USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -168:sc= -0.104 (180deg=-0.633) USER MOD Set 1.2: A 60 MET CE :methyl 177:sc= -0.41 (180deg=-0.565) USER MOD Set 2.1: A 35 CYS SG : rot 28:sc= -1.78 USER MOD Set 2.2: A 69 SER OG : rot -88:sc= 1.23 USER MOD Set 2.3: A 71 THR OG1 : rot -53:sc= 0.471 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.368 (180deg=-1.55!) USER MOD Single : A 2 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= 0.631 (180deg=0.0418) USER MOD Single : A 11 GLN : amide:sc= -0.792 K(o=-0.79,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 16 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.572 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.234 (180deg=-0.616) USER MOD Single : A 50 GLN : amide:sc= -0.0433 K(o=-0.043,f=-0.89) USER MOD Single : A 51 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.524 USER MOD Single : A 58 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.6) USER MOD Single : A 80 MET CE :methyl -120:sc= -4.6! (180deg=-11.5!) USER MOD Single : A 81 MET CE :methyl 154:sc= -0.703 (180deg=-2.67!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -105:sc=-0.00306 (180deg=-0.133) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 40:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.469 6.243 10.585 1.00 0.00 N ATOM 2 CA MET A 1 -7.017 7.534 10.064 1.00 0.00 C ATOM 3 C MET A 1 -6.343 7.884 8.730 1.00 0.00 C ATOM 4 O MET A 1 -5.736 8.948 8.580 1.00 0.00 O ATOM 5 CB MET A 1 -6.780 8.656 11.092 1.00 0.00 C ATOM 6 CG MET A 1 -5.298 8.720 11.485 1.00 0.00 C ATOM 7 SD MET A 1 -5.146 9.388 13.161 1.00 0.00 S ATOM 8 CE MET A 1 -5.175 7.808 14.044 1.00 0.00 C ATOM 0 H1 MET A 1 -6.358 6.304 11.617 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.124 5.469 10.352 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.544 6.057 10.148 1.00 0.00 H new ATOM 0 HA MET A 1 -8.089 7.429 9.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.093 9.613 10.674 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.390 8.480 11.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.855 7.725 11.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.751 9.347 10.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.092 7.989 15.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.112 7.291 13.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.339 7.191 13.714 1.00 0.00 H new ATOM 20 N ASN A 2 -6.460 6.970 7.762 1.00 0.00 N ATOM 21 CA ASN A 2 -5.864 7.179 6.441 1.00 0.00 C ATOM 22 C ASN A 2 -6.957 7.259 5.374 1.00 0.00 C ATOM 23 O ASN A 2 -7.373 6.244 4.810 1.00 0.00 O ATOM 24 CB ASN A 2 -4.899 6.036 6.101 1.00 0.00 C ATOM 25 CG ASN A 2 -3.727 6.043 7.081 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.654 5.199 7.974 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.798 6.956 6.970 1.00 0.00 N ATOM 0 H ASN A 2 -6.958 6.086 7.867 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.311 8.118 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.421 5.080 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.533 6.148 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.014 6.968 7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.857 7.656 6.231 1.00 0.00 H new ATOM 34 N ASP A 3 -7.425 8.482 5.116 1.00 0.00 N ATOM 35 CA ASP A 3 -8.482 8.703 4.123 1.00 0.00 C ATOM 36 C ASP A 3 -7.949 9.390 2.857 1.00 0.00 C ATOM 37 O ASP A 3 -8.642 9.435 1.840 1.00 0.00 O ATOM 38 CB ASP A 3 -9.597 9.565 4.724 1.00 0.00 C ATOM 39 CG ASP A 3 -10.456 8.716 5.656 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.098 8.594 6.817 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.461 8.196 5.196 1.00 0.00 O ATOM 0 H ASP A 3 -7.093 9.330 5.576 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.869 7.723 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.167 10.403 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.213 9.987 3.929 1.00 0.00 H new ATOM 46 N ILE A 4 -6.726 9.932 2.925 1.00 0.00 N ATOM 47 CA ILE A 4 -6.130 10.623 1.769 1.00 0.00 C ATOM 48 C ILE A 4 -5.872 9.662 0.603 1.00 0.00 C ATOM 49 O ILE A 4 -5.972 10.050 -0.563 1.00 0.00 O ATOM 50 CB ILE A 4 -4.811 11.314 2.155 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.826 10.292 2.744 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.089 12.405 3.194 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.839 9.847 1.661 1.00 0.00 C ATOM 0 H ILE A 4 -6.135 9.908 3.756 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.852 11.375 1.449 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.372 11.757 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.287 10.733 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.369 9.430 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.154 12.894 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.775 13.141 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.537 11.957 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.141 9.122 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.386 9.389 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.287 10.712 1.294 1.00 0.00 H new ATOM 65 N TYR A 5 -5.544 8.408 0.927 1.00 0.00 N ATOM 66 CA TYR A 5 -5.276 7.399 -0.106 1.00 0.00 C ATOM 67 C TYR A 5 -6.539 7.122 -0.922 1.00 0.00 C ATOM 68 O TYR A 5 -6.480 6.922 -2.137 1.00 0.00 O ATOM 69 CB TYR A 5 -4.796 6.082 0.522 1.00 0.00 C ATOM 70 CG TYR A 5 -3.538 6.327 1.323 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.288 6.331 0.691 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.623 6.556 2.702 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.130 6.563 1.436 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.464 6.789 3.446 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.217 6.793 2.814 1.00 0.00 C ATOM 76 OH TYR A 5 -0.074 7.026 3.551 1.00 0.00 O ATOM 0 H TYR A 5 -5.458 8.068 1.885 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.495 7.794 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.574 5.670 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.604 5.345 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.220 6.155 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.586 6.552 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.166 6.565 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.531 6.966 4.509 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.314 7.167 4.491 1.00 0.00 H new ATOM 86 N LYS A 6 -7.684 7.122 -0.232 1.00 0.00 N ATOM 87 CA LYS A 6 -8.973 6.876 -0.885 1.00 0.00 C ATOM 88 C LYS A 6 -9.558 8.174 -1.457 1.00 0.00 C ATOM 89 O LYS A 6 -10.367 8.141 -2.386 1.00 0.00 O ATOM 90 CB LYS A 6 -9.972 6.279 0.114 1.00 0.00 C ATOM 91 CG LYS A 6 -9.521 4.870 0.518 1.00 0.00 C ATOM 92 CD LYS A 6 -8.816 4.923 1.877 1.00 0.00 C ATOM 93 CE LYS A 6 -8.304 3.527 2.243 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.292 3.636 3.334 1.00 0.00 N ATOM 0 H LYS A 6 -7.745 7.289 0.772 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.801 6.173 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.043 6.915 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.966 6.239 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.382 4.203 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.847 4.463 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.986 5.628 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.505 5.281 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.133 2.897 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.861 3.050 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.460 2.891 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.338 3.526 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.371 4.568 3.789 1.00 0.00 H new ATOM 108 N ALA A 7 -9.144 9.315 -0.891 1.00 0.00 N ATOM 109 CA ALA A 7 -9.633 10.618 -1.349 1.00 0.00 C ATOM 110 C ALA A 7 -9.118 10.948 -2.752 1.00 0.00 C ATOM 111 O ALA A 7 -9.791 11.638 -3.515 1.00 0.00 O ATOM 112 CB ALA A 7 -9.185 11.725 -0.392 1.00 0.00 C ATOM 0 H ALA A 7 -8.477 9.361 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.721 10.562 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.557 12.686 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.582 11.528 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.096 11.751 -0.350 1.00 0.00 H new ATOM 118 N ALA A 8 -7.919 10.460 -3.081 1.00 0.00 N ATOM 119 CA ALA A 8 -7.330 10.727 -4.394 1.00 0.00 C ATOM 120 C ALA A 8 -7.904 9.802 -5.465 1.00 0.00 C ATOM 121 O ALA A 8 -8.229 10.248 -6.567 1.00 0.00 O ATOM 122 CB ALA A 8 -5.813 10.545 -4.346 1.00 0.00 C ATOM 0 H ALA A 8 -7.344 9.885 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.573 11.758 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.391 10.747 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.386 11.236 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.578 9.521 -4.054 1.00 0.00 H new ATOM 128 N VAL A 9 -8.021 8.510 -5.140 1.00 0.00 N ATOM 129 CA VAL A 9 -8.555 7.536 -6.098 1.00 0.00 C ATOM 130 C VAL A 9 -10.035 7.812 -6.410 1.00 0.00 C ATOM 131 O VAL A 9 -10.528 7.447 -7.480 1.00 0.00 O ATOM 132 CB VAL A 9 -8.387 6.103 -5.563 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.359 5.851 -4.406 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.661 5.098 -6.688 1.00 0.00 C ATOM 0 H VAL A 9 -7.758 8.119 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.988 7.638 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.366 5.980 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.229 4.834 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.157 6.557 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.383 5.982 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.541 4.084 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.679 5.230 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.958 5.264 -7.504 1.00 0.00 H new ATOM 144 N GLU A 10 -10.737 8.462 -5.476 1.00 0.00 N ATOM 145 CA GLU A 10 -12.148 8.782 -5.685 1.00 0.00 C ATOM 146 C GLU A 10 -12.320 10.056 -6.529 1.00 0.00 C ATOM 147 O GLU A 10 -13.397 10.298 -7.076 1.00 0.00 O ATOM 148 CB GLU A 10 -12.870 8.954 -4.342 1.00 0.00 C ATOM 149 CG GLU A 10 -12.408 10.240 -3.650 1.00 0.00 C ATOM 150 CD GLU A 10 -13.289 10.511 -2.434 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.971 10.002 -1.371 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.268 11.222 -2.583 1.00 0.00 O ATOM 0 H GLU A 10 -10.356 8.772 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.591 7.947 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.948 8.986 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.669 8.096 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.366 10.146 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.461 11.078 -4.345 1.00 0.00 H new ATOM 159 N GLN A 11 -11.255 10.871 -6.628 1.00 0.00 