USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 3 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Set 1.2: A 45 TYR OH : rot 165:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -169:sc= 0 (180deg=-0.0463) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0.0183 (180deg=0.0161) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.12 X(o=0.12,f=-0.22) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -105:sc= 0.0457 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.95 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 43:sc= 0.912 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -6.99! C(o=-7!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 57 THR OG1 : rot 91:sc= 0.153 USER MOD Single : A 59 SER OG : rot -161:sc= 0.635 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.76 K(o=-0.76,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0039) USER MOD Single : A 69 MET CE :methyl -141:sc= -0.199 (180deg=-1.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 96:sc= 0.456 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 18.942 -9.694 -12.843 1.00 0.00 N ATOM 2 CA GLY A -5 18.662 -9.234 -11.496 1.00 0.00 C ATOM 3 C GLY A -5 18.810 -7.731 -11.354 1.00 0.00 C ATOM 4 O GLY A -5 19.506 -7.092 -12.142 1.00 0.00 O ATOM 0 H1 GLY A -5 18.050 -9.931 -13.321 1.00 0.00 H new ATOM 0 H2 GLY A -5 19.429 -8.943 -13.372 1.00 0.00 H new ATOM 0 H3 GLY A -5 19.548 -10.538 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A -5 17.648 -9.524 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A -5 19.337 -9.730 -10.798 1.00 0.00 H new ATOM 8 N SER A -4 18.153 -7.166 -10.346 1.00 0.00 N ATOM 9 CA SER A -4 18.209 -5.729 -10.107 1.00 0.00 C ATOM 10 C SER A -4 19.474 -5.356 -9.338 1.00 0.00 C ATOM 11 O SER A -4 20.153 -6.219 -8.782 1.00 0.00 O ATOM 12 CB SER A -4 16.974 -5.271 -9.330 1.00 0.00 C ATOM 13 OG SER A -4 15.785 -5.556 -10.048 1.00 0.00 O ATOM 0 H SER A -4 17.576 -7.682 -9.682 1.00 0.00 H new ATOM 0 HA SER A -4 18.229 -5.225 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A -4 16.945 -5.768 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A -4 17.038 -4.200 -9.137 1.00 0.00 H new ATOM 0 HG SER A -4 15.010 -5.255 -9.530 1.00 0.00 H new ATOM 19 N SER A -3 19.783 -4.064 -9.312 1.00 0.00 N ATOM 20 CA SER A -3 20.968 -3.575 -8.617 1.00 0.00 C ATOM 21 C SER A -3 21.009 -2.050 -8.619 1.00 0.00 C ATOM 22 O SER A -3 20.507 -1.406 -9.540 1.00 0.00 O ATOM 23 CB SER A -3 22.235 -4.132 -9.269 1.00 0.00 C ATOM 24 OG SER A -3 23.373 -3.889 -8.460 1.00 0.00 O ATOM 0 H SER A -3 19.229 -3.337 -9.764 1.00 0.00 H new ATOM 0 HA SER A -3 20.920 -3.918 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A -3 22.123 -5.204 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A -3 22.376 -3.674 -10.248 1.00 0.00 H new ATOM 0 HG SER A -3 24.170 -4.256 -8.897 1.00 0.00 H new ATOM 30 N GLY A -2 21.611 -1.478 -7.581 1.00 0.00 N ATOM 31 CA GLY A -2 21.707 -0.033 -7.482 1.00 0.00 C ATOM 32 C GLY A -2 21.912 0.437 -6.055 1.00 0.00 C ATOM 33 O GLY A -2 22.809 -0.038 -5.360 1.00 0.00 O ATOM 0 H GLY A -2 22.034 -1.989 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A -2 22.535 0.316 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.799 0.417 -7.883 1.00 0.00 H new ATOM 37 N SER A -1 21.078 1.376 -5.619 1.00 0.00 N ATOM 38 CA SER A -1 21.175 1.916 -4.268 1.00 0.00 C ATOM 39 C SER A -1 19.875 1.695 -3.500 1.00 0.00 C ATOM 40 O SER A -1 18.919 1.125 -4.026 1.00 0.00 O ATOM 41 CB SER A -1 21.505 3.409 -4.315 1.00 0.00 C ATOM 42 OG SER A -1 20.389 4.164 -4.754 1.00 0.00 O ATOM 0 H SER A -1 20.328 1.778 -6.181 1.00 0.00 H new ATOM 0 HA SER A -1 21.977 1.390 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A -1 21.811 3.748 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A -1 22.348 3.577 -4.985 1.00 0.00 H new ATOM 0 HG SER A -1 20.625 5.115 -4.774 1.00 0.00 H new ATOM 48 N SER A 0 19.849 2.150 -2.251 1.00 0.00 N ATOM 49 CA SER A 0 18.668 1.999 -1.408 1.00 0.00 C ATOM 50 C SER A 0 17.852 3.287 -1.381 1.00 0.00 C ATOM 51 O SER A 0 18.399 4.384 -1.477 1.00 0.00 O ATOM 52 CB SER A 0 19.077 1.611 0.014 1.00 0.00 C ATOM 53 OG SER A 0 20.019 2.529 0.543 1.00 0.00 O ATOM 0 H SER A 0 20.631 2.626 -1.801 1.00 0.00 H new ATOM 0 HA SER A 0 18.050 1.207 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 0 18.195 1.581 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.504 0.608 0.012 1.00 0.00 H new ATOM 0 HG SER A 0 20.263 2.260 1.453 1.00 0.00 H new ATOM 59 N GLY A 1 16.536 3.145 -1.249 1.00 0.00 N ATOM 60 CA GLY A 1 15.664 4.304 -1.211 1.00 0.00 C ATOM 61 C GLY A 1 14.407 4.058 -0.401 1.00 0.00 C ATOM 62 O GLY A 1 14.316 3.074 0.332 1.00 0.00 O ATOM 0 H GLY A 1 16.059 2.247 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.206 5.149 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.388 4.581 -2.229 1.00 0.00 H new ATOM 66 N MET A 2 13.436 4.956 -0.531 1.00 0.00 N ATOM 67 CA MET A 2 12.178 4.831 0.196 1.00 0.00 C ATOM 68 C MET A 2 11.028 4.520 -0.757 1.00 0.00 C ATOM 69 O MET A 2 10.789 5.254 -1.715 1.00 0.00 O ATOM 70 CB MET A 2 11.881 6.118 0.969 1.00 0.00 C ATOM 71 CG MET A 2 11.077 5.891 2.239 1.00 0.00 C ATOM 72 SD MET A 2 11.887 4.752 3.380 1.00 0.00 S ATOM 73 CE MET A 2 10.712 3.400 3.399 1.00 0.00 C ATOM 0 H MET A 2 13.496 5.778 -1.133 1.00 0.00 H new ATOM 0 HA MET A 2 12.275 4.006 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 2 12.822 6.603 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 2 11.336 6.804 0.321 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.916 6.846 2.738 1.00 0.00 H new ATOM 0 HG3 MET A 2 10.094 5.499 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 2 10.968 2.707 4.201 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.709 3.792 3.564 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.744 2.877 2.443 1.00 0.00 H new ATOM 83 N ASN A 3 10.320 3.429 -0.487 1.00 0.00 N ATOM 84 CA ASN A 3 9.195 3.022 -1.322 1.00 0.00 C ATOM 85 C ASN A 3 7.891 3.055 -0.531 1.00 0.00 C ATOM 86 O ASN A 3 7.872 3.431 0.641 1.00 0.00 O ATOM 87 CB ASN A 3 9.430 1.616 -1.880 1.00 0.00 C ATOM 88 CG ASN A 3 10.872 1.393 -2.294 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.767 1.319 -1.452 1.00 0.00 O ATOM 90 ND2 ASN A 3 11.102 1.283 -3.597 1.00 0.00 N ATOM 0 H ASN A 3 10.505 2.811 0.303 1.00 0.00 H new ATOM 0 HA ASN A 3 9.115 3.726 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.152 0.878 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.779 1.455 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.052 1.131 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.329 1.351 -4.259 1.00 0.00 H new ATOM 97 N LYS A 4 6.801 2.660 -1.180 1.00 0.00 N ATOM 98 CA LYS A 4 5.492 2.641 -0.540 1.00 0.00 C ATOM 99 C LYS A 4 4.644 1.487 -1.065 1.00 0.00 C ATOM 100 O LYS A 4 4.979 0.867 -2.076 1.00 0.00 O ATOM 101 CB LYS A 4 4.767 3.969 -0.776 1.00 0.00 C ATOM 102 CG LYS A 4 5.529 5.177 -0.260 1.00 0.00 C ATOM 103 CD LYS A 4 4.672 6.432 -0.292 1.00 0.00 C ATOM 104 CE LYS A 4 5.526 7.690 -0.297 1.00 0.00 C ATOM 105 NZ LYS A 4 6.069 7.997 1.056 1.00 0.00 N ATOM 0 H LYS A 4 6.799 2.348 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 4 5.642 2.500 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.589 4.091 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.791 3.932 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.863 4.989 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.423 5.330 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.038 6.418 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.010 6.444 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.350 7.567 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.930 8.532 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.631 8.871 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.283 8.123 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.672 7.212 1.374 1.00 0.00 H new ATOM 119 N LEU A 5 3.545 1.205 -0.376 1.00 0.00 N ATOM 120 CA LEU A 5 2.647 0.126 -0.774 1.00 0.00 C ATOM 121 C LEU A 5 1.328 0.682 -1.301 1.00 0.00 C ATOM 122 O LEU A 5 0.691 1.514 -0.655 1.00 0.00 O ATOM 123 CB LEU A 5 2.385 -0.808 0.408 1.00 0.00 C ATOM 124 CG LEU A 5 3.603 -1.178 1.254 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.170 -1.840 2.553 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.538 -2.092 0.474 1.00 0.00 C ATOM 0 H LEU A 5 3.253 1.708 0.462 1.00 0.00 H new ATOM 0 HA LEU A 5 3.127 -0.437 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.645 -0.340 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.939 -1.727 0.027 1.00 0.00 H new ATOM 0 HG LEU A 5 4.142 -0.263 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.051 -2.096 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.542 -1.153 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.607 -2.746 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.399 -2.345 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.009 -3.004 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.876 -1.582 -0.428 1.00 0.00 H new ATOM 138 N TYR A 6 0.922 0.212 -2.476 1.00 0.00 N ATOM 139 CA TYR A 6 -0.321 0.662 -3.089 1.00 0.00 C ATOM 140 C TYR A 6 -1.473 -0.275 -2.737 1.00 0.00 C ATOM 141 O TYR A 6 -1.358 -1.494 -2.869 1.00 0.00 O ATOM 142 CB TYR A 6 -0.164 0.746 -4.608 1.00 0.00 C ATOM 143 CG TYR A 6 -1.480 0.778 -5.353 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.118 -0.400 -5.726 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.084 1.983 -5.684 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.319 -0.376 -6.407 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.287 2.017 -6.363 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.900 0.834 -6.723 1.00 0.00 C ATOM 149 OH TYR A 6 -5.098 0.863 -7.400 1.00 0.00 O ATOM 0 H TYR A 6 1.436 -0.480 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.550 1.653 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.406 1.641 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.418 -0.109 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.667 -1.350 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.605 2.910 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.801 -1.300 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.745 2.963 -6.610 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.370 1.793 -7.543 1.00 0.00 H new ATOM 159 N ILE A 7 -2.582 0.303 -2.289 1.00 0.00 N ATOM 160 CA ILE A 7 -3.755 -0.478 -1.919 1.00 0.00 C ATOM 161 C ILE A 7 -4.910 -0.226 -2.882 1.00 0.00 C ATOM 162 O ILE A 7 -5.353 0.909 -3.052 1.00 0.00 O ATOM 163 CB ILE A 7 -4.217 -0.158 -0.486 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.046 -0.286 0.492 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.358 -1.077 -0.079 