USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 14 CYS SG : rot -57:sc= -0.387 USER MOD Set 1.2: A 60 TYR OH : rot -114:sc= 0.0261 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.0045 (180deg=-0.139) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.0308 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 175:sc= 0 (180deg=-0.0201) USER MOD Single : A 19 THR OG1 : rot 83:sc= 0.56 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= -0.0598 (180deg=-0.692) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 0.0438 (180deg=-1.26) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000293) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.883 X(o=-0.88,f=-0.65) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.630 8.965 2.253 1.00 0.00 N ATOM 2 CA MET A 1 10.284 8.518 1.017 1.00 0.00 C ATOM 3 C MET A 1 9.283 8.530 -0.122 1.00 0.00 C ATOM 4 O MET A 1 9.304 9.468 -0.911 1.00 0.00 O ATOM 5 CB MET A 1 10.969 7.147 1.122 1.00 0.00 C ATOM 6 CG MET A 1 12.108 7.096 2.136 1.00 0.00 C ATOM 7 SD MET A 1 13.606 7.979 1.656 1.00 0.00 S ATOM 8 CE MET A 1 14.658 7.418 3.015 1.00 0.00 C ATOM 0 H1 MET A 1 10.352 9.184 2.968 1.00 0.00 H new ATOM 0 H2 MET A 1 9.066 9.817 2.059 1.00 0.00 H new ATOM 0 H3 MET A 1 9.008 8.211 2.609 1.00 0.00 H new ATOM 0 HA MET A 1 11.089 9.226 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.223 6.400 1.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.357 6.871 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.751 7.507 3.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.364 6.052 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.651 7.855 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.223 7.730 3.965 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.735 6.331 2.991 1.00 0.00 H new ATOM 18 N LEU A 2 8.413 7.518 -0.220 1.00 0.00 N ATOM 19 CA LEU A 2 7.427 7.402 -1.290 1.00 0.00 C ATOM 20 C LEU A 2 6.019 7.335 -0.714 1.00 0.00 C ATOM 21 O LEU A 2 5.821 7.246 0.503 1.00 0.00 O ATOM 22 CB LEU A 2 7.730 6.171 -2.182 1.00 0.00 C ATOM 23 CG LEU A 2 8.675 6.366 -3.381 1.00 0.00 C ATOM 24 CD1 LEU A 2 8.197 7.476 -4.321 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.129 6.605 -2.960 1.00 0.00 C ATOM 0 H LEU A 2 8.377 6.751 0.451 1.00 0.00 H new ATOM 0 HA LEU A 2 7.490 8.291 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.153 5.393 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.781 5.792 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 2 8.647 5.425 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.896 7.576 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.209 7.226 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.145 8.418 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.748 6.735 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.186 7.501 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.488 5.748 -2.390 1.00 0.00 H new ATOM 37 N LYS A 3 5.034 7.510 -1.588 1.00 0.00 N ATOM 38 CA LYS A 3 3.622 7.457 -1.264 1.00 0.00 C ATOM 39 C LYS A 3 3.048 6.506 -2.312 1.00 0.00 C ATOM 40 O LYS A 3 3.354 6.662 -3.496 1.00 0.00 O ATOM 41 CB LYS A 3 2.958 8.848 -1.256 1.00 0.00 C ATOM 42 CG LYS A 3 3.514 9.862 -0.233 1.00 0.00 C ATOM 43 CD LYS A 3 4.778 10.616 -0.695 1.00 0.00 C ATOM 44 CE LYS A 3 5.150 11.812 0.193 1.00 0.00 C ATOM 45 NZ LYS A 3 5.335 11.462 1.617 1.00 0.00 N ATOM 0 H LYS A 3 5.208 7.699 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 3 3.434 7.103 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.054 9.279 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.893 8.718 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.736 10.590 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.740 9.335 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.616 9.919 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.627 10.967 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.069 12.261 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.370 12.569 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.584 12.317 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.452 11.061 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.099 10.762 1.706 1.00 0.00 H new ATOM 59 N LEU A 4 2.305 5.490 -1.892 1.00 0.00 N ATOM 60 CA LEU A 4 1.686 4.486 -2.745 1.00 0.00 C ATOM 61 C LEU A 4 0.184 4.681 -2.586 1.00 0.00 C ATOM 62 O LEU A 4 -0.309 4.689 -1.457 1.00 0.00 O ATOM 63 CB LEU A 4 2.142 3.077 -2.304 1.00 0.00 C ATOM 64 CG LEU A 4 2.213 2.036 -3.439 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.609 0.674 -2.856 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.918 1.884 -4.241 1.00 0.00 C ATOM 0 H LEU A 4 2.109 5.337 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 4 1.971 4.587 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.126 3.157 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.458 2.712 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 4 2.962 2.405 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.660 -0.064 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.583 0.754 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.866 0.362 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.057 1.132 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.112 1.573 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.661 2.838 -4.701 1.00 0.00 H new ATOM 78 N LYS A 5 -0.540 4.936 -3.671 1.00 0.00 N ATOM 79 CA LYS A 5 -1.983 5.121 -3.607 1.00 0.00 C ATOM 80 C LYS A 5 -2.601 3.761 -3.876 1.00 0.00 C ATOM 81 O LYS A 5 -2.160 3.066 -4.795 1.00 0.00 O ATOM 82 CB LYS A 5 -2.447 6.185 -4.604 1.00 0.00 C ATOM 83 CG LYS A 5 -1.655 7.486 -4.395 1.00 0.00 C ATOM 84 CD LYS A 5 -2.291 8.645 -5.153 1.00 0.00 C ATOM 85 CE LYS A 5 -1.536 9.939 -4.850 1.00 0.00 C ATOM 86 NZ LYS A 5 -2.021 11.060 -5.674 1.00 0.00 N ATOM 0 H LYS A 5 -0.147 5.019 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.297 5.488 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.307 5.825 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.513 6.374 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.613 7.723 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.628 7.348 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.272 8.445 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.338 8.748 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.649 10.188 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.471 9.790 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.485 11.920 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.890 10.833 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.031 11.219 -5.484 1.00 0.00 H new ATOM 100 N VAL A 6 -3.582 3.376 -3.066 1.00 0.00 N ATOM 101 CA VAL A 6 -4.274 2.107 -3.173 1.00 0.00 C ATOM 102 C VAL A 6 -5.767 2.387 -3.100 1.00 0.00 C ATOM 103 O VAL A 6 -6.258 2.818 -2.050 1.00 0.00 O ATOM 104 CB VAL A 6 -3.803 1.135 -2.074 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.636 -0.159 -2.105 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.300 0.830 -2.179 1.00 0.00 C ATOM 0 H VAL A 6 -3.922 3.956 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.048 1.620 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.960 1.625 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.289 -0.834 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.686 0.080 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.523 -0.641 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.012 0.141 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.087 0.377 