USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 618 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 69 ASN : amide:sc= -0.101 K(o=0.95,f=-2.8!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -177:sc= 1.05 (180deg=0.8) USER MOD Set 2.1: A 10 TYR OH : rot -131:sc= 0.647 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -3.87! C(o=-3.2!,f=-7.9!) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 0.511 (180deg=0.431) USER MOD Single : A 5 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.0048) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -112:sc= 1.16 USER MOD Single : A 23 CYS SG : rot 69:sc= 0.0933 USER MOD Single : A 24 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.17) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0.0432 USER MOD Single : A 28 SER OG : rot 59:sc= -0.0559 USER MOD Single : A 29 SER OG : rot -77:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -1.4! (180deg=-2.66!) USER MOD Single : A 38 THR OG1 : rot -26:sc= 1.29 USER MOD Single : A 43 MET CE :methyl -176:sc= -0.0921 (180deg=-0.157) USER MOD Single : A 44 THR OG1 : rot -8:sc= -0.284 USER MOD Single : A 46 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-7.1!) USER MOD Single : A 48 SER OG : rot -122:sc= 1.35 USER MOD Single : A 50 SER OG : rot -37:sc= 1.19 USER MOD Single : A 54 TYR OH : rot 130:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 0.017 (180deg=-0.548) USER MOD Single : A 63 SER OG : rot 103:sc= 1.25 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 70 THR OG1 : rot -97:sc= 0.755 USER MOD Single : A 73 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.469 K(o=-0.47,f=-4.6!) USER MOD Single : A 80 LYS NZ :NH3+ 147:sc= 0.204 (180deg=-2.75!) USER MOD Single : A 81 SER OG : rot 57:sc= 0.247 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.45 (180deg=1.3) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.991 2.469 10.224 1.00 0.00 N ATOM 36 CA LEU A 3 -1.274 3.366 9.365 1.00 0.00 C ATOM 37 C LEU A 3 0.103 2.795 9.238 1.00 0.00 C ATOM 38 O LEU A 3 0.370 2.048 8.312 1.00 0.00 O ATOM 39 CB LEU A 3 -1.317 4.811 9.868 1.00 0.00 C ATOM 40 CG LEU A 3 -2.079 5.548 8.776 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.510 6.954 9.164 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.211 5.687 7.514 1.00 0.00 C ATOM 0 HA LEU A 3 -1.733 3.440 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.823 4.886 10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.315 5.219 10.003 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.969 4.944 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.047 7.412 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.163 6.907 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.630 7.552 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.771 6.216 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.307 6.247 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.939 4.697 7.149 1.00 0.00 H new ATOM 54 N LYS A 4 0.871 3.030 10.291 1.00 0.00 N ATOM 55 CA LYS A 4 2.207 2.558 10.613 1.00 0.00 C ATOM 56 C LYS A 4 3.188 3.677 10.330 1.00 0.00 C ATOM 57 O LYS A 4 2.835 4.734 9.813 1.00 0.00 O ATOM 58 CB LYS A 4 2.523 1.196 9.989 1.00 0.00 C ATOM 59 CG LYS A 4 1.488 0.153 10.476 1.00 0.00 C ATOM 60 CD LYS A 4 1.863 -0.422 11.848 1.00 0.00 C ATOM 61 CE LYS A 4 1.152 -1.714 12.258 1.00 0.00 C ATOM 62 NZ LYS A 4 -0.291 -1.739 11.961 1.00 0.00 N ATOM 0 H LYS A 4 0.525 3.635 11.035 1.00 0.00 H new ATOM 0 HA LYS A 4 2.292 2.331 11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.499 1.268 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.529 0.882 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.503 0.617 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.418 -0.656 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.938 -0.604 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.659 0.336 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.629 -2.553 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.292 -1.867 13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.734 -2.537 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.726 -0.849 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.433 -1.848 10.936 1.00 0.00 H new ATOM 76 N HIS A 5 4.393 3.479 10.835 1.00 0.00 N ATOM 77 CA HIS A 5 5.464 4.474 10.878 1.00 0.00 C ATOM 78 C HIS A 5 6.520 4.183 9.852 1.00 0.00 C ATOM 79 O HIS A 5 7.311 5.026 9.449 1.00 0.00 O ATOM 80 CB HIS A 5 6.100 4.539 12.272 1.00 0.00 C ATOM 81 CG HIS A 5 5.210 3.993 13.353 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.144 4.628 13.951 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.076 2.651 13.556 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.382 3.674 14.515 1.00 0.00 C ATOM 85 NE2 HIS A 5 3.890 2.455 14.273 1.00 0.00 N ATOM 0 H HIS A 5 4.669 2.586 11.244 1.00 0.00 H new ATOM 0 HA HIS A 5 5.015 5.441 10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.036 3.981 12.264 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.349 5.575 12.503 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.758 1.882 13.225 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.484 3.863 15.085 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.490 1.561 14.556 1.00 0.00 H new ATOM 93 N SER A 6 6.493 2.926 9.494 1.00 0.00 N ATOM 94 CA SER A 6 7.282 2.246 8.574 1.00 0.00 C ATOM 95 C SER A 6 6.463 1.199 7.870 1.00 0.00 C ATOM 96 O SER A 6 5.608 0.549 8.479 1.00 0.00 O ATOM 97 CB SER A 6 8.398 1.577 9.335 1.00 0.00 C ATOM 98 OG SER A 6 8.240 1.487 10.746 1.00 0.00 O ATOM 0 H SER A 6 5.813 2.294 9.917 1.00 0.00 H new ATOM 0 HA SER A 6 7.678 2.938 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.523 0.568 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.322 2.116 9.129 1.00 0.00 H new ATOM 0 HG SER A 6 9.018 1.036 11.134 1.00 0.00 H new ATOM 104 N ILE A 7 6.955 0.891 6.677 1.00 0.00 N ATOM 105 CA ILE A 7 6.656 -0.289 5.876 1.00 0.00 C ATOM 106 C ILE A 7 6.921 -1.591 6.634 1.00 0.00 C ATOM 107 O ILE A 7 6.593 -2.680 6.179 1.00 0.00 O ATOM 108 CB ILE A 7 7.429 -0.140 4.529 1.00 0.00 C ATOM 109 CG1 ILE A 7 7.659 -1.404 3.691 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.833 0.477 4.630 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.375 -1.858 3.055 1.00 0.00 C ATOM 0 H ILE A 7 7.623 1.505 6.210 1.00 0.00 H new ATOM 0 HA ILE A 7 5.591 -0.355 5.654 1.00 0.00 H new ATOM 0 HB ILE A 7 6.708 0.518 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.403 -1.205 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.059 -2.198 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.278 0.533 3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.760 1.479 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.458 -0.143 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.559 -2.756 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.642 -2.078 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.991 -1.070 2.407 1.00 0.00 H new ATOM 123 N SER A 8 7.486 -1.489 7.825 1.00 0.00 N ATOM 124 CA SER A 8 8.185 -2.523 8.489 1.00 0.00 C ATOM 125 C SER A 8 7.773 -2.628 9.927 1.00 0.00 C ATOM 126 O SER A 8 8.098 -3.630 10.563 1.00 0.00 O ATOM 127 CB SER A 8 9.612 -2.106 8.330 1.00 0.00 C ATOM 128 OG SER A 8 10.204 -1.385 9.398 1.00 0.00 O ATOM 0 H SER A 8 7.455 -0.625 8.366 1.00 0.00 H new ATOM 0 HA SER A 8 7.989 -3.516 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.208 -3.002 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.686 -1.496 7.430 1.00 0.00 H new ATOM 0 HG SER A 8 11.134 -1.173 9.174 1.00 0.00 H new ATOM 134 N ASP A 9 7.057 -1.611 10.432 1.00 0.00 N ATOM 135 CA ASP A 9 6.277 -1.883 11.624 1.00 0.00 C ATOM 136 C ASP A 9 5.014 -2.644 11.247 1.00 0.00 C ATOM 137 O ASP A 9 4.210 -2.983 12.121 1.00 0.00 O ATOM 138 CB ASP A 9 5.965 -0.665 12.510 1.00 0.00 C ATOM 139 CG ASP A 9 6.166 -1.038 13.993 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.946 -2.221 14.367 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.612 -0.149 14.745 1.00 0.00 O ATOM 0 H ASP A 9 7.007 -0.663 10.059 1.00 0.00 H new ATOM 0 HA ASP A 9 6.913 -2.500 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.616 0.168 12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.940 -0.335 12.343 1.00 0.00 H new ATOM 146 N TYR A 10 4.828 -2.971 9.959 1.00 0.00 N ATOM 147 CA TYR A 10 3.754 -3.870 9.592 1.00 0.00 C ATOM 148 C TYR A 10 4.171 -4.913 8.584 1.00 0.00 C ATOM 149 O TYR A 10 5.278 -4.905 8.045 1.00 0.00 O ATOM 150 CB TYR A 10 2.533 -3.066 9.206 1.00 0.00 C ATOM 151 CG TYR A 10 2.416 -2.445 7.829 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.501 -2.405 6.941 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.199 -1.851 7.444 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.418 -1.683 5.754 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.139 -1.063 6.288 1.00 0.00 C ATOM 156 CZ TYR A 10 2.299 -0.875 5.513 1.00 0.00 C ATOM 157 OH TYR A 10 2.367 0.083 4.562 1.00 0.00 O ATOM 0 H TYR A 10 5.396 -2.631 9.183 1.00 0.00 H new ATOM 0 HA TYR A 10 3.481 -4.469 10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.667 -3.715 9.339 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.440 -2.257 9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.409 -2.939 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.312 -2.003 8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.211 -1.745 5.023 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.208 -0.602 5.993 1.00 0.00 H new ATOM 0 HH TYR A 10 2.032 0.929 4.925 1.00 0.00 H new ATOM 167 N THR A 11 3.303 -5.894 8.431 1.00 0.00 N ATOM 168 CA THR A 11 3.564 -7.085 7.662 1.00 0.00 C ATOM 169 C THR A 11 2.989 -6.847 6.282 1.00 0.00 C ATOM 170 