS A 64 0.276 -5.724 -10.701 1.00 0.00 O ATOM 975 CB CYS A 64 2.200 -3.130 -11.721 1.00 0.00 C ATOM 976 SG CYS A 64 3.221 -3.160 -13.215 1.00 0.00 S ATOM 0 H CYS A 64 -0.325 -3.482 -10.257 1.00 0.00 H new ATOM 0 HA CYS A 64 0.621 -3.710 -13.067 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.045 -2.102 -11.395 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.710 -3.648 -10.909 1.00 0.00 H new ATOM 981 N LYS A 65 1.724 -6.046 -12.321 1.00 0.00 N ATOM 982 CA LYS A 65 1.836 -7.495 -11.991 1.00 0.00 C ATOM 983 C LYS A 65 3.304 -7.927 -12.059 1.00 0.00 C ATOM 984 O LYS A 65 3.618 -9.009 -12.512 1.00 0.00 O ATOM 985 CB LYS A 65 1.021 -8.311 -12.996 1.00 0.00 C ATOM 986 CG LYS A 65 -0.457 -7.931 -12.887 1.00 0.00 C ATOM 987 CD LYS A 65 -1.056 -7.802 -14.289 1.00 0.00 C ATOM 988 CE LYS A 65 -0.470 -6.570 -14.983 1.00 0.00 C ATOM 989 NZ LYS A 65 -0.074 -6.923 -16.376 1.00 0.00 N ATOM 0 H LYS A 65 2.298 -5.732 -13.103 1.00 0.00 H new ATOM 0 HA LYS A 65 1.454 -7.666 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.381 -8.125 -14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.148 -9.376 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.997 -8.688 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.563 -6.990 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.841 -8.698 -14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.141 -7.716 -14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.203 -5.764 -14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.395 -6.205 -14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.324 -6.085 -16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.640 -7.679 -16.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.909 -7.251 -16.902 1.00 0.00 H new ATOM 1003 N LYS A 66 4.204 -7.093 -11.614 1.00 0.00 N ATOM 1004 CA LYS A 66 5.646 -7.467 -11.659 1.00 0.00 C ATOM 1005 C LYS A 66 6.268 -7.294 -10.270 1.00 0.00 C ATOM 1006 O LYS A 66 6.040 -6.310 -9.595 1.00 0.00 O ATOM 1007 CB LYS A 66 6.377 -6.570 -12.661 1.00 0.00 C ATOM 1008 CG LYS A 66 7.042 -7.439 -13.731 1.00 0.00 C ATOM 1009 CD LYS A 66 8.350 -6.785 -14.184 1.00 0.00 C ATOM 1010 CE LYS A 66 8.500 -6.941 -15.699 1.00 0.00 C ATOM 1011 NZ LYS A 66 8.768 -5.610 -16.312 1.00 0.00 N ATOM 0 H LYS A 66 4.004 -6.172 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 66 5.738 -8.508 -11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.675 -5.877 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.127 -5.969 -12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.240 -8.435 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.372 -7.563 -14.582 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.354 -5.729 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.196 -7.247 -13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.315 -7.628 -15.925 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.593 -7.372 -16.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.870 -5.716 -17.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.976 -4.968 -16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.645 -5.216 -15.916 1.00 0.00 H new ATOM 1025 N ASP A 67 7.054 -8.245 -9.843 1.00 0.00 N ATOM 1026 CA ASP A 67 7.696 -8.141 -8.502 1.00 0.00 C ATOM 1027 C ASP A 67 8.270 -6.735 -8.321 1.00 0.00 C ATOM 1028 O ASP A 67 9.352 -6.434 -8.781 1.00 0.00 O ATOM 1029 CB ASP A 67 8.822 -9.172 -8.395 1.00 0.00 C ATOM 1030 CG ASP A 67 8.231 -10.581 -8.471 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.101 -10.751 -8.044 