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.733 1.756 -2.079 1.00 0.00 H new ATOM 116 N GLU A 7 -6.492 2.158 -4.195 1.00 0.00 N ATOM 117 CA GLU A 7 -7.937 2.390 -4.227 1.00 0.00 C ATOM 118 C GLU A 7 -8.641 1.196 -4.881 1.00 0.00 C ATOM 119 O GLU A 7 -8.011 0.356 -5.526 1.00 0.00 O ATOM 120 CB GLU A 7 -8.234 3.763 -4.873 1.00 0.00 C ATOM 121 CG GLU A 7 -9.653 4.264 -4.529 1.00 0.00 C ATOM 122 CD GLU A 7 -9.904 5.746 -4.832 1.00 0.00 C ATOM 123 OE1 GLU A 7 -9.673 6.598 -3.939 1.00 0.00 O ATOM 124 OE2 GLU A 7 -10.481 6.054 -5.901 1.00 0.00 O ATOM 0 H GLU A 7 -6.103 1.812 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.348 2.451 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.499 4.492 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.128 3.686 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.378 3.667 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.838 4.088 -3.469 1.00 0.00 H new ATOM 131 N GLY A 8 -9.959 1.111 -4.739 1.00 0.00 N ATOM 132 CA GLY A 8 -10.767 0.054 -5.304 1.00 0.00 C ATOM 133 C GLY A 8 -12.237 0.308 -5.009 1.00 0.00 C ATOM 134 O GLY A 8 -12.602 1.183 -4.220 1.00 0.00 O ATOM 0 H GLY A 8 -10.502 1.796 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.608 -0.000 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.465 -0.907 -4.888 1.00 0.00 H new ATOM 138 N MET A 9 -13.104 -0.484 -5.636 1.00 0.00 N ATOM 139 CA MET A 9 -14.549 -0.371 -5.447 1.00 0.00 C ATOM 140 C MET A 9 -15.042 -1.127 -4.203 1.00 0.00 C ATOM 141 O MET A 9 -16.248 -1.169 -3.961 1.00 0.00 O ATOM 142 CB MET A 9 -15.282 -0.821 -6.719 1.00 0.00 C ATOM 143 CG MET A 9 -15.002 -2.271 -7.124 1.00 0.00 C ATOM 144 SD MET A 9 -16.013 -2.827 -8.519 1.00 0.00 S ATOM 145 CE MET A 9 -15.222 -4.425 -8.828 1.00 0.00 C ATOM 0 H MET A 9 -12.827 -1.219 -6.287 1.00 0.00 H new ATOM 0 HA MET A 9 -14.781 0.679 -5.266 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.355 -0.698 -6.570 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.997 -0.164 -7.541 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.948 -2.372 -7.384 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.184 -2.922 -6.269 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.716 -4.920 -9.664 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.170 -4.270 -9.069 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.302 -5.049 -7.938 1.00 0.00 H new ATOM 155 N THR A 10 -14.148 -1.768 -3.450 1.00 0.00 N ATOM 156 CA THR A 10 -14.482 -2.521 -2.251 1.00 0.00 C ATOM 157 C THR A 10 -14.734 -1.585 -1.048 1.00 0.00 C ATOM 158 O THR A 10 -14.648 -0.359 -1.157 1.00 0.00 O ATOM 159 CB THR A 10 -13.381 -3.573 -2.043 1.00 0.00 C ATOM 160 OG1 THR A 10 -13.780 -4.564 -1.119 1.00 0.00 O ATOM 161 CG2 THR A 10 -12.066 -2.956 -1.585 1.00 0.00 C ATOM 0 H THR A 10 -13.151 -1.776 -3.665 1.00 0.00 H new ATOM 0 HA THR A 10 -15.428 -3.051 -2.360 1.00 0.00 H new ATOM 0 HB THR A 10 -13.220 -4.034 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.059 -5.219 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.322 -3.742 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.716 -2.247 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.218 -2.437 -0.639 1.00 0.00 H new ATOM 169 N CYS A 11 -15.097 -2.180 0.091 1.00 0.00 N ATOM 170 CA CYS A 11 -15.401 -1.518 1.356 1.00 0.00 C ATOM 171 C CYS A 11 -14.133 -1.211 2.172 1.00 0.00 C ATOM 172 O CYS A 11 -13.008 -1.330 1.692 1.00 0.00 O ATOM 173 CB CYS A 11 -16.323 -2.441 2.179 1.00 0.00 C ATOM 174 SG CYS A 11 -17.616 -3.215 1.177 1.00 0.00 S ATOM 0 H CYS A 11 -15.191 -3.194 0.156 1.00 0.00 H new ATOM 0 HA CYS A 11 -15.886 -0.567 1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -15.723 -3.218 2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -16.786 -1.864 2.979 1.00 0.00 H new ATOM 0 HG CYS A 11 -18.351 -3.977 1.931 1.00 0.00 H new ATOM 180 N ASN A 12 -14.317 -0.902 3.463 1.00 0.00 N ATOM 181 CA ASN A 12 -13.264 -0.598 4.444 1.00 0.00 C ATOM 182 C ASN A 12 -12.298 -1.775 4.686 1.00 0.00 C ATOM 183 O ASN A 12 -11.370 -1.667 5.488 1.00 0.00 O ATOM 184 CB ASN A 12 -13.898 -0.185 5.784 1.00 0.00 C ATOM 185 CG ASN A 12 -14.552 1.184 5.740 1.00 0.00 C ATOM 186 OD1 ASN A 12 -13.934 2.158 5.327 1.00 0.00 O ATOM 187 ND2 ASN A 12 -15.800 1.297 6.157 1.00 0.00 N ATOM 0 H ASN A 12 -15.250 -0.855 3.872 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.679 0.220 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.643 -0.927 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.131 -0.189 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.264 2.205 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.300 0.476 6.498 1.00 0.00 H new ATOM 194 N HIS A 13 -12.515 -2.932 4.049 1.00 0.00 N ATOM 195 CA HIS A 13 -11.674 -4.124 4.164 1.00 0.00 C ATOM 196 C HIS A 13 -10.241 -3.866 3.665 1.00 0.00 C ATOM 197 O HIS A 13 -9.348 -4.678 3.932 1.00 0.00 O ATOM 198 CB HIS A 13 -12.308 -5.272 3.362 1.00 0.00 C ATOM 199 CG HIS A 13 -13.350 -6.059 4.119 1.00 0.00 C ATOM 200 ND1 HIS A 13 -13.449 -7.430 4.128 1.00 0.00 N ATOM 201 CD2 HIS A 13 -14.338 -5.571 4.933 1.00 0.00 C ATOM 202 CE1 HIS A 13 -14.471 -7.767 4.926 1.00 0.00 C ATOM 203 NE2 HIS A 13 -15.044 -6.666 5.446 1.00 0.00 N ATOM 0 H HIS A 13 -13.307 -3.066 3.420 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.610 -4.392 5.218 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.764 -4.861 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.520 -5.952 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -14.536 -4.530 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.790 -8.780 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.836 -6.635 6.087 1.00 0.00 H new ATOM 211 N CYS A 14 -10.022 -2.751 2.959 1.00 0.00 N ATOM 212 CA CYS A 14 -8.734 -2.366 2.427 1.00 0.00 C ATOM 213 C CYS A 14 -7.666 -2.207 3.498 1.00 0.00 C ATOM 214 O CYS A 14 -6.552 -2.635 3.239 1.00 0.00 O ATOM 215 CB CYS A 14 -8.834 -1.053 1.651 1.00 0.00 C ATOM 216 SG CYS A 14 -9.828 -1.308 0.168 1.00 0.00 S ATOM 0 H CYS A 14 -10.762 -2.083 2.743 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.437 -3.181 1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.284 -0.282 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.839 -0.702 1.379 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.305 -2.260 -0.546 1.00 0.00 H new ATOM 222 N VAL A 15 -7.965 -1.658 4.681 1.00 0.00 N ATOM 223 CA VAL A 15 -6.930 -1.473 5.702 1.00 0.00 C ATOM 224 C VAL A 15 -6.224 -2.796 5.998 1.00 0.00 C ATOM 225 O VAL A 15 -5.002 -2.884 5.864 1.00 0.00 O ATOM 226 CB VAL A 15 -7.505 -0.835 6.986 1.00 0.00 C ATOM 227 CG1 VAL A 15 -6.375 -0.291 7.873 1.00 0.00 C ATOM 228 CG2 VAL A 15 -8.486 0.301 6.677 1.00 0.00 C ATOM 0 H VAL A 15 -8.896 -1.340 4.951 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.189 -0.778 5.308 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.045 -1.623 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.801 0.154 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.708 -1.106 8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.814 0.465 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.864 0.719 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.974 1.080 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.318 -0.087 6.089 1.00 0.00 H new ATOM 238 N MET A 16 -6.984 -3.852 6.297 1.00 0.00 N ATOM 239 CA MET A 16 -6.404 -5.149 6.599 1.00 0.00 C ATOM 240 C MET A 16 -5.747 -5.764 5.366 1.00 0.00 C ATOM 241 O MET A 16 -4.628 -6.262 5.463 1.00 0.00 O ATOM 242 CB MET A 16 -7.478 -6.087 7.161 1.00 0.00 C ATOM 243 CG