N ATOM 160 CA GLN A 11 -11.331 12.113 -7.409 1.00 0.00 C ATOM 161 C GLN A 11 -10.147 12.241 -8.382 1.00 0.00 C ATOM 162 O GLN A 11 -9.727 13.351 -8.725 1.00 0.00 O ATOM 163 CB GLN A 11 -11.365 13.333 -6.473 1.00 0.00 C ATOM 164 CG GLN A 11 -10.005 13.511 -5.782 1.00 0.00 C ATOM 165 CD GLN A 11 -10.176 14.306 -4.485 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.253 14.316 -3.885 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.162 14.976 -4.007 1.00 0.00 N ATOM 0 H GLN A 11 -10.352 10.696 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.251 12.077 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.612 14.230 -7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.147 13.204 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.568 12.536 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.315 14.029 -6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.269 14.971 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.263 15.505 -3.141 1.00 0.00 H new ATOM 176 N LEU A 12 -9.619 11.098 -8.832 1.00 0.00 N ATOM 177 CA LEU A 12 -8.487 11.102 -9.771 1.00 0.00 C ATOM 178 C LEU A 12 -8.948 11.478 -11.184 1.00 0.00 C ATOM 179 O LEU A 12 -10.133 11.715 -11.428 1.00 0.00 O ATOM 180 CB LEU A 12 -7.791 9.731 -9.817 1.00 0.00 C ATOM 181 CG LEU A 12 -8.690 8.507 -9.603 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.854 8.532 -10.599 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.870 7.233 -9.808 1.00 0.00 C ATOM 0 H LEU A 12 -9.950 10.170 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.777 11.847 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.298 9.629 -10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.009 9.718 -9.058 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.088 8.528 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.488 7.659 -10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.441 9.438 -10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.463 8.516 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.507 6.362 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.469 7.217 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.048 7.210 -9.092 1.00 0.00 H new ATOM 195 N THR A 13 -7.986 11.530 -12.112 1.00 0.00 N ATOM 196 CA THR A 13 -8.283 11.880 -13.505 1.00 0.00 C ATOM 197 C THR A 13 -8.414 10.624 -14.367 1.00 0.00 C ATOM 198 O THR A 13 -8.067 9.519 -13.943 1.00 0.00 O ATOM 199 CB THR A 13 -7.170 12.764 -14.097 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.978 12.627 -13.330 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.615 14.227 -14.095 1.00 0.00 C ATOM 0 H THR A 13 -7.002 11.336 -11.926 1.00 0.00 H new ATOM 0 HA THR A 13 -9.226 12.426 -13.507 1.00 0.00 H new ATOM 0 HB THR A 13 -6.974 12.447 -15.121 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.275 13.191 -13.714 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.824 14.848 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.518 14.333 -14.696 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.821 14.543 -13.072 1.00 0.00 H new ATOM 209 N ASP A 14 -8.899 10.820 -15.596 1.00 0.00 N ATOM 210 CA ASP A 14 -9.057 9.710 -16.539 1.00 0.00 C ATOM 211 C ASP A 14 -7.685 9.245 -17.029 1.00 0.00 C ATOM 212 O ASP A 14 -7.485 8.065 -17.323 1.00 0.00 O ATOM 213 CB ASP A 14 -9.898 10.140 -17.744 1.00 0.00 C ATOM 214 CG ASP A 14 -11.363 10.259 -17.332 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.037 9.242 -17.310 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.789 11.366 -17.045 1.00 0.00 O ATOM 0 H ASP A 14 -9.187 11.729 -15.959 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.563 8.894 -16.024 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.539 11.095 -18.128 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.795 9.413 -18.550 1.00 0.00 H new ATOM 221 N GLU A 15 -6.742 10.194 -17.099 1.00 0.00 N ATOM 222 CA GLU A 15 -5.377 9.892 -17.537 1.00 0.00 C ATOM 223 C GLU A 15 -4.751 8.810 -16.648 1.00 0.00 C ATOM 224 O GLU A 15 -4.015 7.952 -17.132 1.00 0.00 O ATOM 225 CB GLU A 15 -4.510 11.161 -17.499 1.00 0.00 C ATOM 226 CG GLU A 15 -4.244 11.578 -16.047 1.00 0.00 C ATOM 227 CD GLU A 15 -3.732 13.015 -16.008 1.00 0.00 C ATOM 228 OE1 GLU A 15 -4.554 13.914 -15.940 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.526 13.195 -16.043 1.00 0.00 O ATOM 0 H GLU A 15 -6.900 11.173 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.423 9.522 -18.561 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.565 10.980 -18.012 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.012 11.969 -18.031 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.159 11.492 -15.461 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.512 10.909 -15.595 1.00 0.00 H new ATOM 236 N GLN A 16 -5.068 8.855 -15.345 1.00 0.00 N ATOM 237 CA GLN A 16 -4.546 7.865 -14.400 1.00 0.00 C ATOM 238 C GLN A 16 -5.214 6.510 -14.635 1.00 0.00 C ATOM 239 O GLN A 16 -4.566 5.463 -14.564 1.00 0.00 O ATOM 240 CB GLN A 16 -4.809 8.308 -12.959 1.00 0.00 C ATOM 241 CG GLN A 16 -3.737 9.311 -12.524 1.00 0.00 C ATOM 242 CD GLN A 16 -4.221 10.080 -11.298 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.212 11.311 -11.289 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.648 9.425 -10.252 1.00 0.00 N ATOM 0 H GLN A 16 -5.677 9.559 -14.928 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.471 7.777 -14.559 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.797 8.761 -12.882 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.802 7.443 -12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.808 8.789 -12.295 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.521 10.003 -13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.656 8.405 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.973 9.933 -9.430 1.00 0.00 H new ATOM 253 N LYS A 17 -6.521 6.548 -14.929 1.00 0.00 N ATOM 254 CA LYS A 17 -7.286 5.324 -15.192 1.00 0.00 C ATOM 255 C LYS A 17 -6.784 4.618 -16.458 1.00 0.00 C ATOM 256 O LYS A 17 -7.056 3.436 -16.661 1.00 0.00 O ATOM 257 CB LYS A 17 -8.777 5.642 -15.365 1.00 0.00 C ATOM 258 CG LYS A 17 -9.358 6.178 -14.051 1.00 0.00 C ATOM 259 CD LYS A 17 -9.129 5.162 -12.931 1.00 0.00 C ATOM 260 CE LYS A 17 -10.193 5.337 -11.846 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.772 4.008 -11.492 1.00 0.00 N ATOM 0 H LYS A 17 -7.067 7.408 -14.990 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.147 4.667 -14.334 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.910 6.378 -16.158 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.315 4.745 -15.670 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.887 7.127 -13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.424 6.372 -14.166 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.169 4.149 -13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.135 5.296 -12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.753 5.800 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.979 6.005 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.495 4.130 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.206 3.583 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.019 3.384 -11.139 1.00 0.00 H new ATOM 275 N ASN A 18 -6.054 5.351 -17.307 1.00 0.00 N ATOM 276 CA ASN A 18 -5.524 4.779 -18.546 1.00 0.00 C ATOM 277 C ASN A 18 -4.014 4.531 -18.438 1.00 0.00 C ATOM 278 O ASN A 18 -3.480 3.627 -19.084 1.00 0.00 O ATOM 279 CB ASN A 18 -5.796 5.723 -19.722 1.00 0.00 C ATOM 280 CG ASN A 18 -7.160 5.403 -20.327 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.302 4.436 -21.075 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.182 6.165 -20.045 1.00 0.00 N ATOM 0 H ASN A 18 -5.819 6.333 -17.159 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.026 3.826 -18.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.770 6.759 -19.384 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.017 5.615 -20.477 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.098 5.959 -20.445 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.065 6.967 -19.425 1.00 0.00 H new ATOM 289 N GLU A 19 -3.333 5.344 -17.619 1.00 0.00 N ATOM 290 CA GLU A 19 -1.885 5.209 -17.430 1.00 0.00 C ATOM 291 C GLU A 19 -1.533 3.812 -16.924 1.00 0.00 C ATOM 292 O GLU A 19 -0.721 3.106 -17.524 1.00 0.00 O ATOM 293 CB GLU A 19 -1.377 6.249 -16.420 1.00 0.00 C ATOM 294 CG GLU A 19 0.147 6.359 -16.513 1.00 0.00 C ATOM 295 CD GLU A 19 0.523 7.371 -17.594 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.589 6.979 -18.748 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.739 8.522 -17.252 1.00 0.00 O ATOM 0 H GLU A 19 -3.760 6.098 -17.080 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.407 5.373 -18.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.834 7.218 -16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.669 5.962 -15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.559 6.668 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.578 5.386 -16.746 1.00 0.00 H new ATOM 304 N PHE A 20 -2.155 3.424 -15.809 1.00 0.00 N ATOM 305 CA PHE A 20 -1.907 2.110 -15.217 1.00 0.00 C ATOM 306 C PHE A 20 -2.656 1.014 -15.975 1.00 0.00 C ATOM 307 O PHE A 20 -2.136 -0.084 -16.157 1.00 0.00 O ATOM 308 CB PHE A 20 -2.365 2.079 -13.759 1.00 0.00 C ATOM 309 CG PHE A 20 -1.334 2.733 -12.869 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.255 1.987 -12.377 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.468 4.081 -12.522 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.687 2.590 -11.537 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.527 4.684 -11.681 1.00 0.00 C ATOM 314 CZ PHE A 20 0.550 3.938 -11.187 1.00 0.00 C ATOM 0 H PHE A 20 -2.829 3.997 -15.302 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.834 1.930 -15.276 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.320 2.595 -13.660 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.526 1.048 -13.443 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.151 0.946 -12.646 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.298 4.657 -12.903 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.520 2.016 -11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.631 5.725 -11.413 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.275 4.403 -10.536 1.00 0.00 H new ATOM 324 N LYS A 21 -3.892 1.317 -16.397 1.00 0.00 N ATOM 325 CA LYS A 21 -4.715 0.337 -17.116 1.00 0.00 C ATOM 326 C LYS A 21 -4.010 -0.182 -18.373 1.00 0.00 C ATOM 327 O LYS A 21 -4.202 -1.332 -18.764 1.00 0.00 O ATOM 328 CB LYS A 21 -6.063 0.953 -17.503 1.00 0.00 C ATOM 329 CG LYS A 21 -6.936 -0.087 -18.217 1.00 0.00 C ATOM 330 CD LYS A 21 -6.947 0.195 -19.722 1.00 0.00 C ATOM 331 CE LYS A 21 -8.162 1.058 -20.074 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.281 1.172 -21.555 1.00 0.00 N ATOM 0 H LYS A 21 -4.339 2.223 -16.255 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.877 -0.505 -16.