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.918 -11.466 -8.953 1.00 0.00 O ATOM 0 H ASP A 67 7.279 -9.091 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 67 6.954 -8.333 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.543 -9.024 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.361 -9.042 -7.456 1.00 0.00 H new ATOM 1037 N LEU A 68 7.547 -5.878 -7.653 1.00 0.00 N ATOM 1038 CA LEU A 68 8.030 -4.486 -7.426 1.00 0.00 C ATOM 1039 C LEU A 68 7.794 -3.651 -8.685 1.00 0.00 C ATOM 1040 O LEU A 68 8.718 -3.271 -9.376 1.00 0.00 O ATOM 1041 CB LEU A 68 9.522 -4.490 -7.078 1.00 0.00 C ATOM 1042 CG LEU A 68 9.799 -5.553 -6.011 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.278 -5.943 -6.050 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.460 -4.986 -4.629 1.00 0.00 C ATOM 0 H LEU A 68 6.633 -6.085 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 68 7.478 -4.051 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.113 -4.694 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.823 -3.508 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 68 9.186 -6.433 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.475 -6.700 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.523 -6.344 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.891 -5.064 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.656 -5.741 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.075 -4.107 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.407 -4.706 -4.599 1.00 0.00 H new ATOM 1056 N CYS A 69 6.558 -3.358 -8.981 1.00 0.00 N ATOM 1057 CA CYS A 69 6.244 -2.542 -10.185 1.00 0.00 C ATOM 1058 C CYS A 69 5.420 -1.324 -9.757 1.00 0.00 C ATOM 1059 O CYS A 69 4.885 -0.599 -10.573 1.00 0.00 O ATOM 1060 CB CYS A 69 5.440 -3.393 -11.173 1.00 0.00 C ATOM 1061 SG CYS A 69 4.997 -2.400 -12.620 1.00 0.00 S ATOM 0 H CYS A 69 5.747 -3.651 -8.436 1.00 0.00 H new ATOM 0 HA CYS A 69 7.164 -2.209 -10.664 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.025 -4.259 -11.481 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.539 -3.772 -10.691 1.00 0.00 H new ATOM 1066 N ASN A 70 5.314 -1.096 -8.475 1.00 0.00 N ATOM 1067 CA ASN A 70 4.528 0.068 -7.979 1.00 0.00 C ATOM 1068 C ASN A 70 5.496 1.187 -7.560 1.00 0.00 C ATOM 1069 O ASN A 70 5.091 2.212 -7.049 1.00 0.00 O ATOM 1070 CB ASN A 70 3.658 -0.399 -6.791 1.00 0.00 C ATOM 1071 CG ASN A 70 3.692 0.608 -5.635 1.00 0.00 C ATOM 1072 OD1 ASN A 70 2.804 1.426 -5.497 1.00 0.00 O ATOM 1073 ND2 ASN A 70 4.690 0.581 -4.794 1.00 0.00 N ATOM 0 H ASN A 70 5.741 -1.670 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 70 3.875 0.460 -8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.629 -0.536 -7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.011 -1.369 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.724 1.246 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.436 -0.105 -4.909 1.00 0.00 H new ATOM 1080 N PHE A 71 6.770 0.997 -7.776 1.00 0.00 N ATOM 1081 CA PHE A 71 7.755 2.046 -7.393 1.00 0.00 C ATOM 1082 C PHE A 71 7.321 3.391 -7.976 1.00 0.00 C ATOM 1083 O PHE A 71 6.310 3.494 -8.641 1.00 0.00 O ATOM 1084 CB PHE A 71 9.131 1.672 -7.945 1.00 0.00 C ATOM 1085 CG PHE A 71 8.973 1.082 -9.325 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.531 1.887 -10.383 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.266 -0.267 -9.549 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.382 1.342 -11.664 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.117 -0.813 -10.830 