MET A 16 -6.845 -7.415 7.591 1.00 0.00 C ATOM 244 SD MET A 16 -8.010 -8.627 8.241 1.00 0.00 S ATOM 245 CE MET A 16 -8.883 -9.125 6.738 1.00 0.00 C ATOM 0 H MET A 16 -8.003 -3.827 6.335 1.00 0.00 H new ATOM 0 HA MET A 16 -5.628 -5.008 7.351 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.972 -5.618 8.012 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.245 -6.268 6.407 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.328 -7.850 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.090 -7.213 8.350 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.574 -9.936 6.970 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.440 -8.276 6.342 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.162 -9.465 5.994 1.00 0.00 H new ATOM 255 N ALA A 17 -6.432 -5.754 4.221 1.00 0.00 N ATOM 256 CA ALA A 17 -5.930 -6.329 2.978 1.00 0.00 C ATOM 257 C ALA A 17 -4.578 -5.721 2.577 1.00 0.00 C ATOM 258 O ALA A 17 -3.577 -6.426 2.424 1.00 0.00 O ATOM 259 CB ALA A 17 -7.007 -6.112 1.920 1.00 0.00 C ATOM 0 H ALA A 17 -7.361 -5.341 4.133 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.736 -7.395 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.673 -6.528 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.927 -6.608 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.192 -5.044 1.803 1.00 0.00 H new ATOM 265 N VAL A 18 -4.519 -4.393 2.516 1.00 0.00 N ATOM 266 CA VAL A 18 -3.317 -3.659 2.166 1.00 0.00 C ATOM 267 C VAL A 18 -2.255 -3.966 3.226 1.00 0.00 C ATOM 268 O VAL A 18 -1.105 -4.179 2.857 1.00 0.00 O ATOM 269 CB VAL A 18 -3.641 -2.162 1.978 1.00 0.00 C ATOM 270 CG1 VAL A 18 -2.411 -1.319 1.626 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.635 -1.972 0.824 1.00 0.00 C ATOM 0 H VAL A 18 -5.320 -3.792 2.712 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.909 -3.972 1.205 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.047 -1.833 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.706 -0.277 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.674 -1.399 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.976 -1.681 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.854 -0.911 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.201 -2.360 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.557 -2.510 1.046 1.00 0.00 H new ATOM 281 N THR A 19 -2.598 -4.053 4.520 1.00 0.00 N ATOM 282 CA THR A 19 -1.611 -4.374 5.547 1.00 0.00 C ATOM 283 C THR A 19 -1.029 -5.765 5.274 1.00 0.00 C ATOM 284 O THR A 19 0.184 -5.931 5.377 1.00 0.00 O ATOM 285 CB THR A 19 -2.232 -4.286 6.950 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.471 -2.936 7.292 1.00 0.00 O ATOM 287 CG2 THR A 19 -1.327 -4.885 8.029 1.00 0.00 C ATOM 0 H THR A 19 -3.544 -3.906 4.872 1.00 0.00 H new ATOM 0 HA THR A 19 -0.801 -3.645 5.511 1.00 0.00 H new ATOM 0 HB THR A 19 -3.161 -4.855 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.324 -2.647 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.813 -4.797 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.144 -5.937 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.379 -4.348 8.048 1.00 0.00 H new ATOM 295 N LYS A 20 -1.851 -6.765 4.932 1.00 0.00 N ATOM 296 CA LYS A 20 -1.374 -8.117 4.645 1.00 0.00 C ATOM 297 C LYS A 20 -0.334 -8.053 3.534 1.00 0.00 C ATOM 298 O LYS A 20 0.785 -8.542 3.734 1.00 0.00 O ATOM 299 CB LYS A 20 -2.535 -9.046 4.269 1.00 0.00 C ATOM 300 CG LYS A 20 -3.436 -9.394 5.461 1.00 0.00 C ATOM 301 CD LYS A 20 -4.785 -10.009 5.061 1.00 0.00 C ATOM 302 CE LYS A 20 -4.635 -11.280 4.217 1.00 0.00 C ATOM 303 NZ LYS A 20 -4.502 -11.010 2.769 1.00 0.00 N ATOM 0 H LYS A 20 -2.862 -6.657 4.848 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.913 -8.533 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.136 -8.572 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.134 -9.966 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.908 -10.091 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.618 -8.490 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.354 -10.242 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.362 -9.273 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.760 -11.833 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.501 -11.921 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.018 -11.736 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.897 -10.073 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.497 -11.032 2.503 1.00 0.00 H new ATOM 317 N ALA A 21 -0.670 -7.393 2.424 1.00 0.00 N ATOM 318 CA ALA A 21 0.223 -7.244 1.285 1.00 0.00 C ATOM 319 C ALA A 21 1.521 -6.526 1.685 1.00 0.00 C ATOM 320 O ALA A 21 2.623 -7.022 1.455 1.00 0.00 O ATOM 321 CB ALA A 21 -0.516 -6.448 0.207 1.00 0.00 C ATOM 0 H ALA A 21 -1.577 -6.945 2.294 1.00 0.00 H new ATOM 0 HA ALA A 21 0.503 -8.228 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.132 -6.321 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.417 -6.985 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.790 -5.469 0.601 1.00 0.00 H new ATOM 327 N LEU A 22 1.403 -5.370 2.340 1.00 0.00 N ATOM 328 CA LEU A 22 2.517 -4.538 2.788 1.00 0.00 C ATOM 329 C LEU A 22 3.413 -5.256 3.792 1.00 0.00 C ATOM 330 O LEU A 22 4.613 -4.983 3.853 1.00 0.00 O ATOM 331 CB LEU A 22 1.978 -3.232 3.397 1.00 0.00 C ATOM 332 CG LEU A 22 1.908 -2.046 2.415 1.00 0.00 C ATOM 333 CD1 LEU A 22 1.209 -2.359 1.086 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.198 -0.865 3.086 1.00 0.00 C ATOM 0 H LEU A 22 0.494 -4.974 2.581 1.00 0.00 H new ATOM 0 HA LEU A 22 3.131 -4.314 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.980 -3.417 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.610 -2.952 4.240 1.00 0.00 H new ATOM 0 HG LEU A 22 2.942 -1.806 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.206 -1.468 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.741 -3.161 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.182 -2.670 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.149 -0.027 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.188 -1.161 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.751 -0.566 3.976 1.00 0.00 H new ATOM 346 N LYS A 23 2.879 -6.166 4.600 1.00 0.00 N ATOM 347 CA LYS A 23 3.650 -6.916 5.592 1.00 0.00 C ATOM 348 C LYS A 23 4.420 -8.075 4.962 1.00 0.00 C ATOM 349 O LYS A 23 5.147 -8.754 5.689 1.00 0.00 O ATOM 350 CB LYS A 23 2.735 -7.364 6.747 1.00 0.00 C ATOM 351 CG LYS A 23 2.484 -6.246 7.768 1.00 0.00 C ATOM 352 CD LYS A 23 3.678 -6.062 8.729 1.00 0.00 C ATOM 353 CE LYS A 23 3.699 -4.676 9.386 1.00 0.00 C ATOM 354 NZ LYS A 23 2.536 -4.419 10.264 1.00 0.00 N ATOM 0 H LYS A 23 1.888 -6.408 4.586 1.00 0.00 H new ATOM 0 HA LYS A 23 4.409 -6.255 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.781 -7.701 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.186 -8.218 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.295 -5.310 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.587 -6.475 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.637 -6.827 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.608 -6.214 8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.614 -4.574 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.731 -3.914 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.614 -3.466 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.660 -4.485 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.515 -5.124 11.028 1.00 0.00 H new ATOM 368 N LYS A 24 4.273 -8.357 3.659 1.00 0.00 N ATOM 369 CA LYS A 24 