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.574 1.317 -16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.905 1.813 -18.153 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.552 -1.090 -18.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.952 -0.055 -17.824 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.029 0.705 -20.013 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.981 -0.742 -20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.068 0.616 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.059 2.048 -19.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.106 1.758 -21.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.421 1.613 -21.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.399 0.225 -21.968 1.00 0.00 H new ATOM 346 N ALA A 22 -3.190 0.669 -19.000 1.00 0.00 N ATOM 347 CA ALA A 22 -2.462 0.265 -20.207 1.00 0.00 C ATOM 348 C ALA A 22 -1.565 -0.935 -19.904 1.00 0.00 C ATOM 349 O ALA A 22 -1.677 -1.986 -20.539 1.00 0.00 O ATOM 350 CB ALA A 22 -1.606 1.421 -20.731 1.00 0.00 C ATOM 0 H ALA A 22 -3.016 1.627 -18.697 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.191 -0.011 -20.969 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.073 1.102 -21.627 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.248 2.268 -20.973 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.887 1.717 -19.967 1.00 0.00 H new ATOM 356 N ALA A 23 -0.694 -0.770 -18.905 1.00 0.00 N ATOM 357 CA ALA A 23 0.203 -1.845 -18.488 1.00 0.00 C ATOM 358 C ALA A 23 -0.610 -2.969 -17.848 1.00 0.00 C ATOM 359 O ALA A 23 -0.324 -4.150 -18.036 1.00 0.00 O ATOM 360 CB ALA A 23 1.228 -1.328 -17.473 1.00 0.00 C ATOM 0 H ALA A 23 -0.593 0.095 -18.373 1.00 0.00 H new ATOM 0 HA ALA A 23 0.730 -2.218 -19.366 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.887 -2.143 -17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.818 -0.531 -17.926 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.709 -0.941 -16.596 1.00 0.00 H new ATOM 366 N PHE A 24 -1.639 -2.575 -17.095 1.00 0.00 N ATOM 367 CA PHE A 24 -2.514 -3.534 -16.427 1.00 0.00 C ATOM 368 C PHE A 24 -3.129 -4.507 -17.435 1.00 0.00 C ATOM 369 O PHE A 24 -3.146 -5.712 -17.206 1.00 0.00 O ATOM 370 CB PHE A 24 -3.646 -2.794 -15.698 1.00 0.00 C ATOM 371 CG PHE A 24 -4.305 -3.710 -14.691 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.218 -4.682 -15.116 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.003 -3.582 -13.330 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.826 -5.526 -14.183 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.612 -4.427 -12.398 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.524 -5.397 -12.823 1.00 0.00 C ATOM 0 H PHE A 24 -1.885 -1.598 -16.934 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.913 -4.094 -15.711 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.249 -1.913 -15.194 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.384 -2.443 -16.419 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.453 -4.780 -16.166 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.300 -2.831 -13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.529 -6.277 -14.512 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.378 -4.330 -11.348 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.996 -6.047 -12.101 1.00 0.00 H new ATOM 386 N ASP A 25 -3.646 -3.964 -18.544 1.00 0.00 N ATOM 387 CA ASP A 25 -4.289 -4.790 -19.574 1.00 0.00 C ATOM 388 C ASP A 25 -3.322 -5.794 -20.210 1.00 0.00 C ATOM 389 O ASP A 25 -3.674 -6.959 -20.408 1.00 0.00 O ATOM 390 CB ASP A 25 -4.878 -3.906 -20.678 1.00 0.00 C ATOM 391 CG ASP A 25 -6.220 -4.478 -21.129 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.215 -5.333 -21.999 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.232 -4.054 -20.595 1.00 0.00 O ATOM 0 H ASP A 25 -3.632 -2.965 -18.751 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.079 -5.349 -19.073 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.010 -2.888 -20.312 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.191 -3.854 -21.522 1.00 0.00 H new ATOM 398 N ILE A 26 -2.113 -5.336 -20.544 1.00 0.00 N ATOM 399 CA ILE A 26 -1.121 -6.217 -21.180 1.00 0.00 C ATOM 400 C ILE A 26 -0.612 -7.284 -20.205 1.00 0.00 C ATOM 401 O ILE A 26 -0.391 -8.432 -20.595 1.00 0.00 O ATOM 402 CB ILE A 26 0.071 -5.416 -21.734 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.674 -4.533 -20.632 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.408 -4.534 -22.892 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.948 -3.853 -21.139 1.00 0.00 C ATOM 0 H ILE A 26 -1.798 -4.378 -20.390 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.627 -6.712 -22.009 1.00 0.00 H new ATOM 0 HB ILE A 26 0.834 -6.109 -22.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.050 -3.780 -20.322 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.900 -5.138 -19.754 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.433 -3.965 -23.288 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.824 -5.162 -23.680 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.174 -3.847 -22.533 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.367 -3.229 -20.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.676 -4.612 -21.426 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.710 -3.233 -22.003 1.00 0.00 H new ATOM 417 N PHE A 27 -0.425 -6.898 -18.938 1.00 0.00 N ATOM 418 CA PHE A 27 0.064 -7.842 -17.927 1.00 0.00 C ATOM 419 C PHE A 27 -1.024 -8.845 -17.526 1.00 0.00 C ATOM 420 O PHE A 27 -0.723 -10.001 -17.225 1.00 0.00 O ATOM 421 CB PHE A 27 0.574 -7.097 -16.688 1.00 0.00 C ATOM 422 CG PHE A 27 1.862 -6.382 -17.040 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.909 -7.083 -17.653 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.004 -5.018 -16.767 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.092 -6.420 -17.994 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.188 -4.356 -17.107 1.00 0.00 C ATOM 427 CZ PHE A 27 4.232 -5.055 -17.720 1.00 0.00 C ATOM 0 H PHE A 27 -0.601 -5.955 -18.592 1.00 0.00 H new ATOM 0 HA PHE A 27 0.892 -8.396 -18.370 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.173 -6.381 -16.345 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.743 -7.798 -15.870 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.802 -8.137 -17.862 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.199 -4.476 -16.293 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.897 -6.961 -18.469 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.296 -3.302 -16.896 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.146 -4.542 -17.982 1.00 0.00 H new ATOM 437 N ILE A 28 -2.292 -8.409 -17.547 1.00 0.00 N ATOM 438 CA ILE A 28 -3.402 -9.313 -17.203 1.00 0.00 C ATOM 439 C ILE A 28 -4.023 -9.927 -18.470 1.00 0.00 C ATOM 440 O ILE A 28 -5.084 -10.551 -18.408 1.00 0.00 O ATOM 441 CB ILE A 28 -4.504 -8.588 -16.408 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.197 -7.541 -17.292 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.896 -7.902 -15.182 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.497 -8.120 -17.853 1.00 0.00 C ATOM 0 H ILE A 28 -2.572 -7.459 -17.792 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.982 -10.103 -16.580 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.241 -9.323 -16.084 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.408 -6.643 -16.711 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.537 -7.245 -18.108 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.681 -7.391 -14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.425 -8.649 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.149 -7.177 -15.504 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.987 -7.375 -18.480 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.274 -9.005 -18.449 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.158 -8.393 -17.031 1.00 0.00 H new ATOM 456 N GLN A 29 -3.349 -9.745 -19.617 1.00 0.00 N ATOM 457 CA GLN A 29 -3.832 -10.279 -20.896 1.00 0.00 C ATOM 458 C GLN A 29 -4.223 -11.756 -20.771 1.00 0.00 C ATOM 459 O GLN A 29 -5.223 -12.194 -21.343 1.00 0.00 O ATOM 460 CB GLN A 29 -2.741 -10.137 -21.963 1.00 0.00 C ATOM 461 CG GLN A 29 -3.205 -10.769 -23.277 1.00 0.00 C ATOM 462 CD GLN A 29 -2.184 -10.476 -24.371 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.480 -11.377 -24.829 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.056 -9.255 -24.819 1.00 0.00 N ATOM 0 H GLN A 29 -2.469 -9.233 -19.683 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.715 -9.709 -21.185 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.509 -9.083 -22.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.824 -10.618 -21.623 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.323 -11.846 -23.153 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.180 -10.372 -23.559 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.639 -8.509 -24.440 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.373 -9.048 -25.548 1.00 0.00 H new ATOM 473 N ASP A 30 -3.420 -12.514 -20.022 1.00 0.00 N ATOM 474 CA ASP A 30 -3.683 -13.944 -19.829 1.00 0.00 C ATOM 475 C ASP A 30 -4.076 -14.247 -18.375 1.00 0.00 C ATOM 476 O ASP A 30 -3.892 -15.366 -17.892 1.00 0.00 O ATOM 477 CB ASP A 30 -2.442 -14.761 -20.205 1.00 0.00 C ATOM 478 CG ASP A 30 -2.251 -14.732 -21.720 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.612 -13.809 -22.201 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.748 -15.632 -22.377 1.00 0.00 O ATOM 0 H ASP A 30 -2.589 -12.167 -19.543 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.515 -14.222 -20.