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.321 0.328 1.847 1.00 0.00 C ATOM 0 H ILE A 7 -2.693 1.310 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.464 -1.527 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.578 0.870 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.805 -1.341 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.167 0.190 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.673 -0.838 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.197 -0.939 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.023 -2.113 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.449 0.200 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.532 1.391 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.181 -0.164 2.302 1.00 0.00 H new ATOM 178 N GLY A 8 -5.394 -1.293 -3.510 1.00 0.00 N ATOM 179 CA GLY A 8 -6.495 -1.167 -4.447 1.00 0.00 C ATOM 180 C GLY A 8 -7.755 -1.853 -3.959 1.00 0.00 C ATOM 181 O GLY A 8 -7.720 -2.614 -2.992 1.00 0.00 O ATOM 0 H GLY A 8 -5.043 -2.243 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.703 -0.111 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.202 -1.593 -5.406 1.00 0.00 H new ATOM 185 N ASN A 9 -8.872 -1.583 -4.628 1.00 0.00 N ATOM 186 CA ASN A 9 -10.149 -2.180 -4.253 1.00 0.00 C ATOM 187 C ASN A 9 -10.624 -1.646 -2.906 1.00 0.00 C ATOM 188 O ASN A 9 -11.148 -2.395 -2.078 1.00 0.00 O ATOM 189 CB ASN A 9 -10.027 -3.704 -4.198 1.00 0.00 C ATOM 190 CG ASN A 9 -11.352 -4.399 -4.445 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.805 -4.509 -5.584 1.00 0.00 O ATOM 192 ND2 ASN A 9 -11.980 -4.872 -3.374 1.00 0.00 N ATOM 0 H ASN A 9 -8.919 -0.956 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.885 -1.909 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.302 -4.035 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.641 -4.000 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.875 -5.349 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.567 -4.758 -2.449 1.00 0.00 H new ATOM 199 N LEU A 10 -10.440 -0.348 -2.690 1.00 0.00 N ATOM 200 CA LEU A 10 -10.850 0.287 -1.443 1.00 0.00 C ATOM 201 C LEU A 10 -12.218 0.943 -1.590 1.00 0.00 C ATOM 202 O LEU A 10 -12.367 1.940 -2.297 1.00 0.00 O ATOM 203 CB LEU A 10 -9.816 1.329 -1.014 1.00 0.00 C ATOM 204 CG LEU A 10 -8.514 0.780 -0.426 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.545 1.913 -0.125 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.796 -0.032 0.829 1.00 0.00 C ATOM 0 H LEU A 10 -10.009 0.286 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.918 -0.485 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.570 1.945 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.276 1.986 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.053 0.122 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.625 1.504 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.318 2.452 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.997 2.597 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.859 -0.414 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.280 0.602 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.452 -0.867 0.582 1.00 0.00 H new ATOM 218 N SER A 11 -13.216 0.378 -0.918 1.00 0.00 N ATOM 219 CA SER A 11 -14.574 0.907 -0.976 1.00 0.00 C ATOM 220 C SER A 11 -14.563 2.433 -0.956 1.00 0.00 C ATOM 221 O SER A 11 -13.745 3.065 -0.287 1.00 0.00 O ATOM 222 CB SER A 11 -15.401 0.377 0.197 1.00 0.00 C ATOM 223 OG SER A 11 -16.772 0.282 -0.149 1.00 0.00 O ATOM 0 H SER A 11 -13.110 -0.446 -0.327 1.00 0.00 H new ATOM 0 HA SER A 11 -15.027 0.576 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.029 -0.603 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.284 1.037 1.056 1.00 0.00 H new ATOM 0 HG SER A 11 -17.280 -0.061 0.616 1.00 0.00 H new ATOM 229 N PRO A 12 -15.493 3.040 -1.708 1.00 0.00 N ATOM 230 CA PRO A 12 -15.613 4.499 -1.793 1.00 0.00 C ATOM 231 C PRO A 12 -16.118 5.116 -0.494 1.00 0.00 C ATOM 232 O PRO A 12 -16.326 6.327 -0.411 1.00 0.00 O ATOM 233 CB PRO A 12 -16.633 4.705 -2.916 1.00 0.00 C ATOM 234 CG PRO A 12 -17.441 3.454 -2.929 1.00 0.00 C ATOM 235 CD PRO A 12 -16.500 2.350 -2.531 1.00 0.00 C ATOM 0 HA PRO A 12 -14.651 4.977 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.258 5.578 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.139 4.867 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.278 3.523 -2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.861 3.271 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.012 1.569 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.049 1.873 -3.401 1.00 0.00 H new ATOM 243 N ALA A 13 -16.313 4.278 0.518 1.00 0.00 N ATOM 244 CA ALA A 13 -16.792 4.742 1.814 1.00 0.00 C ATOM 245 C ALA A 13 -15.693 4.657 2.868 1.00 0.00 C ATOM 246 O ALA A 13 -15.772 5.299 3.915 1.00 0.00 O ATOM 247 CB ALA A 13 -18.007 3.936 2.249 1.00 0.00 C ATOM 0 H ALA A 13 -16.146 3.273 0.465 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.082 5.788 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.353 4.294 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.803 4.053 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.736 2.883 2.327 1.00 0.00 H new ATOM 253 N VAL A 14 -14.669 3.860 2.584 1.00 0.00 N ATOM 254 CA VAL A 14 -13.552 3.690 3.508 1.00 0.00 C ATOM 255 C VAL A 14 -12.916 5.032 3.853 1.00 0.00 C ATOM 256 O VAL A 14 -13.085 6.016 3.132 1.00 0.00 O ATOM 257 CB VAL A 14 -12.475 2.760 2.922 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.370 2.515 3.938 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.095 1.445 2.469 1.00 0.00 C ATOM 0 H VAL A 14 -14.589 3.321 1.722 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.957 3.239 4.414 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.034 3.247 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.618 1.855 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.908 3.464 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.792 2.050 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.319 0.800 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.564 0.951 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.847 1.641 1.705 1.00 0.00 H new ATOM 269 N THR A 15 -12.184 5.066 4.962 1.00 0.00 N ATOM 270 CA THR A 15 -11.522 6.287 5.403 1.00 0.00 C ATOM 271 C THR A 15 -10.177 5.980 6.051 1.00 0.00 C ATOM 272 O THR A 15 -9.928 4.854 6.482 1.00 0.00 O ATOM 273 CB THR A 15 -12.395 7.068 6.404 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.842 6.197 7.449 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.596 7.688 5.706 1.00 0.00 C ATOM 0 H THR A 15 -12.035 4.262 5.571 1.00 0.00 H new ATOM 0 HA THR A 15 -11.363 6.899 4.515 1.00 0.00 H new ATOM 0 HB THR A 15 -11.790 7.868 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.395 6.702 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.197 8.234 6.433 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.253 8.373 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.200 6.901 5.253 1.00 0.00 H new ATOM 283 N ALA A 16 -9.314 6.988 6.118 1.00 0.00 N ATOM 284 CA ALA A 16 -7.995 6.825 6.717 1.00 0.00 C ATOM 285 C ALA A 16 -8.097 6.240 8.121 1.00 0.00 C ATOM 286 O ALA A 16 -7.234 5.474 8.549 1.00 0.00 O ATOM 287 CB ALA A 16 -7.264 8.160 6.752 1.00 0.00 C ATOM 0 H ALA A 16 -9.504 7.926 5.765 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.428 6.127 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.280 8.025 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.150 8.539 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.838 8.874 7.343 1.00 0.00 H new ATOM 293 N ASP A 17 -9.158 6.605 8.833 1.00 0.00 N ATOM 294 CA ASP A 17 -9.373 6.113 10.189 1.00 0.00 C ATOM 295 C ASP A 17 -9.500 4.593 10.204 1.00 0.00 C ATOM 296 O ASP A 17 -8.937 3.922 11.067 1.00 0.00 O ATOM 297 CB ASP A 17 -10.628 6.749 10.792 1.00 0.00 C ATOM 298 CG ASP A 17 -11.292 5.856 11.821 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.576 5.325 12.696 1.00 0.00 O ATOM 300 OD2 ASP A 17 -12.527 5.689 11.752 1.00 0.00 O ATOM 0 H ASP A 17 -9.882 7.239 8.494 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.508 6.392 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.363 7.699 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.338 6.971 9.995 1.00 0.00 H new ATOM 305 N ASP A 18 -10.246 4.059 9.243 1.00 0.00 N ATOM 306 CA ASP A 18 -10.448 2.617 9.145 1.00 0.00 C ATOM 307 C ASP A 18 -9.150 1.912 8.765 1.00 0.00 C ATOM 308 O ASP A 18 -8.860 0.819 9.255 1.00 0.00 O ATOM 309 CB ASP A 18 -11.534 2.302 8.115 1.00 0.00 C ATOM 310 CG ASP A 18 -12.280 1.021 8.434 1.00 0.00 C ATOM 311 OD1 ASP A 18 -11.644 0.074 8.942 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.500 0.967 8.176 1.00 0.00 O ATOM 0 H ASP A 18 -10.721 4.602 8.521 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.767 2.252 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.241 3.130 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.081 2.219 7.127 1.00 0.00 H new ATOM 317 N LEU A 19 -8.373 2.542 7.893 1.00 0.00 N ATOM 318 CA LEU A 19 -7.106 1.974 7.446 1.00 0.00 C ATOM 319 C LEU A 19 -6.126 1.849 8.608 1.00 0.00 C ATOM 320 O LEU A 19 -5.502 0.804 8.797 1.00 0.00 O ATOM 321 CB LEU A 19 -6.496 2.840 6.342 1.00 0.00 C ATOM 322 CG LEU A 19 -6.847 2.443 4.908 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.104 3.323 3.914 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.527 0.975 4.666 1.00 0.00 C ATOM 0 H LEU A 19 -8.598 3.447 7.480 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.303 0.978 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.812 3.871 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.411 2.819 6.449 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.917 2.589 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.366 3.026 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.383 4.365 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.030 3.209 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.784 0.711 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.463 0.803 4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.105 0.358 5.355 1.00 0.00 H new ATOM 336 N ARG A 20 -5.997 2.919 9.386 1.00 0.00 N ATOM 337 CA ARG A 20 -5.095 2.928 10.531 1.00 0.00 C ATOM 338 C ARG A 20 -5.561 1.943 11.599 1.00 0.00 C ATOM 339 O ARG A 20 -4.753 1.239 12.202 1.00 0.00 O ATOM 340 CB ARG A 20 -5.004 4.335 11.124 1.00 0.00 C ATOM 341 CG ARG A 20 -6.338 4.878 11.611 1.00 0.00 C ATOM 342 CD ARG A 20 -6.173 6.222 12.305 1.00 0.00 C ATOM 343 NE ARG A 20 -5.509 6.091 13.599 1.00 0.00 N ATOM 344 CZ ARG A 20 -5.310 7.109 14.428 1.00 0.00 C ATOM 345 NH1 ARG A 20 -5.722 8.325 14.101 1.00 0.00 N ATOM 346 NH2 ARG A 20 -4.698 6.910 15.589 1.00 0.00 N ATOM 0 H ARG A 20 -6.506 3.791 9.244 