5.014 -9.461 3.050 1.00 0.00 C ATOM 370 C LYS A 24 6.520 -9.210 3.086 1.00 0.00 C ATOM 371 O LYS A 24 7.277 -10.167 3.230 1.00 0.00 O ATOM 372 CB LYS A 24 4.477 -9.802 1.643 1.00 0.00 C ATOM 373 CG LYS A 24 5.048 -9.015 0.443 1.00 0.00 C ATOM 374 CD LYS A 24 6.193 -9.789 -0.246 1.00 0.00 C ATOM 375 CE LYS A 24 6.909 -9.080 -1.406 1.00 0.00 C ATOM 376 NZ LYS A 24 5.981 -8.528 -2.409 1.00 0.00 N ATOM 0 H LYS A 24 3.661 -7.846 3.022 1.00 0.00 H new ATOM 0 HA LYS A 24 4.846 -10.354 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.657 -10.862 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.396 -9.659 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.254 -8.820 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.415 -8.046 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.937 -10.039 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.790 -10.730 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.524 -8.274 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.584 -9.784 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.333 -8.744 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.040 -8.953 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.914 -7.497 -2.290 1.00 0.00 H new ATOM 390 N VAL A 25 6.978 -7.964 2.902 1.00 0.00 N ATOM 391 CA VAL A 25 8.407 -7.656 2.929 1.00 0.00 C ATOM 392 C VAL A 25 8.981 -8.018 4.307 1.00 0.00 C ATOM 393 O VAL A 25 8.278 -7.898 5.313 1.00 0.00 O ATOM 394 CB VAL A 25 8.706 -6.193 2.524 1.00 0.00 C ATOM 395 CG1 VAL A 25 8.918 -6.118 1.007 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.618 -5.186 2.922 1.00 0.00 C ATOM 0 H VAL A 25 6.377 -7.157 2.733 1.00 0.00 H new ATOM 0 HA VAL A 25 8.908 -8.265 2.176 1.00 0.00 H new ATOM 0 HB VAL A 25 9.604 -5.910 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.129 -5.088 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.758 -6.753 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.018 -6.460 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.911 -4.187 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.677 -5.460 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.492 -5.195 4.005 1.00 0.00 H new ATOM 406 N PRO A 26 10.257 -8.437 4.381 1.00 0.00 N ATOM 407 CA PRO A 26 10.869 -8.825 5.637 1.00 0.00 C ATOM 408 C PRO A 26 10.996 -7.664 6.620 1.00 0.00 C ATOM 409 O PRO A 26 10.589 -7.828 7.770 1.00 0.00 O ATOM 410 CB PRO A 26 12.214 -9.451 5.269 1.00 0.00 C ATOM 411 CG PRO A 26 12.564 -8.808 3.929 1.00 0.00 C ATOM 412 CD PRO A 26 11.195 -8.624 3.281 1.00 0.00 C ATOM 0 HA PRO A 26 10.244 -9.540 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.972 -9.241 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.140 -10.535 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.082 -7.858 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.213 -9.447 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.191 -7.763 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.926 -9.494 2.681 1.00 0.00 H new ATOM 420 N GLY A 27 11.513 -6.510 6.193 1.00 0.00 N ATOM 421 CA GLY A 27 11.697 -5.329 7.026 1.00 0.00 C ATOM 422 C GLY A 27 12.622 -4.358 6.308 1.00 0.00 C ATOM 423 O GLY A 27 13.787 -4.233 6.686 1.00 0.00 O ATOM 0 H GLY A 27 11.822 -6.372 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.736 -4.856 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.121 -5.610 7.990 1.00 0.00 H new ATOM 427 N VAL A 28 12.138 -3.753 5.225 1.00 0.00 N ATOM 428 CA VAL A 28 12.901 -2.807 4.409 1.00 0.00 C ATOM 429 C VAL A 28 12.322 -1.377 4.490 1.00 0.00 C ATOM 430 O VAL A 28 12.960 -0.435 4.015 1.00 0.00 O ATOM 431 CB VAL A 28 13.082 -3.389 2.980 1.00 0.00 C ATOM 432 CG1 VAL A 28 14.265 -2.748 2.240 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.337 -4.913 2.965 1.00 0.00 C ATOM 0 H VAL A 28 11.190 -3.908 4.883 1.00 0.00 H new ATOM 0 HA VAL A 28 13.907 -2.684 4.809 1.00 0.00 H new ATOM 0 HB VAL A 28 12.137 -3.165 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.353 -3.186 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.099 -1.674 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.184 -2.928 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.454 -5.252 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.245 -5.136 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.492 -5.428 3.423 1.00 0.00 H new ATOM 443 N GLU A 29 11.129 -1.176 5.073 1.00 0.00 N ATOM 444 CA GLU A 29 10.509 0.147 5.203 1.00 0.00 C ATOM 445 C GLU A 29 9.399 0.169 6.262 1.00 0.00 C ATOM 446 O GLU A 29 8.908 -0.887 6.667 1.00 0.00 O ATOM 447 CB GLU A 29 9.912 0.579 3.841 1.00 0.00 C ATOM 448 CG GLU A 29 8.835 -0.369 3.284 1.00 0.00 C ATOM 449 CD GLU A 29 8.107 0.196 2.059 1.00 0.00 C ATOM 450 OE1 GLU A 29 8.675 1.065 1.352 1.00 0.00 O ATOM 451 OE2 GLU A 29 6.960 -0.237 1.824 1.00 0.00 O ATOM 0 H GLU A 29 10.568 -1.931 5.468 1.00 0.00 H new ATOM 0 HA GLU A 29 11.289 0.839 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.481 1.575 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.720 0.657 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.299 -1.318 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.106 -0.580 4.066 1.00 0.00 H new ATOM 458 N LYS A 30 8.988 1.362 6.708 1.00 0.00 N ATOM 459 CA LYS A 30 7.902 1.574 7.670 1.00 0.00 C ATOM 460 C LYS A 30 6.742 2.050 6.807 1.00 0.00 C ATOM 461 O LYS A 30 6.954 2.934 5.967 1.00 0.00 O ATOM 462 CB LYS A 30 8.256 2.606 8.757 1.00 0.00 C ATOM 463 CG LYS A 30 7.104 2.703 9.781 1.00 0.00 C ATOM 464 CD LYS A 30 7.378 3.657 10.953 1.00 0.00 C ATOM 465 CE LYS A 30 7.369 5.148 10.586 1.00 0.00 C ATOM 466 NZ LYS A 30 6.042 5.658 10.172 1.00 0.00 N ATOM 0 H LYS A 30 9.417 2.234 6.399 1.00 0.00 H new ATOM 0 HA LYS A 30 7.676 0.667 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.179 2.316 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.434 3.581 8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.201 3.030 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.901 1.708 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.630 3.483 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.348 3.410 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.717 5.725 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.080 5.317 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.112 6.673 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.722 5.146 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.359 5.514 10.943 1.00 0.00 H new ATOM 480 N VAL A 31 5.537 1.518 7.015 1.00 0.00 N ATOM 481 CA VAL A 31 4.375 1.886 6.211 1.00 0.00 C ATOM 482 C VAL A 31 3.139 2.194 7.042 1.00 0.00 C ATOM 483 O VAL A 31 2.905 1.572 8.088 1.00 0.00 O ATOM 484 CB VAL A 31 4.095 0.803 5.160 1.00 0.00 C ATOM 485 CG1 VAL A 31 5.305 0.562 4.258 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.707 -0.529 5.803 1.00 0.00 C ATOM 0 H VAL A 31 5.342 0.826 7.739 1.00 0.00 H new ATOM 0 HA VAL A 31 4.621 2.818 5.702 1.00 0.00 H new ATOM 0 HB VAL A 31 3.262 1.177 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.066 -0.211 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.561 1.485 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.152 0.240 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.517 -1.268 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.520 -0.875 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.807 -0.395 6.403 1.00 0.00 H new ATOM 496 N GLU A 32 2.358 3.168 6.578 1.00 0.00 N ATOM 497 CA GLU A 32 1.129 3.609 7.221 1.00 0.00 C ATOM 498 C GLU A 32 0.071 4.005 6.186 1.00 0.00 C