O THR A 11 2.298 -5.863 6.010 1.00 0.00 O ATOM 171 CB THR A 11 3.010 -8.331 8.399 1.00 0.00 C ATOM 172 OG1 THR A 11 1.857 -8.892 7.798 1.00 0.00 O ATOM 173 CG2 THR A 11 2.657 -8.155 9.886 1.00 0.00 C ATOM 0 H THR A 11 2.374 -5.880 8.851 1.00 0.00 H new ATOM 0 HA THR A 11 4.628 -7.293 7.549 1.00 0.00 H new ATOM 0 HB THR A 11 3.875 -8.989 8.315 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.566 -9.672 8.314 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.281 -9.097 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.548 -7.857 10.439 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.892 -7.386 9.990 1.00 0.00 H new ATOM 181 N GLU A 12 3.249 -7.792 5.401 1.00 0.00 N ATOM 182 CA GLU A 12 2.781 -7.671 4.050 1.00 0.00 C ATOM 183 C GLU A 12 1.252 -7.729 3.948 1.00 0.00 C ATOM 184 O GLU A 12 0.659 -7.131 3.056 1.00 0.00 O ATOM 185 CB GLU A 12 3.432 -8.796 3.266 1.00 0.00 C ATOM 186 CG GLU A 12 3.431 -8.342 1.828 1.00 0.00 C ATOM 187 CD GLU A 12 3.722 -9.527 0.911 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.911 -9.736 0.599 1.00 0.00 O ATOM 189 OE2 GLU A 12 2.745 -10.159 0.445 1.00 0.00 O ATOM 0 H GLU A 12 3.777 -8.641 5.601 1.00 0.00 H new ATOM 0 HA GLU A 12 3.054 -6.696 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.447 -8.982 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.878 -9.727 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.465 -7.904 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.181 -7.565 1.682 1.00 0.00 H new ATOM 196 N ALA A 13 0.603 -8.427 4.877 1.00 0.00 N ATOM 197 CA ALA A 13 -0.856 -8.598 4.845 1.00 0.00 C ATOM 198 C ALA A 13 -1.546 -7.436 5.535 1.00 0.00 C ATOM 199 O ALA A 13 -2.674 -7.088 5.220 1.00 0.00 O ATOM 200 CB ALA A 13 -1.242 -9.928 5.498 1.00 0.00 C ATOM 0 H ALA A 13 1.061 -8.886 5.664 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.185 -8.614 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.325 -10.046 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.773 -10.749 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.903 -9.937 6.534 1.00 0.00 H new ATOM 206 N GLU A 14 -0.813 -6.813 6.435 1.00 0.00 N ATOM 207 CA GLU A 14 -1.094 -5.567 7.097 1.00 0.00 C ATOM 208 C GLU A 14 -1.190 -4.433 6.077 1.00 0.00 C ATOM 209 O GLU A 14 -2.178 -3.715 5.979 1.00 0.00 O ATOM 210 CB GLU A 14 0.053 -5.400 8.074 1.00 0.00 C ATOM 211 CG GLU A 14 -0.509 -5.537 9.492 1.00 0.00 C ATOM 212 CD GLU A 14 -0.622 -4.279 10.345 1.00 0.00 C ATOM 213 OE1 GLU A 14 -0.855 -3.173 9.815 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.405 -4.374 11.575 1.00 0.00 O ATOM 0 H GLU A 14 0.075 -7.207 6.746 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.052 -5.552 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.820 -6.153 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.526 -4.426 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.503 -5.978 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.115 -6.250 10.031 1.00 0.00 H new ATOM 221 N PHE A 15 -0.172 -4.341 5.237 1.00 0.00 N ATOM 222 CA PHE A 15 -0.094 -3.417 4.126 1.00 0.00 C ATOM 223 C PHE A 15 -1.132 -3.715 3.072 1.00 0.00 C ATOM 224 O PHE A 15 -1.688 -2.800 2.468 1.00 0.00 O ATOM 225 CB PHE A 15 1.278 -3.618 3.528 1.00 0.00 C ATOM 226 CG PHE A 15 1.609 -2.855 2.267 1.00 0.00 C ATOM 227 CD1 PHE A 15 1.525 -1.459 2.235 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.143 -3.536 1.168 1.00 0.00 C ATOM 229 CE1 PHE A 15 2.207 -0.737 1.246 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.732 -2.821 0.114 1.00 0.00 C ATOM 231 CZ PHE A 15 2.843 -1.424 0.201 1.00 0.00 C ATOM 0 H PHE A 15 0.654 -4.934 5.317 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.269 -2.398 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.017 -3.353 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.402 -4.681 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.934 -0.937 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.102 -4.615 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.243 0.342 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.098 -3.342 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.417 -0.880 -0.535 1.00 0.00 H new ATOM 241 N LEU A 16 -1.401 -4.999 2.851 1.00 0.00 N ATOM 242 CA LEU A 16 -2.389 -5.380 1.861 1.00 0.00 C ATOM 243 C LEU A 16 -3.749 -4.920 2.320 1.00 0.00 C ATOM 244 O LEU A 16 -4.540 -4.386 1.558 1.00 0.00 O ATOM 245 CB LEU A 16 -2.321 -6.891 1.707 1.00 0.00 C ATOM 246 CG LEU A 16 -3.221 -7.545 0.647 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.525 -6.722 -0.591 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.516 -8.798 0.079 1.00 0.00 C ATOM 0 H LEU A 16 -0.955 -5.777 3.337 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.197 -4.915 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.289 -7.158 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.562 -7.337 2.672 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.149 -7.719 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.168 -7.294 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.031 -5.801 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.594 -6.478 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.152 -9.264 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.569 -8.508 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.329 -9.507 0.885 1.00 0.00 H new ATOM 260 N GLN A 17 -3.990 -5.060 3.608 1.00 0.00 N ATOM 261 CA GLN A 17 -5.158 -4.652 4.263 1.00 0.00 C ATOM 262 C GLN A 17 -5.271 -3.157 4.189 1.00 0.00 C ATOM 263 O GLN A 17 -6.366 -2.631 4.074 1.00 0.00 O ATOM 264 CB GLN A 17 -5.159 -5.189 5.699 1.00 0.00 C ATOM 265 CG GLN A 17 -6.176 -4.489 6.586 1.00 0.00 C ATOM 266 CD GLN A 17 -6.382 -5.191 7.929 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.647 -6.389 7.993 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.283 -4.480 9.039 1.00 0.00 N ATOM 0 H GLN A 17 -3.316 -5.492 4.240 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.041 -5.064 3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.372 -6.258 5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.164 -5.068 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.850 -3.464 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.130 -4.433 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.063 -3.485 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.426 -4.926 9.945 1.00 0.00 H new ATOM 277 N LEU A 18 -4.146 -2.464 4.219 1.00 0.00 N ATOM 278 CA LEU A 18 -4.194 -1.049 4.160 1.00 0.00 C ATOM 279 C LEU A 18 -4.726 -0.592 2.810 1.00 0.00 C ATOM 280 O LEU A 18 -5.682 0.177 2.725 1.00 0.00 O ATOM 281 CB LEU A 18 -2.861 -0.458 4.499 1.00 0.00 C ATOM 282 CG LEU A 18 -3.141 1.021 4.782 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.158 1.913 3.533 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.287 1.317 5.732 1.00 0.00 C ATOM 0 H LEU A 18 -3.211 -2.868 4.283 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.892 -0.681 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.421 -0.949 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.157 -0.575 3.675 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.255 1.309 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.363 2.943 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.189 1.862 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.934 1.568 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.389 2.395 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.212 0.909 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.084 0.859 6.700 1.00 0.00 H new ATOM 296 N VAL A 19 -4.142 -1.144 1.751 1.00 0.00 N ATOM 297 CA VAL A 19 -4.576 -0.876 0.373 1.00 0.00 C ATOM 298 C VAL A 19 -6.084 -1.198 0.329 1.00 0.00 C ATOM 299 O VAL A 19 -6.881 -0.427 -0.193 1.00 0.00 O ATOM 300 CB VAL A 19 -3.810 -1.802 -0.532 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.361 -1.666 -1.939 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.341 -1.380 -0.473 1.00 0.00 C ATOM 0 H VAL A 19 -3.355 -1.790 1.818 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.399 0.153 0.059 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.904 -2.844 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.816 -2.331 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.418 -1.933 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.245 -0.636 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.750 -2.030 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.245 -0.348 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.980 -1.461 0.552 1.00 0.00 H new ATOM 312 N THR A 20 -6.489 -2.323 0.931 1.00 0.00 N ATOM 313 CA THR A 20 -7.854 -2.809 0.940 1.00 0.00 C ATOM 314 C THR A 20 -8.757 -1.912 1.800 1.00 0.00 C ATOM 315 O THR A 20 -9.948 -1.882 1.534 1.00 0.00 O ATOM 316 CB THR A 20 -7.849 -4.315 1.324 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.512 -5.062 0.321 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.453 -4.732 2.662 1.00 0.00 C ATOM 0 H THR A 20 -5.847 -2.932 1.438 1.00 0.00 H new ATOM 0 HA THR A 20 -8.298 -2.747 -0.054 1.00 0.00 H new ATOM 0 HB THR A 20 -6.783 -4.521 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.507 -6.012 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.371 -5.813 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.917 -4.239 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.503 -4.443 2.693 1.00 0.00 H new ATOM 326 N THR A 21 -8.234 -1.137 2.753 1.00 0.00 N ATOM 327 CA THR A 21 -8.900 -0.085 3.509 1.00 0.00 C ATOM 328 C THR A 21 -9.157 1.125 2.602 1.00 0.00 C ATOM 329 O THR A 21 -10.115 1.853 2.838 1.00 0.00 O ATOM 330 CB THR A 21 -8.006 0.255 4.724 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.422 -0.409 5.904 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.784 1.754 4.970 1.00 0.00 C ATOM 0 H THR A 21 -7.259 -1.240 3.034 1.00 0.00 H new ATOM 0 HA THR A 21 -9.875 -0.407 3.874 1.00 0.00 H new ATOM 0 HB THR A 21 -7.026 -0.133 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.762 0.248 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.145 1.889 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.305 2.199 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.744 2.240 5.145 1.00 0.00 H new ATOM 340 N ILE A 22 -8.347 1.353 1.569 1.00 0.00 N ATOM 341 CA ILE A 22 -8.454 2.441 0.605 1.00 0.00 C ATOM 342 C ILE A 22 -9.454 2.028 -0.454 1.00 0.00 C ATOM 343 O ILE A 22 -10.442 2.723 -0.678 1.00 0.00 O ATOM 344 CB ILE A 22 -7.112 2.813 -0.066 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.934 2.648 0.898 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.177 4.240 -0.624 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.699 3.454 0.550 1.00 0.00 C ATOM 0 H ILE A 22 -7.552 0.745 1.373 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.775 3.332 1.145 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.945 2.124 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.262 2.929 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.661 1.593 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.226 4.491 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.976 4.306 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.376 4.939 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.922 3.268 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.338 3.159 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.947 4.515 0.542 1.00 0.00 H new ATOM 359 N CYS A 23 -9.263 0.824 -1.001 1.00 0.00 N ATOM 360 CA CYS A 23 -10.288 0.127 -1.743 1.00 0.00 C ATOM 361 C CYS A 23 -11.527 -0.126 -0.857 1.00 0.00 C ATOM 362 O CYS A 23 -12.510 -0.629 -1.399 1.00 0.00 O ATOM 363 CB CYS A 23 -9.735 -1.151 -2.428 1.00 0.00 C ATOM 364 SG CYS A 23 -8.166 -0.808 -3.283 1.00 0.00 S ATOM 0 H CYS A 23 -8.383 0.312 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.621 0.766 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.583 -1.931 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.466 -1.531 -3.142 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.238 -0.566 -2.406 1.00 0.00 H new ATOM 370 N ASN A 24 -11.517 0.231 0.451 1.00 0.00 N ATOM 371 CA ASN A 24 -12.755 0.169 1.274 1.00 0.00 C ATOM 372 C ASN A 24 -13.273 1.505 1.846 1.00 0.00 C ATOM 373 O ASN A 24 -14.423 1.543 2.274 1.00 0.00 O ATOM 374 CB ASN A 24 -12.638 -0.907 2.370 1.00 0.00 C ATOM 375 CG ASN A 24 -13.942 -1.180 3.120 1.00 0.00 C ATOM 376 OD1 ASN A 24 -14.941 -1.578 2.532 1.00 0.00 O ATOM 377 ND2 ASN A 24 -13.953 -1.066 4.441 1.00 0.00 N ATOM 0 H ASN A 24 -10.690 0.557 0.950 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.528 -0.113 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.291 -1.836 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.877 -0.599 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.792 -1.309 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.122 -0.735 4.931 1.00 0.00 H new ATOM 384 N ALA A 25 -12.492 2.599 1.864 1.00 0.00 N ATOM 385 CA ALA A 25 -12.824 3.881 2.528 1.00 0.00 C ATOM 386 C ALA A 25 -13.196 3.674 3.997 1.00 0.00 C ATOM 387 O ALA A 25 -13.850 4.524 4.598 1.00 0.00 O ATOM 388 CB ALA A 25 -13.971 4.554 1.751 1.00 0.00 C ATOM 0 H ALA A 25 -11.582 2.621 1.403 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.947 4.528 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.227 5.500 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.655 4.739 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.843 3.900 1.750 1.00 0.00 H new ATOM 394 N ASP A 26 -12.629 2.619 4.589 1.00 0.00 N ATOM 395 CA ASP A 26 -12.614 2.111 5.977 1.00 0.00 C ATOM 396 C ASP A 26 -12.333 3.122 7.091 1.00 0.00 C ATOM 397 O ASP A 26 -12.386 2.873 8.289 1.00 0.00 O ATOM 398 CB ASP A 26 -11.502 1.081 5.937 1.00 0.00 C ATOM 399 CG ASP A 26 -11.153 0.419 7.269 1.00 0.00 C ATOM 400 OD1 ASP A 26 -11.941 -0.441 7.709 1.00 0.00 O ATOM 401 OD2 ASP A 26 -10.018 0.684 7.746 1.00 0.00 O ATOM 0 H ASP A 26 -12.074 1.992 4.007 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.610 1.754 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.782 0.301 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.604 1.560 5.546 1.00 0.00 H new ATOM 406 N THR A 27 -11.972 4.270 6.589 1.00 0.00 N ATOM 407 CA THR A 27 -11.255 5.386 7.093 1.00 0.00 C ATOM 408 C THR A 27 -11.974 6.361 7.999 1.00 0.00 C ATOM 409 O THR A 27 -13.113 6.154 8.414 1.00 0.00 O ATOM 410 CB THR A 27 -10.697 6.027 5.838 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.712 6.613 5.036 1.00 0.00 O ATOM 412 CG2 THR A 27 -9.828 5.074 5.048 1.00 0.00 C ATOM 0 H THR A 27 -12.236 4.465 5.623 1.00 0.00 H new ATOM 0 HA THR A 27 -10.507 5.043 7.807 1.00 0.00 H new ATOM 0 HB THR A 27 -10.051 6.841 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.342 7.378 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.451 5.578 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.989 4.750 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.416 4.206 4.751 1.00 0.00 H new ATOM 420 N SER A 28 -11.277 7.472 8.269 1.00 0.00 N ATOM 421 CA SER A 28 -11.883 8.633 8.868 1.00 0.00 C ATOM 422 C SER A 28 -13.131 9.068 8.154 1.00 0.00 C ATOM 423 O SER A 28 -14.055 9.538 8.817 1.00 0.00 O ATOM 424 CB SER A 28 -10.896 9.797 8.968 1.00 0.00 C ATOM 425 OG SER A 28 -10.398 10.201 7.709 1.00 0.00 O ATOM 0 H SER A 28 -10.281 7.576 8.073 1.00 0.00 H new ATOM 0 HA SER A 28 -12.170 8.335 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.387 10.643 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.062 9.507 9.608 1.00 0.00 H new ATOM 0 HG SER A 28 -11.144 10.471 7.133 1.00 0.00 H new ATOM 431 N SER A 29 -13.105 8.896 6.834 1.00 0.00 N ATOM 432 CA SER A 29 -14.029 9.425 5.843 1.00 0.00 C ATOM 433 C SER A 29 -13.217 10.310 4.940 1.00 0.00 C ATOM 434 O SER A 29 -12.913 11.464 5.210 1.00 0.00 O ATOM 435 CB SER A 29 -15.314 10.145 6.283 1.00 0.00 C ATOM 436 OG SER A 29 -15.200 11.181 7.238 1.00 0.00 O ATOM 0 H SER A 29 -12.374 8.335 6.397 1.00 0.00 H new ATOM 0 HA SER A 29 -14.462 8.541 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.785 10.562 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.997 9.395 6.683 1.00 0.00 H new ATOM 0 HG SER A 29 -15.081 10.792 8.130 1.00 0.00 H new ATOM 442 N GLU A 30 -12.830 9.685 3.856 1.00 0.00 N ATOM 443 CA GLU A 30 -12.422 10.284 2.615 1.00 0.00 C ATOM 444 C GLU A 30 -11.014 10.880 2.584 1.00 0.00 C ATOM 445 O GLU A 30 -10.449 11.225 1.551 1.00 0.00 O ATOM 446 CB GLU A 30 -13.549 11.177 2.054 1.00 0.00 C ATOM 447 CG GLU A 30 -13.547 11.337 0.527 1.00 0.00 C ATOM 448 CD GLU A 30 -14.820 12.052 0.047 1.00 0.00 C ATOM 449 OE1 GLU A 30 -15.869 11.371 -0.036 1.00 0.00 O ATOM 450 OE2 GLU A 30 -14.747 13.272 -0.228 1.00 0.00 O ATOM 0 H GLU A 30 -12.790 8.666 3.818 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.284 9.468 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.509 10.761 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.470 12.165 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.669 11.904 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.476 10.357 0.055 1.00 0.00 H new ATOM 457 N GLU A 31 -10.390 10.862 3.743 1.00 0.00 N ATOM 458 CA GLU A 31 -9.280 11.703 4.111 1.00 0.00 C ATOM 459 C GLU A 31 -8.068 10.954 4.516 1.00 0.00 C ATOM 460 O GLU A 31 -6.988 11.076 3.955 1.00 0.00 O ATOM 461 CB GLU A 31 -9.830 12.516 5.181 1.00 0.00 C ATOM 462 CG GLU A 31 -8.976 13.616 5.744 1.00 0.00 C ATOM 463 CD GLU A 31 -8.217 13.208 7.020 1.00 0.00 C ATOM 464 OE1 GLU A 31 -8.626 12.255 7.730 1.00 0.00 O ATOM 465 OE2 GLU A 31 -7.118 13.751 7.258 1.00 0.00 O ATOM 0 H GLU A 31 -10.662 10.224 4.491 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.912 12.292 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.755 12.964 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.100 11.850 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.257 13.931 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.606 14.478 5.964 1.00 0.00 H new ATOM 472 N GLU A 32 -8.339 10.121 5.492 1.00 0.00 N ATOM 473 CA GLU A 32 -7.520 8.977 5.759 1.00 0.00 C ATOM 474 C GLU A 32 -7.368 8.259 4.444 1.00 0.00 C ATOM 475 O GLU A 32 -6.330 7.728 4.209 1.00 0.00 O ATOM 476 CB GLU A 32 -8.159 8.071 6.723 1.00 0.00 C ATOM 477 CG GLU A 32 -7.740 8.403 8.141 1.00 0.00 C ATOM 478 CD GLU A 32 -6.253 8.346 8.481 1.00 0.00 C ATOM 479 OE1 GLU A 32 -5.503 7.658 7.768 1.00 0.00 O ATOM 480 OE2 GLU A 32 -5.855 9.178 9.329 1.00 0.00 O ATOM 0 H GLU A 32 -9.136 10.223 6.121 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.566 9.287 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.243 8.145 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.890 7.040 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.096 9.408 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.262 7.721 8.812 1.00 0.00 H new ATOM 487 N LEU A 33 -8.320 8.297 3.523 1.00 0.00 N ATOM 488 CA LEU A 33 -8.118 7.719 2.215 1.00 0.00 C ATOM 489 C LEU A 33 -6.965 8.335 1.455 1.00 0.00 C ATOM 490 O LEU A 33 -6.061 7.609 1.071 1.00 0.00 O ATOM 491 CB LEU A 33 -9.403 7.864 1.437 1.00 0.00 C ATOM 492 CG LEU A 33 -10.286 6.691 1.835 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.738 7.077 1.572 1.00 0.00 C ATOM 494 CD2 LEU A 33 -9.903 5.567 0.903 1.00 0.00 C ATOM 0 H LEU A 33 -9.236 8.723 3.663 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.852 6.670 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.890 8.811 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.210 7.857 0.