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.107 2.622 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.300 4.325 11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.599 5.012 10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.019 4.985 10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.793 4.165 12.299 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.595 6.891 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.152 6.681 12.444 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.180 5.168 13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.194 8.481 13.210 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.568 9.105 14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.380 5.975 15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.545 7.692 16.226 1.00 0.00 H new ATOM 360 N GLN A 21 -6.870 1.901 11.826 1.00 0.00 N ATOM 361 CA GLN A 21 -7.443 1.003 12.822 1.00 0.00 C ATOM 362 C GLN A 21 -7.330 -0.450 12.374 1.00 0.00 C ATOM 363 O GLN A 21 -7.093 -1.345 13.187 1.00 0.00 O ATOM 364 CB GLN A 21 -8.910 1.358 13.076 1.00 0.00 C ATOM 365 CG GLN A 21 -9.743 0.186 13.568 1.00 0.00 C ATOM 366 CD GLN A 21 -10.901 0.620 14.444 1.00 0.00 C ATOM 367 OE1 GLN A 21 -12.053 0.637 14.009 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.601 0.973 15.689 1.00 0.00 N ATOM 0 H GLN A 21 -7.553 2.477 11.334 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.881 1.123 13.748 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.959 2.162 13.811 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.347 1.742 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.128 -0.366 12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.105 -0.498 14.128 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.633 0.944 16.008 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.339 1.273 16.326 1.00 0.00 H new ATOM 377 N LEU A 22 -7.502 -0.679 11.077 1.00 0.00 N ATOM 378 CA LEU A 22 -7.419 -2.025 10.520 1.00 0.00 C ATOM 379 C LEU A 22 -6.022 -2.609 10.709 1.00 0.00 C ATOM 380 O LEU A 22 -5.867 -3.740 11.170 1.00 0.00 O ATOM 381 CB LEU A 22 -7.779 -2.006 9.033 1.00 0.00 C ATOM 382 CG LEU A 22 -7.823 -3.366 8.336 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.947 -4.221 8.901 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.988 -3.191 6.834 1.00 0.00 C ATOM 0 H LEU A 22 -7.700 0.050 10.391 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.131 -2.656 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.754 -1.531 8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.057 -1.377 8.513 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.878 -3.877 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.962 -5.185 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.785 -4.376 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.901 -3.715 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.017 -4.170 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.917 -2.659 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.148 -2.619 6.440 1.00 0.00 H new ATOM 396 N PHE A 23 -5.008 -1.827 10.353 1.00 0.00 N ATOM 397 CA PHE A 23 -3.623 -2.266 10.486 1.00 0.00 C ATOM 398 C PHE A 23 -3.269 -2.516 11.949 1.00 0.00 C ATOM 399 O PHE A 23 -2.676 -3.539 12.288 1.00 0.00 O ATOM 400 CB PHE A 23 -2.676 -1.220 9.892 1.00 0.00 C ATOM 401 CG PHE A 23 -2.385 -1.433 8.434 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.380 -1.266 7.484 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.117 -1.801 8.014 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.115 -1.461 6.141 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.847 -1.996 6.673 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.848 -1.828 5.735 1.00 0.00 C ATOM 0 H PHE A 23 -5.119 -0.888 9.971 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.510 -3.202 9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.111 -0.230 10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.738 -1.234 10.447 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.374 -0.980 7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.331 -1.937 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.899 -1.326 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.146 -2.280 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.639 -1.984 4.687 1.00 0.00 H new ATOM 416 N GLY A 24 -3.637 -1.574 12.810 1.00 0.00 N ATOM 417 CA GLY A 24 -3.350 -1.710 14.226 1.00 0.00 C ATOM 418 C GLY A 24 -3.989 -2.945 14.831 1.00 0.00 C ATOM 419 O GLY A 24 -3.392 -3.610 15.678 1.00 0.00 O ATOM 0 H GLY A 24 -4.129 -0.718 12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.271 -1.754 14.372 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.707 -0.825 14.753 1.00 0.00 H new ATOM 423 N ASP A 25 -5.207 -3.250 14.398 1.00 0.00 N ATOM 424 CA ASP A 25 -5.929 -4.412 14.903 1.00 0.00 C ATOM 425 C ASP A 25 -5.190 -5.703 14.559 1.00 0.00 C ATOM 426 O ASP A 25 -5.346 -6.718 15.236 1.00 0.00 O ATOM 427 CB ASP A 25 -7.344 -4.451 14.325 1.00 0.00 C ATOM 428 CG ASP A 25 -8.334 -5.117 15.261 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.877 -4.419 16.143 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.564 -6.336 15.112 1.00 0.00 O ATOM 0 H ASP A 25 -5.715 -2.709 13.698 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.990 -4.327 15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.675 -3.434 14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.331 -4.985 13.375 1.00 0.00 H new ATOM 435 N ARG A 26 -4.386 -5.654 13.502 1.00 0.00 N ATOM 436 CA ARG A 26 -3.625 -6.819 13.066 1.00 0.00 C ATOM 437 C ARG A 26 -2.210 -6.789 13.638 1.00 0.00 C ATOM 438 O ARG A 26 -1.312 -7.466 13.138 1.00 0.00 O ATOM 439 CB ARG A 26 -3.568 -6.876 11.539 1.00 0.00 C ATOM 440 CG ARG A 26 -4.923 -7.094 10.886 1.00 0.00 C ATOM 441 CD ARG A 26 -5.439 -8.504 11.131 1.00 0.00 C ATOM 442 NE ARG A 26 -4.983 -9.439 10.106 1.00 0.00 N ATOM 443 CZ ARG A 26 -5.229 -10.744 10.140 1.00 0.00 C ATOM 444 NH1 ARG A 26 -5.922 -11.265 11.144 1.00 0.00 N ATOM 445 NH2 ARG A 26 -4.782 -11.531 9.170 1.00 0.00 N ATOM 0 H ARG A 26 -4.245 -4.820 12.932 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.130 -7.711 13.437 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.139 -5.946 11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.896 -7.680 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.638 -6.371 11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.844 -6.915 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.104 -8.848 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.529 -8.493 11.153 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.446 -9.070 9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.267 -10.663 11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.110 -12.267 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.248 -11.134 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.972 -12.533 9.198 1.00 0.00 H new ATOM 459 N LYS A 27 -2.019 -5.999 14.690 1.00 0.00 N ATOM 460 CA LYS A 27 -0.715 -5.881 15.332 1.00 0.00 C ATOM 461 C LYS A 27 0.343 -5.427 14.331 1.00 0.00 C ATOM 462 O LYS A 27 1.500 -5.846 14.403 1.00 0.00 O ATOM 463 CB LYS A 27 -0.306 -7.218 15.953 1.00 0.00 C ATOM 464 CG LYS A 27 -0.793 -7.399 17.380 1.00 0.00 C ATOM 465 CD LYS A 27 -0.036 -6.501 18.345 1.00 0.00 C ATOM 466 CE LYS A 27 1.267 -7.140 18.797 1.00 0.00 C ATOM 467 NZ LYS A 27 1.953 -6.326 19.838 1.00 0.00 N ATOM 0 H LYS A 27 -2.751 -5.431 15.116 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.791 -5.131 16.120 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.697 -8.029 15.339 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.781 -7.300 15.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.859 -7.175 17.433 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.671 -8.440 17.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.174 -5.545 17.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.660 -6.291 19.214 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.065 -8.137 19.190 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.928 -7.263 17.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.837 -6.796 20.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.169 -5.383 19.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.333 -6.229 20.668 1.00 0.00 H new ATOM 481 N LEU A 28 -0.057 -4.570 13.400 1.00 0.00 N ATOM 482 CA LEU A 28 0.859 -4.057 12.386 1.00 0.00 C ATOM 483 C LEU A 28 0.753 -2.541 12.274 1.00 0.00 C ATOM 484 O LEU A 28 0.094 -2.003 11.382 1.00 0.00 O ATOM 485 CB LEU A 28 0.561 -4.703 11.030 1.00 0.00 C ATOM 486 CG LEU A 28 0.814 -6.207 10.934 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.108 -6.839 9.903 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.270 -6.483 10.588 1.00 0.00 C ATOM 0 H LEU A 28 -1.010 -4.215 13.325 1.00 0.00 H new ATOM 0 HA LEU A 28 1.876 -4.310 12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.483 -4.514 10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.165 -4.204 10.272 1.00 0.00 H new ATOM 0 HG LEU A 28 0.601 -6.653 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.087 -7.910 9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.146 -6.673 10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.073 -6.387 8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.431 -7.559 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.510 -6.023 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.913 -6.065 11.362 1.00 0.00 H new ATOM 500 N PRO A 29 1.419 -1.831 13.197 1.00 0.00 N ATOM 501 CA PRO A 29 1.418 -0.365 13.221 1.00 0.00 C ATOM 502 C PRO A 29 2.199 0.235 12.056 1.00 0.00 C ATOM 503 O PRO A 29 3.095 -0.403 11.504 1.00 0.00 O ATOM 504 CB PRO A 29 2.100 -0.032 14.550 1.00 0.00 C ATOM 505 CG PRO A 29 2.957 -1.215 14.843 1.00 0.00 C ATOM 506 CD PRO A 29 2.224 -2.405 14.288 1.00 0.00 C ATOM 0 HA PRO A 29 0.412 0.043 13.128 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.695 0.878 14.473 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.368 0.132 15.341 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.938 -1.110 14.380 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.120 -1.323 15.915 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.913 -3.166 13.922 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.597 -2.879 15.043 1.00 0.00 H new ATOM 514 N LEU A 30 1.851 1.462 11.688 1.00 0.00 N ATOM 515 CA LEU A 30 2.520 2.149 10.588 1.00 0.00 C ATOM 516 C LEU A 30 3.521 3.173 11.113 1.00 0.00 C ATOM 517 O LEU A 30 3.138 4.186 11.698 1.00 0.00 O ATOM 518 CB LEU A 30 1.491 2.838 9.690 1.00 0.00 C ATOM 519 CG LEU A 30 0.307 1.981 9.244 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.918 2.848 8.998 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.662 