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.561 -14.353 -19.709 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.553 -15.790 -19.862 1.00 0.00 H new ATOM 485 N ALA A 31 -4.633 -13.241 -17.689 1.00 0.00 N ATOM 486 CA ALA A 31 -5.063 -13.409 -16.301 1.00 0.00 C ATOM 487 C ALA A 31 -6.572 -13.643 -16.242 1.00 0.00 C ATOM 488 O ALA A 31 -7.303 -13.316 -17.180 1.00 0.00 O ATOM 489 CB ALA A 31 -4.716 -12.166 -15.475 1.00 0.00 C ATOM 0 H ALA A 31 -4.794 -12.309 -18.072 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.542 -14.272 -15.887 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.044 -12.310 -14.445 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.638 -12.006 -15.494 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.219 -11.296 -15.898 1.00 0.00 H new ATOM 495 N GLU A 32 -7.031 -14.215 -15.127 1.00 0.00 N ATOM 496 CA GLU A 32 -8.460 -14.492 -14.951 1.00 0.00 C ATOM 497 C GLU A 32 -8.959 -14.020 -13.575 1.00 0.00 C ATOM 498 O GLU A 32 -9.900 -14.589 -13.016 1.00 0.00 O ATOM 499 CB GLU A 32 -8.738 -15.995 -15.110 1.00 0.00 C ATOM 500 CG GLU A 32 -7.907 -16.797 -14.101 1.00 0.00 C ATOM 501 CD GLU A 32 -7.855 -18.260 -14.531 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.773 -18.990 -14.194 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.898 -18.630 -15.193 1.00 0.00 O ATOM 0 H GLU A 32 -6.443 -14.493 -14.341 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.998 -13.939 -15.721 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.799 -16.194 -14.958 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.496 -16.312 -16.125 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.898 -16.389 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.345 -16.715 -13.106 1.00 0.00 H new ATOM 510 N ASP A 33 -8.325 -12.969 -13.038 1.00 0.00 N ATOM 511 CA ASP A 33 -8.724 -12.434 -11.732 1.00 0.00 C ATOM 512 C ASP A 33 -8.597 -10.901 -11.675 1.00 0.00 C ATOM 513 O ASP A 33 -8.631 -10.312 -10.590 1.00 0.00 O ATOM 514 CB ASP A 33 -7.862 -13.053 -10.625 1.00 0.00 C ATOM 515 CG ASP A 33 -8.699 -13.230 -9.360 1.00 0.00 C ATOM 516 OD1 ASP A 33 -9.489 -14.160 -9.321 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.537 -12.434 -8.450 1.00 0.00 O ATOM 0 H ASP A 33 -7.547 -12.480 -13.480 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.772 -12.694 -11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.470 -14.016 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.004 -12.414 -10.418 1.00 0.00 H new ATOM 522 N GLY A 34 -8.465 -10.257 -12.846 1.00 0.00 N ATOM 523 CA GLY A 34 -8.345 -8.796 -12.909 1.00 0.00 C ATOM 524 C GLY A 34 -7.230 -8.284 -11.997 1.00 0.00 C ATOM 525 O GLY A 34 -7.464 -7.441 -11.128 1.00 0.00 O ATOM 0 H GLY A 34 -8.439 -10.722 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.145 -8.491 -13.936 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.291 -8.340 -12.619 1.00 0.00 H new ATOM 529 N CYS A 35 -6.015 -8.802 -12.204 1.00 0.00 N ATOM 530 CA CYS A 35 -4.863 -8.393 -11.394 1.00 0.00 C ATOM 531 C CYS A 35 -3.554 -8.737 -12.105 1.00 0.00 C ATOM 532 O CYS A 35 -3.452 -9.767 -12.777 1.00 0.00 O ATOM 533 CB CYS A 35 -4.887 -9.088 -10.027 1.00 0.00 C ATOM 534 SG CYS A 35 -4.946 -10.885 -10.254 1.00 0.00 S ATOM 0 H CYS A 35 -5.805 -9.499 -12.919 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.925 -7.314 -11.252 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.002 -8.813 -9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.753 -8.756 -9.455 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.386 -11.198 -11.385 1.00 0.00 H new ATOM 540 N ILE A 36 -2.548 -7.872 -11.942 1.00 0.00 N ATOM 541 CA ILE A 36 -1.243 -8.107 -12.570 1.00 0.00 C ATOM 542 C ILE A 36 -0.342 -8.899 -11.619 1.00 0.00 C ATOM 543 O ILE A 36 -0.711 -9.164 -10.475 1.00 0.00 O ATOM 544 CB ILE A 36 -0.550 -6.784 -12.955 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.111 -6.024 -11.695 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.511 -5.910 -13.767 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.399 -6.188 -11.498 1.00 0.00 C ATOM 0 H ILE A 36 -2.609 -7.016 -11.390 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.412 -8.678 -13.483 1.00 0.00 H new ATOM 0 HB ILE A 36 0.330 -7.015 -13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.363 -4.968 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.645 -6.404 -10.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.015 -4.977 -14.036 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.806 -6.439 -14.674 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.397 -5.692 -13.170 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.710 -5.648 -10.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.639 -7.245 -11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.925 -5.787 -12.365 1.00 0.00 H new ATOM 559 N SER A 37 0.840 -9.276 -12.105 1.00 0.00 N ATOM 560 CA SER A 37 1.784 -10.038 -11.289 1.00 0.00 C ATOM 561 C SER A 37 2.746 -9.100 -10.561 1.00 0.00 C ATOM 562 O SER A 37 3.570 -8.433 -11.189 1.00 0.00 O ATOM 563 CB SER A 37 2.591 -11.004 -12.163 1.00 0.00 C ATOM 564 OG SER A 37 3.310 -11.906 -11.331 1.00 0.00 O ATOM 0 H SER A 37 1.164 -9.069 -13.050 1.00 0.00 H new ATOM 0 HA SER A 37 1.210 -10.605 -10.556 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.924 -11.556 -12.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.281 -10.448 -12.797 1.00 0.00 H new ATOM 0 HG SER A 37 3.825 -12.526 -11.889 1.00 0.00 H new ATOM 570 N THR A 38 2.634 -9.061 -9.228 1.00 0.00 N ATOM 571 CA THR A 38 3.510 -8.206 -8.411 1.00 0.00 C ATOM 572 C THR A 38 4.977 -8.515 -8.703 1.00 0.00 C ATOM 573 O THR A 38 5.813 -7.613 -8.771 1.00 0.00 O ATOM 574 CB THR A 38 3.257 -8.425 -6.915 1.00 0.00 C ATOM 575 OG1 THR A 38 3.466 -9.793 -6.590 1.00 0.00 O ATOM 576 CG2 THR A 38 1.823 -8.027 -6.567 1.00 0.00 C ATOM 0 H THR A 38 1.955 -9.604 -8.695 1.00 0.00 H new ATOM 0 HA THR A 38 3.286 -7.171 -8.668 1.00 0.00 H new ATOM 0 HB THR A 38 3.948 -7.808 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.061 -9.858 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.650 -8.185 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.669 -6.975 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.126 -8.637 -7.142 1.00 0.00 H new ATOM 584 N LYS A 39 5.276 -9.806 -8.886 1.00 0.00 N ATOM 585 CA LYS A 39 6.646 -10.238 -9.186 1.00 0.00 C ATOM 586 C LYS A 39 7.135 -9.587 -10.479 1.00 0.00 C ATOM 587 O LYS A 39 8.324 -9.307 -10.637 1.00 0.00 O ATOM 588 CB LYS A 39 6.722 -11.766 -9.341 1.00 0.00 C ATOM 589 CG LYS A 39 6.026 -12.465 -8.162 1.00 0.00 C ATOM 590 CD LYS A 39 6.430 -11.801 -6.843 1.00 0.00 C ATOM 591 CE LYS A 39 5.596 -12.382 -5.698 1.00 0.00 C ATOM 592 NZ LYS A 39 6.229 -13.639 -5.203 1.00 0.00 N ATOM 0 H LYS A 39 4.595 -10.564 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 39 7.279 -9.932 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.252 -12.066 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.764 -12.080 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.944 -12.415 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.296 -13.521 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.491 -11.964 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.279 -10.723 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.520 -11.658 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.581 -12.585 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.660 -14.031 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.280 -14.331 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.189 -13.433 -4.860 1.00 0.00 H new ATOM 606 N GLU A 40 6.193 -9.338 -11.394 1.00 0.00 N ATOM 607 CA GLU A 40 6.519 -8.706 -12.671 1.00 0.00 C ATOM 608 C GLU A 40 6.069 -7.238 -12.678 1.00 0.00 C ATOM 609 O GLU A 40 5.841 -6.655 -13.741 1.00 0.00 O ATOM 610 CB GLU A 40 5.830 -9.446 -13.822 1.00 0.00 C ATOM 611 CG GLU A 40 6.284 -10.909 -13.842 1.00 0.00 C ATOM 612 CD GLU A 40 5.604 -11.639 -14.995 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.107 -11.555 -16.104 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.589 -12.273 -14.753 1.00 0.00 O ATOM 0 H GLU A 40 5.206 -9.564 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 40 7.600 -8.752 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.748 -9.393 -13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.072 -8.967 -14.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.367 -10.963 -13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.036 -11.391 -12.896 1.00 0.00 H new ATOM 621 N LEU A 41 5.951 -6.641 -11.481 1.00 0.00 N ATOM 622 CA LEU A 41 5.535 -5.240 -11.379 1.00 0.00 C ATOM 623 C LEU A 41 6.620 -4.314 -11.928 1.00 0.00 C ATOM 624 O LEU A 41 6.320 -3.232 -12.432 1.00 0.00 O ATOM 625 CB LEU A 41 5.232 -4.851 -9.930 1.00 0.00 C ATOM 626 CG LEU A 41 4.486 -3.521 -9.767 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.565 -3.590 -8.548 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.498 -2.387 -9.581 1.00 0.00 C ATOM 0 H LEU A 41 6.135 -7.099 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 41 4.626 -5.130 -11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.640 -5.643 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.171 -4.795 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 41 3.888 -3.332 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.037 -2.643 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.842 -4.394 -8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.158 -3.782 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.968 -1.442 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.099 -2.578 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.149 -2.333 -10.454 1.00 0.00 H new ATOM 640 N GLY A 42 7.884 -4.752 -11.843 1.00 0.00 N ATOM 641 CA GLY A 42 8.998 -3.953 -12.360 1.00 0.00 C ATOM 642 C GLY A 42 8.768 -3.609 -13.834 1.00 0.00 C ATOM 643 O GLY A 42 9.173 -2.545 -14.304 1.00 0.00 O ATOM 0 H GLY A 42 8.156 -5.643 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.098 -3.037 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.932 -4.505 -12.250 1.00 0.00 H new ATOM 647 N LYS A 43 8.095 -4.521 -14.550 1.00 0.00 N ATOM 648 CA LYS A 43 7.790 -4.314 -15.969 1.00 0.00 C ATOM 649 C LYS A 43 6.814 -3.145 -16.158 1.00 0.00 C ATOM 650 O LYS A 43 6.786 -2.518 -17.218 1.00 0.00 O ATOM 651 CB LYS A 43 7.161 -5.576 -16.578 1.00 0.00 C ATOM 652 CG LYS A 43 8.097 -6.776 -16.393 1.00 0.00 C ATOM 653 CD LYS A 43 9.061 -6.868 -17.580 1.00 0.00 C ATOM 654 CE LYS A 43 9.428 -8.334 -17.833 1.00 0.00 C ATOM 655 NZ LYS A 43 10.908 -8.467 -17.958 1.00 0.00 N ATOM 0 H LYS A 43 7.754 -5.404 -14.170 1.00 0.00 H new ATOM 0 HA LYS A 43 8.730 -4.088 -16.472 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.201 -5.778 -16.103 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.965 -5.418 -17.639 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.658 -6.672 -15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.515 -7.694 -16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.600 -6.439 -18.470 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.961 -6.287 -17.376 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.065 -8.956 -17.015 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.943 -8.689 -18.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.154 -9.463 -18.