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.169 6.413 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.391 6.250 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.994 7.956 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.869 7.302 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.501 4.685 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.085 5.871 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.846 5.332 1.031 1.00 0.00 H new ATOM 506 N VAL A 34 -6.963 9.651 1.269 1.00 0.00 N ATOM 507 CA VAL A 34 -5.833 10.382 0.696 1.00 0.00 C ATOM 508 C VAL A 34 -4.555 10.111 1.496 1.00 0.00 C ATOM 509 O VAL A 34 -3.450 10.088 0.966 1.00 0.00 O ATOM 510 CB VAL A 34 -6.193 11.855 0.621 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.028 12.810 0.315 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.313 12.096 -0.394 1.00 0.00 C ATOM 0 H VAL A 34 -7.753 10.248 1.514 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.627 10.038 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.521 12.093 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.396 13.835 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.270 12.720 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.590 12.553 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.551 13.159 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.987 11.766 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.199 11.535 -0.098 1.00 0.00 H new ATOM 522 N LYS A 35 -4.693 9.864 2.788 1.00 0.00 N ATOM 523 CA LYS A 35 -3.605 9.714 3.710 1.00 0.00 C ATOM 524 C LYS A 35 -3.104 8.275 3.746 1.00 0.00 C ATOM 525 O LYS A 35 -1.922 8.082 3.995 1.00 0.00 O ATOM 526 CB LYS A 35 -4.142 10.299 4.982 1.00 0.00 C ATOM 527 CG LYS A 35 -3.250 9.892 6.103 1.00 0.00 C ATOM 528 CD LYS A 35 -3.502 10.676 7.361 1.00 0.00 C ATOM 529 CE LYS A 35 -4.533 11.817 7.453 1.00 0.00 C ATOM 530 NZ LYS A 35 -5.903 11.334 7.683 1.00 0.00 N ATOM 0 H LYS A 35 -5.606 9.760 3.230 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.687 10.238 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.187 11.386 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.159 9.949 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.391 8.831 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.211 10.023 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.777 9.950 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.543 11.103 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.250 12.491 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.508 12.398 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.512 12.133 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.269 10.900 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.899 10.628 8.446 1.00 0.00 H new ATOM 544 N LEU A 36 -3.926 7.277 3.440 1.00 0.00 N ATOM 545 CA LEU A 36 -3.604 5.895 3.270 1.00 0.00 C ATOM 546 C LEU A 36 -3.033 5.745 1.877 1.00 0.00 C ATOM 547 O LEU A 36 -2.142 4.918 1.670 1.00 0.00 O ATOM 548 CB LEU A 36 -4.912 5.131 3.557 1.00 0.00 C ATOM 549 CG LEU A 36 -5.106 5.113 5.081 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.349 4.414 5.530 1.00 0.00 C ATOM 551 CD2 LEU A 36 -3.964 4.748 5.997 1.00 0.00 C ATOM 0 H LEU A 36 -4.921 7.448 3.295 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.846 5.490 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.756 5.617 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.858 4.116 3.165 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.186 6.192 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.411 4.446 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.220 4.910 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.323 3.376 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.300 4.793 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.624 3.738 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.142 5.449 5.851 1.00 0.00 H new ATOM 563 N VAL A 37 -3.489 6.599 0.954 1.00 0.00 N ATOM 564 CA VAL A 37 -2.931 6.688 -0.375 1.00 0.00 C ATOM 565 C VAL A 37 -1.470 7.105 -0.196 1.00 0.00 C ATOM 566 O VAL A 37 -0.572 6.380 -0.601 1.00 0.00 O ATOM 567 CB VAL A 37 -3.786 7.639 -1.255 1.00 0.00 C ATOM 568 CG1 VAL A 37 -3.059 8.383 -2.380 1.00 0.00 C ATOM 569 CG2 VAL A 37 -4.965 6.887 -1.880 1.00 0.00 C ATOM 0 H VAL A 37 -4.260 7.246 1.121 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.951 5.742 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.102 8.403 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.768 9.012 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.271 9.005 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.620 7.661 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.550 7.573 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.590 6.075 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.595 6.478 -1.090 1.00 0.00 H new ATOM 579 N THR A 38 -1.232 8.205 0.511 1.00 0.00 N ATOM 580 CA THR A 38 0.070 8.828 0.681 1.00 0.00 C ATOM 581 C THR A 38 0.964 8.071 1.654 1.00 0.00 C ATOM 582 O THR A 38 2.163 7.993 1.423 1.00 0.00 O ATOM 583 CB THR A 38 -0.059 10.299 0.882 1.00 0.00 C ATOM 584 OG1 THR A 38 -0.650 10.950 -0.227 1.00 0.00 O ATOM 585 CG2 THR A 38 1.207 11.049 1.310 1.00 0.00 C ATOM 0 H THR A 38 -1.974 8.705 1.000 1.00 0.00 H new ATOM 0 HA THR A 38 0.630 8.741 -0.250 1.00 0.00 H new ATOM 0 HB THR A 38 -0.726 10.350 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.492 10.423 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.981 12.109 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.562 10.651 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.980 10.921 0.552 1.00 0.00 H new ATOM 593 N HIS A 39 0.402 7.431 2.685 1.00 0.00 N ATOM 594 CA HIS A 39 1.043 6.340 3.401 1.00 0.00 C ATOM 595 C HIS A 39 1.643 5.392 2.376 1.00 0.00 C ATOM 596 O HIS A 39 2.804 5.041 2.511 1.00 0.00 O ATOM 597 CB HIS A 39 -0.014 5.600 4.233 1.00 0.00 C ATOM 598 CG HIS A 39 0.130 4.103 4.386 1.00 0.00 C ATOM 599 ND1 HIS A 39 -0.258 3.192 3.432 1.00 0.00 N ATOM 600 CD2 HIS A 39 0.551 3.394 5.478 1.00 0.00 C ATOM 601 CE1 HIS A 39 -0.038 1.967 3.924 1.00 0.00 C ATOM 602 NE2 HIS A 39 0.454 2.037 5.163 1.00 0.00 N ATOM 0 H HIS A 39 -0.523 7.665 3.045 1.00 0.00 H new ATOM 0 HA HIS A 39 1.822 6.717 4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.023 6.039 5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.989 5.799 3.789 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.644 3.411 2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.896 3.809 6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.232 1.048 3.392 1.00 0.00 H new ATOM 610 N PHE A 40 0.879 4.958 1.366 1.00 0.00 N ATOM 611 CA PHE A 40 1.411 3.942 0.462 1.00 0.00 C ATOM 612 C PHE A 40 2.616 4.511 -0.284 1.00 0.00 C ATOM 613 O PHE A 40 3.686 3.908 -0.293 1.00 0.00 O ATOM 614 CB PHE A 40 0.342 3.412 -0.494 1.00 0.00 C ATOM 615 CG PHE A 40 0.738 2.095 -1.113 1.00 0.00 C ATOM 616 CD1 PHE A 40 1.696 2.047 -2.140 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.176 0.901 -0.635 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.040 0.813 -2.712 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.499 -0.318 -1.252 1.00 0.00 C ATOM 620 CZ PHE A 40 1.390 -0.362 -2.325 1.00 0.00 C ATOM 0 H PHE A 40 -0.067 5.279 1.162 1.00 0.00 H new ATOM 0 HA PHE A 40 1.737 3.084 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.598 3.291 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.166 4.144 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.165 2.956 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.503 0.920 0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.817 0.771 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.052 -1.233 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.574 -1.289 -2.848 1.00 0.00 H new ATOM 630 N GLU A 41 2.438 5.695 -0.860 1.00 0.00 N ATOM 631 CA GLU A 41 3.474 6.500 -1.503 1.00 0.00 C ATOM 632 C GLU A 41 4.743 6.673 -0.654 1.00 0.00 C ATOM 633 O GLU A 41 5.834 6.806 -1.207 1.00 0.00 O ATOM 634 CB GLU A 41 2.957 7.838 -1.983 1.00 0.00 C ATOM 635 CG GLU A 41 1.630 7.865 -2.731 1.00 0.00 C ATOM 636 CD GLU A 41 1.220 9.284 -3.142 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.629 10.004 -2.304 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.500 9.648 -4.307 1.00 0.00 O ATOM 0 H GLU A 41 1.522 6.143 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 41 3.766 5.921 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.865 8.491 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.715 8.276 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.704 7.239 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.852 7.433 -2.101 1.00 0.00 H new ATOM 645 N GLU A 42 4.603 6.654 0.671 1.00 0.00 N ATOM 646 CA GLU A 42 5.665 6.800 1.644 1.00 0.00 C ATOM 647 C GLU A 42 6.357 5.447 1.800 1.00 0.00 C ATOM 648 O GLU A 42 7.483 5.213 1.351 1.00 0.00 O ATOM 649 CB GLU A 42 5.105 7.411 2.900 1.00 0.00 C ATOM 650 CG GLU A 42 6.007 8.010 3.982 1.00 0.00 C ATOM 651 CD GLU A 42 7.049 7.049 4.579 1.00 0.00 C ATOM 652 OE1 GLU A 42 6.652 5.938 5.002 1.00 0.00 O ATOM 653 OE2 GLU A 42 8.229 7.461 4.655 1.00 0.00 O ATOM 0 H GLU A 42 3.691 6.529 1.110 1.00 0.00 H new ATOM 0 HA GLU A 42 6.445 7.493 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.422 8.201 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.503 6.641 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.529 8.869 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.378 8.384 4.790 1.00 0.00 H new ATOM 660 N MET A 43 5.573 4.529 2.358 1.00 0.00 N ATOM 661 CA MET A 43 5.929 3.286 2.984 1.00 0.00 C ATOM 