1.189 7.993 1.00 0.00 C ATOM 0 H LEU A 30 1.110 2.002 12.134 1.00 0.00 H new ATOM 0 HA LEU A 30 3.062 1.405 10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.104 3.710 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.003 3.205 8.801 1.00 0.00 H new ATOM 0 HG LEU A 30 0.073 1.276 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.751 2.220 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.186 3.369 9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.697 3.578 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.193 0.585 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.923 1.877 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.510 0.538 8.203 1.00 0.00 H new ATOM 533 N ALA A 31 4.804 2.902 10.898 1.00 0.00 N ATOM 534 CA ALA A 31 5.860 3.802 11.346 1.00 0.00 C ATOM 535 C ALA A 31 6.235 4.797 10.252 1.00 0.00 C ATOM 536 O ALA A 31 7.366 5.277 10.198 1.00 0.00 O ATOM 537 CB ALA A 31 7.082 3.008 11.780 1.00 0.00 C ATOM 0 H ALA A 31 5.137 2.067 10.417 1.00 0.00 H new ATOM 0 HA ALA A 31 5.484 4.365 12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.862 3.693 12.112 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.811 2.342 12.599 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.450 2.419 10.940 1.00 0.00 H new ATOM 543 N GLY A 32 5.277 5.101 9.381 1.00 0.00 N ATOM 544 CA GLY A 32 5.527 6.035 8.300 1.00 0.00 C ATOM 545 C GLY A 32 4.343 6.942 8.031 1.00 0.00 C ATOM 546 O GLY A 32 3.537 7.200 8.925 1.00 0.00 O ATOM 0 H GLY A 32 4.332 4.717 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.398 6.643 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.769 5.480 7.393 1.00 0.00 H new ATOM 550 N GLN A 33 4.239 7.428 6.799 1.00 0.00 N ATOM 551 CA GLN A 33 3.144 8.313 6.417 1.00 0.00 C ATOM 552 C GLN A 33 2.017 7.530 5.751 1.00 0.00 C ATOM 553 O GLN A 33 2.248 6.483 5.147 1.00 0.00 O ATOM 554 CB GLN A 33 3.649 9.405 5.473 1.00 0.00 C ATOM 555 CG GLN A 33 2.595 10.442 5.122 1.00 0.00 C ATOM 556 CD GLN A 33 2.474 11.529 6.171 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.913 12.661 5.964 1.00 0.00 O ATOM 558 NE2 GLN A 33 1.876 11.192 7.308 1.00 0.00 N ATOM 0 H GLN A 33 4.899 7.225 6.048 1.00 0.00 H new ATOM 0 HA GLN A 33 2.753 8.777 7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.500 9.906 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.010 8.941 4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.842 10.895 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.631 9.948 5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.527 10.243 7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.766 11.883 8.051 1.00 0.00 H new ATOM 567 N VAL A 34 0.797 8.046 5.867 1.00 0.00 N ATOM 568 CA VAL A 34 -0.366 7.395 5.275 1.00 0.00 C ATOM 569 C VAL A 34 -1.019 8.286 4.224 1.00 0.00 C ATOM 570 O VAL A 34 -1.185 9.489 4.430 1.00 0.00 O ATOM 571 CB VAL A 34 -1.412 7.033 6.346 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.614 6.352 5.710 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.792 6.148 7.417 1.00 0.00 C ATOM 0 H VAL A 34 0.589 8.912 6.365 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.010 6.480 4.801 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.755 7.953 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.342 6.104 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.071 7.024 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.292 5.440 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.545 5.902 8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.420 5.231 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.034 6.677 7.893 1.00 0.00 H new ATOM 583 N LEU A 35 -1.388 7.689 3.097 1.00 0.00 N ATOM 584 CA LEU A 35 -2.023 8.428 2.012 1.00 0.00 C ATOM 585 C LEU A 35 -3.306 7.738 1.561 1.00 0.00 C ATOM 586 O LEU A 35 -3.316 6.536 1.290 1.00 0.00 O ATOM 587 CB LEU A 35 -1.062 8.565 0.830 1.00 0.00 C ATOM 588 CG LEU A 35 -1.241 9.810 -0.040 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.088 10.233 -0.645 1.00 0.00 C ATOM 590 CD2 LEU A 35 -2.270 9.556 -1.132 1.00 0.00 C ATOM 0 H LEU A 35 -1.258 6.695 2.910 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.277 9.421 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.042 8.558 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.170 7.685 0.196 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.605 10.621 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.059 11.120 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.796 10.458 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.481 9.424 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.384 10.453 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.937 8.731 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.228 9.302 -0.678 1.00 0.00 H new ATOM 602 N LEU A 36 -4.388 8.505 1.481 1.00 0.00 N ATOM 603 CA LEU A 36 -5.677 7.967 1.061 1.00 0.00 C ATOM 604 C LEU A 36 -6.166 8.655 -0.211 1.00 0.00 C ATOM 605 O LEU A 36 -6.451 9.852 -0.210 1.00 0.00 O ATOM 606 CB LEU A 36 -6.711 8.138 2.175 1.00 0.00 C ATOM 607 CG LEU A 36 -8.144 7.735 1.829 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.241 6.232 1.618 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.105 8.184 2.921 1.00 0.00 C ATOM 0 H LEU A 36 -4.398 9.501 1.701 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.549 6.905 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.388 7.552 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.713 9.183 2.483 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.424 8.231 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.269 5.965 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.584 5.936 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.940 5.716 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.120 7.888 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.826 7.718 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.058 9.268 3.024 1.00 0.00 H new ATOM 621 N LYS A 37 -6.261 7.888 -1.292 1.00 0.00 N ATOM 622 CA LYS A 37 -6.719 8.421 -2.569 1.00 0.00 C ATOM 623 C LYS A 37 -8.098 7.877 -2.924 1.00 0.00 C ATOM 624 O LYS A 37 -8.516 6.837 -2.413 1.00 0.00 O ATOM 625 CB LYS A 37 -5.721 8.073 -3.676 1.00 0.00 C ATOM 626 CG LYS A 37 -4.421 8.854 -3.591 1.00 0.00 C ATOM 627 CD LYS A 37 -4.571 10.253 -4.166 1.00 0.00 C ATOM 628 CE LYS A 37 -4.339 10.265 -5.669 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.781 11.566 -6.133 1.00 0.00 N ATOM 0 H LYS A 37 -6.027 6.895 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.789 9.505 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.498 7.007 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.185 8.261 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.103 8.920 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.639 8.320 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.569 10.632 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.862 10.925 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.655 9.460 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.280 10.069 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.637 11.535 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.445 12.332 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.871 11.741 -5.661 1.00 0.00 H new ATOM 643 N SER A 38 -8.801 8.584 -3.802 1.00 0.00 N ATOM 644 CA SER A 38 -10.135 8.173 -4.223 1.00 0.00 C ATOM 645 C SER A 38 -10.073 6.889 -5.047 1.00 0.00 C ATOM 646 O SER A 38 -9.904 6.928 -6.265 1.00 0.00 O ATOM 647 CB SER A 38 -10.801 9.283 -5.038 1.00 0.00 C ATOM 648 OG SER A 38 -10.048 9.586 -6.199 1.00 0.00 O ATOM 0 H SER A 38 -8.469 9.445 -4.236 1.00 0.00 H new ATOM 0 HA SER A 38 -10.729 7.983 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.807 8.975 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.904 10.178 -4.424 1.00 0.00 H new ATOM 0 HG SER A 38 -9.740 8.754 -6.616 1.00 0.00 H new ATOM 654 N GLY A 39 -10.212 5.752 -4.371 1.00 0.00 N ATOM 655 CA GLY A 39 -10.168 4.474 -5.055 1.00 0.00 C ATOM 656 C GLY A 39 -8.995 3.620 -4.616 1.00 0.00 C ATOM 657 O GLY A 39 -8.979 2.410 -4.842 1.00 0.00 O ATOM 0 H GLY A 39 -10.354 5.694 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.096 3.934 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.108 4.643 -6.130 1.00 0.00 H new ATOM 661 N TYR A 40 -8.010 4.251 -3.987 1.00 0.00 N ATOM 662 CA TYR A 40 -6.825 3.542 -3.518 1.00 0.00 C ATOM 663 C TYR A 40 -6.146 4.307 -2.385 1.00 0.00 C ATOM 664 O TYR A 40 -6.570 5.403 -2.019 1.00 0.00 O ATOM 665 CB TYR A 40 -5.840 3.335 -4.670 1.00 0.00 C ATOM 666 CG TYR A 40 -5.745 4.518 -5.606 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.768 4.806 -6.500 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.630 5.348 -5.596 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.685 5.887 -7.357 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.539 6.431 -6.449 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.568 6.696 -7.328 1.00 0.00 C ATOM 672 OH TYR A 40 -5.482 7.773 -8.180 1.00 0.00 O ATOM 0 H TYR A 40 -8.008 5.252 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.140 2.570 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.852 3.127 -4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.140 2.455 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.644 4.174 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.821 5.143 -4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.490 6.097 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.666 7.067 -6.428 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.633 8.240 -8.032 1.00 0.00 H new ATOM 682 N ALA A 41 -5.089 3.720 -1.835 1.00 0.00 N ATOM 683 CA ALA A 41 -4.348 4.344 -0.746 1.00 0.00 C ATOM 684 C ALA A 41 -2.897 3.874 -0.726 1.00 0.00 C ATOM 685 O ALA A 41 -2.587 2.769 -1.171 1.00 0.00 O ATOM 686 CB ALA A 41 -5.019 4.047 0.587 1.00 0.00 C ATOM 0 H ALA A 41 -4.726 2.812 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.350 5.422 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.455 4.519 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.036 4.439 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.047 2.969 0.748 1.00 0.00 H new ATOM 692 N PHE A 42 -2.013 4.719 -0.209 1.00 0.00 N ATOM 693 CA PHE A 42 -0.594 4.390 -0.133 1.00 0.00 C ATOM 694 C PHE A 42 -0.086 4.498 1.301 1.00 0.00 C ATOM 695 O PHE A 42 -0.448 5.420 2.033 1.00 0.00 O ATOM 696 CB PHE A 42 0.216 5.316 -1.044 1.00 0.00 C ATOM 697 CG PHE A 42 -0.244 5.302 -2.474 1.00 0.00 C ATOM 698 CD1 PHE A 42 -1.326 6.069 -2.875 1.00 0.00 C ATOM 699 CD2 PHE A 42 0.405 4.521 -3.417 1.00 0.00 C ATOM 700 CE1 PHE A 42 -1.751 6.059 -4.190 1.00 0.00 C ATOM 701 CE2 PHE A 42 -0.015 4.508 -4.733 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.096 