ATOM 499 O GLU A 32 0.441 4.583 5.167 1.00 0.00 O ATOM 500 CB GLU A 32 1.529 4.771 8.122 1.00 0.00 C ATOM 501 CG GLU A 32 0.384 5.278 8.986 1.00 0.00 C ATOM 502 CD GLU A 32 0.952 6.347 9.904 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.039 7.515 9.452 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.481 5.979 10.978 1.00 0.00 O ATOM 0 H GLU A 32 2.571 3.683 5.723 1.00 0.00 H new ATOM 0 HA GLU A 32 0.667 2.813 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.351 4.458 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.901 5.589 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.413 5.688 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.050 4.464 9.566 1.00 0.00 H new ATOM 511 N VAL A 33 -1.217 3.727 6.423 1.00 0.00 N ATOM 512 CA VAL A 33 -2.326 4.064 5.517 1.00 0.00 C ATOM 513 C VAL A 33 -3.305 4.996 6.230 1.00 0.00 C ATOM 514 O VAL A 33 -3.625 4.755 7.395 1.00 0.00 O ATOM 515 CB VAL A 33 -3.040 2.797 4.996 1.00 0.00 C ATOM 516 CG1 VAL A 33 -2.151 2.075 3.983 1.00 0.00 C ATOM 517 CG2 VAL A 33 -3.451 1.800 6.092 1.00 0.00 C ATOM 0 H VAL A 33 -1.526 3.250 7.270 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.918 4.577 4.646 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.962 3.154 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.662 1.183 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.942 2.739 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.214 1.788 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.945 0.942 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.564 1.465 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.136 2.286 6.787 1.00 0.00 H new ATOM 527 N SER A 34 -3.749 6.072 5.573 1.00 0.00 N ATOM 528 CA SER A 34 -4.688 7.014 6.182 1.00 0.00 C ATOM 529 C SER A 34 -6.077 6.382 6.281 1.00 0.00 C ATOM 530 O SER A 34 -6.479 5.587 5.429 1.00 0.00 O ATOM 531 CB SER A 34 -4.729 8.309 5.358 1.00 0.00 C ATOM 532 OG SER A 34 -5.577 9.297 5.929 1.00 0.00 O ATOM 0 H SER A 34 -3.473 6.311 4.621 1.00 0.00 H new ATOM 0 HA SER A 34 -4.355 7.257 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.719 8.710 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.072 8.082 4.349 1.00 0.00 H new ATOM 0 HG SER A 34 -5.567 10.101 5.368 1.00 0.00 H new ATOM 538 N LEU A 35 -6.804 6.668 7.361 1.00 0.00 N ATOM 539 CA LEU A 35 -8.163 6.159 7.547 1.00 0.00 C ATOM 540 C LEU A 35 -9.145 6.892 6.619 1.00 0.00 C ATOM 541 O LEU A 35 -10.172 6.346 6.224 1.00 0.00 O ATOM 542 CB LEU A 35 -8.600 6.268 9.017 1.00 0.00 C ATOM 543 CG LEU A 35 -8.198 5.048 9.868 1.00 0.00 C ATOM 544 CD1 LEU A 35 -6.682 4.900 10.041 1.00 0.00 C ATOM 545 CD2 LEU A 35 -8.830 5.185 11.255 1.00 0.00 C ATOM 0 H LEU A 35 -6.471 7.254 8.126 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.170 5.102 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.162 7.166 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.682 6.389 9.058 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.553 4.162 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.469 4.021 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.214 4.786 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.284 5.787 10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.553 4.327 11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.473 6.099 11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.915 5.226 11.158 1.00 0.00 H new ATOM 557 N GLU A 36 -8.838 8.144 6.286 1.00 0.00 N ATOM 558 CA GLU A 36 -9.618 9.051 5.449 1.00 0.00 C ATOM 559 C GLU A 36 -9.452 8.864 3.932 1.00 0.00 C ATOM 560 O GLU A 36 -10.357 9.214 3.167 1.00 0.00 O ATOM 561 CB GLU A 36 -9.156 10.448 5.882 1.00 0.00 C ATOM 562 CG GLU A 36 -9.820 11.647 5.208 1.00 0.00 C ATOM 563 CD GLU A 36 -9.318 12.944 5.847 1.00 0.00 C ATOM 564 OE1 GLU A 36 -8.087 13.124 6.029 1.00 0.00 O ATOM 565 OE2 GLU A 36 -10.165 13.804 6.183 1.00 0.00 O ATOM 0 H GLU A 36 -7.978 8.581 6.617 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.681 8.862 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.312 10.536 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.082 10.516 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.596 11.646 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.903 11.578 5.307 1.00 0.00 H new ATOM 572 N LYS A 37 -8.301 8.364 3.473 1.00 0.00 N ATOM 573 CA LYS A 37 -8.013 8.160 2.051 1.00 0.00 C ATOM 574 C LYS A 37 -7.146 6.923 1.888 1.00 0.00 C ATOM 575 O LYS A 37 -6.447 6.558 2.826 1.00 0.00 O ATOM 576 CB LYS A 37 -7.229 9.369 1.500 1.00 0.00 C ATOM 577 CG LYS A 37 -7.881 10.738 1.731 1.00 0.00 C ATOM 578 CD LYS A 37 -7.096 11.860 1.047 1.00 0.00 C ATOM 579 CE LYS A 37 -7.900 13.160 1.165 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.424 14.203 0.237 1.00 0.00 N ATOM 0 H LYS A 37 -7.534 8.086 4.086 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.953 8.044 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.239 9.376 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.086 9.230 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.902 10.724 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.942 10.936 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.118 11.976 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.922 11.616 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.951 12.953 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.837 13.531 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.999 15.061 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.428 14.422 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.509 13.862 -0.742 1.00 0.00 H new ATOM 594 N GLY A 38 -7.099 6.334 0.697 1.00 0.00 N ATOM 595 CA GLY A 38 -6.298 5.152 0.407 1.00 0.00 C ATOM 596 C GLY A 38 -4.833 5.507 0.142 1.00 0.00 C ATOM 597 O GLY A 38 -4.191 4.876 -0.697 1.00 0.00 O ATOM 0 H GLY A 38 -7.627 6.672 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.358 4.458 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.710 4.638 -0.462 1.00 0.00 H new ATOM 601 N GLU A 39 -4.304 6.529 0.813 1.00 0.00 N ATOM 602 CA GLU A 39 -2.939 7.004 0.668 1.00 0.00 C ATOM 603 C GLU A 39 -2.069 6.259 1.685 1.00 0.00 C ATOM 604 O GLU A 39 -2.332 6.335 2.896 1.00 0.00 O ATOM 605 CB GLU A 39 -2.900 8.521 0.931 1.00 0.00 C ATOM 606 CG GLU A 39 -3.813 9.367 0.020 1.00 0.00 C ATOM 607 CD GLU A 39 -3.445 9.330 -1.466 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.269 9.629 -1.780 1.00 0.00 O ATOM 609 OE2 GLU A 39 -4.341 9.059 -2.296 1.00 0.00 O ATOM 0 H GLU A 39 -4.838 7.065 1.497 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.566 6.819 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.181 8.701 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.873 8.868 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.840 9.020 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.786 10.402 0.361 1.00 0.00 H new ATOM 616 N ALA A 40 -0.996 5.622 1.204 1.00 0.00 N ATOM 617 CA ALA A 40 -0.066 4.845 2.004 1.00 0.00 C ATOM 618 C ALA A 40 1.312 5.492 1.956 1.00 0.00 C ATOM 619 O ALA A 40 1.873 5.701 0.880 1.00 0.00 O ATOM 620 CB ALA A 40 0.038 3.409 1.467 1.00 0.00 C ATOM 0 H ALA A 40 -0.750 5.639 0.214 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.432 4.817 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.739 2.842 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.943 2.935 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.391 3.431 0.436 1.00 0.00 H new ATOM 626 N LEU A 41 1.839 5.887 3.109 1.00 0.00 N ATOM 627 CA LEU A 41 3.154 6.497 3.228 1.00 