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.675 -0.009 -11.887 1.00 0.00 C ATOM 0 H PHE A 71 7.170 0.160 -8.201 1.00 0.00 H new ATOM 0 HA PHE A 71 7.804 2.121 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.771 2.553 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.618 0.955 -7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.305 2.929 -10.210 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.607 -0.888 -8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.041 1.963 -12.479 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.343 -1.855 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.560 -0.431 -12.875 1.00 0.00 H new ATOM 1100 N ASN A 72 8.082 4.426 -7.736 1.00 0.00 N ATOM 1101 CA ASN A 72 7.715 5.763 -8.281 1.00 0.00 C ATOM 1102 C ASN A 72 8.335 5.926 -9.669 1.00 0.00 C ATOM 1103 O ASN A 72 9.180 6.770 -9.889 1.00 0.00 O ATOM 1104 CB ASN A 72 8.241 6.859 -7.350 1.00 0.00 C ATOM 1105 CG ASN A 72 9.768 6.799 -7.297 1.00 0.00 C ATOM 1106 OD1 ASN A 72 10.371 5.878 -7.814 1.00 0.00 O ATOM 1107 ND2 ASN A 72 10.426 7.750 -6.693 1.00 0.00 N ATOM 0 H ASN A 72 8.941 4.402 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 72 6.630 5.845 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.918 7.838 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.827 6.730 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.445 7.720 -6.655 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.922 8.523 -6.259 1.00 0.00 H new ATOM 1114 N GLU A 73 7.922 5.119 -10.606 1.00 0.00 N ATOM 1115 CA GLU A 73 8.486 5.217 -11.980 1.00 0.00 C ATOM 1116 C GLU A 73 7.496 4.614 -12.978 1.00 0.00 C ATOM 1117 O GLU A 73 7.844 3.765 -13.774 1.00 0.00 O ATOM 1118 CB GLU A 73 9.805 4.445 -12.044 1.00 0.00 C ATOM 1119 CG GLU A 73 10.348 4.474 -13.473 1.00 0.00 C ATOM 1120 CD GLU A 73 10.613 3.044 -13.946 1.00 0.00 C ATOM 1121 OE1 GLU A 73 9.659 2.292 -14.059 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.766 2.725 -14.183 1.00 0.00 O ATOM 0 H GLU A 73 7.216 4.394 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 73 8.664 6.263 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.530 4.886 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.651 3.415 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.633 4.961 -14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.268 5.058 -13.512 1.00 0.00 H new ATOM 1129 N GLN A 74 6.263 5.040 -12.940 1.00 0.00 N ATOM 1130 CA GLN A 74 5.257 4.482 -13.886 1.00 0.00 C ATOM 1131 C GLN A 74 4.066 5.436 -13.993 1.00 0.00 C ATOM 1132 O GLN A 74 2.962 5.031 -14.298 1.00 0.00 O ATOM 1133 CB GLN A 74 4.780 3.124 -13.368 1.00 0.00 C ATOM 1134 CG GLN A 74 4.611 2.158 -14.542 1.00 0.00 C ATOM 1135 CD GLN A 74 5.687 1.074 -14.468 1.00 0.00 C ATOM 1136 OE1 GLN A 74 6.838 1.359 -14.200 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.360 -0.169 -14.695 1.00 0.00 N ATOM 0 H GLN A 74 5.910 5.748 -12.297 1.00 0.00 H new ATOM 0 HA GLN A 74 5.709 4.362 -14.871 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.499 2.723 -12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.834 3.237 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.620 1.705 -14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.688 2.698 -15.486 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.395 -0.409 -14.920 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.070 -0.900 -14.647 1.00 0.00 H new ATOM 1146 N LEU A 75 4.279 6.700 -13.747 1.00 0.00 N ATOM 1147 CA LEU A 75 3.155 7.674 -13.837 1.00 0.00 C ATOM 1148 C