5.276 -5.120 1.00 0.00 C ATOM 0 H PHE A 42 -2.253 5.637 0.164 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.468 3.360 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.154 6.335 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.265 5.024 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.843 6.682 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.249 3.916 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.595 6.663 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.502 3.898 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.428 5.264 -6.148 1.00 0.00 H new ATOM 712 N VAL A 43 0.754 3.547 1.698 1.00 0.00 N ATOM 713 CA VAL A 43 1.314 3.535 3.045 1.00 0.00 C ATOM 714 C VAL A 43 2.811 3.249 3.015 1.00 0.00 C ATOM 715 O VAL A 43 3.281 2.426 2.230 1.00 0.00 O ATOM 716 CB VAL A 43 0.619 2.484 3.931 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.837 2.860 4.165 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.727 1.103 3.303 1.00 0.00 C ATOM 0 H VAL A 43 1.062 2.775 1.106 1.00 0.00 H new ATOM 0 HA VAL A 43 1.145 4.525 3.468 1.00 0.00 H new ATOM 0 HB VAL A 43 1.122 2.459 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.311 2.106 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.887 3.829 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.357 2.915 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.231 0.373 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.250 1.111 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.778 0.834 3.193 1.00 0.00 H new ATOM 728 N ASP A 44 3.554 3.934 3.877 1.00 0.00 N ATOM 729 CA ASP A 44 4.999 3.753 3.953 1.00 0.00 C ATOM 730 C ASP A 44 5.359 2.655 4.949 1.00 0.00 C ATOM 731 O ASP A 44 5.005 2.730 6.125 1.00 0.00 O ATOM 732 CB ASP A 44 5.679 5.063 4.354 1.00 0.00 C ATOM 733 CG ASP A 44 5.082 6.264 3.646 1.00 0.00 C ATOM 734 OD1 ASP A 44 4.159 6.073 2.826 1.00 0.00 O ATOM 735 OD2 ASP A 44 5.538 7.396 3.913 1.00 0.00 O ATOM 0 H ASP A 44 3.180 4.620 4.533 1.00 0.00 H new ATOM 0 HA ASP A 44 5.354 3.455 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.592 5.200 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.743 5.002 4.126 1.00 0.00 H new ATOM 740 N TYR A 45 6.062 1.635 4.468 1.00 0.00 N ATOM 741 CA TYR A 45 6.466 0.519 5.316 1.00 0.00 C ATOM 742 C TYR A 45 7.843 0.767 5.924 1.00 0.00 C ATOM 743 O TYR A 45 8.728 1.356 5.302 1.00 0.00 O ATOM 744 CB TYR A 45 6.478 -0.782 4.510 1.00 0.00 C ATOM 745 CG TYR A 45 7.576 -0.840 3.472 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.873 -1.192 3.822 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.314 -0.543 2.140 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.879 -1.246 2.876 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.313 -0.596 1.186 1.00 0.00 C ATOM 750 CZ TYR A 45 9.594 -0.948 1.560 1.00 0.00 C ATOM 751 OH TYR A 45 10.593 -1.001 0.615 1.00 0.00 O ATOM 0 H TYR A 45 6.364 1.558 3.497 1.00 0.00 H new ATOM 0 HA TYR A 45 5.742 0.430 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.591 -1.623 5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.514 -0.902 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.099 -1.428 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.313 -0.266 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.883 -1.520 3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.092 -0.363 0.155 1.00 0.00 H new ATOM 0 HH TYR A 45 10.196 -1.002 -0.281 1.00 0.00 H new ATOM 761 N PRO A 46 8.031 0.307 7.169 1.00 0.00 N ATOM 762 CA PRO A 46 9.297 0.465 7.889 1.00 0.00 C ATOM 763 C PRO A 46 10.411 -0.394 7.299 1.00 0.00 C ATOM 764 O PRO A 46 11.504 0.098 7.017 1.00 0.00 O ATOM 765 CB PRO A 46 8.959 0.001 9.308 1.00 0.00 C ATOM 766 CG PRO A 46 7.809 -0.931 9.138 1.00 0.00 C ATOM 767 CD PRO A 46 7.020 -0.405 7.970 1.00 0.00 C ATOM 0 HA PRO A 46 9.670 1.488 7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.808 -0.499 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.695 0.843 9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.155 -1.947 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.197 -0.964 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.554 -1.211 7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.220 0.262 8.293 1.00 0.00 H new ATOM 775 N ASP A 47 10.127 -1.678 7.115 1.00 0.00 N ATOM 776 CA ASP A 47 11.105 -2.605 6.556 1.00 0.00 C ATOM 777 C ASP A 47 10.471 -3.478 5.478 1.00 0.00 C ATOM 778 O ASP A 47 9.248 -3.578 5.387 1.00 0.00 O ATOM 779 CB ASP A 47 11.693 -3.485 7.660 1.00 0.00 C ATOM 780 CG ASP A 47 10.640 -3.974 8.635 1.00 0.00 C ATOM 781 OD1 ASP A 47 10.023 -3.126 9.316 1.00 0.00 O ATOM 782 OD2 ASP A 47 10.432 -5.202 8.719 1.00 0.00 O ATOM 0 H ASP A 47 9.228 -2.101 7.345 1.00 0.00 H new ATOM 0 HA ASP A 47 11.905 -2.021 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.192 -4.343 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.453 -2.923 8.203 1.00 0.00 H new ATOM 787 N GLN A 48 11.312 -4.105 4.662 1.00 0.00 N ATOM 788 CA GLN A 48 10.834 -4.968 3.587 1.00 0.00 C ATOM 789 C GLN A 48 10.066 -6.160 4.148 1.00 0.00 C ATOM 790 O GLN A 48 9.063 -6.587 3.579 1.00 0.00 O ATOM 791 CB GLN A 48 12.007 -5.455 2.735 1.00 0.00 C ATOM 792 CG GLN A 48 11.674 -6.663 1.875 1.00 0.00 C ATOM 793 CD GLN A 48 11.934 -7.976 2.586 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.038 -8.022 3.813 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.040 -9.054 1.818 1.00 0.00 N ATOM 0 H GLN A 48 12.327 -4.032 4.724 1.00 0.00 H new ATOM 0 HA GLN A 48 10.158 -4.386 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.340 -4.641 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.842 -5.705 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.626 -6.616 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.265 -6.627 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.947 -8.970 0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.214 -9.966 2.240 1.00 0.00 H new ATOM 804 N ASN A 49 10.545 -6.693 5.267 1.00 0.00 N ATOM 805 CA ASN A 49 9.905 -7.837 5.904 1.00 0.00 C ATOM 806 C ASN A 49 8.521 -7.464 6.429 1.00 0.00 C ATOM 807 O ASN A 49 7.553 -8.198 6.229 1.00 0.00 O ATOM 808 CB ASN A 49 10.772 -8.362 7.051 1.00 0.00 C ATOM 809 CG ASN A 49 10.101 -9.486 7.815 1.00 0.00 C ATOM 810 OD1 ASN A 49 9.884 -9.387 9.023 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.771 -10.564 7.114 1.00 0.00 N ATOM 0 H ASN A 49 11.375 -6.350 5.751 1.00 0.00 H new ATOM 0 HA ASN A 49 9.792 -8.621 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.723 -8.715 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.997 -7.545 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.319 -11.353 7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.970 -10.603 6.114 1.00 0.00 H new ATOM 818 N TRP A 50 8.436 -6.320 7.097 1.00 0.00 N ATOM 819 CA TRP A 50 7.172 -5.849 7.649 1.00 0.00 C ATOM 820 C TRP A 50 6.126 -5.687 6.552 1.00 0.00 C ATOM 821 O TRP A 50 4.963 -6.049 6.730 1.00 0.00 O ATOM 822 CB TRP A 50 7.373 -4.520 8.380 1.00 0.00 C ATOM 823 CG TRP A 50 6.103 -3.947 8.931 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.677 -3.993 10.228 1.00 0.00 C ATOM 825 CD2 TRP A 50 5.094 -3.242 8.199 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.464 -3.359 10.346 1.00 0.00 N ATOM 827 CE2 TRP A 50 4.084 -2.889 9.116 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.944 -2.873 6.860 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.944 -2.188 8.735 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.812 -2.176 6.483 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.824 -1.839 7.418 1.00 0.00 C ATOM 0 H TRP A 50 9.228 -5.701 7.270 1.00 0.00 H new ATOM 0 HA TRP A 50 6.814 -6.595 8.359 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.081 -4.666 9.196 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.820 -3.800 7.694 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.214 -4.459 11.041 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.932 -3.255 11.210 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.700 -3.128 6.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.181 -1.929 9.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.687 -1.886 5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.951 -1.293 7.092 1.00 0.00 H new ATOM 842 N ALA A 51 6.546 -5.139 5.417 1.00 0.00 N ATOM 843 CA ALA A 51 5.646 -4.931 4.289 1.00 0.00 C ATOM 844 C ALA A 51 5.103 -6.257 3.768 1.00 0.00 C ATOM 845 O ALA A 51 3.897 -6.406 3.561 1.00 0.00 O ATOM 846 CB ALA A 51 6.359 -4.176 3.177 1.00 0.00 C ATOM 0 H ALA A 51 7.505 -4.831 5.254 1.00 0.00 H new ATOM 0 HA ALA A 51 4.802 -4.334 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.675 -4.028 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.691 -3.207 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.222 -4.751 2.842 1.00 0.00 H new ATOM 852 N ILE A 52 5.998 -7.216 3.557 1.00 0.00 N ATOM 853 CA ILE A 52 5.607 -8.529 3.060 1.00 0.00 C ATOM 854 C ILE A 52 4.674 -9.232 4.040 1.00 0.00 C ATOM 855 O ILE A 52 3.660 -9.808 3.644 1.00 0.00 O ATOM 856 CB ILE A 52 6.835 -9.424 2.807 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.782 -8.756 1.806 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.400 -10.791 2.300 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.191 -9.304 1.851 1.00 0.00 C ATOM 0 H ILE A 52 6.999 -7.108 3.722 1.00 0.00 H new ATOM 0 HA ILE A 52 5.085 -8.367 2.117 1.00 0.00 H new ATOM 0 HB ILE A 52 7.367 -9.560 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.383 -8.883 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.811 -7.685 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.279 -11.411 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.761 -11.268 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.848 -10.674 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.807 -8.785 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.609 -9.152 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.174 -10.370 1.623 1.00 0.00 H new ATOM 871 N ARG A 53 5.022 -9.179 5.321 1.00 0.00 N ATOM 872 CA ARG A 53 4.216 -9.810 6.359 1.00 0.00 C ATOM 873 C ARG A 53 2.885 -9.083 6.531 1.00 0.00 C ATOM 874 O ARG A 53 1.848 -9.708 6.751 1.00 0.00 O ATOM 875 CB ARG A 53 4.975 -9.826 7.687 1.00 0.00 C ATOM 876 CG ARG A 53 4.500 -10.904 8.647 1.00 0.00 C ATOM 877 CD ARG A 53 5.152 -12.245 8.347 1.00 0.00 C ATOM 878 NE ARG A 53 6.557 -12.271 8.745 1.00 0.00 N ATOM 879 CZ ARG A 53 7.366 -13.300 8.516 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.912 -14.380 7.895 1.00 0.00 N ATOM 881 NH2 ARG A 53 8.632 -13.249 8.908 1.00 0.00 N ATOM 0 H ARG A 53 5.857 -8.705 5.665 1.00 0.00 H new ATOM 0 HA ARG A 53 4.014 -10.836 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.037 -9.971 