662 C MET A 43 6.890 2.535 2.100 1.00 0.00 C ATOM 663 O MET A 43 8.027 2.228 2.449 1.00 0.00 O ATOM 664 CB MET A 43 4.629 2.488 3.170 1.00 0.00 C ATOM 665 CG MET A 43 3.795 3.006 4.329 1.00 0.00 C ATOM 666 SD MET A 43 4.176 2.336 5.954 1.00 0.00 S ATOM 667 CE MET A 43 4.237 3.898 6.846 1.00 0.00 C ATOM 0 H MET A 43 4.562 4.666 2.378 1.00 0.00 H new ATOM 0 HA MET A 43 6.415 3.449 3.946 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.042 2.536 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.871 1.439 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.906 4.089 4.372 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.746 2.802 4.113 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.534 3.716 7.879 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.961 4.560 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.253 4.366 6.829 1.00 0.00 H new ATOM 677 N THR A 44 6.391 2.161 0.935 1.00 0.00 N ATOM 678 CA THR A 44 7.045 1.160 0.138 1.00 0.00 C ATOM 679 C THR A 44 8.314 1.719 -0.525 1.00 0.00 C ATOM 680 O THR A 44 9.103 0.909 -1.030 1.00 0.00 O ATOM 681 CB THR A 44 6.001 0.512 -0.777 1.00 0.00 C ATOM 682 OG1 THR A 44 6.565 -0.365 -1.722 1.00 0.00 O ATOM 683 CG2 THR A 44 5.090 1.538 -1.448 1.00 0.00 C ATOM 0 H THR A 44 5.536 2.540 0.528 1.00 0.00 H new ATOM 0 HA THR A 44 7.442 0.346 0.744 1.00 0.00 H new ATOM 0 HB THR A 44 5.378 -0.093 -0.118 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.542 -0.291 -1.695 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.370 1.024 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.559 2.107 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.690 2.216 -2.054 1.00 0.00 H new ATOM 691 N GLU A 45 8.617 3.028 -0.420 1.00 0.00 N ATOM 692 CA GLU A 45 9.865 3.625 -0.916 1.00 0.00 C ATOM 693 C GLU A 45 9.978 3.308 -2.408 1.00 0.00 C ATOM 694 O GLU A 45 11.042 2.902 -2.886 1.00 0.00 O ATOM 695 CB GLU A 45 10.993 3.079 -0.029 1.00 0.00 C ATOM 696 CG GLU A 45 12.373 3.741 0.033 1.00 0.00 C ATOM 697 CD GLU A 45 13.397 2.687 0.501 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.053 1.800 1.321 1.00 0.00 O ATOM 699 OE2 GLU A 45 14.430 2.558 -0.195 1.00 0.00 O ATOM 0 H GLU A 45 7.992 3.705 0.017 1.00 0.00 H new ATOM 0 HA GLU A 45 9.911 4.712 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.609 3.059 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.155 2.044 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.651 4.131 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.358 4.587 0.721 1.00 0.00 H new ATOM 706 N HIS A 46 8.833 3.427 -3.094 1.00 0.00 N ATOM 707 CA HIS A 46 8.521 2.796 -4.362 1.00 0.00 C ATOM 708 C HIS A 46 8.278 3.798 -5.501 1.00 0.00 C ATOM 709 O HIS A 46 7.705 4.855 -5.261 1.00 0.00 O ATOM 710 CB HIS A 46 7.262 1.941 -4.127 1.00 0.00 C ATOM 711 CG HIS A 46 6.707 1.228 -5.335 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.820 1.748 -6.248 1.00 0.00 N ATOM 713 CD2 HIS A 46 7.068 -0.012 -5.782 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.705 0.859 -7.254 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.443 -0.229 -7.004 1.00 0.00 N ATOM 0 H HIS A 46 8.063 4.001 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 46 9.375 2.199 -4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.491 1.196 -3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.482 2.584 -3.720 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.337 2.644 -6.177 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.725 -0.703 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.102 1.004 -8.138 1.00 0.00 H new ATOM 723 N PRO A 47 8.608 3.410 -6.749 1.00 0.00 N ATOM 724 CA PRO A 47 8.332 4.130 -7.993 1.00 0.00 C ATOM 725 C PRO A 47 6.956 4.796 -8.083 1.00 0.00 C ATOM 726 O PRO A 47 6.849 6.016 -8.117 1.00 0.00 O ATOM 727 CB PRO A 47 8.536 3.095 -9.115 1.00 0.00 C ATOM 728 CG PRO A 47 9.440 2.032 -8.501 1.00 0.00 C ATOM 729 CD PRO A 47 9.358 2.198 -7.026 1.00 0.00 C ATOM 0 HA PRO A 47 9.007 4.982 -8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.586 2.669 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.997 3.548 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.118 1.033 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.467 2.151 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.869 1.336 -6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.357 2.261 -6.594 1.00 0.00 H new ATOM 737 N SER A 48 5.916 3.976 -8.180 1.00 0.00 N ATOM 738 CA SER A 48 4.610 4.341 -8.692 1.00 0.00 C ATOM 739 C SER A 48 3.589 4.534 -7.568 1.00 0.00 C ATOM 740 O SER A 48 2.445 4.185 -7.727 1.00 0.00 O ATOM 741 CB SER A 48 4.188 3.289 -9.727 1.00 0.00 C ATOM 742 OG SER A 48 4.666 3.605 -11.012 1.00 0.00 O ATOM 0 H SER A 48 5.967 2.999 -7.891 1.00 0.00 H new ATOM 0 HA SER A 48 4.659 5.311 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.566 2.311 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.101 3.217 -9.750 1.00 0.00 H new ATOM 0 HG SER A 48 3.911 3.684 -11.632 1.00 0.00 H new ATOM 748 N GLY A 49 3.979 5.011 -6.396 1.00 0.00 N ATOM 749 CA GLY A 49 3.121 5.387 -5.270 1.00 0.00 C ATOM 750 C GLY A 49 1.774 5.945 -5.733 1.00 0.00 C ATOM 751 O GLY A 49 0.735 5.331 -5.498 1.00 0.00 O ATOM 0 H GLY A 49 4.967 5.157 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.953 4.516 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.631 6.132 -4.660 1.00 0.00 H new ATOM 755 N SER A 50 1.813 7.075 -6.433 1.00 0.00 N ATOM 756 CA SER A 50 0.658 7.807 -6.935 1.00 0.00 C ATOM 757 C SER A 50 -0.118 7.070 -8.043 1.00 0.00 C ATOM 758 O SER A 50 -0.964 7.684 -8.695 1.00 0.00 O ATOM 759 CB SER A 50 1.160 9.158 -7.474 1.00 0.00 C ATOM 760 OG SER A 50 2.255 9.671 -6.728 1.00 0.00 O ATOM 0 H SER A 50 2.695 7.526 -6.677 1.00 0.00 H new ATOM 0 HA SER A 50 -0.043 7.924 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.458 9.041 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.343 9.879 -7.455 1.00 0.00 H new ATOM 0 HG SER A 50 2.126 9.471 -5.777 1.00 0.00 H new ATOM 766 N ASP A 51 0.193 5.804 -8.334 1.00 0.00 N ATOM 767 CA ASP A 51 -0.161 5.090 -9.532 1.00 0.00 C ATOM 768 C ASP A 51 -0.601 3.729 -9.058 1.00 0.00 C ATOM 769 O ASP A 51 -1.706 3.349 -9.437 1.00 0.00 O ATOM 770 CB ASP A 51 1.031 5.063 -10.501 1.00 0.00 C ATOM 771 CG ASP A 51 1.081 3.952 -11.556 1.00 0.00 C ATOM 772 OD1 ASP A 51 0.025 3.398 -11.913 1.00 0.00 O ATOM 773 OD2 ASP A 51 2.223 3.693 -12.013 1.00 0.00 O ATOM 0 H ASP A 51 0.733 5.227 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.965 5.558 -10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.058 6.019 -11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.942 4.999 -9.906 1.00 0.00 H new ATOM 778 N LEU A 52 0.105 3.052 -8.120 1.00 0.00 N ATOM 779 CA LEU A 52 -0.073 1.631 -7.960 1.00 0.00 C ATOM 780 C LEU A 52 -1.094 1.363 -6.927 1.00 0.00 C ATOM 781 O LEU A 52 -0.894 0.596 -5.998 1.00 0.00 O ATOM 782 CB LEU A 52 1.176 0.824 -7.719 1.00 0.00 C ATOM 783 CG LEU A 52 2.317 1.236 -6.808 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.939 2.029 -5.580 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.961 -0.054 -6.324 1.00 0.00 C ATOM 0 H LEU A 52 0.783 3.476 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.413 1.281 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.839 -0.147 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.621 0.661 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 52 2.958 1.894 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.837 2.265 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.447 2.954 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.260 1.441 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.793 0.181 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.224 -0.648 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.328 -0.621 -7.180 1.00 0.00 H new ATOM 797 N ILE A 53 -2.165 2.101 -7.068 1.00 0.00 N ATOM 798 CA ILE A 53 -3.293 2.096 -6.251 1.00 0.00 C ATOM 799 C ILE A 53 -4.472 2.024 -7.216 1.00 0.00 C ATOM 800 O ILE A 53 -5.368 1.234 -6.940 1.00 0.00 O ATOM 801 CB ILE A 53 -3.122 3.215 -5.241 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.888 2.856 -4.373 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.387 3.266 -4.403 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.017 1.644 -3.502 1.00 0.00 C ATOM 0 H ILE A 53 -2.251 2.770 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.474 1.256 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.966 4.189 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.035 2.712 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.657 3.711 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.301 4.061 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.243 3.462 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.526 2.311 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.092 1.496 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.843 1.784 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.210 0.769 -4.122 1.00 0.00 H new ATOM 816 N TYR A 54 -4.433 2.713 -8.380 1.00 0.00 N ATOM 817 CA TYR A 54 -5.487 2.553 -9.379 1.00 0.00 C ATOM 818 C TYR A 54 -5.182 2.947 -10.848 1.00 0.00 C ATOM 819 O TYR A 54 -6.030 2.707 -11.708 1.00 0.00 O ATOM 820 CB TYR A 54 -6.725 3.341 -8.978 1.00 0.00 C ATOM 821 CG TYR A 54 -6.862 3.883 -7.554 1.00 0.00 C ATOM 822 CD1 TYR A 54 -6.273 5.110 -7.177 1.00 0.00 C ATOM 823 CD2 TYR A 54 -7.499 3.112 -6.565 1.00 0.00 C ATOM 824 CE1 TYR A 54 -6.392 5.573 -5.852 1.00 0.00 C ATOM 825 CE2 TYR A 54 -7.749 3.633 -5.290 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.222 4.891 -4.932 1.00 0.00 C ATOM 827 OH TYR A 54 -7.373 5.351 -3.662 1.00 0.00 O ATOM 0 H TYR A 54 -3.695 