0.00 C ATOM 628 C LEU A 41 4.130 5.366 3.470 1.00 0.00 C ATOM 629 O LEU A 41 3.873 4.504 4.317 1.00 0.00 O ATOM 630 CB LEU A 41 3.192 7.518 4.374 1.00 0.00 C ATOM 631 CG LEU A 41 3.146 8.950 3.824 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.879 9.201 2.999 1.00 0.00 C ATOM 633 CD2 LEU A 41 3.236 9.937 4.985 1.00 0.00 C ATOM 0 H LEU A 41 1.355 5.790 4.001 1.00 0.00 H new ATOM 0 HA LEU A 41 3.411 7.048 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.348 7.353 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.098 7.378 4.963 1.00 0.00 H new ATOM 0 HG LEU A 41 3.995 9.091 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.884 10.226 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.850 8.510 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.000 9.046 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.204 10.956 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.397 9.779 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.171 9.782 5.523 1.00 0.00 H new ATOM 645 N VAL A 42 5.256 5.403 2.756 1.00 0.00 N ATOM 646 CA VAL A 42 6.300 4.398 2.831 1.00 0.00 C ATOM 647 C VAL A 42 7.643 5.113 3.051 1.00 0.00 C ATOM 648 O VAL A 42 7.973 6.107 2.379 1.00 0.00 O ATOM 649 CB VAL A 42 6.213 3.446 1.607 1.00 0.00 C ATOM 650 CG1 VAL A 42 4.764 3.178 1.140 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.977 3.927 0.376 1.00 0.00 C ATOM 0 H VAL A 42 5.466 6.152 2.097 1.00 0.00 H new ATOM 0 HA VAL A 42 6.180 3.731 3.684 1.00 0.00 H new ATOM 0 HB VAL A 42 6.672 2.536 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.777 2.506 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.199 2.720 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.293 4.119 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.862 3.202 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.582 4.891 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.034 4.032 0.622 1.00 0.00 H new ATOM 661 N GLU A 43 8.421 4.619 4.017 1.00 0.00 N ATOM 662 CA GLU A 43 9.710 5.167 4.401 1.00 0.00 C ATOM 663 C GLU A 43 10.744 4.061 4.605 1.00 0.00 C ATOM 664 O GLU A 43 10.734 3.388 5.638 1.00 0.00 O ATOM 665 CB GLU A 43 9.501 5.996 5.676 1.00 0.00 C ATOM 666 CG GLU A 43 10.792 6.667 6.150 1.00 0.00 C ATOM 667 CD GLU A 43 10.523 7.602 7.326 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.004 7.155 8.370 1.00 0.00 O ATOM 669 OE2 GLU A 43 10.781 8.823 7.166 1.00 0.00 O ATOM 0 H GLU A 43 8.157 3.801 4.566 1.00 0.00 H new ATOM 0 HA GLU A 43 10.103 5.803 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.744 6.759 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.117 5.352 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.515 5.906 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.237 7.229 5.329 1.00 0.00 H new ATOM 676 N GLY A 44 11.674 3.906 3.663 1.00 0.00 N ATOM 677 CA GLY A 44 12.727 2.909 3.717 1.00 0.00 C ATOM 678 C GLY A 44 13.442 2.829 2.379 1.00 0.00 C ATOM 679 O GLY A 44 13.565 3.839 1.675 1.00 0.00 O ATOM 0 H GLY A 44 11.711 4.486 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.438 3.163 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.305 1.937 3.971 1.00 0.00 H new ATOM 683 N THR A 45 13.916 1.635 2.042 1.00 0.00 N ATOM 684 CA THR A 45 14.636 1.342 0.807 1.00 0.00 C ATOM 685 C THR A 45 13.929 0.253 -0.024 1.00 0.00 C ATOM 686 O THR A 45 14.494 -0.246 -1.003 1.00 0.00 O ATOM 687 CB THR A 45 16.095 1.000 1.159 1.00 0.00 C ATOM 688 OG1 THR A 45 16.183 0.082 2.238 1.00 0.00 O ATOM 689 CG2 THR A 45 16.926 2.229 1.536 1.00 0.00 C ATOM 0 H THR A 45 13.806 0.816 2.641 1.00 0.00 H new ATOM 0 HA THR A 45 14.641 2.220 0.161 1.00 0.00 H new ATOM 0 HB THR A 45 16.497 0.557 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.125 -0.110 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.944 1.921 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.944 2.927 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.483 2.715 2.405 1.00 0.00 H new ATOM 697 N ALA A 46 12.715 -0.160 0.371 1.00 0.00 N ATOM 698 CA ALA A 46 11.976 -1.180 -0.355 1.00 0.00 C ATOM 699 C ALA A 46 11.596 -0.637 -1.730 1.00 0.00 C ATOM 700 O ALA A 46 11.160 0.511 -1.852 1.00 0.00 O ATOM 701 CB ALA A 46 10.720 -1.596 0.411 1.00 0.00 C ATOM 0 H ALA A 46 12.231 0.203 1.192 1.00 0.00 H new ATOM 0 HA ALA A 46 12.607 -2.062 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.186 -2.360 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.003 -1.996 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.074 -0.729 0.549 1.00 0.00 H new ATOM 707 N ASP A 47 11.723 -1.477 -2.750 1.00 0.00 N ATOM 708 CA ASP A 47 11.400 -1.097 -4.118 1.00 0.00 C ATOM 709 C ASP A 47 9.895 -0.955 -4.293 1.00 0.00 C ATOM 710 O ASP A 47 9.130 -1.709 -3.681 1.00 0.00 O ATOM 711 CB ASP A 47 11.922 -2.142 -5.097 1.00 0.00 C ATOM 712 CG ASP A 47 13.354 -1.793 -5.458 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.522 -0.897 -6.310 1.00 0.00 O ATOM 714 OD2 ASP A 47 14.269 -2.380 -4.826 1.00 0.00 O ATOM 0 H ASP A 47 12.052 -2.438 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 47 11.877 -0.139 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.876 -3.135 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.301 -2.165 -5.992 1.00 0.00 H new ATOM 719 N PRO A 48 9.441 -0.050 -5.175 1.00 0.00 N ATOM 720 CA PRO A 48 8.024 0.153 -5.392 1.00 0.00 C ATOM 721 C PRO A 48 7.395 -1.101 -5.984 1.00 0.00 C ATOM 722 O PRO A 48 6.365 -1.549 -5.496 1.00 0.00 O ATOM 723 CB PRO A 48 7.907 1.372 -6.312 1.00 0.00 C ATOM 724 CG PRO A 48 9.260 1.434 -7.019 1.00 0.00 C ATOM 725 CD PRO A 48 10.226 0.879 -5.974 1.00 0.00 C ATOM 0 HA PRO A 48 7.483 0.339 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.090 1.257 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.711 2.282 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.266 0.836 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.518 2.454 -7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.069 0.375 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.638 1.677 -5.357 1.00 0.00 H new ATOM 733 N LYS A 49 8.035 -1.724 -6.977 1.00 0.00 N ATOM 734 CA LYS A 49 7.519 -2.920 -7.641 1.00 0.00 C ATOM 735 C LYS A 49 7.215 -4.083 -6.703 1.00 0.00 C ATOM 736 O LYS A 49 6.337 -4.883 -7.031 1.00 0.00 O ATOM 737 CB LYS A 49 8.485 -3.356 -8.741 1.00 0.00 C ATOM 738 CG LYS A 49 8.600 -2.252 -9.803 1.00 0.00 C ATOM 739 CD LYS A 49 9.386 -2.724 -11.017 1.00 0.00 C ATOM 740 CE LYS A 49 8.545 -3.697 -11.855 1.00 0.00 C ATOM 741 NZ LYS A 49 9.306 -4.234 -12.993 1.00 0.00 N ATOM 0 H LYS A 49 8.933 -1.409 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 49 6.557 -2.638 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.466 -3.565 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.134 -4.280 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.603 -1.939 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.088 -1.379 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.676 -1.867 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.306 -3.213 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.204 -4.519 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.655 -3.186 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.705 -4.887 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.610 -3.452 -13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.142 -4.743 -12.642 1.00 0.00 H new ATOM 755 N ALA A 50 7.922 -4.220 -5.579 1.00 0.00 N ATOM 756 CA ALA A 50 7.657 -5.303 -4.641 1.00 0.00 C ATOM 757 C ALA A 50 6.328 -5.030 -3.928 1.00 