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.871 -8.853 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.729 -10.608 9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.417 -11.002 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.613 -13.035 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.073 -12.456 7.281 1.00 0.00 H new ATOM 0 HE ARG A 53 6.938 -11.455 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.939 -14.423 7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.536 -15.168 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.985 -12.420 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.253 -14.039 8.732 1.00 0.00 H new ATOM 895 N ALA A 54 2.922 -7.759 6.429 1.00 0.00 N ATOM 896 CA ALA A 54 1.720 -6.946 6.570 1.00 0.00 C ATOM 897 C ALA A 54 0.767 -7.167 5.401 1.00 0.00 C ATOM 898 O ALA A 54 -0.434 -7.357 5.595 1.00 0.00 O ATOM 899 CB ALA A 54 2.088 -5.475 6.684 1.00 0.00 C ATOM 0 H ALA A 54 3.773 -7.226 6.249 1.00 0.00 H new ATOM 0 HA ALA A 54 1.209 -7.252 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.181 -4.880 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.723 -5.325 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.625 -5.164 5.788 1.00 0.00 H new ATOM 905 N ILE A 55 1.310 -7.141 4.188 1.00 0.00 N ATOM 906 CA ILE A 55 0.507 -7.338 2.988 1.00 0.00 C ATOM 907 C ILE A 55 -0.123 -8.728 2.970 1.00 0.00 C ATOM 908 O ILE A 55 -1.317 -8.874 2.713 1.00 0.00 O ATOM 909 CB ILE A 55 1.348 -7.152 1.711 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.877 -5.719 1.628 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.521 -7.489 0.479 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.116 -5.581 0.771 1.00 0.00 C ATOM 0 H ILE A 55 2.302 -6.985 4.011 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.280 -6.584 3.008 1.00 0.00 H new ATOM 0 HB ILE A 55 2.199 -7.832 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.095 -5.074 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.100 -5.364 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.129 -7.353 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.188 -8.525 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.347 -6.831 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.435 -4.539 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.914 -6.199 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.893 -5.905 -0.246 1.00 0.00 H new ATOM 924 N GLU A 56 0.689 -9.742 3.247 1.00 0.00 N ATOM 925 CA GLU A 56 0.210 -11.120 3.264 1.00 0.00 C ATOM 926 C GLU A 56 -0.848 -11.314 4.346 1.00 0.00 C ATOM 927 O GLU A 56 -1.843 -12.010 4.140 1.00 0.00 O ATOM 928 CB GLU A 56 1.375 -12.085 3.495 1.00 0.00 C ATOM 929 CG GLU A 56 2.104 -12.475 2.220 1.00 0.00 C ATOM 930 CD GLU A 56 2.846 -13.790 2.351 1.00 0.00 C ATOM 931 OE1 GLU A 56 3.362 -14.073 3.453 1.00 0.00 O ATOM 932 OE2 GLU A 56 2.912 -14.537 1.352 1.00 0.00 O ATOM 0 H GLU A 56 1.680 -9.637 3.463 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.242 -11.333 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.085 -11.626 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.999 -12.986 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.386 -12.547 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.810 -11.688 1.955 1.00 0.00 H new ATOM 939 N THR A 57 -0.625 -10.696 5.502 1.00 0.00 N ATOM 940 CA THR A 57 -1.558 -10.802 6.617 1.00 0.00 C ATOM 941 C THR A 57 -2.780 -9.918 6.397 1.00 0.00 C ATOM 942 O THR A 57 -3.851 -10.173 6.953 1.00 0.00 O ATOM 943 CB THR A 57 -0.888 -10.411 7.948 1.00 0.00 C ATOM 944 OG1 THR A 57 0.024 -11.436 8.357 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.930 -10.190 9.034 1.00 0.00 C ATOM 0 H THR A 57 0.193 -10.117 5.690 1.00 0.00 H new ATOM 0 HA THR A 57 -1.872 -11.844 6.669 1.00 0.00 H new ATOM 0 HB THR A 57 -0.343 -9.480 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.913 -11.247 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.433 -9.915 9.964 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.605 -9.389 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.499 -11.107 9.184 1.00 0.00 H new ATOM 953 N LEU A 58 -2.616 -8.879 5.586 1.00 0.00 N ATOM 954 CA LEU A 58 -3.707 -7.957 5.293 1.00 0.00 C ATOM 955 C LEU A 58 -4.386 -8.319 3.976 1.00 0.00 C ATOM 956 O LEU A 58 -5.502 -8.840 3.964 1.00 0.00 O ATOM 957 CB LEU A 58 -3.185 -6.521 5.233 1.00 0.00 C ATOM 958 CG LEU A 58 -2.735 -5.914 6.563 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.187 -4.512 6.350 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.886 -5.895 7.557 1.00 0.00 C ATOM 0 H LEU A 58 -1.737 -8.654 5.119 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.442 -8.036 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.345 -6.490 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.968 -5.888 4.814 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.938 -6.534 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.872 -4.095 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.333 -4.554 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.962 -3.880 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.548 -5.460 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.704 -5.298 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.232 -6.914 7.732 1.00 0.00 H new ATOM 972 N SER A 59 -3.705 -8.041 2.869 1.00 0.00 N ATOM 973 CA SER A 59 -4.243 -8.336 1.546 1.00 0.00 C ATOM 974 C SER A 59 -4.562 -9.821 1.408 1.00 0.00 C ATOM 975 O SER A 59 -3.694 -10.673 1.592 1.00 0.00 O ATOM 976 CB SER A 59 -3.251 -7.912 0.462 1.00 0.00 C ATOM 977 OG SER A 59 -3.775 -8.151 -0.832 1.00 0.00 O ATOM 0 H SER A 59 -2.780 -7.612 2.862 1.00 0.00 H new ATOM 0 HA SER A 59 -5.167 -7.771 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.017 -6.853 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.317 -8.459 0.586 1.00 0.00 H new ATOM 0 HG SER A 59 -3.043 -8.163 -1.484 1.00 0.00 H new ATOM 983 N GLY A 60 -5.814 -10.124 1.082 1.00 0.00 N ATOM 984 CA GLY A 60 -6.227 -11.506 0.925 1.00 0.00 C ATOM 985 C GLY A 60 -6.725 -12.114 2.221 1.00 0.00 C ATOM 986 O GLY A 60 -7.389 -13.152 2.215 1.00 0.00 O ATOM 0 H GLY A 60 -6.551 -9.436 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.015 -11.563 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.388 -12.092 0.551 1.00 0.00 H new ATOM 990 N LYS A 61 -6.402 -11.470 3.337 1.00 0.00 N ATOM 991 CA LYS A 61 -6.820 -11.952 4.648 1.00 0.00 C ATOM 992 C LYS A 61 -7.506 -10.845 5.442 1.00 0.00 C ATOM 993 O LYS A 61 -7.592 -10.910 6.669 1.00 0.00 O ATOM 994 CB LYS A 61 -5.614 -12.482 5.428 1.00 0.00 C ATOM 995 CG LYS A 61 -5.322 -13.951 5.172 1.00 0.00 C ATOM 996 CD LYS A 61 -6.374 -14.846 5.805 1.00 0.00 C ATOM 997 CE LYS A 61 -5.961 -16.309 5.760 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.021 -16.654 6.862 1.00 0.00 N ATOM 0 H LYS A 61 -5.851 -10.612 3.360 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.533 -12.763 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.735 -11.894 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.788 -12.335 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.285 -14.134 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.340 -14.203 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.535 -14.544 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.323 -14.718 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.848 -16.939 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.491 -16.524 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.763 -17.659 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.164 -16.071 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.479 -16.473 7.778 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.992 -9.830 4.736 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.672 -8.710 5.374 1.00 0.00 C ATOM 1014 C VAL A 62 -9.759 -8.139 4.471 1.00 0.00 C ATOM 1015 O VAL A 62 -9.509 -7.818 3.310 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.683 -7.589 5.742 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.431 -6.333 6.162 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.740 -8.050 6.842 1.00 0.00 C ATOM 0 H VAL A 62 -7.927 -9.760 3.720 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.128 -9.095 6.286 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.087 -7.351 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.715 -5.552 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.061 -5.993 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.054 -6.553 7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.048 -7.245 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.317 -8.317 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.178 -8.919 6.499 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.967 -8.015 5.012 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.092 -7.482 4.253 1.00 0.00 C ATOM 1030 C GLU A 63 -12.555 -6.147 4.831 1.00 0.00 C ATOM 1031 O GLU A 63 -12.667 -5.990 6.048 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.253 -8.479 4.251 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.584 -7.863 3.856 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.300 -7.219 5.026 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.069 -6.016 5.272 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -16.090 -7.915 5.697 1.00 0.00 O ATOM 0 H GLU A 63 -11.191 -8.276 5.972 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.760 -7.319 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.021 -9.293 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.346 -8.918 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.418 -7.115 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.222 -8.634 3.424 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.823 -5.190 3.950 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.274 -3.867 4.372 1.00 0.00 C ATOM 1045 C LEU A 64 -14.578 -3.490 3.677 1.00 0.00 C ATOM 1046 O LEU A 64 -14.645 -3.433 2.448 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.200 -2.821 4.070 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.156 -1.615 5.008 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.109 -2.068 6.459 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -10.961 -0.730 4.684 1.00 0.00 C ATOM 0 H LEU A 64 -12.736 -5.304 2.940 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.452 -3.896 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.227 -3.311 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.349 -2.460 3.053 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.065 -1.032 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.078 -1.196 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.997 -2.659 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.218 -2.675 