USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 465 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 1 THR OG1 : rot 180:sc= -0.212 USER MOD Set 1.2: A 3 TYR OH : rot 20:sc= 0.0425 USER MOD Single : A 1 THR N :NH3+ 151:sc= 0.258 (180deg=0.0816) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 4 LYS NZ :NH3+ 142:sc= -0.832 (180deg=-3.45!) USER MOD Single : A 8 ASN : amide:sc= -5.21! K(o=-5.2!,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= -0.989 (180deg=-2.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000774 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0825) USER MOD Single : A 35 ASN : amide:sc= 0.251 X(o=0.25,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= -0.687 (180deg=-0.723) USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.7 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 45 TYR OH : rot 15:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.0412 (180deg=-0.367) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.752 -13.952 4.501 1.00 0.00 N ATOM 2 CA THR A 1 4.186 -13.452 3.222 1.00 0.00 C ATOM 3 C THR A 1 4.645 -12.028 2.939 1.00 0.00 C ATOM 4 O THR A 1 4.767 -11.213 3.852 1.00 0.00 O ATOM 5 CB THR A 1 2.661 -13.514 3.308 1.00 0.00 C ATOM 6 OG1 THR A 1 2.218 -13.172 4.610 1.00 0.00 O ATOM 7 CG2 THR A 1 2.096 -14.881 2.974 1.00 0.00 C ATOM 0 H1 THR A 1 4.103 -14.649 4.919 1.00 0.00 H new ATOM 0 H2 THR A 1 5.673 -14.401 4.321 1.00 0.00 H new ATOM 0 H3 THR A 1 4.877 -13.157 5.160 1.00 0.00 H new ATOM 0 HA THR A 1 4.539 -14.077 2.402 1.00 0.00 H new ATOM 0 HB THR A 1 2.301 -12.800 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.240 -13.216 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.009 -14.855 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.378 -15.153 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.494 -15.619 3.670 1.00 0.00 H new ATOM 17 N THR A 2 4.897 -11.738 1.668 1.00 0.00 N ATOM 18 CA THR A 2 5.342 -10.405 1.262 1.00 0.00 C ATOM 19 C THR A 2 4.192 -9.608 0.663 1.00 0.00 C ATOM 20 O THR A 2 3.633 -9.984 -0.368 1.00 0.00 O ATOM 21 CB THR A 2 6.484 -10.511 0.251 1.00 0.00 C ATOM 22 OG1 THR A 2 6.730 -9.268 -0.364 1.00 0.00 O ATOM 23 CG2 THR A 2 6.218 -11.525 -0.845 1.00 0.00 C ATOM 0 H THR A 2 4.802 -12.404 0.901 1.00 0.00 H new ATOM 0 HA THR A 2 5.699 -9.883 2.150 1.00 0.00 H new ATOM 0 HB THR A 2 7.349 -10.839 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.465 -9.360 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.066 -11.552 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.078 -12.511 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.319 -11.242 -1.392 1.00 0.00 H new ATOM 31 N TYR A 3 3.844 -8.503 1.313 1.00 0.00 N ATOM 32 CA TYR A 3 2.759 -7.649 0.842 1.00 0.00 C ATOM 33 C TYR A 3 3.307 -6.407 0.149 1.00 0.00 C ATOM 34 O TYR A 3 4.384 -5.918 0.490 1.00 0.00 O ATOM 35 CB TYR A 3 1.860 -7.244 2.010 1.00 0.00 C ATOM 36 CG TYR A 3 1.090 -8.401 2.609 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.709 -9.301 3.469 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.253 -8.596 2.312 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.010 -10.359 4.016 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.958 -9.652 2.857 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.323 -10.527 3.707 1.00 0.00 C ATOM 42 OH TYR A 3 -1.019 -11.586 4.249 1.00 0.00 O ATOM 0 H TYR A 3 4.297 -8.177 2.167 1.00 0.00 H new ATOM 0 HA TYR A 3 2.170 -8.214 0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.472 -6.784 2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.155 -6.486 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.753 -9.171 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.754 -7.911 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.505 -11.051 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.002 -9.789 2.617 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.547 -11.916 5.042 1.00 0.00 H new ATOM 52 N LYS A 4 2.562 -5.902 -0.831 1.00 0.00 N ATOM 53 CA LYS A 4 2.979 -4.718 -1.576 1.00 0.00 C ATOM 54 C LYS A 4 1.827 -3.734 -1.731 1.00 0.00 C ATOM 55 O LYS A 4 0.662 -4.128 -1.789 1.00 0.00 O ATOM 56 CB LYS A 4 3.518 -5.119 -2.951 1.00 0.00 C ATOM 57 CG LYS A 4 4.770 -5.982 -2.885 1.00 0.00 C ATOM 58 CD LYS A 4 4.573 -7.310 -3.600 1.00 0.00 C ATOM 59 CE LYS A 4 5.238 -8.452 -2.848 1.00 0.00 C ATOM 60 NZ LYS A 4 4.640 -9.770 -3.195 1.00 0.00 N ATOM 0 H LYS A 4 1.668 -6.294 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 4 3.772 -4.227 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.742 -5.660 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.738 -4.218 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.606 -5.446 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.032 -6.165 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.507 -7.514 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.986 -7.247 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.304 -8.465 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.145 -8.283 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.389 -10.490 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.945 -10.038 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.167 -9.704 -4.119 1.00 0.00 H new ATOM 74 N LEU A 5 2.165 -2.450 -1.788 1.00 0.00 N ATOM 75 CA LEU A 5 1.166 -1.403 -1.926 1.00 0.00 C ATOM 