3.369 -8.637 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.615 1.471 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.802 4.191 -9.656 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.589 2.704 -9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.731 5.694 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.801 2.100 -6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.848 6.451 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.343 3.073 -4.583 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.327 5.402 -3.444 1.00 0.00 H new ATOM 837 N TYR A 55 -4.047 3.581 -11.169 1.00 0.00 N ATOM 838 CA TYR A 55 -3.602 3.761 -12.556 1.00 0.00 C ATOM 839 C TYR A 55 -2.833 2.575 -13.220 1.00 0.00 C ATOM 840 O TYR A 55 -2.520 2.725 -14.407 1.00 0.00 O ATOM 841 CB TYR A 55 -2.807 5.074 -12.647 1.00 0.00 C ATOM 842 CG TYR A 55 -3.632 6.318 -12.351 1.00 0.00 C ATOM 843 CD1 TYR A 55 -4.519 6.817 -13.324 1.00 0.00 C ATOM 844 CD2 TYR A 55 -3.522 6.973 -11.108 1.00 0.00 C ATOM 845 CE1 TYR A 55 -5.289 7.966 -13.062 1.00 0.00 C ATOM 846 CE2 TYR A 55 -4.285 8.121 -10.837 1.00 0.00 C ATOM 847 CZ TYR A 55 -5.174 8.621 -11.816 1.00 0.00 C ATOM 848 OH TYR A 55 -5.918 9.734 -11.565 1.00 0.00 O ATOM 0 H TYR A 55 -3.414 3.982 -10.477 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.514 3.797 -13.151 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.971 5.030 -11.949 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.383 5.161 -13.647 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.609 6.316 -14.276 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.846 6.589 -10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.966 8.346 -13.812 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.193 8.620 -9.884 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.722 10.062 -10.663 1.00 0.00 H new ATOM 858 N PRO A 56 -2.550 1.409 -12.586 1.00 0.00 N ATOM 859 CA PRO A 56 -2.066 0.199 -13.261 1.00 0.00 C ATOM 860 C PRO A 56 -3.223 -0.441 -14.035 1.00 0.00 C ATOM 861 O PRO A 56 -4.177 0.255 -14.384 1.00 0.00 O ATOM 862 CB PRO A 56 -1.510 -0.722 -12.152 1.00 0.00 C ATOM 863 CG PRO A 56 -2.018 -0.096 -10.866 1.00 0.00 C ATOM 864 CD PRO A 56 -2.967 0.976 -11.275 1.00 0.00 C ATOM 0 HA PRO A 56 -1.281 0.404 -13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.868 -1.745 -12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.421 -0.761 -12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.514 -0.838 -10.241 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.195 0.314 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.990 0.601 -11.297 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.946 1.805 -10.567 1.00 0.00 H new ATOM 872 N LYS A 57 -3.107 -1.751 -14.336 1.00 0.00 N ATOM 873 CA LYS A 57 -4.122 -2.737 -14.777 1.00 0.00 C ATOM 874 C LYS A 57 -3.849 -3.219 -16.184 1.00 0.00 C ATOM 875 O LYS A 57 -4.350 -4.232 -16.667 1.00 0.00 O ATOM 876 CB LYS A 57 -5.489 -2.104 -14.776 1.00 0.00 C ATOM 877 CG LYS A 57 -6.607 -3.082 -15.125 1.00 0.00 C ATOM 878 CD LYS A 57 -7.919 -2.496 -14.645 1.00 0.00 C ATOM 879 CE LYS A 57 -8.097 -1.003 -14.987 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.821 -0.679 -16.413 1.00 0.00 N ATOM 0 H LYS A 57 -2.193 -2.198 -14.268 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.076 -3.577 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.683 -1.677 -13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.501 -1.280 -15.489 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.639 -3.254 -16.201 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.427 -4.048 -14.653 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.741 -3.060 -15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.989 -2.622 -13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.117 -0.703 -14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.434 -0.413 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.642 0.341 -16.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.985 -1.209 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.642 -0.943 -16.994 1.00 0.00 H new ATOM 894 N GLU A 58 -2.977 -2.466 -16.830 1.00 0.00 N ATOM 895 CA GLU A 58 -2.948 -2.457 -18.274 1.00 0.00 C ATOM 896 C GLU A 58 -1.832 -3.122 -19.037 1.00 0.00 C ATOM 897 O GLU A 58 -1.796 -3.297 -20.254 1.00 0.00 O ATOM 898 CB GLU A 58 -3.198 -1.059 -18.676 1.00 0.00 C ATOM 899 CG GLU A 58 -4.151 -1.024 -19.858 1.00 0.00 C ATOM 900 CD GLU A 58 -5.635 -0.831 -19.461 1.00 0.00 C ATOM 901 OE1 GLU A 58 -6.039 -1.223 -18.336 1.00 0.00 O ATOM 902 OE2 GLU A 58 -6.399 -0.285 -20.287 1.00 0.00 O ATOM 0 H GLU A 58 -2.289 -1.861 -16.381 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.722 -3.159 -18.584 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.621 -0.501 -17.840 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.258 -0.574 -18.941 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.856 -0.215 -20.527 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.053 -1.953 -20.419 1.00 0.00 H new ATOM 909 N GLY A 59 -0.948 -3.531 -18.197 1.00 0.00 N ATOM 910 CA GLY A 59 0.038 -4.539 -18.383 1.00 0.00 C ATOM 911 C GLY A 59 0.372 -5.084 -16.992 1.00 0.00 C ATOM 912 O GLY A 59 1.382 -5.765 -16.840 1.00 0.00 O ATOM 0 H GLY A 59 -0.892 -3.125 -17.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.336 -5.332 -19.031 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.927 -4.128 -18.862 1.00 0.00 H new ATOM 916 N ASP A 60 -0.445 -4.727 -15.987 1.00 0.00 N ATOM 917 CA ASP A 60 -0.183 -4.834 -14.570 1.00 0.00 C ATOM 918 C ASP A 60 -1.469 -5.241 -13.908 1.00 0.00 C ATOM 919 O ASP A 60 -2.495 -5.421 -14.563 1.00 0.00 O ATOM 920 CB ASP A 60 0.342 -3.487 -14.036 1.00 0.00 C ATOM 921 CG ASP A 60 1.412 -3.686 -12.947 1.00 0.00 C ATOM 922 OD1 ASP A 60 1.040 -4.048 -11.807 1.00 0.00 O ATOM 923 OD2 ASP A 60 2.606 -3.506 -13.268 1.00 0.00 O ATOM 0 H ASP A 60 -1.366 -4.330 -16.173 1.00 0.00 H new ATOM 0 HA ASP A 60 0.583 -5.579 -14.357 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.763 -2.908 -14.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.487 -2.908 -13.630 1.00 0.00 H new ATOM 928 N ASP A 61 -1.372 -5.412 -12.610 1.00 0.00 N ATOM 929 CA ASP A 61 -2.431 -5.903 -11.764 1.00 0.00 C ATOM 930 C ASP A 61 -2.694 -4.890 -10.659 1.00 0.00 C ATOM 931 O ASP A 61 -1.936 -4.803 -9.708 1.00 0.00 O ATOM 932 CB ASP A 61 -2.203 -7.315 -11.294 1.00 0.00 C ATOM 933 CG ASP A 61 -3.280 -7.881 -10.352 1.00 0.00 C ATOM 934 OD1 ASP A 61 -4.397 -7.313 -10.255 1.00 0.00 O ATOM 935 OD2 ASP A 61 -2.979 -8.901 -9.684 1.00 0.00 O ATOM 0 H ASP A 61 -0.517 -5.204 -12.095 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.349 -5.991 -12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.132 -7.963 -12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.240 -7.359 -10.785 1.00 0.00 H new ATOM 940 N ASP A 62 -3.706 -4.051 -10.816 1.00 0.00 N ATOM 941 CA ASP A 62 -4.123 -2.996 -9.890 1.00 0.00 C ATOM 942 C ASP A 62 -5.265 -3.501 -8.986 1.00 0.00 C ATOM 943 O ASP A 62 -5.867 -2.693 -8.272 1.00 0.00 O ATOM 944 CB ASP A 62 -4.803 -1.897 -10.746 1.00 0.00 C ATOM 945 CG ASP A 62 -6.164 -2.304 -11.350 1.00 0.00 C ATOM 946 OD1 ASP A 62 -6.255 -3.446 -11.862 1.00 0.00 O ATOM 947 OD2 ASP A 62 -7.075 -1.447 -11.431 1.00 0.00 O ATOM 0 H ASP A 62 -4.299 -4.087 -11.645 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.259 -2.668 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.945 -1.010 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.130 -1.617 -11.556 1.00 0.00 H new ATOM 952 N SER A 63 -5.635 -4.794 -9.009 1.00 0.00 N ATOM 953 CA SER A 63 -6.648 -5.283 -8.066 1.00 0.00 C ATOM 954 C SER A 63 -6.177 -4.915 -6.650 1.00 0.00 C ATOM 955 O SER A 63 -4.962 -4.839 -6.481 1.00 0.00 O ATOM 956 CB SER A 63 -6.811 -6.803 -8.152 1.00 0.00 C ATOM 957 OG SER A 63 -6.887 -7.301 -9.473 1.00 0.00 O ATOM 0 H SER A 63 -5.261 -5.496 -9.648 1.00 0.00 H new ATOM 0 HA SER A 63 -7.609 -4.829 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.971 -7.277 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.714 -7.092 -7.614 1.00 0.00 H new ATOM 0 HG SER A 63 -6.027 -7.699 -9.723 1.00 0.00 H new ATOM 963 N PRO A 64 -7.034 -4.806 -5.606 1.00 0.00 N ATOM 964 CA PRO A 64 -6.675 -4.357 -4.252 1.00 0.00 C ATOM 965 C PRO A 64 -5.517 -5.077 -3.572 1.00 0.00 C ATOM 966 O PRO A 64 -5.082 -4.727 -2.484 1.00 0.00 O ATOM 967 CB PRO A 64 -7.924 -4.573 -3.420 1.00 0.00 C ATOM 968 CG PRO A 64 -9.032 -4.283 -4.423 1.00 0.00 C ATOM 969 CD PRO A 64 -8.464 -5.028 -5.629 1.00 0.00 C ATOM 0 HA PRO A 64 -6.330 -3.326 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.983 -5.589 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.964 -3.900 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.000 -4.672 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.162 -3.217 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.693 -6.092 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.900 -4.657 -6.556 1.00 0.00 H new ATOM 977 N SER A 65 -5.093 -6.140 -4.216 1.00 0.00 N ATOM 978 CA SER A 65 -4.109 -7.118 -3.926 1.00 0.00 C ATOM 979 C SER A 65 -2.945 -7.210 -4.870 1.00 0.00 C ATOM 980 O SER A 65 -1.835 -7.339 -4.370 1.00 0.00 O ATOM 981 CB SER A 65 -4.894 -8.412 -3.868 1.00 0.00 C ATOM 982 OG SER A 65 -5.796 -8.550 -4.964 1.00 0.00 O ATOM 0 H SER A 65 -5.522 -6.358 -5.115 1.00 0.00 H new ATOM 0 HA SER A 65 -3.599 -6.855 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.202 -9.254 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.453 -8.453 -2.933 1.00 0.00 H new ATOM 0 HG SER A 65 -6.279 -9.399 -4.885 1.00 0.00 H new ATOM 988 N GLY A 66 -3.197 -7.147 -6.163 1.00 0.00 N ATOM 989 CA GLY A 66 -2.330 -6.983 -7.281 1.00 0.00 C ATOM 990 C GLY A 66 -1.539 -5.711 -7.150 1.00 0.00 C ATOM 991 O GLY A 66 -0.351 -5.754 -7.392 1.00 0.00 O ATOM 0 H GLY A 66 -4.163 -7.223 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.653 -7.834 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.913 -6.963 -8.202 1.00 0.00 H new ATOM 995 N ILE A 67 -2.125 -4.620 -6.662 1.00 0.00 N ATOM 996 CA ILE A 67 -1.355 -3.399 -6.509 1.00 0.00 C ATOM 997 C ILE A 67 -0.300 -3.492 -5.429 1.00 0.00 C ATOM 998 O ILE A 67 0.843 -3.043 -5.523 1.00 0.00 O ATOM 999 CB ILE A 67 -2.210 -2.178 -6.161 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.311 -2.456 -5.152 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.760 -1.418 -7.333 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.500 -1.480 -5.078 1.00 0.00 C ATOM 0 H ILE A 67 -3.102 -4.560 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.896 -3.276 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.477 -1.525 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.709 -3.449 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.853 -2.497 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.350 -0.574 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.938 -1.052 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.393 -2.076 -7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.199 -1.815 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.137 -0.483 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.007 -1.450 -6.043 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.705 -4.108 -4.342 1.00 0.00 N ATOM 1015 CA VAL A 68 0.185 -4.390 -3.235 1.00 0.00 C ATOM 1016 C VAL A 68 1.176 -5.417 -3.736 1.00 0.00 C ATOM 1017 O VAL A 68 2.349 -5.443 -3.384 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.690 -4.936 -2.111 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.018 -4.791 -0.777 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -2.012 -4.191 -2.047 1.00 0.00 C ATOM 0 H VAL A 68 -1.663 -4.429 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 68 0.733 -3.523 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.880 -5.989 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.617 -5.184 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.956 -5.347 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.225 -3.738 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.620 -4.597 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.825 -3.133 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.542 -4.308 -2.993 1.00 0.00 H new ATOM 1030 N ASN A 69 0.686 -6.243 -4.631 1.00 0.00 N ATOM 1031 CA ASN A 69 1.455 -7.137 -5.455 1.00 0.00 C ATOM 1032 C ASN A 69 2.407 -6.424 -6.372 1.00 0.00 C ATOM 1033 O ASN A 69 3.444 -7.003 -6.653 1.00 0.00 O ATOM 1034 CB ASN A 69 0.600 -8.128 -6.156 1.00 0.00 C ATOM 1035 CG ASN A 69 0.495 -9.505 -5.509 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.177 -9.848 -4.538 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.466 -10.284 -5.968 1.00 0.00 N ATOM 0 H ASN A 69 -0.316 -6.310 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 69 2.089 -7.708 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.404 -7.713 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.982 -8.254 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.653 -11.181 -5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.022 -9.989 -6.771 1.00 0.00 H new ATOM 1044 N THR A 70 2.150 -5.191 -6.783 1.00 0.00 N ATOM 1045 CA THR A 70 3.016 -4.542 -7.724 1.00 0.00 C ATOM 1046 C THR A 70 4.273 -4.170 -6.936 1.00 0.00 C ATOM 1047 O THR A 70 5.418 -4.377 -7.352 1.00 0.00 O ATOM 1048 CB THR A 70 2.326 -3.305 -8.343 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.111 -3.651 -8.964 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.171 -2.462 -9.298 1.00 0.00 C ATOM 0 H THR A 70 1.353 -4.633 -6.476 1.00 0.00 H new ATOM 0 HA THR A 70 3.266 -5.187 -8.566 1.00 0.00 H new ATOM 0 HB THR A 70 2.150 -2.663 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.256 -3.764 -9.927 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.578 -1.625 -9.666 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.046 -2.083 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.492 -3.077 -10.139 1.00 0.00 H new ATOM 1058 N VAL A 71 4.049 -3.747 -5.687 1.00 0.00 N ATOM 1059 CA VAL A 71 5.069 -3.582 -4.699 1.00 0.00 C ATOM 1060 C VAL A 71 5.719 -4.895 -4.471 1.00 0.00 C ATOM 1061 O VAL A 71 6.929 -4.928 -4.418 1.00 0.00 O ATOM 1062 CB VAL A 71 4.506 -3.035 -3.383 1.00 0.00 C ATOM 1063 CG1 VAL A 71 5.500 -3.156 -2.266 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.268 -1.590 -3.655 1.00 0.00 C ATOM 0 H VAL A 71 3.118 -3.508 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 71 5.795 -2.854 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 71 3.613 -3.581 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.066 -2.758 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.758 -4.205 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.399 -2.593 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.862 -1.114 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.209 -1.111 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.558 -1.486 -4.476 1.00 0.00 H new ATOM 1074 N LYS A 72 4.976 -5.979 -4.337 1.00 0.00 N ATOM 1075 CA LYS A 72 5.608 -7.254 -3.973 1.00 0.00 C ATOM 1076 C LYS A 72 6.588 -7.820 -4.967 1.00 0.00 C ATOM 1077 O LYS A 72 7.084 -8.925 -4.806 1.00 0.00 O ATOM 1078 CB LYS A 72 4.536 -8.305 -3.772 1.00 0.00 C ATOM 1079 CG LYS A 72 4.681 -8.649 -2.325 1.00 0.00 C ATOM 1080 CD LYS A 72 4.040 -7.476 -1.577 1.00 0.00 C ATOM 1081 CE LYS A 72 2.529 -7.583 -1.241 1.00 0.00 C ATOM 1082 NZ LYS A 72 1.856 -8.832 -1.684 1.00 0.00 N ATOM 0 H LYS A 72 3.965 -6.014 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 72 6.175 -7.020 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.542 -7.919 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.694 -9.173 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.181 -9.589 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.729 -8.768 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.584 -7.335 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.190 -6.575 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.408 -7.491 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.014 -6.735 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.843 -8.780 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.975 -8.945 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.279 -9.647 -1.195 1.00 0.00 H new ATOM 1096 N GLN A 73 6.772 -7.072 -6.021 1.00 0.00 N ATOM 1097 CA GLN A 73 7.493 -7.319 -7.204 1.00 0.00 C ATOM 1098 C GLN A 73 8.575 -6.278 -7.322 1.00 0.00 C ATOM 1099 O GLN A 73 9.730 -6.645 -7.392 1.00 0.00 O ATOM 1100 CB GLN A 73 6.559 -7.529 -8.399 1.00 0.00 C ATOM 1101 CG GLN A 73 5.682 -8.705 -7.965 1.00 0.00 C ATOM 1102 CD GLN A 73 4.709 -9.236 -8.998 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.065 -9.998 -9.889 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.452 -8.866 -8.832 1.00 0.00 N ATOM 0 H GLN A 73 6.350 -6.144 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 73 8.021 -8.272 -7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.964 -6.639 -8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.115 -7.757 -9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.334 -9.523 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.115 -8.402 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.204 -8.229 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.730 -9.217 -9.461 1.00 0.00 H new ATOM 1113 N TRP A 74 8.269 -5.001 -7.148 1.00 0.00 N ATOM 1114 CA TRP A 74 9.247 -3.962 -6.910 1.00 0.00 C ATOM 1115 C TRP A 74 10.024 -4.236 -5.619 1.00 0.00 C ATOM 1116 O TRP A 74 11.187 -4.600 -5.677 1.00 0.00 O ATOM 1117 CB TRP A 74 8.647 -2.592 -6.970 1.00 0.00 C ATOM 1118 CG TRP A 74 9.737 -1.614 -7.283 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.165 -1.320 -8.522 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.589 -0.838 -6.409 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.300 -0.545 -8.484 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.573 -0.161 -7.196 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.554 -0.561 -5.039 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.483 0.753 -6.651 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.400 0.415 -4.514 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.376 1.063 -5.289 1.00 0.00 C ATOM 0 H TRP A 74 7.310 -4.655 -7.170 1.00 0.00 H new ATOM 0 HA TRP A 74 9.973 -3.985 -7.723 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.870 -2.551 -7.733 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.174 -2.343 -6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.681 -1.649 -9.429 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.860 -0.292 -9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.877 -1.099 -4.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.247 1.207 -7.