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.946 0.124 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.041 -1.303 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.039 -0.376 3.656 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.612 -3.230 4.470 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.914 -2.853 3.931 1.00 0.00 C ATOM 1064 C HIS A 65 -17.508 -3.990 3.102 1.00 0.00 C ATOM 1065 O HIS A 65 -18.323 -3.760 2.210 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.791 -1.593 3.075 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.977 -0.324 3.848 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.218 0.205 4.138 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.073 0.521 4.394 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.067 1.323 4.826 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.775 1.537 4.995 1.00 0.00 N ATOM 0 H HIS A 65 -15.574 -3.273 5.488 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.581 -2.649 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.809 -1.580 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.530 -1.633 2.275 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.999 0.416 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.865 1.954 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.365 2.328 5.491 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.091 -5.216 3.404 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.590 -6.369 2.677 1.00 0.00 C ATOM 1081 C GLY A 66 -16.746 -6.699 1.463 1.00 0.00 C ATOM 1082 O GLY A 66 -16.877 -7.776 0.879 1.00 0.00 O ATOM 0 H GLY A 66 -16.417 -5.431 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.615 -7.231 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.616 -6.179 2.362 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.876 -5.771 1.079 1.00 0.00 N ATOM 1087 CA LYS A 67 -15.006 -5.967 -0.075 1.00 0.00 C ATOM 1088 C LYS A 67 -13.580 -6.281 0.366 1.00 0.00 C ATOM 1089 O LYS A 67 -13.028 -5.608 1.238 1.00 0.00 O ATOM 1090 CB LYS A 67 -15.014 -4.722 -0.965 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.309 -4.535 -1.736 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.111 -3.638 -2.946 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.415 -2.978 -3.371 1.00 0.00 C ATOM 1094 NZ LYS A 67 -18.408 -3.975 -3.858 1.00 0.00 N ATOM 0 H LYS A 67 -15.755 -4.875 1.551 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.387 -6.815 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.839 -3.842 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.186 -4.785 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.685 -5.506 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.065 -4.102 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.372 -2.871 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.712 -4.225 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.835 -2.428 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.214 -2.251 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.270 -3.483 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.004 -4.506 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.645 -4.634 -3.089 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.989 -7.304 -0.241 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.626 -7.703 0.089 1.00 0.00 C ATOM 1110 C ILE A 68 -10.621 -6.644 -0.353 1.00 0.00 C ATOM 1111 O ILE A 68 -10.645 -6.190 -1.496 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.260 -9.048 -0.568 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.303 -10.112 -0.220 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.874 -9.493 -0.125 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.186 -10.633 1.196 1.00 0.00 C ATOM 0 H ILE A 68 -13.432 -7.872 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.582 -7.812 1.173 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.250 -8.916 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.299 -9.693 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.205 -10.946 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.629 -10.444 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.140 -8.743 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.859 -9.611 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.957 -11.384 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.203 -11.082 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.314 -9.809 1.898 1.00 0.00 H new ATOM 1127 N MET A 69 -9.738 -6.258 0.563 1.00 0.00 N ATOM 1128 CA MET A 69 -8.722 -5.254 0.267 1.00 0.00 C ATOM 1129 C MET A 69 -7.513 -5.889 -0.414 1.00 0.00 C ATOM 1130 O MET A 69 -7.066 -6.968 -0.024 1.00 0.00 O ATOM 1131 CB MET A 69 -8.286 -4.546 1.550 1.00 0.00 C ATOM 1132 CG MET A 69 -7.115 -5.218 2.248 1.00 0.00 C ATOM 1133 SD MET A 69 -7.021 -4.805 4.001 1.00 0.00 S ATOM 1134 CE MET A 69 -6.224 -3.202 3.929 1.00 0.00 C ATOM 0 H MET A 69 -9.706 -6.624 1.514 1.00 0.00 H new ATOM 0 HA MET A 69 -9.157 -4.522 -0.413 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.015 -3.517 1.313 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.131 -4.503 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.203 -6.299 2.138 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.187 -4.922 1.759 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.509 -3.114 4.747 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.702 -3.098 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.976 -2.418 4.018 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.988 -5.213 -1.431 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.832 -5.712 -2.165 1.00 0.00 C ATOM 1146 C GLU A 70 -4.630 -4.789 -1.980 1.00 0.00 C ATOM 1147 O GLU A 70 -4.698 -3.597 -2.274 1.00 0.00 O ATOM 1148 CB GLU A 70 -6.163 -5.845 -3.652 1.00 0.00 C ATOM 1149 CG GLU A 70 -5.389 -6.950 -4.352 1.00 0.00 C ATOM 1150 CD GLU A 70 -6.156 -7.557 -5.510 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -7.276 -8.060 -5.281 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -5.636 -7.529 -6.645 1.00 0.00 O ATOM 0 H GLU A 70 -7.345 -4.318 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.578 -6.695 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.231 -6.035 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.955 -4.897 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.443 -6.550 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.148 -7.732 -3.632 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.530 -5.351 -1.489 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.313 -4.581 -1.265 1.00 0.00 C ATOM 1161 C VAL A 71 -1.184 -5.060 -2.172 1.00 0.00 C ATOM 1162 O VAL A 71 -0.944 -6.260 -2.300 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.852 -4.673 0.202 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.755 -3.658 0.482 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.030 -4.472 1.144 1.00 0.00 C ATOM 0 H VAL A 71 -3.457 -6.337 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.548 -3.543 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.444 -5.669 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.442 -3.738 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.097 -3.854 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.132 -2.653 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.686 -4.540 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.470 -3.490 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.779 -5.242 0.959 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.495 -4.113 -2.799 1.00 0.00 N ATOM 1176 CA ASP A 72 0.610 -4.438 -3.693 1.00 0.00 C ATOM 1177 C ASP A 72 1.661 -3.332 -3.683 1.00 0.00 C ATOM 1178 O ASP A 72 1.340 -2.158 -3.493 1.00 0.00 O ATOM 1179 CB ASP A 72 0.095 -4.655 -5.117 1.00 0.00 C ATOM 1180 CG ASP A 72 1.117 -5.336 -6.006 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.868 -6.195 -5.496 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.167 -5.011 -7.210 1.00 0.00 O ATOM 0 H ASP A 72 -0.682 -3.115 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 72 1.073 -5.358 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.812 -5.258 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.177 -3.693 -5.552 1.00 0.00 H new ATOM 1187 N TYR A 73 2.916 -3.715 -3.885 1.00 0.00 N ATOM 1188 CA TYR A 73 4.015 -2.757 -3.895 1.00 0.00 C ATOM 1189 C TYR A 73 3.674 -1.545 -4.757 1.00 0.00 C ATOM 1190 O TYR A 73 3.077 -1.677 -5.825 1.00 0.00 O ATOM 1191 CB TYR A 73 5.294 -3.419 -4.413 1.00 0.00 C ATOM 1192 CG TYR A 73 5.589 -4.753 -3.764 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.983 -4.828 -2.433 1.00 0.00 C ATOM 1194 CD2 TYR A 73 5.477 -5.937 -4.481 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.256 -6.043 -1.837 1.00 0.00 C ATOM 1196 CE2 TYR A 73 5.745 -7.157 -3.892 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.134 -7.205 -2.570 1.00 0.00 C ATOM 1198 OH TYR A 73 6.405 -8.418 -1.980 1.00 0.00 O ATOM 0 H TYR A 73 3.198 -4.682 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 73 4.177 -2.420 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.210 -3.559 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.136 -2.747 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.077 -3.920 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.175 -5.903 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.563 -6.083 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.650 -8.068 -4.464 1.00 0.00 H new ATOM 0 HH TYR A 73 6.270 -9.137 -2.632 1.00 0.00 H new ATOM 1208 N SER A 74 4.057 -0.364 -4.283 1.00 0.00 N ATOM 1209 CA SER A 74 3.789 0.874 -5.007 1.00 0.00 C ATOM 1210 C SER A 74 4.925 1.196 -5.972 1.00 0.00 C ATOM 1211 O SER A 74 5.863 1.915 -5.626 1.00 0.00 O ATOM 1212 CB SER A 74 3.593 2.032 -4.025 1.00 0.00 C ATOM 1213 OG SER A 74 2.941 3.125 -4.649 1.00 0.00 O ATOM 0 H SER A 74 4.554 -0.238 -3.401 1.00 0.00 H new ATOM 0 HA SER A 74 2.874 0.738 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.006 1.694 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.560 2.354 -3.639 1.00 0.00 H new ATOM 0 HG SER A 74 1.979 3.080 -4.466 1.00 0.00 H new ATOM 1219 N VAL A 75 4.835 0.659 -7.184 1.00 0.00 N ATOM 1220 CA VAL A 75 5.854 0.889 -8.200 1.00 0.00 C ATOM 1221 C VAL A 75 5.236 0.962 -9.592 1.00 0.00 C ATOM 1222 O VAL A 75 4.091 0.560 -9.796 1.00 0.00 O ATOM 1223 CB VAL A 75 6.923 -0.220 -8.184 1.00 0.00 C ATOM 1224 CG1 VAL A 75 7.597 -0.292 -6.821 1.00 0.00 C ATOM 1225 CG2 VAL A 75 6.307 -1.560 -8.555 1.00 0.00 C ATOM 0 H VAL A 75 4.066 0.061 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 75 6.326 1.843 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 75 7.683 0.022 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.349 -1.081 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.075 0.663 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.851 -0.509 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.077 -2.331 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.525 -1.812 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.877 -1.498 -9.555 1.00 0.00 H new ATOM 1235 N SER A 76 6.002 1.479 -10.547 1.00 0.00 N ATOM 1236 CA SER A 76 5.529 1.610 -11.921 1.00 0.00 C ATOM 1237 C SER A 76 6.489 0.932 -12.892 1.00 0.00 C ATOM 1238 O SER A 76 6.798 1.470 -13.955 1.00 0.00 O ATOM 1239 CB SER A 76 5.368 3.086 -12.289 1.00 0.00 C ATOM 1240 OG SER A 76 4.308 3.681 -11.561 1.00 0.00 O ATOM 0 H SER A 76 6.953 1.814 -10.395 1.00 0.00 H new ATOM 0 HA SER A 76 4.559 1.118 -11.994 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.297 3.618 -12.