LEU A 75 3.688 9.025 -14.322 1.00 0.00 C ATOM 1149 O LEU A 75 3.074 10.053 -14.119 1.00 0.00 O ATOM 1150 CB LEU A 75 2.512 7.843 -12.458 1.00 0.00 C ATOM 1151 CG LEU A 75 1.473 6.743 -12.241 1.00 0.00 C ATOM 1152 CD1 LEU A 75 1.586 6.207 -10.812 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.071 7.317 -12.459 1.00 0.00 C ATOM 0 H LEU A 75 5.181 7.099 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 75 2.410 7.304 -14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.275 7.795 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.041 8.823 -12.382 1.00 0.00 H new ATOM 0 HG LEU A 75 1.650 5.932 -12.948 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.845 5.423 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.584 5.799 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.409 7.017 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.671 6.534 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.104 8.127 -11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.011 7.699 -13.476 1.00 0.00 H new ATOM 1165 N GLU A 76 4.826 9.030 -14.962 1.00 0.00 N ATOM 1166 CA GLU A 76 5.396 10.315 -15.457 1.00 0.00 C ATOM 1167 C GLU A 76 5.552 10.254 -16.978 1.00 0.00 C ATOM 1168 O GLU A 76 6.612 9.957 -17.491 1.00 0.00 O ATOM 1169 CB GLU A 76 6.764 10.548 -14.813 1.00 0.00 C ATOM 1170 CG GLU A 76 6.689 11.757 -13.879 1.00 0.00 C ATOM 1171 CD GLU A 76 6.809 13.043 -14.697 1.00 0.00 C ATOM 1172 OE1 GLU A 76 6.196 13.111 -15.750 1.00 0.00 O ATOM 1173 OE2 GLU A 76 7.509 13.940 -14.257 1.00 0.00 O ATOM 0 H GLU A 76 5.385 8.201 -15.163 1.00 0.00 H new ATOM 0 HA GLU A 76 4.726 11.134 -15.194 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.071 9.663 -14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.517 10.716 -15.583 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.747 11.749 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.488 11.708 -13.139 1.00 0.00 H new ATOM 1180 N ASN A 77 4.503 10.533 -17.704 1.00 0.00 N ATOM 1181 CA ASN A 77 4.593 10.492 -19.191 1.00 0.00 C ATOM 1182 C ASN A 77 5.106 11.837 -19.710 1.00 0.00 C ATOM 1183 O ASN A 77 5.649 12.589 -18.917 1.00 0.00 O ATOM 1184 CB ASN A 77 3.207 10.214 -19.779 1.00 0.00 C ATOM 1185 CG ASN A 77 2.324 11.451 -19.613 1.00 0.00 C ATOM 1186 OD1 ASN A 77 1.931 11.788 -18.514 1.00 0.00 O ATOM 1187 ND2 ASN A 77 1.992 12.147 -20.666 1.00 0.00 N ATOM 1188 OXT ASN A 77 4.947 12.093 -20.893 1.00 0.00 O ATOM 0 H ASN A 77 3.588 10.787 -17.331 1.00 0.00 H new ATOM 0 HA ASN A 77 5.281 9.701 -19.491 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.293 9.955 -20.834 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.752 9.360 -19.277 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.403 12.974 -20.566 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.322 11.864 -21.589 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 9.280 -12.572 -0.027 1.00 0.00 C HETATM 1197 C2 NAG A 78 10.626 -11.984 0.376 1.00 0.00 C HETATM 1198 C3 NAG A 78 11.731 -12.819 -0.242 1.00 0.00 C HETATM 1199 C4 NAG A 78 11.586 -14.243 0.256 1.00 0.00 C HETATM 1200 C5 NAG A 78 10.213 -14.769 -0.156 1.00 0.00 C HETATM 1201 C6 NAG A 78 9.962 -16.192 0.300 1.00 0.00 C HETATM 1202 C7 NAG A 78 10.565 -9.630 0.765 1.00 0.00 C HETATM 1203 C8 NAG A 78 10.689 -8.218 0.220 1.00 0.00 C HETATM 1204 N2 NAG A 78 10.730 -10.612 -0.077 1.00 0.00 N HETATM 1205 O3 NAG A 78 12.999 -12.294 0.122 1.00 0.00 O HETATM 1206 O4 NAG A 78 12.629 -15.068 -0.309 1.00 0.00 O HETATM 1207 O5 NAG A 78 9.177 -13.936 0.414 1.00 