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.301 0.683 -3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.036 1.791 -4.840 1.00 0.00 H new ATOM 1137 N ARG A 75 9.408 -4.177 -4.437 1.00 0.00 N ATOM 1138 CA ARG A 75 9.983 -4.590 -3.155 1.00 0.00 C ATOM 1139 C ARG A 75 10.529 -6.007 -3.121 1.00 0.00 C ATOM 1140 O ARG A 75 11.194 -6.331 -2.141 1.00 0.00 O ATOM 1141 CB ARG A 75 8.945 -4.452 -1.971 1.00 0.00 C ATOM 1142 CG ARG A 75 8.773 -3.074 -1.263 1.00 0.00 C ATOM 1143 CD ARG A 75 9.176 -2.874 0.214 1.00 0.00 C ATOM 1144 NE ARG A 75 9.592 -1.476 0.452 1.00 0.00 N ATOM 1145 CZ ARG A 75 10.474 -0.981 1.337 1.00 0.00 C ATOM 1146 NH1 ARG A 75 11.123 -1.744 2.204 1.00 0.00 N ATOM 1147 NH2 ARG A 75 10.735 0.311 1.321 1.00 0.00 N ATOM 0 H ARG A 75 8.455 -3.826 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 75 10.821 -3.905 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.969 -4.747 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.220 -5.180 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.335 -2.345 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.720 -2.805 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.337 -3.126 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.991 -3.551 0.470 1.00 0.00 H new ATOM 0 HE ARG A 75 9.142 -0.782 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.962 -2.751 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.784 -1.324 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.270 0.917 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.402 0.705 1.985 1.00 0.00 H new ATOM 1161 N ALA A 76 10.330 -6.806 -4.161 1.00 0.00 N ATOM 1162 CA ALA A 76 10.972 -8.109 -4.274 1.00 0.00 C ATOM 1163 C ALA A 76 12.122 -8.193 -5.256 1.00 0.00 C ATOM 1164 O ALA A 76 13.053 -8.970 -5.070 1.00 0.00 O ATOM 1165 CB ALA A 76 9.935 -9.180 -4.559 1.00 0.00 C ATOM 0 H ALA A 76 9.723 -6.571 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 76 11.438 -8.279 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.426 -10.149 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.209 -9.209 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.424 -8.952 -5.494 1.00 0.00 H new ATOM 1171 N ALA A 77 12.079 -7.350 -6.265 1.00 0.00 N ATOM 1172 CA ALA A 77 13.015 -7.349 -7.385 1.00 0.00 C ATOM 1173 C ALA A 77 14.114 -6.341 -7.159 1.00 0.00 C ATOM 1174 O ALA A 77 15.289 -6.565 -7.432 1.00 0.00 O ATOM 1175 CB ALA A 77 12.283 -6.959 -8.666 1.00 0.00 C ATOM 0 H ALA A 77 11.371 -6.620 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 77 13.440 -8.349 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.984 -6.959 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.486 -7.676 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.855 -5.963 -8.552 1.00 0.00 H new ATOM 1181 N ASN A 78 13.684 -5.220 -6.605 1.00 0.00 N ATOM 1182 CA ASN A 78 14.502 -4.277 -5.905 1.00 0.00 C ATOM 1183 C ASN A 78 15.012 -4.851 -4.595 1.00 0.00 C ATOM 1184 O ASN A 78 15.927 -4.329 -3.973 1.00 0.00 O ATOM 1185 CB ASN A 78 13.637 -3.040 -5.683 1.00 0.00 C ATOM 1186 CG ASN A 78 14.517 -1.792 -5.710 1.00 0.00 C ATOM 1187 OD1 ASN A 78 14.835 -1.185 -4.698 1.00 0.00 O ATOM 1188 ND2 ASN A 78 14.967 -1.394 -6.889 1.00 0.00 N ATOM 0 H ASN A 78 12.704 -4.940 -6.640 1.00 0.00 H new ATOM 0 HA ASN A 78 15.393 -4.026 -6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.871 -2.975 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.119 -3.112 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.579 -0.581 -6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.702 -1.901 -7.734 1.00 0.00 H new ATOM 1195 N GLY A 79 14.383 -5.953 -4.208 1.00 0.00 N ATOM 1196 CA GLY A 79 14.779 -6.825 -3.120 1.00 0.00 C ATOM 1197 C GLY A 79 14.584 -6.127 -1.790 1.00 0.00 C ATOM 1198 O GLY A 79 15.261 -6.486 -0.826 1.00 0.00 O ATOM 0 H GLY A 79 13.535 -6.277 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.190 -7.742 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.824 -7.113 -3.238 1.00 0.00 H new ATOM 1202 N LYS A 80 13.690 -5.121 -1.761 1.00 0.00 N ATOM 1203 CA LYS A 80 13.610 -4.135 -0.668 1.00 0.00 C ATOM 1204 C LYS A 80 13.734 -4.786 0.697 1.00 0.00 C ATOM 1205 O LYS A 80 14.468 -4.357 1.581 1.00 0.00 O ATOM 1206 CB LYS A 80 12.390 -3.252 -0.684 1.00 0.00 C ATOM 1207 CG LYS A 80 12.236 -2.615 -2.025 1.00 0.00 C ATOM 1208 CD LYS A 80 12.903 -1.411 -2.395 1.00 0.00 C ATOM 1209 CE LYS A 80 12.366 -0.205 -1.692 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.146 1.022 -1.972 1.00 0.00 N ATOM 0 H LYS A 80 13.001 -4.969 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 80 14.465 -3.486 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.503 -3.840 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.477 -2.484 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.525 -3.367 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.170 -2.432 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.966 -1.509 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.812 -1.268 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.330 -0.047 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.362 -0.389 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.510 1.845 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.874 1.145 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.602 0.938 -2.903 1.00 0.00 H new ATOM 1224 N SER A 81 12.943 -5.845 0.806 1.00 0.00 N ATOM 1225 CA SER A 81 12.526 -6.517 1.980 1.00 0.00 C ATOM 1226 C SER A 81 11.761 -5.510 2.811 1.00 0.00 C ATOM 1227 O SER A 81 11.282 -4.480 2.333 1.00 0.00 O ATOM 1228 CB SER A 81 13.671 -7.258 2.583 1.00 0.00 C ATOM 1229 OG SER A 81 14.461 -7.958 1.635 1.00 0.00 O ATOM 0 H SER A 81 12.549 -6.282 -0.027 1.00 0.00 H new ATOM 0 HA SER A 81 11.820 -7.332 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.305 -6.553 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.287 -7.967 3.317 1.00 0.00 H new ATOM 0 HG SER A 81 14.789 -7.332 0.956 1.00 0.00 H new ATOM 1235 N GLY A 82 11.594 -5.874 4.052 1.00 0.00 N ATOM 1236 CA GLY A 82 11.317 -4.904 5.083 1.00 0.00 C ATOM 1237 C GLY A 82 9.893 -4.738 5.509 1.00 0.00 C ATOM 1238 O GLY A 82 9.531 -3.647 5.915 1.00 0.00 O ATOM 0 H GLY A 82 11.645 -6.839 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.902 -5.171 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.681 -3.935 4.740 1.00 0.00 H new ATOM 1242 N PHE A 83 9.100 -5.779 5.359 1.00 0.00 N ATOM 1243 CA PHE A 83 7.903 -5.911 6.130 1.00 0.00 C ATOM 1244 C PHE A 83 8.325 -6.658 7.404 1.00 0.00 C ATOM 1245 O PHE A 83 9.472 -6.674 7.855 1.00 0.00 O ATOM 1246 CB PHE A 83 6.832 -6.699 5.375 1.00 0.00 C ATOM 1247 CG PHE A 83 6.150 -6.009 4.264 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.183 -5.023 4.508 1.00 0.00 C ATOM 1249 CD2 PHE A 83 6.402 -6.459 2.979 1.00 0.00 C ATOM 1250 CE1 PHE A 83 4.573 -4.414 3.413 1.00 0.00 C ATOM 1251 CE2 PHE A 83 5.834 -5.811 1.892 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.900 -4.779 2.082 1.00 0.00 C ATOM 0 H PHE A 83 9.272 -6.543 4.705 1.00 0.00 H new ATOM 0 HA PHE A 83 7.463 -4.938 6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.293 -7.604 4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.075 -7.015 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.918 -4.743 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.041 -7.315 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.833 -3.645 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.112 -6.103 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.445 -4.279 1.240 1.00 0.00 H new ATOM 1262 N LYS A 84 7.317 -7.319 7.923 1.00 0.00 N ATOM 1263 CA LYS A 84 6.987 -7.995 9.104 1.00 0.00 C ATOM 1264 C LYS A 84 6.267 -9.269 8.714 1.00 0.00 C ATOM 1265 O LYS A 84 6.010 -9.546 7.541 1.00 0.00 O ATOM 1266 CB LYS A 84 6.276 -6.963 9.913 1.00 0.00 C ATOM 1267 CG LYS A 84 6.248 -7.211 11.423 1.00 0.00 C ATOM 1268 CD LYS A 84 6.065 -5.865 12.112 1.00 0.00 C ATOM 1269 CE LYS A 84 5.457 -6.025 13.504 1.00 0.00 C ATOM 1270 NZ LYS A 84 5.041 -4.732 14.098 1.00 0.00 N ATOM 0 H LYS A 84 6.497 -7.391 7.320 1.00 0.00 H new ATOM 0 HA LYS A 84 7.794 -8.371 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.746 -5.997 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.249 -6.891 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.434 -7.888 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.174 -7.685 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.029 -5.362 12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.422 -5.229 11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.594 -6.688 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.183 -6.505 14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.486 -4.908 14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.884 -4.173 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.460 -4.206 13.414 1.00 0.00 H new ATOM 1284 N GLN A 85 5.928 -10.018 9.734 1.00 0.00 N ATOM 1285 CA GLN A 85 5.183 -11.271 9.683 1.00 0.00 C ATOM 1286 C GLN A 85 4.010 -11.226 10.638 1.00 0.00 C ATOM 1287 O GLN A 85 2.868 -11.455 10.247 1.00 0.00 O ATOM 1288 CB GLN A 85 6.032 -12.486 9.782 1.00 0.00 C ATOM 1289 CG GLN A 85 6.051 -13.400 8.548 1.00 0.00 C ATOM 1290 CD GLN A 85 6.801 -14.704 8.813 1.00 0.00 C ATOM 1291 OE1 GLN A 85 7.966 -14.715 9.186 1.00 0.00 O ATOM 1292 NE2 GLN A 85 6.153 -15.844 8.630 1.00 0.00 N ATOM 0 H GLN A 85 6.177 -9.760 10.689 1.00 0.00 H new ATOM 0 HA GLN A 85 4.763 -11.368 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.055 -12.174 9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.695 -13.071 10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.028 -13.625 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.519 -12.875 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.182 -15.834 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.625 -16.732 8.800 1.00 0.00 H new ATOM 1301 N GLY A 86 4.341 -10.858 11.864 1.00 0.00 N ATOM 1302 CA GLY A 86 3.488 -10.315 12.891 1.00 0.00 C ATOM 1303 C GLY A 86 4.365 -9.366 13.698 1.00 0.00 C ATOM 1304 O GLY A 86 5.607 -9.490 13.570 1.00 0.00 O ATOM 1305 OXT GLY A 86 3.804 -8.468 14.353 1.00 0.00 O ATOM 0 H GLY A 86 5.304 -10.942 12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.639 -9.788 12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.083 -11.106 13.522 1.00 0.00 H new