0.00 C ATOM 758 O ALA A 50 5.482 -5.916 -3.778 1.00 0.00 O ATOM 759 CB ALA A 50 8.812 -5.411 -3.636 1.00 0.00 C ATOM 0 H ALA A 50 8.679 -3.595 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 50 7.582 -6.252 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.611 -6.222 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.741 -5.614 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.906 -4.474 -3.088 1.00 0.00 H new ATOM 765 N LEU A 51 6.161 -3.805 -3.423 1.00 0.00 N ATOM 766 CA LEU A 51 4.966 -3.367 -2.706 1.00 0.00 C ATOM 767 C LEU A 51 3.771 -3.304 -3.649 1.00 0.00 C ATOM 768 O LEU A 51 2.712 -3.830 -3.310 1.00 0.00 O ATOM 769 CB LEU A 51 5.228 -2.014 -2.029 1.00 0.00 C ATOM 770 CG LEU A 51 5.985 -2.083 -0.688 1.00 0.00 C ATOM 771 CD1 LEU A 51 5.180 -2.836 0.385 1.00 0.00 C ATOM 772 CD2 LEU A 51 7.396 -2.679 -0.758 1.00 0.00 C ATOM 0 H LEU A 51 6.870 -3.076 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 51 4.728 -4.092 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.796 -1.387 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.271 -1.519 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 51 6.103 -1.035 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.748 -2.862 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.232 -2.325 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.988 -3.855 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.840 -2.681 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.341 -3.701 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.012 -2.079 -1.428 1.00 0.00 H new ATOM 784 N VAL A 52 3.950 -2.686 -4.817 1.00 0.00 N ATOM 785 CA VAL A 52 2.935 -2.548 -5.846 1.00 0.00 C ATOM 786 C VAL A 52 2.457 -3.948 -6.198 1.00 0.00 C ATOM 787 O VAL A 52 1.256 -4.180 -6.130 1.00 0.00 O ATOM 788 CB VAL A 52 3.480 -1.766 -7.058 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.534 -1.788 -8.267 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.708 -0.291 -6.697 1.00 0.00 C ATOM 0 H VAL A 52 4.838 -2.255 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 52 2.086 -1.963 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 52 4.412 -2.265 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.976 -1.220 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.374 -2.818 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.579 -1.341 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.093 0.241 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.765 0.157 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.429 -0.223 -5.882 1.00 0.00 H new ATOM 800 N GLN A 53 3.356 -4.894 -6.520 1.00 0.00 N ATOM 801 CA GLN A 53 2.881 -6.229 -6.843 1.00 0.00 C ATOM 802 C GLN A 53 2.131 -6.834 -5.675 1.00 0.00 C ATOM 803 O GLN A 53 1.066 -7.377 -5.932 1.00 0.00 O ATOM 804 CB GLN A 53 3.966 -7.195 -7.341 1.00 0.00 C ATOM 805 CG GLN A 53 4.100 -7.139 -8.867 1.00 0.00 C ATOM 806 CD GLN A 53 2.777 -7.449 -9.568 1.00 0.00 C ATOM 807 OE1 GLN A 53 2.236 -8.549 -9.469 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.194 -6.480 -10.247 1.00 0.00 N ATOM 0 H GLN A 53 4.366 -4.761 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 53 2.204 -6.091 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.921 -6.942 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.722 -8.211 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.445 -6.149 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.858 -7.852 -9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.646 -5.569 -10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.291 -6.641 -10.693 1.00 0.00 H new ATOM 817 N ALA A 54 2.622 -6.704 -4.434 1.00 0.00 N ATOM 818 CA ALA A 54 1.930 -7.270 -3.280 1.00 0.00 C ATOM 819 C ALA A 54 0.467 -6.819 -3.227 1.00 0.00 C ATOM 820 O ALA A 54 -0.424 -7.638 -3.023 1.00 0.00 O ATOM 821 CB ALA A 54 2.650 -6.935 -1.978 1.00 0.00 C ATOM 0 H ALA A 54 3.489 -6.215 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 54 1.941 -8.354 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.108 -7.372 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.661 -7.340 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.696 -5.853 -1.856 1.00 0.00 H new ATOM 827 N VAL A 55 0.194 -5.524 -3.413 1.00 0.00 N ATOM 828 CA VAL A 55 -1.187 -5.035 -3.385 1.00 0.00 C ATOM 829 C VAL A 55 -1.952 -5.456 -4.657 1.00 0.00 C ATOM 830 O VAL A 55 -3.168 -5.650 -4.612 1.00 0.00 O ATOM 831 CB VAL A 55 -1.276 -3.521 -3.077 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.787 -3.224 -1.649 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.487 -2.628 -4.044 1.00 0.00 C ATOM 0 H VAL A 55 0.898 -4.806 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.692 -5.518 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.332 -3.280 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.859 -2.154 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.406 -3.765 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.250 -3.543 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.605 -1.584 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.569 -2.897 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.863 -2.768 -5.057 1.00 0.00 H new ATOM 843 N GLU A 56 -1.277 -5.559 -5.803 1.00 0.00 N ATOM 844 CA GLU A 56 -1.847 -5.948 -7.098 1.00 0.00 C ATOM 845 C GLU A 56 -2.289 -7.419 -7.129 1.00 0.00 C ATOM 846 O GLU A 56 -3.142 -7.778 -7.941 1.00 0.00 O ATOM 847 CB GLU A 56 -0.844 -5.612 -8.216 1.00 0.00 C ATOM 848 CG GLU A 56 -1.506 -5.326 -9.571 1.00 0.00 C ATOM 849 CD GLU A 56 -0.471 -4.954 -10.638 1.00 0.00 C ATOM 850 OE1 GLU A 56 0.192 -3.899 -10.544 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.288 -5.739 -11.603 1.00 0.00 O ATOM 0 H GLU A 56 -0.277 -5.366 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.759 -5.374 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.257 -4.743 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.148 -6.443 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.065 -6.204 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.224 -4.513 -9.461 1.00 0.00 H new ATOM 858 N GLU A 57 -1.771 -8.269 -6.228 1.00 0.00 N ATOM 859 CA GLU A 57 -2.109 -9.694 -6.161 1.00 0.00 C ATOM 860 C GLU A 57 -3.582 -9.964 -5.832 1.00 0.00 C ATOM 861 O GLU A 57 -4.014 -11.112 -5.952 1.00 0.00 O ATOM 862 CB GLU A 57 -1.263 -10.442 -5.108 1.00 0.00 C ATOM 863 CG GLU A 57 0.246 -10.253 -5.261 1.00 0.00 C ATOM 864 CD GLU A 57 1.100 -11.302 -4.557 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.705 -11.822 -3.493 1.00 0.00 O ATOM 866 OE2 GLU A 57 2.234 -11.546 -5.034 1.00 0.00 O ATOM 0 H GLU A 57 -1.098 -7.979 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.894 -10.061 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.560 -10.105 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.491 -11.506 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.492 -10.258 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.515 -9.269 -4.876 1.00 0.00 H new ATOM 873 N GLU A 58 -4.363 -8.966 -5.411 1.00 0.00 N ATOM 874 CA GLU A 58 -5.770 -9.163 -5.066 1.00 0.00 C ATOM 875 C GLU A 58 -6.764 -8.367 -5.916 1.00 0.00 C ATOM 876 O GLU A 58 -7.954 -8.388 -5.605 1.00 0.00 O ATOM 877 CB GLU A 58 -5.942 -9.016 -3.552 1.00 0.00 C ATOM 878 CG GLU A 58 -6.029 -7.577 -3.046 1.00 0.00 C ATOM 879 CD GLU A 58 -6.216 -7.620 -1.537 1.00 0.00 C ATOM 880 OE1 GLU A 58 -7.282 -8.105 -1.076 1.00 0.00 O ATOM 881 OE2 GLU A 58 -5.257 -7.256 -0.825 1.00 0.00 O ATOM 0 H GLU A 58 -4.039 -8.005 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.043 -10.183 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.846 -9.546 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.105 -9.509 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.123 -7.028 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.862 -7.057 -3.519 1.00 0.00 H new ATOM 888 N GLY A 59 -6.302 -7.656 -6.949 1.00 0.00 N ATOM 889 CA GLY A 59 -7.182 -6.897 -7.833 1.00 0.00 C ATOM 890 C GLY A 59 -7.430 -5.440 -7.455 1.00 0.00 C ATOM 891 O GLY A 59 -8.324 -4.815 -8.032 1.00 0.00 O ATOM 0 H GLY A 59 -5.313 -7.592 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.761 -6.922 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.144 -7.407 -7.877 1.00 0.00 H new ATOM 895 N TYR A 60 -6.729 -4.887 -6.466 1.00 0.00 N ATOM 896 CA TYR A 60 -6.892 -3.482 -6.082 1.00 0.00 C ATOM 897 C TYR A 60 -6.213 -2.605 -7.158 1.00 0.00 C ATOM 898 O TYR A 60 -5.708 -3.127 -8.154 1.00 0.00 O ATOM 899 CB TYR A 60 -6.317 -3.261 -4.674 1.00 0.00 C ATOM 900 CG TYR A 60 -7.128 -3.785 -3.495 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.291 -4.574 -3.646 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.705 -3.429 -2.203 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.037 -4.962 -2.519 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.449 -3.807 -1.076 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.631 -4.554 -1.227 1.00 0.00 C ATOM 906 OH TYR A 60 -9.388 -4.846 -0.131 1.00 0.00 O ATOM 0 H TYR A 60 -6.038 -5.393 -5.912 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.944 -3.201 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.331 -3.724 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.172 -2.190 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.608 -4.880 -4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.797 -2.858 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.920 -5.572 -2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.113 -3.524 -0.089 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.735 -4.016 0.257 1.00 0.00 H new ATOM 916 N LYS A 61 -6.307 -1.276 -7.058 1.00 0.00 N ATOM 917 CA LYS A 61 -5.685 -0.328 -7.989 1.00 0.00 C ATOM 918 C LYS A 61 -4.468 0.210 -7.249 1.00 0.00 C ATOM 919 O LYS A 61 -4.644 0.706 -6.128 1.00 0.00 O ATOM 920 CB LYS A 61 -6.664 0.804 -8.334 1.00 0.00 C ATOM 921 CG LYS A 61 -6.171 1.727 -9.456 1.00 0.00 C ATOM 922 CD LYS A 61 -7.095 2.946 -9.613 1.00 0.00 C ATOM 923 CE LYS A 61 -8.533 2.529 -9.948 1.00 0.00 C ATOM 924 NZ LYS A 61 -9.423 3.692 -10.117 1.00 0.00 N ATOM 0 H LYS A 61 -6.829 -0.818 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.409 -0.796 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.619 0.369 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.846 1.400 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.157 2.061 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.130 1.174 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.090 3.527 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.711 3.594 -10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.534 1.936 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.919 1.890 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.384 3.364 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.443 4.245 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.071 4.289 -10.892 1.00 0.00 H new ATOM 938 N ALA A 62 -3.268 0.097 -7.827 1.00 0.00 N ATOM 939 CA ALA A 62 -2.019 0.558 -7.225 1.00 0.00 C ATOM 940 C ALA A 62 -1.370 1.618 -8.107 1.00 0.00 C ATOM 941 O ALA A 62 -0.974 1.317 -9.241 1.00 0.00 O ATOM 942 CB ALA A 62 -1.072 -0.635 -7.062 1.00 0.00 C ATOM 0 H ALA A 62 -3.138 -0.327 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.228 0.998 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.137 -0.299 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.536 -1.382 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.868 -1.074 -8.039 1.00 0.00 H new ATOM 948 N GLU A 63 -1.170 2.824 -7.570 1.00 0.00 N ATOM 949 CA GLU A 63 -0.575 3.941 -8.293 1.00 0.00 C ATOM 950 C GLU A 63 0.461 4.662 -7.432 1.00 0.00 C ATOM 951 O GLU A 63 0.119 5.364 -6.477 1.00 0.00 O ATOM 952 CB GLU A 63 -1.662 4.885 -8.821 1.00 0.00 C ATOM 953 CG GLU A 63 -2.528 4.198 -9.886 1.00 0.00 C ATOM 954 CD GLU A 63 -3.453 5.201 -10.558 1.00 0.00 C ATOM 955 OE1 GLU A 63 -4.494 5.566 -9.968 1.00 0.00 O ATOM 956 OE2 GLU A 63 -3.114 5.669 -11.671 1.00 0.00 O ATOM 0 H GLU A 63 -1.421 3.051 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.042 3.551 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.292 5.216 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.199 5.776 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.889 3.728 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.117 3.404 -9.426 1.00 0.00 H new ATOM 963 N VAL A 64 1.744 4.483 -7.743 1.00 0.00 N ATOM 964 CA VAL A 64 2.833 5.128 -7.008 1.00 0.00 C ATOM 965 C VAL A 64 2.820 6.645 -7.263 1.00 0.00 C ATOM 966 O VAL A 64 2.272 7.108 -8.270 1.00 0.00 O ATOM 967 CB VAL A 64 4.182 4.481 -7.379 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.176 2.974 -7.102 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.597 4.691 -8.845 1.00 0.00 C ATOM 0 H VAL A 64 2.058 3.888 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 64 2.689 4.980 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 64 4.908 4.990 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.142 2.550 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.990 2.800 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.392 2.499 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.556 4.206 -9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.843 4.258 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.687 5.758 -9.048 1.00 0.00 H new ATOM 979 N LEU A 65 3.389 7.444 -6.356 1.00 0.00 N ATOM 980 CA LEU A 65 3.449 8.899 -6.489 1.00 0.00 C ATOM 981 C LEU A 65 4.538 9.235 -7.512 1.00 0.00 C ATOM 982 O LEU A 65 5.717 9.319 -7.152 1.00 0.00 O ATOM 983 CB LEU A 65 3.701 9.540 -5.109 1.00 0.00 C ATOM 984 CG LEU A 65 3.350 11.034 -4.959 1.00 0.00 C ATOM 985 CD1 LEU A 65 3.947 11.933 -6.040 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.831 11.240 -4.901 1.00 0.00 C ATOM 0 H LEU A 65 3.824 7.094 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 65 2.505 9.307 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.131 8.981 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.755 9.413 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 65 3.807 11.336 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.651 12.966 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.034 11.858 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.583 11.617 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.612 12.302 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.378 10.866 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.423 10.698 -4.048 1.00 0.00 H new ATOM 998 N ALA A 66 4.155 9.338 -8.782 1.00 0.00 N ATOM 999 CA ALA A 66 5.037 9.658 -9.895 1.00 0.00 C ATOM 1000 C ALA A 66 5.081 11.177 -10.098 1.00 0.00 C ATOM 1001 O ALA A 66 5.250 11.595 -11.264 1.00 0.00 O ATOM 1002 CB ALA A 66 4.509 8.919 -11.136 1.00 0.00 C ATOM 0 H ALA A 66 3.188 9.195 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 66 6.060 9.335 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.150 9.138 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.510 7.845 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.493 9.249 -11.351 1.00 0.00 H new TER 1008 ALA A 66