76 C LEU A 5 1.536 -0.433 -3.046 1.00 0.00 C ATOM 77 O LEU A 5 2.645 0.100 -3.078 1.00 0.00 O ATOM 78 CB LEU A 5 1.017 -0.656 -0.597 1.00 0.00 C ATOM 79 CG LEU A 5 0.443 0.763 -0.699 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.880 0.752 -1.449 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.262 1.370 0.684 1.00 0.00 C ATOM 0 H LEU A 5 3.126 -2.112 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 5 0.214 -1.864 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.375 -1.243 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.995 -0.600 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 5 1.151 1.377 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.272 1.767 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.725 0.361 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.593 0.120 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.146 2.376 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.424 0.754 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.226 1.416 1.190 1.00 0.00 H new ATOM 93 N ILE A 6 0.596 -0.206 -3.959 1.00 0.00 N ATOM 94 CA ILE A 6 0.816 0.703 -5.077 1.00 0.00 C ATOM 95 C ILE A 6 -0.051 1.951 -4.934 1.00 0.00 C ATOM 96 O ILE A 6 -1.270 1.860 -4.795 1.00 0.00 O ATOM 97 CB ILE A 6 0.520 0.022 -6.434 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.372 -1.239 -6.592 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.784 0.982 -7.587 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.963 -2.366 -5.672 1.00 0.00 C ATOM 0 H ILE A 6 -0.327 -0.640 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 6 1.868 0.988 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.533 -0.259 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.309 -1.583 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.416 -0.988 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.570 0.483 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.143 1.858 -7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.829 1.293 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.611 -3.226 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.053 -2.041 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.071 -2.645 -5.876 1.00 0.00 H new ATOM 112 N LEU A 7 0.588 3.117 -4.960 1.00 0.00 N ATOM 113 CA LEU A 7 -0.123 4.383 -4.825 1.00 0.00 C ATOM 114 C LEU A 7 -0.102 5.171 -6.132 1.00 0.00 C ATOM 115 O LEU A 7 0.952 5.351 -6.744 1.00 0.00 O ATOM 116 CB LEU A 7 0.495 5.222 -3.705 1.00 0.00 C ATOM 117 CG LEU A 7 0.799 4.455 -2.417 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.018 5.043 -1.723 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.405 4.478 -1.487 1.00 0.00 C ATOM 0 H LEU A 7 1.597 3.211 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.160 4.158 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.420 5.667 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.182 6.043 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 7 1.015 3.419 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.220 4.485 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.881 4.978 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.828 6.088 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.171 3.928 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.651 5.510 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.257 4.013 -1.983 1.00 0.00 H new ATOM 131 N ASN A 8 -1.273 5.643 -6.550 1.00 0.00 N ATOM 132 CA ASN A 8 -1.391 6.419 -7.780 1.00 0.00 C ATOM 133 C ASN A 8 -2.103 7.742 -7.514 1.00 0.00 C ATOM 134 O ASN A 8 -3.303 7.767 -7.239 1.00 0.00 O ATOM 135 CB ASN A 8 -2.147 5.634 -8.861 1.00 0.00 C ATOM 136 CG ASN A 8 -1.483 4.310 -9.207 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.097 4.089 -10.355 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.341 3.418 -8.229 1.00 0.00 N ATOM 0 H ASN A 8 -2.153 5.502 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.382 6.621 -8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.165 5.446 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.220 6.244 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.901 2.518 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.673 3.635 -7.289 1.00 0.00 H new ATOM 145 N LEU A 9 -1.356 8.834 -7.595 1.00 0.00 N ATOM 146 CA LEU A 9 -1.916 10.162 -7.361 1.00 0.00 C ATOM 147 C LEU A 9 -1.903 10.992 -8.639 1.00 0.00 C ATOM 148 O LEU A 9 -1.429 10.532 -9.679 1.00 0.00 O ATOM 149 CB LEU A 9 -1.134 10.882 -6.260 1.00 0.00 C ATOM 150 CG LEU A 9 -0.701 9.996 -5.082 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.716 10.343 -4.652 1.00 0.00 C ATOM 152 CD2 LEU A 9 -1.669 10.152 -3.919 1.00 0.00 C ATOM 0 H LEU A 9 -0.361 8.829 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.951 10.041 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.245 11.332 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.746 11.698 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.716 8.955 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.009 9.707 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.399 10.183 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.757 11.388 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.349 9.518 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.683 11.192 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.669 9.857 -4.236 1.00 0.00 H new