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.243 -7.886 -18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.361 -8.145 -17.079 1.00 0.00 H new ATOM 669 N VAL A 44 6.015 -2.857 -15.119 1.00 0.00 N ATOM 670 CA VAL A 44 5.044 -1.758 -15.185 1.00 0.00 C ATOM 671 C VAL A 44 5.697 -0.450 -14.736 1.00 0.00 C ATOM 672 O VAL A 44 5.402 0.616 -15.275 1.00 0.00 O ATOM 673 CB VAL A 44 3.786 -2.048 -14.324 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.578 -3.560 -14.167 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.915 -1.420 -12.929 1.00 0.00 C ATOM 0 H VAL A 44 6.022 -3.364 -14.234 1.00 0.00 H new ATOM 0 HA VAL A 44 4.722 -1.665 -16.222 1.00 0.00 H new ATOM 0 HB VAL A 44 2.931 -1.609 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.691 -3.744 -13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.446 -4.013 -15.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.449 -3.998 -13.679 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.020 -1.639 -12.347 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.787 -1.834 -12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.030 -0.340 -13.025 1.00 0.00 H new ATOM 685 N MET A 45 6.594 -0.544 -13.744 1.00 0.00 N ATOM 686 CA MET A 45 7.290 0.638 -13.238 1.00 0.00 C ATOM 687 C MET A 45 8.186 1.219 -14.325 1.00 0.00 C ATOM 688 O MET A 45 8.247 2.434 -14.507 1.00 0.00 O ATOM 689 CB MET A 45 8.144 0.288 -12.016 1.00 0.00 C ATOM 690 CG MET A 45 7.256 0.215 -10.771 1.00 0.00 C ATOM 691 SD MET A 45 6.922 1.889 -10.166 1.00 0.00 S ATOM 692 CE MET A 45 5.122 1.738 -10.045 1.00 0.00 C ATOM 0 H MET A 45 6.850 -1.417 -13.283 1.00 0.00 H new ATOM 0 HA MET A 45 6.540 1.373 -12.945 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.647 -0.666 -12.173 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.922 1.039 -11.876 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.320 -0.291 -11.008 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.747 -0.372 -9.995 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.684 2.724 -9.892 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.730 1.305 -10.966 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.867 1.093 -9.204 1.00 0.00 H new ATOM 702 N ARG A 46 8.864 0.328 -15.061 1.00 0.00 N ATOM 703 CA ARG A 46 9.743 0.760 -16.150 1.00 0.00 C ATOM 704 C ARG A 46 8.916 1.397 -17.269 1.00 0.00 C ATOM 705 O ARG A 46 9.358 2.348 -17.917 1.00 0.00 O ATOM 706 CB ARG A 46 10.538 -0.423 -16.717 1.00 0.00 C ATOM 707 CG ARG A 46 11.343 -1.094 -15.597 1.00 0.00 C ATOM 708 CD ARG A 46 12.810 -0.670 -15.686 1.00 0.00 C ATOM 709 NE ARG A 46 13.625 -1.737 -16.273 1.00 0.00 N ATOM 710 CZ ARG A 46 14.033 -2.796 -15.556 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.712 -2.915 -14.288 1.00 0.00 N ATOM 712 NH2 ARG A 46 14.758 -3.723 -16.129 1.00 0.00 N ATOM 0 H ARG A 46 8.821 -0.682 -14.923 1.00 0.00 H new ATOM 0 HA ARG A 46 10.444 1.492 -15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.859 -1.145 -17.172 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.210 -0.078 -17.503 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.933 -0.816 -14.626 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.263 -2.178 -15.679 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.896 0.234 -16.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.184 -0.426 -14.692 1.00 0.00 H new ATOM 0 HE ARG A 46 13.890 -1.673 -17.256 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.146 -2.197 -13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.029 -3.725 -13.756 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.009 -3.638 -17.114 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.072 -4.531 -15.591 1.00 0.00 H new ATOM 726 N MET A 47 7.698 0.874 -17.470 1.00 0.00 N ATOM 727 CA MET A 47 6.798 1.410 -18.495 1.00 0.00 C ATOM 728 C MET A 47 6.225 2.758 -18.044 1.00 0.00 C ATOM 729 O MET A 47 5.960 3.638 -18.865 1.00 0.00 O ATOM 730 CB MET A 47 5.641 0.439 -18.762 1.00 0.00 C ATOM 731 CG MET A 47 6.117 -0.694 -19.676 1.00 0.00 C ATOM 732 SD MET A 47 6.263 -0.082 -21.375 1.00 0.00 S ATOM 733 CE MET A 47 8.066 -0.178 -21.500 1.00 0.00 C ATOM 0 H MET A 47 7.318 0.089 -16.941 1.00 0.00 H new ATOM 0 HA MET A 47 7.373 1.543 -19.411 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.273 0.030 -17.821 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.809 0.969 -19.226 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.079 -1.073 -19.331 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.414 -1.526 -19.637 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.431 0.637 -22.125 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.505 -0.097 -20.505 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.350 -1.132 -21.945 1.00 0.00 H new ATOM 743 N LEU A 48 6.051 2.908 -16.725 1.00 0.00 N ATOM 744 CA LEU A 48 5.522 4.150 -16.150 1.00 0.00 C ATOM 745 C LEU A 48 6.570 5.267 -16.230 1.00 0.00 C ATOM 746 O LEU A 48 6.230 6.450 -16.273 1.00 0.00 O ATOM 747 CB LEU A 48 5.137 3.932 -14.678 1.00 0.00 C ATOM 748 CG LEU A 48 3.679 3.515 -14.410 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.159 2.603 -15.530 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.607 2.761 -13.077 1.00 0.00 C ATOM 0 H LEU A 48 6.268 2.186 -16.038 1.00 0.00 H new ATOM 0 HA LEU A 48 4.640 4.439 -16.721 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.794 3.168 -14.262 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.335 4.854 -14.132 1.00 0.00 H new ATOM 0 HG LEU A 48 3.061 4.412 -14.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.127 2.321 -15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.204 3.133 -16.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.776 1.706 -15.585 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.577 2.463 -12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.238 1.873 -13.126 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.955 3.409 -12.273 1.00 0.00 H new ATOM 762 N GLY A 49 7.850 4.871 -16.255 1.00 0.00 N ATOM 763 CA GLY A 49 8.952 5.833 -16.336 1.00 0.00 C ATOM 764 C GLY A 49 9.839 5.780 -15.088 1.00 0.00 C ATOM 765 O GLY A 49 10.439 6.786 -14.705 1.00 0.00 O ATOM 0 H GLY A 49 8.145 3.895 -16.220 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.554 5.624 -17.220 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.550 6.839 -16.455 1.00 0.00 H new ATOM 769 N GLN A 50 9.918 4.600 -14.460 1.00 0.00 N ATOM 770 CA GLN A 50 10.736 4.428 -13.254 1.00 0.00 C ATOM 771 C GLN A 50 11.549 3.138 -13.341 1.00 0.00 C ATOM 772 O GLN A 50 11.035 2.091 -13.736 1.00 0.00 O ATOM 773 CB GLN A 50 9.858 4.362 -11.994 1.00 0.00 C ATOM 774 CG GLN A 50 8.775 5.449 -12.035 1.00 0.00 C ATOM 775 CD GLN A 50 9.395 6.822 -11.780 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.302 6.963 -10.958 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.951 7.856 -12.443 1.00 0.00 N ATOM 0 H GLN A 50 9.430 3.757 -14.764 1.00 0.00 H new ATOM 0 HA GLN A 50 11.402 5.288 -13.188 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.392 3.379 -11.919 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.476 4.490 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.278 5.441 -13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.012 5.241 -11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.200 7.741 -13.124 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.355 8.778 -12.280 1.00 0.00 H new ATOM 786 N ASN A 51 12.823 3.225 -12.959 1.00 0.00 N ATOM 787 CA ASN A 51 13.707 2.056 -12.988 1.00 0.00 C ATOM 788 C ASN A 51 14.237 1.760 -11.579 1.00 0.00 C ATOM 789 O ASN A 51 15.359 2.140 -11.232 1.00 0.00 O ATOM 790 CB ASN A 51 14.886 2.302 -13.940 1.00 0.00 C ATOM 791 CG ASN A 51 15.433 0.966 -14.442 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.774 0.088 -13.648 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.541 0.759 -15.727 1.00 0.00 N ATOM 0 H ASN A 51 13.264 4.083 -12.629 1.00 0.00 H new ATOM 0 HA ASN A 51 13.135 1.199 -13.344 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.563 2.913 -14.783 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.671 2.857 -13.426 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.907 -0.128 -16.072 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.259 1.485 -16.386 1.00 0.00 H new ATOM 800 N PRO A 52 13.429 1.081 -10.751 1.00 0.00 N ATOM 801 CA PRO A 52 13.818 0.740 -9.367 1.00 0.00 C ATOM 802 C PRO A 52 14.670 -0.533 -9.293 1.00 0.00 C ATOM 803 O PRO A 52 15.242 -0.976 -10.292 1.00 0.00 O ATOM 804 CB PRO A 52 12.463 0.521 -8.702 1.00 0.00 C ATOM 805 CG PRO A 52 11.484 0.142 -9.804 1.00 0.00 C ATOM 806 CD PRO A 52 12.079 0.617 -11.133 1.00 0.00 C ATOM 0 HA PRO A 52 14.434 1.508 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.524 -0.268 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.135 1.425 -8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.323 -0.936 -9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.513 0.607 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.122 -0.189 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.488 1.419 -11.575 1.00 0.00 H new ATOM 814 N THR A 53 14.736 -1.114 -8.093 1.00 0.00 N ATOM 815 CA THR A 53 15.506 -2.340 -7.869 1.00 0.00 C ATOM 816 C THR A 53 14.540 -3.505 -7.597 1.00 0.00 C ATOM 817 O THR A 53 13.326 -3.299 -7.531 1.00 0.00 O ATOM 818 CB THR A 53 16.457 -2.154 -6.668 1.00 0.00 C ATOM 819 OG1 THR A 53 15.760 -2.411 -5.456 1.00 0.00 O ATOM 820 CG2 THR A 53 16.995 -0.721 -6.642 1.00 0.00 C ATOM 0 H THR A 53 14.266 -0.756 -7.262 1.00 0.00 H new ATOM 0 HA THR A 53 16.100 -2.561 -8.756 1.00 0.00 H new ATOM 0 HB THR A 53 17.288 -2.852 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.369 -2.293 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.665 -0.599 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.540 -0.520 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.164 -0.022 -6.552 1.00 0.00 H new ATOM 828 N PRO A 54 15.054 -4.734 -7.420 1.00 0.00 N ATOM 829 CA PRO A 54 14.192 -5.899 -7.139 1.00 0.00 C ATOM 830 C PRO A 54 13.688 -5.903 -5.693 1.00 0.00 C ATOM 831 O PRO A 54 12.614 -6.432 -5.399 1.00 0.00 O ATOM 832 CB PRO A 54 15.118 -7.076 -7.424 1.00 0.00 C ATOM 833 CG PRO A 54 16.543 -6.563 -7.286 1.00 0.00 C ATOM 834 CD PRO A 54 16.501 -5.043 -7.477 1.00 0.00 C ATOM 0 HA PRO A 54 13.281 -5.914 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.932 -7.891 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.945 -7.469 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.949 -6.816 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.192 -7.026 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.055 -4.524 -6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.939 -4.745 -8.429 1.00 0.00 H new ATOM 842 N GLU A 55 14.463 -5.274 -4.803 1.00 0.00 N ATOM 843 CA GLU A 55 14.081 -5.175 -3.396 1.00 0.00 C ATOM 844 C GLU A 55 13.067 -4.042 -3.214 1.00 0.00 C ATOM 845 O GLU A 55 12.155 -4.139 -2.396 1.00 0.00 O ATOM 846 CB GLU A 55 15.306 -4.893 -2.520 1.00 0.00 C ATOM 847 CG GLU A 55 16.188 -6.144 -2.451 1.00 0.00 C ATOM 848 CD GLU A 55 17.624 -5.740 -2.130 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.343 -5.396 -3.056 