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.176 3.179 -13.358 1.00 0.00 H new ATOM 0 HG SER A 76 4.227 4.625 -11.813 1.00 0.00 H new ATOM 1246 N LYS A 77 6.961 -0.253 -12.520 1.00 0.00 N ATOM 1247 CA LYS A 77 7.886 -1.007 -13.357 1.00 0.00 C ATOM 1248 C LYS A 77 7.168 -2.150 -14.070 1.00 0.00 C ATOM 1249 O LYS A 77 6.166 -2.670 -13.577 1.00 0.00 O ATOM 1250 CB LYS A 77 9.034 -1.561 -12.513 1.00 0.00 C ATOM 1251 CG LYS A 77 10.217 -2.043 -13.335 1.00 0.00 C ATOM 1252 CD LYS A 77 11.184 -0.909 -13.639 1.00 0.00 C ATOM 1253 CE LYS A 77 12.152 -1.286 -14.750 1.00 0.00 C ATOM 1254 NZ LYS A 77 13.319 -0.362 -14.805 1.00 0.00 N ATOM 0 H LYS A 77 6.717 -0.712 -11.643 1.00 0.00 H new ATOM 0 HA LYS A 77 8.290 -0.329 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.373 -0.788 -11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.662 -2.388 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.739 -2.833 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.860 -2.478 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.624 -0.020 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.743 -0.655 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.503 -2.306 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.631 -1.270 -15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.955 -0.652 -15.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.986 0.608 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.832 -0.396 -13.901 1.00 0.00 H new ATOM 1268 N LYS A 78 7.686 -2.536 -15.230 1.00 0.00 N ATOM 1269 CA LYS A 78 7.097 -3.618 -16.010 1.00 0.00 C ATOM 1270 C LYS A 78 8.024 -4.038 -17.145 1.00 0.00 C ATOM 1271 O LYS A 78 8.845 -3.249 -17.614 1.00 0.00 O ATOM 1272 CB LYS A 78 5.742 -3.187 -16.575 1.00 0.00 C ATOM 1273 CG LYS A 78 4.873 -4.350 -17.023 1.00 0.00 C ATOM 1274 CD LYS A 78 3.498 -3.879 -17.468 1.00 0.00 C ATOM 1275 CE LYS A 78 2.444 -4.953 -17.249 1.00 0.00 C ATOM 1276 NZ LYS A 78 1.113 -4.540 -17.775 1.00 0.00 N ATOM 0 H LYS A 78 8.514 -2.115 -15.652 1.00 0.00 H new ATOM 0 HA LYS A 78 6.953 -4.473 -15.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.207 -2.615 -15.817 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.906 -2.520 -17.421 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.362 -4.876 -17.843 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.768 -5.063 -16.205 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.224 -2.980 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.529 -3.608 -18.523 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.758 -5.875 -17.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.362 -5.170 -16.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.422 -5.299 -17.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.801 -3.674 -17.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.185 -4.358 -18.796 1.00 0.00 H new ATOM 1290 N LEU A 79 7.887 -5.284 -17.585 1.00 0.00 N ATOM 1291 CA LEU A 79 8.712 -5.809 -18.668 1.00 0.00 C ATOM 1292 C LEU A 79 7.871 -6.620 -19.649 1.00 0.00 C ATOM 1293 O LEU A 79 6.876 -7.235 -19.268 1.00 0.00 O ATOM 1294 CB LEU A 79 9.837 -6.677 -18.104 1.00 0.00 C ATOM 1295 CG LEU A 79 9.402 -7.937 -17.354 1.00 0.00 C ATOM 1296 CD1 LEU A 79 9.245 -9.104 -18.318 1.00 0.00 C ATOM 1297 CD2 LEU A 79 10.400 -8.278 -16.258 1.00 0.00 C ATOM 0 H LEU A 79 7.212 -5.950 -17.209 1.00 0.00 H new ATOM 0 HA LEU A 79 9.147 -4.964 -19.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.487 -6.975 -18.927 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.437 -6.066 -17.430 1.00 0.00 H new ATOM 0 HG LEU A 79 8.435 -7.744 -16.889 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.935 -9.992 -17.767 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.491 -8.859 -19.066 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.197 -9.298 -18.813 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.074 -9.177 -15.736 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.381 -8.451 -16.700 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.462 -7.450 -15.552 1.00 0.00 H new ATOM 1309 N ARG A 80 8.280 -6.616 -20.914 1.00 0.00 N ATOM 1310 CA ARG A 80 7.565 -7.353 -21.950 1.00 0.00 C ATOM 1311 C ARG A 80 8.376 -8.557 -22.418 1.00 0.00 C ATOM 1312 O ARG A 80 9.602 -8.571 -22.314 1.00 0.00 O ATOM 1313 CB ARG A 80 7.258 -6.437 -23.136 1.00 0.00 C ATOM 1314 CG ARG A 80 6.537 -7.138 -24.276 1.00 0.00 C ATOM 1315 CD ARG A 80 5.802 -6.146 -25.164 1.00 0.00 C ATOM 1316 NE ARG A 80 5.324 -6.766 -26.397 1.00 0.00 N ATOM 1317 CZ ARG A 80 4.828 -6.079 -27.420 1.00 0.00 C ATOM 1318 NH1 ARG A 80 4.745 -4.758 -27.358 1.00 0.00 N ATOM 1319 NH2 ARG A 80 4.413 -6.715 -28.508 1.00 0.00 N ATOM 0 H ARG A 80 9.102 -6.111 -21.246 1.00 0.00 H new ATOM 0 HA ARG A 80 6.628 -7.712 -21.525 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.649 -5.602 -22.791 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.191 -6.017 -23.511 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.256 -7.699 -24.873 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.828 -7.860 -23.870 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.957 -5.727 -24.618 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.466 -5.317 -25.409 1.00 0.00 H new ATOM 0 HE ARG A 80 5.374 -7.782 -26.477 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.062 -4.266 -26.523 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.364 -4.233 -28.145 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.475 -7.732 -28.559 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.032 -6.187 -29.293 1.00 0.00 H new ATOM 1333 N SER A 81 7.682 -9.566 -22.936 1.00 0.00 N ATOM 1334 CA SER A 81 8.338 -10.776 -23.417 1.00 0.00 C ATOM 1335 C SER A 81 8.714 -10.641 -24.889 1.00 0.00 C ATOM 1336 O SER A 81 7.919 -10.173 -25.704 1.00 0.00 O ATOM 1337 CB SER A 81 7.424 -11.988 -23.222 1.00 0.00 C ATOM 1338 OG SER A 81 8.087 -13.189 -23.575 1.00 0.00 O ATOM 0 H SER A 81 6.667 -9.569 -23.033 1.00 0.00 H new ATOM 0 HA SER A 81 9.250 -10.920 -22.838 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.100 -12.040 -22.182 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.527 -11.872 -23.830 1.00 0.00 H new ATOM 0 HG SER A 81 7.482 -13.948 -23.440 1.00 0.00 H new ATOM 1344 N SER A 82 9.932 -11.057 -25.223 1.00 0.00 N ATOM 1345 CA SER A 82 10.417 -10.979 -26.596 1.00 0.00 C ATOM 1346 C SER A 82 10.862 -12.351 -27.093 1.00 0.00 C ATOM 1347 O SER A 82 10.569 -12.740 -28.222 1.00 0.00 O ATOM 1348 CB SER A 82 11.577 -9.987 -26.694 1.00 0.00 C ATOM 1349 OG SER A 82 12.623 -10.336 -25.804 1.00 0.00 O ATOM 0 H SER A 82 10.601 -11.451 -24.561 1.00 0.00 H new ATOM 0 HA SER A 82 9.598 -10.632 -27.226 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.956 -9.966 -27.716 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.221 -8.982 -26.466 1.00 0.00 H new ATOM 0 HG SER A 82 13.353 -9.688 -25.887 1.00 0.00 H new ATOM 1355 N GLY A 83 11.574 -13.080 -26.239 1.00 0.00 N ATOM 1356 CA GLY A 83 12.050 -14.401 -26.608 1.00 0.00 C ATOM 1357 C GLY A 83 11.526 -15.485 -25.686 1.00 0.00 C ATOM 1358 O GLY A 83 12.201 -15.911 -24.749 1.00 0.00 O ATOM 0 H GLY A 83 11.830 -12.780 -25.298 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.746 -14.621 -27.631 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.140 -14.409 -26.591 1.00 0.00 H new ATOM 1362 N PRO A 84 10.294 -15.945 -25.948 1.00 0.00 N ATOM 1363 CA PRO A 84 9.652 -16.990 -25.146 1.00 0.00 C ATOM 1364 C PRO A 84 10.308 -18.353 -25.337 1.00 0.00 C ATOM 1365 O PRO A 84 10.114 -19.009 -26.361 1.00 0.00 O ATOM 1366 CB PRO A 84 8.215 -17.010 -25.673 1.00 0.00 C ATOM 1367 CG PRO A 84 8.314 -16.486 -27.064 1.00 0.00 C ATOM 1368 CD PRO A 84 9.433 -15.481 -27.049 1.00 0.00 C ATOM 0 HA PRO A 84 9.726 -16.786 -24.078 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.802 -18.019 -25.658 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.560 -16.389 -25.062 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.521 -17.290 -27.770 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.377 -16.023 -27.374 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.969 -15.462 -27.998 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.064 -14.471 -26.872 1.00 0.00 H new ATOM 1376 N SER A 85 11.087 -18.775 -24.345 1.00 0.00 N ATOM 1377 CA SER A 85 11.774 -20.059 -24.406 1.00 0.00 C ATOM 1378 C SER A 85 12.323 -20.446 -23.036 1.00 0.00 C ATOM 1379 O SER A 85 12.395 -19.620 -22.128 1.00 0.00 O ATOM 1380 CB SER A 85 12.913 -20.003 -25.427 1.00 0.00 C ATOM 1381 OG SER A 85 13.969 -19.177 -24.969 1.00 0.00 O ATOM 0 H SER A 85 11.258 -18.246 -23.490 1.00 0.00 H new ATOM 0 HA SER A 85 11.053 -20.815 -24.717 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.289 -21.009 -25.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.536 -19.623 -26.377 1.00 0.00 H new ATOM 0 HG SER A 85 14.685 -19.159 -25.638 1.00 0.00 H new ATOM 1387 N SER A 86 12.708 -21.711 -22.897 1.00 0.00 N ATOM 1388 CA SER A 86 13.246 -22.212 -21.637 1.00 0.00 C ATOM 1389 C SER A 86 14.259 -21.232 -21.052 1.00 0.00 C ATOM 1390 O SER A 86 14.178 -20.863 -19.882 1.00 0.00 O ATOM 1391 CB SER A 86 13.901 -23.579 -21.846 1.00 0.00 C ATOM 1392 OG SER A 86 12.956 -24.624 -21.706 1.00 0.00 O ATOM 0 H SER A 86 12.657 -22.407 -23.641 1.00 0.00 H new ATOM 0 HA SER A 86 12.421 -22.317 -20.933 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.351 -23.622 -22.838 1.00 0.00 H new ATOM 0 HB3 SER A 86 14.707 -23.714 -21.124 1.00 0.00 H new ATOM 0 HG SER A 86 13.399 -25.487 -21.846 1.00 0.00 H new ATOM 1398 N GLY A 87 15.215 -20.817 -21.878 1.00 0.00 N ATOM 1399 CA GLY A 87 16.232 -19.884 -21.426 1.00 0.00 C ATOM 1400 C GLY A 87 16.922 -19.177 -22.575 1.00 0.00 C ATOM 1401 O GLY A 87 18.138 -19.286 -22.739 1.00 0.00 O ATOM 0 H GLY A 87 15.304 -21.110 -22.851 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.775 -19.143 -20.770 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.975 -20.419 -20.834 1.00 0.00 H new TER 1405 GLY A 87