ATOM 164 N LYS A 10 -2.426 12.213 -8.553 1.00 0.00 N ATOM 165 CA LYS A 10 -2.476 13.100 -9.701 1.00 0.00 C ATOM 166 C LYS A 10 -1.214 13.959 -9.782 1.00 0.00 C ATOM 167 O LYS A 10 -1.285 15.186 -9.883 1.00 0.00 O ATOM 168 CB LYS A 10 -3.713 14.003 -9.623 1.00 0.00 C ATOM 169 CG LYS A 10 -4.075 14.659 -10.947 1.00 0.00 C ATOM 170 CD LYS A 10 -5.526 15.110 -10.962 1.00 0.00 C ATOM 171 CE LYS A 10 -6.156 14.910 -12.330 1.00 0.00 C ATOM 172 NZ LYS A 10 -7.633 15.052 -12.284 1.00 0.00 N ATOM 0 H LYS A 10 -2.820 12.606 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.537 12.485 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.561 13.413 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.539 14.780 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.424 15.516 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.902 13.957 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.090 14.551 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.584 16.162 -10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.743 15.636 -13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.898 13.921 -12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.025 14.909 -13.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.030 14.342 -11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.880 16.005 -11.948 1.00 0.00 H new ATOM 186 N GLN A 11 -0.059 13.300 -9.736 1.00 0.00 N ATOM 187 CA GLN A 11 1.221 14.007 -9.808 1.00 0.00 C ATOM 188 C GLN A 11 2.382 13.010 -9.797 1.00 0.00 C ATOM 189 O GLN A 11 3.361 13.190 -10.528 1.00 0.00 O ATOM 190 CB GLN A 11 1.354 14.978 -8.633 1.00 0.00 C ATOM 191 CG GLN A 11 1.203 16.443 -9.041 1.00 0.00 C ATOM 192 CD GLN A 11 2.427 17.275 -8.703 1.00 0.00 C ATOM 193 OE1 GLN A 11 2.702 17.548 -7.534 1.00 0.00 O ATOM 194 NE2 GLN A 11 3.168 17.671 -9.724 1.00 0.00 N ATOM 0 H GLN A 11 0.019 12.287 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 11 1.253 14.572 -10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.600 14.737 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.327 14.837 -8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.015 16.500 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.332 16.867 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.900 17.420 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.007 18.227 -9.560 1.00 0.00 H new ATOM 203 N ALA A 12 2.269 11.980 -8.974 1.00 0.00 N ATOM 204 CA ALA A 12 3.310 10.965 -8.871 1.00 0.00 C ATOM 205 C ALA A 12 2.766 9.684 -8.259 1.00 0.00 C ATOM 206 O ALA A 12 1.597 9.607 -7.880 1.00 0.00 O ATOM 207 CB ALA A 12 4.481 11.490 -8.053 1.00 0.00 C ATOM 0 H ALA A 12 1.466 11.823 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 12 3.660 10.735 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.251 10.721 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.894 12.375 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.138 11.750 -7.052 1.00 0.00 H new ATOM 213 N LYS A 13 3.622 8.671 -8.162 1.00 0.00 N ATOM 214 CA LYS A 13 3.226 7.383 -7.590 1.00 0.00 C ATOM 215 C LYS A 13 4.329 6.823 -6.702 1.00 0.00 C ATOM 216 O LYS A 13 5.506 7.129 -6.884 1.00 0.00 O ATOM 217 CB LYS A 13 2.896 6.393 -8.706 1.00 0.00 C ATOM 218 CG LYS A 13 4.061 6.118 -9.644 1.00 0.00 C ATOM 219 CD LYS A 13 3.682 6.364 -11.094 1.00 0.00 C ATOM 220 CE LYS A 13 3.827 7.835 -11.465 1.00 0.00 C ATOM 221 NZ LYS A 13 2.742 8.285 -12.377 1.00 0.00 N ATOM 0 H LYS A 13 4.593 8.714 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 13 2.338 7.538 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.570 5.453 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.058 6.779 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.904 6.755 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.390 5.086 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.314 5.759 -11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.654 6.045 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.815 8.441 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.793 7.996 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.876 9.291 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.769 7.724 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.821 8.156 -11.911 1.00 0.00 H new ATOM 235 N GLU A 14 3.937 5.996 -5.738 1.00 0.00 N ATOM 236 CA GLU A 14 4.890 5.384 -4.819 1.00 0.00 C ATOM 237 C GLU A 14 4.470 3.961 -4.471 1.00 0.00 C ATOM 238 O GLU A 14 3.283 3.676 -4.306 1.00 0.00 O ATOM 239 CB GLU A 14 5.011 6.225 -3.544 1.00 0.00 C ATOM 240 CG GLU A 14 6.403 6.795 -3.324 1.00 0.00 C ATOM 241 CD GLU A 14 7.462 5.717 -3.205 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.233 4.737 -2.467 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.522 5.854 -3.853 1.00 0.00 O ATOM 0 H GLU A 14 2.965 5.734 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 14 5.862 5.344 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.294 7.045 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.739 5.611 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.655 7.457 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.404 7.402 -2.419 1.00 0.00 H new ATOM 250 N GLU A 15 5.448 3.065 -4.364 1.00 0.00 N ATOM 251 CA GLU A 15 5.172 1.671 -4.040 1.00 0.00 C ATOM 252 C GLU A 15 5.811 1.271 -2.716 1.00 0.00 C ATOM 253 O GLU A 15 7.016 1.433 -2.519 1.00 0.00 O ATOM 254 CB GLU A 