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.985 -5.779 -0.965 1.00 0.00 O ATOM 0 H GLU A 55 15.352 -4.830 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 55 13.639 -6.124 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.874 -4.058 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.990 -4.603 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.812 -6.825 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.153 -6.679 -3.400 1.00 0.00 H new ATOM 857 N GLU A 56 13.243 -2.968 -3.998 1.00 0.00 N ATOM 858 CA GLU A 56 12.345 -1.814 -3.929 1.00 0.00 C ATOM 859 C GLU A 56 11.003 -2.131 -4.590 1.00 0.00 C ATOM 860 O GLU A 56 9.945 -1.846 -4.027 1.00 0.00 O ATOM 861 CB GLU A 56 12.974 -0.602 -4.625 1.00 0.00 C ATOM 862 CG GLU A 56 12.465 0.693 -3.979 1.00 0.00 C ATOM 863 CD GLU A 56 11.100 1.064 -4.560 1.00 0.00 C ATOM 864 OE1 GLU A 56 11.036 1.338 -5.749 1.00 0.00 O ATOM 865 OE2 GLU A 56 10.140 1.069 -3.807 1.00 0.00 O ATOM 0 H GLU A 56 13.995 -2.878 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 56 12.180 -1.583 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.060 -0.653 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.725 -0.611 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.388 0.565 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.176 1.501 -4.154 1.00 0.00 H new ATOM 872 N LEU A 57 11.053 -2.719 -5.795 1.00 0.00 N ATOM 873 CA LEU A 57 9.827 -3.061 -6.520 1.00 0.00 C ATOM 874 C LEU A 57 8.918 -3.952 -5.669 1.00 0.00 C ATOM 875 O LEU A 57 7.706 -3.765 -5.652 1.00 0.00 O ATOM 876 CB LEU A 57 10.145 -3.760 -7.856 1.00 0.00 C ATOM 877 CG LEU A 57 10.408 -5.273 -7.792 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.077 -6.035 -7.816 1.00 0.00 C ATOM 879 CD2 LEU A 57 11.249 -5.690 -9.003 1.00 0.00 C ATOM 0 H LEU A 57 11.917 -2.963 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 57 9.304 -2.129 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.313 -3.587 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.021 -3.280 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 57 10.941 -5.507 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.270 -7.107 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.473 -5.739 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.541 -5.802 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.438 -6.763 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.710 -5.451 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.198 -5.153 -8.989 1.00 0.00 H new ATOM 891 N GLN A 58 9.515 -4.917 -4.960 1.00 0.00 N ATOM 892 CA GLN A 58 8.733 -5.819 -4.110 1.00 0.00 C ATOM 893 C GLN A 58 8.335 -5.127 -2.802 1.00 0.00 C ATOM 894 O GLN A 58 7.253 -5.375 -2.267 1.00 0.00 O ATOM 895 CB GLN A 58 9.527 -7.092 -3.795 1.00 0.00 C ATOM 896 CG GLN A 58 8.598 -8.145 -3.177 1.00 0.00 C ATOM 897 CD GLN A 58 7.608 -8.653 -4.226 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.966 -9.459 -5.086 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.372 -8.229 -4.205 1.00 0.00 N ATOM 0 H GLN A 58 10.520 -5.091 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 58 7.829 -6.089 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.980 -7.483 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.341 -6.863 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.186 -8.976 -2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.058 -7.715 -2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.074 -7.562 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.706 -8.565 -4.900 1.00 0.00 H new ATOM 908 N GLU A 59 9.216 -4.257 -2.292 1.00 0.00 N ATOM 909 CA GLU A 59 8.941 -3.533 -1.045 1.00 0.00 C ATOM 910 C GLU A 59 7.702 -2.648 -1.183 1.00 0.00 C ATOM 911 O GLU A 59 6.827 -2.658 -0.316 1.00 0.00 O ATOM 912 CB GLU A 59 10.134 -2.655 -0.652 1.00 0.00 C ATOM 913 CG GLU A 59 10.948 -3.358 0.435 1.00 0.00 C ATOM 914 CD GLU A 59 10.263 -3.174 1.788 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.541 -2.181 2.442 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.470 -4.028 2.150 1.00 0.00 O ATOM 0 H GLU A 59 10.116 -4.039 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 59 8.765 -4.279 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.760 -2.463 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.784 -1.688 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.041 -4.419 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.958 -2.949 0.469 1.00 0.00 H new ATOM 923 N MET A 60 7.634 -1.887 -2.281 1.00 0.00 N ATOM 924 CA MET A 60 6.487 -1.004 -2.514 1.00 0.00 C ATOM 925 C MET A 60 5.215 -1.825 -2.748 1.00 0.00 C ATOM 926 O MET A 60 4.112 -1.368 -2.447 1.00 0.00 O ATOM 927 CB MET A 60 6.734 -0.073 -3.712 1.00 0.00 C ATOM 928 CG MET A 60 6.839 -0.883 -5.007 1.00 0.00 C ATOM 929 SD MET A 60 7.870 0.009 -6.199 1.00 0.00 S ATOM 930 CE MET A 60 6.648 1.252 -6.682 1.00 0.00 C ATOM 0 H MET A 60 8.347 -1.864 -3.011 1.00 0.00 H new ATOM 0 HA MET A 60 6.357 -0.390 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.922 0.649 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.651 0.495 -3.556 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.269 -1.863 -4.801 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.846 -1.052 -5.424 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.099 1.952 -7.385 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.797 0.761 -7.154 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.310 1.793 -5.798 1.00 0.00 H new ATOM 940 N ILE A 61 5.385 -3.046 -3.273 1.00 0.00 N ATOM 941 CA ILE A 61 4.247 -3.932 -3.529 1.00 0.00 C ATOM 942 C ILE A 61 3.676 -4.449 -2.213 1.00 0.00 C ATOM 943 O ILE A 61 2.471 -4.400 -1.990 1.00 0.00 O ATOM 944 CB ILE A 61 4.675 -5.120 -4.400 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.970 -4.615 -5.811 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.554 -6.166 -4.459 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.792 -5.656 -6.571 1.00 0.00 C ATOM 0 H ILE A 61 6.292 -3.438 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 61 3.482 -3.361 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 61 5.564 -5.581 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.037 -4.418 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.515 -3.672 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.870 -7.004 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.336 -6.523 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.658 -5.716 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.000 -5.292 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.732 -5.831 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.231 -6.589 -6.632 1.00 0.00 H new ATOM 959 N ASP A 62 4.556 -4.944 -1.342 1.00 0.00 N ATOM 960 CA ASP A 62 4.118 -5.465 -0.044 1.00 0.00 C ATOM 961 C ASP A 62 3.401 -4.377 0.763 1.00 0.00 C ATOM 962 O ASP A 62 2.467 -4.664 1.515 1.00 0.00 O ATOM 963 CB ASP A 62 5.314 -5.981 0.763 1.00 0.00 C ATOM 964 CG ASP A 62 5.599 -7.431 0.380 1.00 0.00 C ATOM 965 OD1 ASP A 62 6.373 -7.639 -0.540 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.034 -8.311 1.009 1.00 0.00 O ATOM 0 H ASP A 62 5.561 -4.996 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 62 3.428 -6.287 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.191 -5.363 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.104 -5.910 1.830 1.00 0.00 H new ATOM 971 N GLU A 63 3.849 -3.127 0.597 1.00 0.00 N ATOM 972 CA GLU A 63 3.248 -1.997 1.313 1.00 0.00 C ATOM 973 C GLU A 63 1.911 -1.577 0.681 1.00 0.00 C ATOM 974 O GLU A 63 0.955 -1.265 1.395 1.00 0.00 O ATOM 975 CB GLU A 63 4.198 -0.795 1.307 1.00 0.00 C ATOM 976 CG GLU A 63 4.991 -0.753 2.619 1.00 0.00 C ATOM 977 CD GLU A 63 4.399 0.307 3.545 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.619 1.481 3.289 1.00 0.00 O ATOM 979 OE2 GLU A 63 3.732 -0.070 4.496 1.00 0.00 O ATOM 0 H GLU A 63 4.619 -2.874 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 63 3.066 -2.323 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.881 -0.864 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.631 0.128 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.963 -1.729 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.038 -0.528 2.415 1.00 0.00 H new ATOM 986 N VAL A 64 1.855 -1.558 -0.659 1.00 0.00 N ATOM 987 CA VAL A 64 0.628 -1.157 -1.365 1.00 0.00 C ATOM 988 C VAL A 64 -0.423 -2.277 -1.354 1.00 0.00 C ATOM 989 O VAL A 64 -1.619 -2.008 -1.233 1.00 0.00 O ATOM 990 CB VAL A 64 0.937 -0.752 -2.820 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.445 -1.957 -3.615 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.333 -0.207 -3.489 1.00 0.00 C ATOM 0 H VAL A 64 2.632 -1.812 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 64 0.221 -0.297 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 64 1.708 0.018 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.658 -1.653 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.355 -2.340 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.684 -2.737 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.109 0.078 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.105 -0.977 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.688 0.665 -2.940 1.00 0.00 H new ATOM 1002 N ASP A 65 0.029 -3.530 -1.481 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.889 -4.667 -1.484 1.00 0.00 C ATOM 1004 C ASP A 65 -1.397 -4.930 -0.066 1.00 0.00 C ATOM 1005 O ASP A 65 -0.692 -5.503 0.767 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.194 -5.925 -2.023 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.047 -6.560 -3.120 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -0.949 -6.114 -4.252 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.784 -7.481 -2.811 1.00 0.00 O ATOM 0 H ASP A 65 1.013 -3.777 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.730 -4.427 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.789 -5.667 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.036 -6.639 -1.214 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.629 -4.485 0.194 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.246 -4.652 1.517 1.00 0.00 C ATOM 1016 C GLU A 66 -3.340 -6.129 1.912 1.00 0.00 C ATOM 1017 O GLU A 66 -3.192 -6.478 3.084 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.656 -4.041 1.536 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.522 -4.672 0.437 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.946 -4.132 0.535 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.718 -4.687 1.299 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.243 -3.173 -0.158 1.00 0.00 O ATOM 0 H GLU A 66 -3.218 -4.008 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.609 -4.136 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.117 -4.203 