0.00 O HETATM 1208 O6 NAG A 78 10.183 -17.104 -0.793 1.00 0.00 O HETATM 1209 O7 NAG A 78 10.323 -9.840 1.937 1.00 0.00 O HETATM 0 HO3 NAG A 78 13.666 -13.012 0.109 1.00 0.00 H new HETATM 0 HN2 NAG A 78 10.933 -10.414 -1.057 1.00 0.00 H new HETATM 0 H83 NAG A 78 11.685 -8.076 -0.199 1.00 0.00 H new HETATM 0 H82 NAG A 78 9.942 -8.061 -0.558 1.00 0.00 H new HETATM 0 H81 NAG A 78 10.529 -7.502 1.026 1.00 0.00 H new HETATM 0 H62 NAG A 78 10.624 -16.439 1.130 1.00 0.00 H new HETATM 0 H61 NAG A 78 8.940 -16.291 0.666 1.00 0.00 H new HETATM 0 H5 NAG A 78 10.193 -14.748 -1.246 1.00 0.00 H new HETATM 0 H4 NAG A 78 11.676 -14.270 1.342 1.00 0.00 H new HETATM 0 H3 NAG A 78 11.656 -12.798 -1.329 1.00 0.00 H new HETATM 0 H2 NAG A 78 10.718 -11.996 1.462 1.00 0.00 H new HETATM 1222 C1 NAG A 79 13.338 -15.890 0.561 1.00 0.00 C HETATM 1223 C2 NAG A 79 14.807 -15.912 0.159 1.00 0.00 C HETATM 1224 C3 NAG A 79 15.564 -16.801 1.130 1.00 0.00 C HETATM 1225 C4 NAG A 79 15.385 -16.236 2.528 1.00 0.00 C HETATM 1226 C5 NAG A 79 13.897 -16.207 2.862 1.00 0.00 C HETATM 1227 C6 NAG A 79 13.607 -15.641 4.238 1.00 0.00 C HETATM 1228 C7 NAG A 79 14.639 -15.649 -2.207 1.00 0.00 C HETATM 1229 C8 NAG A 79 14.810 -16.231 -3.600 1.00 0.00 C HETATM 1230 N2 NAG A 79 14.948 -16.412 -1.195 1.00 0.00 N HETATM 1231 O3 NAG A 79 16.942 -16.835 0.785 1.00 0.00 O HETATM 1232 O4 NAG A 79 16.082 -17.041 3.468 1.00 0.00 O HETATM 1233 O5 NAG A 79 13.191 -15.390 1.900 1.00 0.00 O HETATM 1234 O6 NAG A 79 13.463 -14.229 4.195 1.00 0.00 O HETATM 1235 O7 NAG A 79 14.232 -14.516 -2.039 1.00 0.00 O HETATM 0 HO6 NAG A 79 13.158 -13.958 3.304 1.00 0.00 H new HETATM 0 HO4 NAG A 79 16.515 -16.466 4.134 1.00 0.00 H new HETATM 0 HO3 NAG A 79 17.475 -17.029 1.584 1.00 0.00 H new HETATM 0 HN2 NAG A 79 15.289 -17.360 -1.356 1.00 0.00 H new HETATM 0 H83 NAG A 79 15.853 -16.506 -3.754 1.00 0.00 H new HETATM 0 H82 NAG A 79 14.183 -17.116 -3.704 1.00 0.00 H new HETATM 0 H81 NAG A 79 14.517 -15.489 -4.343 1.00 0.00 H new HETATM 0 H62 NAG A 79 12.696 -16.090 4.634 1.00 0.00 H new HETATM 0 H61 NAG A 79 14.415 -15.906 4.920 1.00 0.00 H new HETATM 0 H5 NAG A 79 13.563 -17.244 2.835 1.00 0.00 H new HETATM 0 H4 NAG A 79 15.789 -15.224 2.572 1.00 0.00 H new HETATM 0 H3 NAG A 79 15.178 -17.820 1.088 1.00 0.00 H new HETATM 0 H2 NAG A 79 15.214 -14.901 0.192 1.00 0.00 H new HETATM 1250 C1 FUC A 80 10.360 -18.417 -0.344 1.00 0.00 C HETATM 1251 C2 FUC A 80 9.183 -19.263 -0.811 1.00 0.00 C HETATM 1252 C3 FUC A 80 9.182 -19.311 -2.331 1.00 0.00 C HETATM 1253 C4 FUC A 80 10.503 -19.911 -2.785 1.00 0.00 C HETATM 1254 C5 FUC A 80 11.644 -19.042 -2.266 1.00 0.00 C HETATM 1255 C6 FUC A 80 13.014 -19.573 -2.642 1.00 0.00 C HETATM 1256 O2 FUC A 80 7.967 -18.701 -0.341 1.00 0.00 O HETATM 1257 O3 FUC A 80 8.093 -20.098 -2.794 1.00 0.00 O HETATM 1258 O4 FUC A 80 10.630 -21.236 -2.287 1.00 0.00 O HETATM 1259 O5 FUC A 80 11.582 -18.973 -0.826 1.00 0.00 O HETATM 0 HO4 FUC A 80 11.075 -21.216 -1.414 1.00 0.00 H new HETATM 0 HO3 FUC A 80 8.397 -21.016 -2.953 1.00 0.00 H new HETATM 0 HO2 FUC A 80 7.249 -18.896 -0.979 1.00 0.00 H new HETATM 0 H63 FUC A 80 13.144 -20.572 -2.225 1.00 0.00 H new HETATM 0 H62 FUC A 80 13.101 -19.618 -3.728 1.00 0.00 H new HETATM 0 H61 FUC A 80 13.783 -18.911 -2.244 1.00 0.00 H new HETATM 0 H5 FUC A 80 11.518 -18.062 -2.726 1.00 0.00 H new HETATM 0 H4 FUC A 80 10.538 -19.946 -3.874 1.00 0.00 H new HETATM 0 H3 FUC A 80 9.069 -18.308 -2.741 1.00 0.00 H new HETATM 0 H2 FUC A 80 9.276 -20.274 -0.413 1.00 0.00 H new