15 5.681 0.754 -5.153 1.00 0.00 C ATOM 255 CG GLU A 15 4.876 0.850 -6.437 1.00 0.00 C ATOM 256 CD GLU A 15 5.306 -0.168 -7.473 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.474 -0.606 -7.425 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.474 -0.528 -8.334 1.00 0.00 O ATOM 0 H GLU A 15 6.436 3.280 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 15 4.091 1.563 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.721 1.000 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.663 -0.277 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.819 0.708 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.981 1.852 -6.853 1.00 0.00 H new ATOM 265 N ALA A 16 4.996 0.730 -1.818 1.00 0.00 N ATOM 266 CA ALA A 16 5.475 0.284 -0.517 1.00 0.00 C ATOM 267 C ALA A 16 5.454 -1.238 -0.443 1.00 0.00 C ATOM 268 O ALA A 16 4.530 -1.874 -0.950 1.00 0.00 O ATOM 269 CB ALA A 16 4.630 0.886 0.595 1.00 0.00 C ATOM 0 H ALA A 16 3.997 0.590 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 16 6.503 0.623 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.001 0.543 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.690 1.973 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.593 0.574 0.473 1.00 0.00 H new ATOM 275 N ILE A 17 6.470 -1.821 0.178 1.00 0.00 N ATOM 276 CA ILE A 17 6.545 -3.272 0.295 1.00 0.00 C ATOM 277 C ILE A 17 7.316 -3.701 1.536 1.00 0.00 C ATOM 278 O ILE A 17 8.221 -3.004 1.994 1.00 0.00 O ATOM 279 CB ILE A 17 7.176 -3.915 -0.964 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.679 -3.622 -1.051 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.469 -3.417 -2.219 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.438 -4.618 -1.903 1.00 0.00 C ATOM 0 H ILE A 17 7.248 -1.318 0.605 1.00 0.00 H new ATOM 0 HA ILE A 17 5.519 -3.627 0.388 1.00 0.00 H new ATOM 0 HB ILE A 17 7.050 -4.995 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.824 -2.622 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.100 -3.620 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.922 -3.876 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.413 -3.685 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.566 -2.333 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.495 -4.351 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.324 -5.617 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.043 -4.604 -2.919 1.00 0.00 H new ATOM 294 N LYS A 18 6.937 -4.851 2.079 1.00 0.00 N ATOM 295 CA LYS A 18 7.575 -5.381 3.274 1.00 0.00 C ATOM 296 C LYS A 18 7.141 -6.825 3.519 1.00 0.00 C ATOM 297 O LYS A 18 6.049 -7.229 3.121 1.00 0.00 O ATOM 298 CB LYS A 18 7.220 -4.498 4.476 1.00 0.00 C ATOM 299 CG LYS A 18 7.466 -5.150 5.834 1.00 0.00 C ATOM 300 CD LYS A 18 6.254 -5.927 6.337 1.00 0.00 C ATOM 301 CE LYS A 18 5.012 -5.052 6.415 1.00 0.00 C ATOM 302 NZ LYS A 18 5.281 -3.760 7.102 1.00 0.00 N ATOM 0 H LYS A 18 6.188 -5.435 1.708 1.00 0.00 H new ATOM 0 HA LYS A 18 8.656 -5.375 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.800 -3.577 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.169 -4.217 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.320 -5.823 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.728 -4.381 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.063 -6.771 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.470 -6.339 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.643 -4.857 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.224 -5.587 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.526 -3.569 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.195 -3.813 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.311 -2.993 6.400 1.00 0.00 H new ATOM 316 N GLU A 19 8.001 -7.598 4.176 1.00 0.00 N ATOM 317 CA GLU A 19 7.700 -8.993 4.474 1.00 0.00 C ATOM 318 C GLU A 19 7.358 -9.167 5.950 1.00 0.00 C ATOM 319 O GLU A 19 8.207 -8.978 6.821 1.00 0.00 O ATOM 320 CB GLU A 19 8.879 -9.880 4.098 1.00 0.00 C ATOM 321 CG GLU A 19 8.581 -11.360 4.209 1.00 0.00 C ATOM 322 CD GLU A 19 9.495 -12.208 3.341 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.686 -11.850 2.158 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.026 -13.226 3.843 1.00 0.00 O ATOM 0 H GLU A 19 8.911 -7.282 4.512 1.00 0.00 H new ATOM 0 HA GLU A 19 6.834 -9.291 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.182 -9.654 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.725 -9.639 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.683 -11.670 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.545 -11.540 3.923 1.00 0.00 H new ATOM 331 N ALA A 20 6.111 -9.533 6.222 1.00 0.00 N ATOM 332 CA ALA A 20 5.657 -9.742 7.594 1.00 0.00 C ATOM 333 C ALA A 20 5.309 -11.207 7.847 1.00 0.00 C ATOM 334 O ALA A 20 5.212 -12.002 6.913 1.00 0.00 O ATOM 335 CB ALA A 20 4.459 -8.854 7.890 1.00 0.00 C ATOM 0 H ALA A 20 5.396 -9.691 5.512 1.00 0.00 H new ATOM 0 HA ALA A 20 6.473 -9.473 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.129 -9.018 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.741 -7.809 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.647 -9.097 7.204 1.00 0.00 H new ATOM 341 N VAL A 21 5.128 -11.550 9.116 1.00 0.00 N ATOM 342 CA VAL A 21 4.797 -12.923 9.494 1.00 0.00 C ATOM 343 C VAL A 21 3.288 -13.132 9.603 1.00 0.00 C ATOM 344 O VAL A 21 2.833 -14.071 10.260 1.00 0.00 