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.595 -2.963 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.104 -4.447 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.526 -5.757 0.541 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.594 -6.986 0.921 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.713 -8.424 1.171 1.00 0.00 C ATOM 1031 C ASP A 67 -2.377 -9.136 0.948 1.00 0.00 C ATOM 1032 O ASP A 67 -2.045 -10.085 1.660 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.790 -9.050 0.269 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.638 -8.559 -1.173 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.145 -7.491 -1.475 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.021 -9.259 -1.951 1.00 0.00 O ATOM 0 H ASP A 67 -3.720 -6.713 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.006 -8.551 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.710 -10.137 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.781 -8.792 0.644 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.615 -8.671 -0.048 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.317 -9.272 -0.356 1.00 0.00 C ATOM 1043 C GLY A 68 -0.497 -10.637 -1.013 1.00 0.00 C ATOM 1044 O GLY A 68 0.123 -11.622 -0.608 1.00 0.00 O ATOM 0 H GLY A 68 -1.873 -7.888 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.245 -8.615 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.267 -9.377 0.558 1.00 0.00 H new ATOM 1048 N SER A 69 -1.363 -10.682 -2.027 1.00 0.00 N ATOM 1049 CA SER A 69 -1.639 -11.930 -2.741 1.00 0.00 C ATOM 1050 C SER A 69 -0.655 -12.166 -3.899 1.00 0.00 C ATOM 1051 O SER A 69 -0.811 -13.125 -4.660 1.00 0.00 O ATOM 1052 CB SER A 69 -3.062 -11.910 -3.308 1.00 0.00 C ATOM 1053 OG SER A 69 -3.218 -10.776 -4.157 1.00 0.00 O ATOM 0 H SER A 69 -1.882 -9.874 -2.371 1.00 0.00 H new ATOM 0 HA SER A 69 -1.525 -12.739 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.255 -12.826 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.788 -11.873 -2.496 1.00 0.00 H new ATOM 0 HG SER A 69 -3.506 -10.006 -3.624 1.00 0.00 H new ATOM 1059 N GLY A 70 0.347 -11.288 -4.045 1.00 0.00 N ATOM 1060 CA GLY A 70 1.314 -11.427 -5.131 1.00 0.00 C ATOM 1061 C GLY A 70 0.712 -10.955 -6.457 1.00 0.00 C ATOM 1062 O GLY A 70 1.223 -11.278 -7.532 1.00 0.00 O ATOM 0 H GLY A 70 0.504 -10.487 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.208 -10.846 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.624 -12.468 -5.217 1.00 0.00 H new ATOM 1066 N THR A 71 -0.380 -10.183 -6.368 1.00 0.00 N ATOM 1067 CA THR A 71 -1.050 -9.663 -7.558 1.00 0.00 C ATOM 1068 C THR A 71 -1.590 -8.261 -7.277 1.00 0.00 C ATOM 1069 O THR A 71 -2.236 -8.024 -6.251 1.00 0.00 O ATOM 1070 CB THR A 71 -2.213 -10.576 -7.987 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.293 -10.451 -7.068 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.744 -12.034 -8.027 1.00 0.00 C ATOM 0 H THR A 71 -0.813 -9.908 -5.486 1.00 0.00 H new ATOM 0 HA THR A 71 -0.320 -9.627 -8.366 1.00 0.00 H new ATOM 0 HB THR A 71 -2.548 -10.277 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.966 -10.600 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.572 -12.674 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.927 -12.134 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.399 -12.333 -7.037 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.312 -7.333 -8.194 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.769 -5.954 -8.028 1.00 0.00 C ATOM 1082 C VAL A 72 -3.055 -5.716 -8.809 1.00 0.00 C ATOM 1083 O VAL A 72 -3.085 -5.833 -10.036 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.718 -4.952 -8.522 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.067 -3.552 -8.008 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.669 -5.342 -8.010 1.00 0.00 C ATOM 0 H VAL A 72 -0.781 -7.508 -9.047 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.942 -5.804 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.711 -4.958 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.321 -2.839 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.049 -3.262 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.080 -3.557 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.405 -4.622 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.667 -5.346 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.926 -6.336 -8.376 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.107 -5.343 -8.086 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.389 -5.044 -8.717 1.00 0.00 C ATOM 1098 C ASP A 73 -5.350 -3.607 -9.224 1.00 0.00 C ATOM 1099 O ASP A 73 -4.451 -2.848 -8.864 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.540 -5.202 -7.718 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.723 -6.679 -7.377 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.320 -7.383 -8.175 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -6.262 -7.087 -6.323 1.00 0.00 O ATOM 0 H ASP A 73 -4.098 -5.241 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.556 -5.739 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.330 -4.633 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.460 -4.799 -8.141 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.311 -3.228 -10.067 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.323 -1.864 -10.600 1.00 0.00 C ATOM 1110 C PHE A 74 -6.397 -0.832 -9.469 1.00 0.00 C ATOM 1111 O PHE A 74 -5.816 0.250 -9.573 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.485 -1.649 -11.572 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.192 -0.451 -12.441 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.944 -0.334 -13.063 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.166 0.535 -12.632 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.669 0.770 -13.873 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -7.890 1.642 -13.442 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.641 1.758 -14.063 1.00 0.00 C ATOM 0 H PHE A 74 -7.072 -3.826 -10.389 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.389 -1.727 -11.145 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.626 -2.536 -12.190 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.412 -1.495 -11.020 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.194 -1.097 -12.917 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.130 0.442 -12.155 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.706 0.861 -14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.640 2.406 -13.588 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.427 2.611 -14.690 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.092 -1.183 -8.380 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.197 -0.279 -7.233 1.00 0.00 C ATOM 1130 C ASP A 75 -5.828 -0.140 -6.563 1.00 0.00 C ATOM 1131 O ASP A 75 -5.395 0.966 -6.239 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.210 -0.803 -6.208 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.601 0.325 -5.256 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.511 1.066 -5.589 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -7.985 0.431 -4.208 1.00 0.00 O ATOM 0 H ASP A 75 -7.582 -2.071 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.538 0.691 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.094 -1.186 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.780 -1.633 -5.648 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.146 -1.279 -6.384 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.812 -1.285 -5.774 1.00 0.00 C ATOM 1142 C GLU A 76 -2.791 -0.647 -6.726 1.00 0.00 C ATOM 1143 O GLU A 76 -1.799 -0.060 -6.290 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.362 -2.720 -5.458 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.406 -3.415 -4.571 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.972 -4.854 -4.279 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.839 -5.619 -5.221 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.784 -5.173 -3.116 1.00 0.00 O ATOM 0 H GLU A 76 -5.493 -2.200 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.866 -0.712 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.228 -3.280 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.396 -2.704 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.525 -2.866 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.376 -3.413 -5.068 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.053 -0.775 -8.034 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.170 -0.224 -9.063 1.00 0.00 C ATOM 1157 C PHE A 77 -2.157 1.305 -9.006 1.00 0.00 C ATOM 1158 O PHE A 77 -1.094 1.926 -8.922 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.658 -0.669 -10.452 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.509 -0.918 -11.406 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.187 -1.058 -10.950 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.785 -1.014 -12.773 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.845 -1.288 -11.864 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.752 -1.245 -13.684 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.563 -1.381 -13.231 1.00 0.00 C ATOM 0 H PHE A 77 -3.873 -1.257 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.160 -0.593 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.251 -1.579 -10.353 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.314 0.096 -10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.031 -0.988 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.800 -0.909 -13.126 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.861 -1.394 -11.514 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.970 -1.319 -14.739 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.362 -1.558 -13.936 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.353 1.901 -9.056 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.485 3.363 -9.015 1.00 0.00 C ATOM 1177 C LEU A 78 -3.128 3.908 -7.631 1.00 0.00 C ATOM 1178 O LEU A 78 -2.588 5.009 -7.510 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.916 3.778 -9.366 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.216 3.904 -10.867 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.746 2.649 -11.603 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.723 4.073 -11.068 1.00 0.00 C ATOM 0 H LEU A 78 -4.238 1.399 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.793 3.779 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.603 3.050 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.126 4.735 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.688 4.771 -11.266 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.963 2.748 -12.667 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.672 2.525 -11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.267 1.778 