O ATOM 345 CB VAL A 21 5.454 -13.310 10.833 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.967 -13.349 10.696 1.00 0.00 C ATOM 347 CG2 VAL A 21 5.033 -12.343 11.934 1.00 0.00 C ATOM 0 H VAL A 21 5.204 -10.902 9.900 1.00 0.00 H new ATOM 0 HA VAL A 21 5.186 -13.563 8.702 1.00 0.00 H new ATOM 0 HB VAL A 21 5.114 -14.308 11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.412 -13.624 11.652 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.245 -14.085 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.331 -12.366 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.506 -12.632 12.872 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.341 -11.332 11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.950 -12.373 12.050 1.00 0.00 H new ATOM 357 N ASP A 22 2.512 -12.259 8.960 1.00 0.00 N ATOM 358 CA ASP A 22 1.058 -12.370 8.997 1.00 0.00 C ATOM 359 C ASP A 22 0.412 -11.400 7.999 1.00 0.00 C ATOM 360 O ASP A 22 0.143 -11.779 6.858 1.00 0.00 O ATOM 361 CB ASP A 22 0.547 -12.102 10.411 1.00 0.00 C ATOM 362 CG ASP A 22 0.356 -13.373 11.211 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.148 -14.359 10.639 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.711 -13.382 12.408 1.00 0.00 O ATOM 0 H ASP A 22 2.864 -11.474 8.412 1.00 0.00 H new ATOM 0 HA ASP A 22 0.781 -13.384 8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.251 -11.452 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.400 -11.566 10.356 1.00 0.00 H new ATOM 369 N ALA A 23 0.172 -10.163 8.432 1.00 0.00 N ATOM 370 CA ALA A 23 -0.430 -9.161 7.571 1.00 0.00 C ATOM 371 C ALA A 23 -0.776 -7.904 8.357 1.00 0.00 C ATOM 372 O ALA A 23 -0.635 -6.789 7.862 1.00 0.00 O ATOM 373 CB ALA A 23 -1.676 -9.712 6.895 1.00 0.00 C ATOM 0 H ALA A 23 0.387 -9.836 9.374 1.00 0.00 H new ATOM 0 HA ALA A 23 0.299 -8.899 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.112 -8.945 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.409 -10.580 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.401 -10.006 7.653 1.00 0.00 H new ATOM 379 N GLY A 24 -1.248 -8.088 9.591 1.00 0.00 N ATOM 380 CA GLY A 24 -1.602 -6.953 10.424 1.00 0.00 C ATOM 381 C GLY A 24 -0.524 -5.895 10.453 1.00 0.00 C ATOM 382 O GLY A 24 -0.804 -4.707 10.615 1.00 0.00 O ATOM 0 H GLY A 24 -1.390 -9.000 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.529 -6.512 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.794 -7.298 11.440 1.00 0.00 H new ATOM 386 N THR A 25 0.720 -6.333 10.282 1.00 0.00 N ATOM 387 CA THR A 25 1.857 -5.424 10.276 1.00 0.00 C ATOM 388 C THR A 25 1.996 -4.749 8.917 1.00 0.00 C ATOM 389 O THR A 25 2.509 -3.635 8.818 1.00 0.00 O ATOM 390 CB THR A 25 3.143 -6.177 10.622 1.00 0.00 C ATOM 391 OG1 THR A 25 2.861 -7.314 11.419 1.00 0.00 O ATOM 392 CG2 THR A 25 4.148 -5.330 11.372 1.00 0.00 C ATOM 0 H THR A 25 0.964 -7.314 10.146 1.00 0.00 H new ATOM 0 HA THR A 25 1.685 -4.656 11.030 1.00 0.00 H new ATOM 0 HB THR A 25 3.576 -6.464 9.664 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.696 -7.782 11.628 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.036 -5.924 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.425 -4.469 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.707 -4.986 12.308 1.00 0.00 H new ATOM 400 N ALA A 26 1.533 -5.428 7.871 1.00 0.00 N ATOM 401 CA ALA A 26 1.601 -4.884 6.522 1.00 0.00 C ATOM 402 C ALA A 26 0.544 -3.805 6.327 1.00 0.00 C ATOM 403 O ALA A 26 0.799 -2.778 5.698 1.00 0.00 O ATOM 404 CB ALA A 26 1.430 -5.993 5.494 1.00 0.00 C ATOM 0 H ALA A 26 1.108 -6.353 7.933 1.00 0.00 H new ATOM 0 HA ALA A 26 2.582 -4.431 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.483 -5.570 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.222 -6.731 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.462 -6.473 5.635 1.00 0.00 H new ATOM 410 N GLU A 27 -0.642 -4.044 6.878 1.00 0.00 N ATOM 411 CA GLU A 27 -1.736 -3.090 6.772 1.00 0.00 C ATOM 412 C GLU A 27 -1.431 -1.836 7.583 1.00 0.00 C ATOM 413 O GLU A 27 -1.354 -0.733 7.038 1.00 0.00 O ATOM 414 CB GLU A 27 -3.045 -3.722 7.262 1.00 0.00 C ATOM 415 CG GLU A 27 -4.241 -2.787 7.184 1.00 0.00 C ATOM 416 CD GLU A 27 -5.527 -3.518 6.878 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.675 -4.013 5.742 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.389 -3.597 7.779 1.00 0.00 O ATOM 0 H GLU A 27 -0.868 -4.890 7.402 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.848 -2.812 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.252 -4.613 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.917 -4.048 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.345 -2.256 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.062 -2.036 6.415 1.00 0.00 H new ATOM 425 N LYS A 28 -1.240 -2.010 8.888 1.00 0.00 N ATOM 426 CA LYS A 28 -0.943 -0.890 9.777 1.00 0.00 C ATOM 427 C LYS A 28 0.280 -0.120 9.288 1.00 0.00 C ATOM 428 O LYS A 28 0.322 1.109 9.365 1.00 0.00 O ATOM 429 CB LYS A 28 -0.701 -1.392 11.203 1.00 0.00 C ATOM 430 CG LYS A 28 -1.965 -1.447 12.047 1.00 0.00 C ATOM 431 CD LYS A 28 -2.185 -0.152 12.813 1.00 0.00 C ATOM 432 CE LYS A 28 -3.379 -0.249 13.747 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.134 0.449 15.040 1.00 0.00 N ATOM 0 H LYS A 28 -1.286 -2.916 9.354 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.802 -0.220 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.258 -2.387 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.025 -0.741 11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.824 -1.640 11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.898 -2.278 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.291 0.087 13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.339 0.666 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.255 0.183 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.605 -1.298 13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.973 0.359 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.314 0.021 15.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.943 1.456 14.860 1.00 0.00 H new ATOM 447 N TYR A 29 1.271 -0.845 8.775 1.00 0.00 N ATOM 448 CA TYR A 29 2.487 -0.214 8.266 1.00 0.00 C ATOM 449 C TYR A 29 2.197 0.489 6.946 1.00 0.00 C ATOM 450 O TYR A 29 2.627 1.622 6.726 1.00 0.00 O ATOM 451 CB TYR A 29 3.606 -1.245 8.082 1.00 0.00 C ATOM 452 CG TYR A 29 4.890 -0.659 7.534 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.985 -0.258 6.207 1.00 0.00 C ATOM 454 CD2 TYR A 29 6.006 -0.507 8.346 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.156 0.277 5.706 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.182 0.028 7.851 1.00 0.00 C ATOM 457 CZ TYR A 29 7.251 0.418 6.531 1.00 0.00 C ATOM 458 OH TYR A 29 8.419 0.950 6.036 1.00 0.00 O ATOM 0 H TYR A 29 1.257 -1.862 8.701 1.00 0.00 H new ATOM 0 HA TYR A 29 2.822 0.522 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.814 -1.718 9.042 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.259 -2.029 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.130 -0.366 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.955 -0.811 9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.213 0.584 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.041 0.139 8.496 1.00 0.00 H new ATOM 0 HH TYR A 29 9.092 0.981 6.748 1.00 0.00 H new ATOM 468 N PHE A 30 1.450 -0.184 6.074 1.00 0.00 N ATOM 469 CA PHE A 30 1.087 0.390 4.786 1.00 0.00 C ATOM 470 C PHE A 30 0.243 1.639 5.004 1.00 0.00 C ATOM 471 O PHE A 30 0.425 2.655 4.334 1.00 0.00 O ATOM 472 CB PHE A 30 0.315 -0.631 3.935 1.00 0.00 C ATOM 473 CG PHE A 30 1.189 -1.577 3.153 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.558 -1.639 3.370 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.630 -2.412 2.198 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.351 -2.514 2.649 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.418 -3.288 1.473 1.00 0.00 C ATOM 478 CZ PHE A 30 2.779 -3.338 1.699 1.00 0.00 C ATOM 0 H PHE A 30 1.087 -1.123 6.237 1.00 0.00 H new ATOM 0 HA PHE A 30 1.998 0.659 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.335 -1.213 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.330 -0.093 3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.010 -0.996 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.434 -2.378 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.415 -2.553 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.969 -3.932 0.731 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.396 -4.021 1.134 1.00 0.00 H new ATOM 488 N LYS A 31 -0.679 1.551 5.959 1.00 0.00 N ATOM 489 CA LYS A 31 -1.548 2.669 6.285 1.00 0.00 C ATOM 490 C LYS A 31 -0.747 3.892 6.731 1.00 0.00 C ATOM 491 O LYS A 31 -1.145 5.029 6.479 1.00 0.00 O ATOM 492 CB LYS A 31 -2.535 2.259 7.385 1.00 0.00 C ATOM 493 CG LYS A 31 -3.838 3.036 7.355 1.00 0.00 C ATOM 494 CD LYS A 31 -4.192 3.582 8.728 1.00 0.00 C ATOM 495 CE LYS A 31 -5.690 3.796 8.872 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.427 2.507 9.028 1.00 0.00 N ATOM 0 H LYS A 31 -0.841 0.714 6.519 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.098 2.941 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.754 1.196 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.061 2.399 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.756 3.859 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.641 2.389 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.847 2.890 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.671 4.525 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.884 4.431 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.066 4.325 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.395 2.698 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.463 2.015 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.937 1.909 9.724 1.00 0.00 H new ATOM 510 N LEU A 32 0.384 3.655 7.398 1.00 0.00 N ATOM 511 CA LEU A 32 1.230 4.739 7.879 1.00 0.00 C ATOM 512 C LEU A 32 1.951 5.437 6.726 1.00 0.00 C ATOM 513 O LEU A 32 2.104 6.660 6.730 1.00 0.00 O ATOM 514 CB LEU A 32 2.248 4.201 8.889 1.00 0.00 C ATOM 515 CG LEU A 32 1.671 3.714 10.228 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.318 4.460 11.379 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.156 3.877 10.283 1.00 0.00 C ATOM 0 H LEU A 32 0.732 2.721 7.615 1.00 0.00 H new ATOM 0 HA LEU A 32 0.591 5.474 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.788 3.375 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.977 4.985 9.093 1.00 0.00 H new ATOM 0 HG LEU A 32 1.894 2.651 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.901 4.106 12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.393 4.283 