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.940 4.163 -12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.244 3.205 -10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.060 4.972 -10.552 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.425 3.121 -6.590 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.120 3.525 -5.214 1.00 0.00 C ATOM 1196 C VAL A 79 -1.611 3.749 -5.066 1.00 0.00 C ATOM 1197 O VAL A 79 -1.176 4.754 -4.508 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.609 2.449 -4.222 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.676 2.363 -3.011 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.020 2.805 -3.747 1.00 0.00 C ATOM 0 H VAL A 79 -3.873 2.208 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.638 4.457 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.614 1.484 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.040 1.598 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.671 2.103 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.652 3.326 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.370 2.047 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.003 3.777 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.693 2.845 -4.603 1.00 0.00 H new ATOM 1210 N MET A 80 -0.828 2.799 -5.588 1.00 0.00 N ATOM 1211 CA MET A 80 0.638 2.879 -5.538 1.00 0.00 C ATOM 1212 C MET A 80 1.148 4.272 -5.942 1.00 0.00 C ATOM 1213 O MET A 80 2.204 4.708 -5.479 1.00 0.00 O ATOM 1214 CB MET A 80 1.254 1.841 -6.485 1.00 0.00 C ATOM 1215 CG MET A 80 2.318 1.031 -5.742 1.00 0.00 C ATOM 1216 SD MET A 80 3.035 -0.198 -6.864 1.00 0.00 S ATOM 1217 CE MET A 80 1.590 -1.285 -6.976 1.00 0.00 C ATOM 0 H MET A 80 -1.185 1.963 -6.051 1.00 0.00 H new ATOM 0 HA MET A 80 0.936 2.682 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.478 1.177 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.699 2.339 -7.346 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.097 1.693 -5.365 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.875 0.536 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.854 -2.280 -6.617 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.783 -0.881 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.263 -1.349 -8.014 1.00 0.00 H new ATOM 1227 N MET A 81 0.390 4.966 -6.806 1.00 0.00 N ATOM 1228 CA MET A 81 0.784 6.306 -7.255 1.00 0.00 C ATOM 1229 C MET A 81 0.804 7.281 -6.074 1.00 0.00 C ATOM 1230 O MET A 81 1.819 7.926 -5.807 1.00 0.00 O ATOM 1231 CB MET A 81 -0.189 6.826 -8.322 1.00 0.00 C ATOM 1232 CG MET A 81 0.344 8.137 -8.913 1.00 0.00 C ATOM 1233 SD MET A 81 0.166 8.109 -10.713 1.00 0.00 S ATOM 1234 CE MET A 81 1.628 7.106 -11.070 1.00 0.00 C ATOM 0 H MET A 81 -0.486 4.626 -7.201 1.00 0.00 H new ATOM 0 HA MET A 81 1.784 6.236 -7.684 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.310 6.083 -9.110 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.173 6.988 -7.883 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.202 8.984 -8.497 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.392 8.270 -8.643 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.487 6.581 -12.015 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.504 7.751 -11.141 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.776 6.381 -10.270 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.328 7.372 -5.370 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.434 8.266 -4.211 1.00 0.00 C ATOM 1246 C VAL A 82 0.457 7.779 -3.064 1.00 0.00 C ATOM 1247 O VAL A 82 0.976 8.582 -2.289 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.886 8.364 -3.719 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.757 8.973 -4.819 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.417 6.971 -3.366 1.00 0.00 C ATOM 0 H VAL A 82 -1.176 6.844 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.101 9.253 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.918 8.995 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.787 9.043 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.389 9.969 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.716 8.342 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.447 7.052 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.381 6.333 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.801 6.536 -2.579 1.00 0.00 H new ATOM 1260 N ARG A 83 0.635 6.454 -2.973 1.00 0.00 N ATOM 1261 CA ARG A 83 1.477 5.866 -1.926 1.00 0.00 C ATOM 1262 C ARG A 83 2.908 6.395 -2.039 1.00 0.00 C ATOM 1263 O ARG A 83 3.547 6.712 -1.035 1.00 0.00 O ATOM 1264 CB ARG A 83 1.514 4.337 -2.047 1.00 0.00 C ATOM 1265 CG ARG A 83 0.120 3.754 -1.792 1.00 0.00 C ATOM 1266 CD ARG A 83 0.242 2.275 -1.412 1.00 0.00 C ATOM 1267 NE ARG A 83 0.483 2.121 0.025 1.00 0.00 N ATOM 1268 CZ ARG A 83 1.714 1.943 0.529 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.769 1.912 -0.253 1.00 0.00 N ATOM 1270 NH2 ARG A 83 1.863 1.798 1.819 1.00 0.00 N ATOM 0 H ARG A 83 0.211 5.776 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 83 1.049 6.144 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.860 4.051 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.225 3.925 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.375 4.305 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.498 3.861 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.671 1.748 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.058 1.818 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.312 2.150 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.660 2.024 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.697 1.776 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.048 1.821 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.794 1.662 2.213 1.00 0.00 H new ATOM 1284 N CYS A 84 3.396 6.490 -3.280 1.00 0.00 N ATOM 1285 CA CYS A 84 4.752 6.988 -3.531 1.00 0.00 C ATOM 1286 C CYS A 84 4.870 8.461 -3.134 1.00 0.00 C ATOM 1287 O CYS A 84 5.892 8.888 -2.592 1.00 0.00 O ATOM 1288 CB CYS A 84 5.116 6.840 -5.012 1.00 0.00 C ATOM 1289 SG CYS A 84 5.640 5.139 -5.339 1.00 0.00 S ATOM 0 H CYS A 84 2.878 6.231 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 84 5.439 6.395 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.258 7.094 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.915 7.534 -5.272 1.00 0.00 H new ATOM 0 HG CYS A 84 5.947 5.013 -6.596 1.00 0.00 H new ATOM 1295 N MET A 85 3.810 9.231 -3.409 1.00 0.00 N ATOM 1296 CA MET A 85 3.798 10.658 -3.078 1.00 0.00 C ATOM 1297 C MET A 85 3.717 10.866 -1.565 1.00 0.00 C ATOM 1298 O MET A 85 4.536 11.580 -0.984 1.00 0.00 O ATOM 1299 CB MET A 85 2.606 11.356 -3.743 1.00 0.00 C ATOM 1300 CG MET A 85 3.005 11.833 -5.141 1.00 0.00 C ATOM 1301 SD MET A 85 1.520 12.302 -6.066 1.00 0.00 S ATOM 1302 CE MET A 85 1.232 13.894 -5.254 1.00 0.00 C ATOM 0 H MET A 85 2.958 8.892 -3.856 1.00 0.00 H new ATOM 0 HA MET A 85 4.727 11.090 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.761 10.671 -3.809 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.283 12.203 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.684 12.683 -5.067 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.540 11.043 -5.668 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.394 13.804 -4.563 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.126 14.189 -4.704 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.003 14.649 -6.005 1.00 0.00 H new ATOM 1312 N LYS A 86 2.716 10.241 -0.932 1.00 0.00 N ATOM 1313 CA LYS A 86 2.539 10.377 0.514 1.00 0.00 C ATOM 1314 C LYS A 86 2.222 9.029 1.162 1.00 0.00 C ATOM 1315 O LYS A 86 1.165 8.441 0.922 1.00 0.00 O ATOM 1316 CB LYS A 86 1.401 11.357 0.823 1.00 0.00 C ATOM 1317 CG LYS A 86 1.558 11.897 2.250 1.00 0.00 C ATOM 1318 CD LYS A 86 0.705 11.064 3.213 1.00 0.00 C ATOM 1319 CE LYS A 86 0.462 11.854 4.502 1.00 0.00 C ATOM 1320 NZ LYS A 86 1.618 11.675 5.428 1.00 0.00 N ATOM 0 H LYS A 86 2.027 9.646 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 86 3.475 10.756 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.413 12.180 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.438 10.857 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.605 11.859 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.253 12.943 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.246 10.811 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.208 10.124 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.328 12.911 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.456 11.513 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.449 12.213 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.726 10.666 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.486 12.021 4.971 1.00 0.00 H new ATOM 1334 N ASP A 87 3.149 8.562 2.004 1.00 0.00 N ATOM 1335 CA ASP A 87 2.973 7.294 2.717 1.00 0.00 C ATOM 1336 C ASP A 87 4.126 7.081 3.699 1.00 0.00 C ATOM 1337 O ASP A 87 5.075 6.340 3.424 1.00 0.00 O ATOM 1338 CB ASP A 87 2.896 6.105 1.745 1.00 0.00 C ATOM 1339 CG ASP A 87 2.358 4.876 2.479 1.00 0.00 C ATOM 1340 OD1 ASP A 87 3.145 4.197 3.120 1.00 0.00 O ATOM 1341 OD2 ASP A 87 1.167 4.630 2.387 1.00 0.00 O ATOM 0 H ASP A 87 4.026 9.041 2.208 1.00 0.00 H new ATOM 0 HA ASP A 87 2.031 7.348 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.248 6.351 0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.883 5.893 1.335 1.00 0.00 H new ATOM 1346 N ASP A 88 4.028 7.744 4.853 1.00 0.00 N ATOM 1347 CA ASP A 88 5.059 7.627 5.886 1.00 0.00 C ATOM 1348 C ASP A 88 5.025 6.230 6.506 1.00 0.00 C ATOM 1349 O ASP A 88 6.065 5.593 6.685 1.00 0.00 O ATOM 1350 CB ASP A 88 4.842 8.676 6.986 1.00 0.00 C ATOM 1351 CG ASP A 88 5.371 10.029 6.516 1.00 0.00 C ATOM 1352 OD1 ASP A 88 4.673 10.686 5.759 1.00 0.00 O ATOM 1353 OD2 ASP A 88 6.464 10.389 6.920 1.00 0.00 O ATOM 0 H ASP A 88 3.253 8.362 5.094 1.00 0.00 H new ATOM 0 HA ASP A 88 6.030 7.796 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.781 8.752 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.354 8.371 7.899 1.00 0.00 H new ATOM 1358 N SER A 89 3.813 5.761 6.817 1.00 0.00 N ATOM 1359 CA SER A 89 3.635 4.434 7.404 1.00 0.00 C ATOM 1360 C SER A 89 2.956 3.498 6.399 1.00 0.00 C ATOM 1361 O SER A 89 1.837 3.788 5.999 1.00 0.00 O ATOM 1362 CB SER A 89 2.793 4.515 8.683 1.00 0.00 C ATOM 1363 OG SER A 89 1.636 5.311 8.446 1.00 0.00 O ATOM 1364 OXT SER A 89 3.570 2.510 6.037 1.00 0.00 O ATOM 0 H SER A 89 2.946 6.279 6.672 1.00 0.00 H new ATOM 0 HA SER A 89 4.619 4.039 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.499 3.515 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.383 4.946 9.492 1.00 0.00 H new ATOM 0 HG SER A 89 1.276 5.108 7.558 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.491 -7.964 -3.716 1.00 0.00 CA