11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.125 5.528 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.213 3.522 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.101 4.929 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.302 3.297 9.482 1.00 0.00 H new ATOM 529 N ILE A 33 2.392 4.659 5.739 1.00 0.00 N ATOM 530 CA ILE A 33 3.093 5.215 4.588 1.00 0.00 C ATOM 531 C ILE A 33 2.114 5.839 3.601 1.00 0.00 C ATOM 532 O ILE A 33 2.419 6.843 2.959 1.00 0.00 O ATOM 533 CB ILE A 33 3.934 4.142 3.866 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.751 4.772 2.736 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.041 3.034 3.330 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.936 5.577 3.224 1.00 0.00 C ATOM 0 H ILE A 33 2.276 3.646 5.715 1.00 0.00 H new ATOM 0 HA ILE A 33 3.762 5.988 4.966 1.00 0.00 H new ATOM 0 HB ILE A 33 4.626 3.704 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.106 3.984 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.102 5.418 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.652 2.287 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.506 2.566 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.324 3.454 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.469 5.994 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.587 6.387 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.607 4.931 3.790 1.00 0.00 H new ATOM 548 N ALA A 34 0.935 5.240 3.489 1.00 0.00 N ATOM 549 CA ALA A 34 -0.091 5.741 2.584 1.00 0.00 C ATOM 550 C ALA A 34 -0.712 7.023 3.127 1.00 0.00 C ATOM 551 O ALA A 34 -0.626 8.077 2.501 1.00 0.00 O ATOM 552 CB ALA A 34 -1.162 4.683 2.364 1.00 0.00 C ATOM 0 H ALA A 34 0.666 4.407 4.013 1.00 0.00 H new ATOM 0 HA ALA A 34 0.377 5.969 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.922 5.070 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.709 3.792 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.623 4.428 3.318 1.00 0.00 H new ATOM 558 N ASN A 35 -1.336 6.924 4.295 1.00 0.00 N ATOM 559 CA ASN A 35 -1.972 8.077 4.922 1.00 0.00 C ATOM 560 C ASN A 35 -0.983 9.227 5.113 1.00 0.00 C ATOM 561 O ASN A 35 -1.375 10.394 5.137 1.00 0.00 O ATOM 562 CB ASN A 35 -2.568 7.678 6.273 1.00 0.00 C ATOM 563 CG ASN A 35 -3.896 8.357 6.543 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.796 7.761 7.135 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.030 9.609 6.112 1.00 0.00 N ATOM 0 H ASN A 35 -1.415 6.057 4.827 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.767 8.420 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.704 6.597 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.865 7.933 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.904 10.111 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.259 10.066 5.625 1.00 0.00 H new ATOM 572 N ALA A 36 0.299 8.894 5.252 1.00 0.00 N ATOM 573 CA ALA A 36 1.332 9.907 5.447 1.00 0.00 C ATOM 574 C ALA A 36 1.860 10.441 4.116 1.00 0.00 C ATOM 575 O ALA A 36 2.487 11.500 4.070 1.00 0.00 O ATOM 576 CB ALA A 36 2.472 9.339 6.277 1.00 0.00 C ATOM 0 H ALA A 36 0.645 7.935 5.233 1.00 0.00 H new ATOM 0 HA ALA A 36 0.880 10.743 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.237 10.103 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.093 9.024 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.905 8.482 5.762 1.00 0.00 H new ATOM 582 N LYS A 37 1.614 9.704 3.036 1.00 0.00 N ATOM 583 CA LYS A 37 2.079 10.113 1.713 1.00 0.00 C ATOM 584 C LYS A 37 0.937 10.689 0.880 1.00 0.00 C ATOM 585 O LYS A 37 1.153 11.547 0.029 1.00 0.00 O ATOM 586 CB LYS A 37 2.707 8.925 0.983 1.00 0.00 C ATOM 587 CG LYS A 37 4.063 8.518 1.538 1.00 0.00 C ATOM 588 CD LYS A 37 5.200 9.144 0.746 1.00 0.00 C ATOM 589 CE LYS A 37 5.138 10.661 0.780 1.00 0.00 C ATOM 590 NZ LYS A 37 5.293 11.191 2.163 1.00 0.00 N ATOM 0 H LYS A 37 1.098 8.824 3.050 1.00 0.00 H new ATOM 0 HA LYS A 37 2.830 10.891 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.029 8.073 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.815 9.174 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.136 8.821 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.156 7.432 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.154 8.809 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.156 8.801 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.922 11.071 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.186 10.995 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.228 12.229 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.540 10.807 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.220 10.908 2.541 1.00 0.00 H new ATOM 604 N THR A 38 -0.275 10.206 1.127 1.00 0.00 N ATOM 605 CA THR A 38 -1.447 10.673 0.396 1.00 0.00 C ATOM 606 C THR A 38 -2.704 10.568 1.255 1.00 0.00 C ATOM 607 O THR A 38 -2.663 10.038 2.365 1.00 0.00 O ATOM 608 CB THR A 38 -1.624 9.867 -0.888 1.00 0.00 C ATOM 609 OG1 THR A 38 -2.890 10.116 -1.470 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.503 8.380 -0.669 1.00 0.00 C ATOM 0 H THR A 38 -0.472 9.491 1.828 1.00 0.00 H new ATOM 0 HA THR A 38 -1.292 11.721 0.141 1.00 0.00 H new ATOM 0 HB THR A 38 -0.821 10.192 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.260 9.278 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.638 7.860 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.516 8.151 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.267 8.053 0.036 1.00 0.00 H new ATOM 618 N VAL A 39 -3.815 11.075 0.734 1.00 0.00 N ATOM 619 CA VAL A 39 -5.083 11.036 1.455 1.00 0.00 C ATOM 620 C VAL A 39 -6.257 11.014 0.489 1.00 0.00 C ATOM 621 O VAL A 39 -7.224 11.757 0.656 1.00 0.00 O ATOM 622 CB VAL A 39 -5.226 12.245 2.401 1.00 0.00 C ATOM 623 CG1 VAL A 39 -6.451 12.095 3.279 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.972 12.411 3.248 1.00 0.00 C ATOM 0 H VAL A 39 -3.864 11.517 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.088 10.121 2.048 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.351 13.143 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.534 12.959 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.341 12.030 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.361 11.188 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.091 13.269 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.814 11.512 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.112 12.571 2.598 1.00 0.00 H new ATOM 634 N GLU A 40 -6.182 10.153 -0.519 1.00 0.00 N ATOM 635 CA GLU A 40 -7.240 10.035 -1.512 1.00 0.00 C ATOM 636 C GLU A 40 -6.919 8.945 -2.530 1.00 0.00 C ATOM 637 O GLU A 40 -5.939 9.034 -3.259 1.00 0.00 O ATOM 638 CB GLU A 40 -7.449 11.372 -2.228 1.00 0.00 C ATOM 639 CG GLU A 40 -8.748 12.066 -1.846 1.00 0.00 C ATOM 640 CD GLU A 40 -9.325 12.881 -2.982 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.614 12.303 -4.050 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.481 14.109 -2.811 1.00 0.00 O ATOM 0 H GLU A 40 -5.394 9.523 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.158 9.760 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.612 12.032 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.438 11.204 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.477 11.319 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.570 12.717 -0.990 1.00 0.00 H new ATOM 649 N GLY A 41 -7.765 7.916 -2.574 1.00 0.00 N ATOM 650 CA GLY A 41 -7.548 6.827 -3.512 1.00 0.00 C ATOM 651 C GLY A 41 -8.462 5.643 -3.245 1.00 0.00 C ATOM 652 O GLY A 41 -9.164 5.609 -2.238 1.00 0.00 O ATOM 0 H GLY A 41 -8.590 7.818 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.712 7.187 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.509 6.502 -3.453 1.00 0.00 H new ATOM 656 N VAL A 42 -8.432 4.664 -4.147 1.00 0.00 N ATOM 657 CA VAL A 42 -9.252 3.470 -3.998 1.00 0.00 C ATOM 658 C VAL A 42 -8.412 2.304 -3.504 1.00 0.00 C ATOM 659 O VAL A 42 -7.530 1.812 -4.209 1.00 0.00 O ATOM 660 CB VAL A 42 -9.958 3.078 -5.315 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.085 4.054 -5.627 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.964 3.012 -6.469 1.00 0.00 C ATOM 0 H VAL A 42 -7.850 4.676 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.021 3.705 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.389 2.085 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.571 3.763 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.814 4.039 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.677 5.060 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.487 2.734 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.495 3.987 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.199 2.268 -6.248 1.00 0.00 H new ATOM 672 N TRP A 43 -8.688 1.889 -2.275 1.00 0.00 N ATOM 673 CA TRP A 43 -7.981 0.807 -1.632 1.00 0.00 C ATOM 674 C TRP A 43 -8.356 -0.546 -2.234 1.00 0.00 C ATOM 675 O TRP A 43 -9.297 -1.193 -1.772 1.00 0.00 O ATOM 676 CB TRP A 43 -8.322 0.835 -0.151 1.00 0.00 C ATOM 677 CG TRP A 43 -7.326 1.577 0.701 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.255 2.934 0.871 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.269 1.018 1.503 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.232 3.251 1.723 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.606 2.101 2.122 1.00 0.00 C ATOM 682 CE3 TRP A 43 -5.814 -0.284 1.760 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.528 1.929 2.977 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -4.713 -0.451 2.623 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.091 0.656 3.214 1.00 0.00 C ATOM 0 H TRP A 43 -9.418 2.303 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.909 0.938 -1.783 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.303 1.293 -0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.400 -0.190 0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.912 3.651 0.400 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.977 4.195 2.014 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.296 -1.138 1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.047 2.777 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.344 -1.444 2.831 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.248 0.500 3.871 1.00 0.00 H new ATOM 696 N THR A 44 -7.627 -0.972 -3.253 1.00 0.00 N ATOM 697 CA THR A 44 -7.886 -2.253 -3.901 1.00 0.00 C ATOM 698 C THR A 44 -6.812 -3.266 -3.530 1.00 0.00 C ATOM 699 O THR A 44 -5.681 -2.888 -3.222 1.00 0.00 O ATOM 700 CB THR A 44 -7.947 -2.081 -5.420 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.996 -1.127 -5.854 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.307 -1.635 -5.918 1.00 0.00 C ATOM 0 H THR A 44 -6.848 -0.449 -3.652 1.00 0.00 H new ATOM 0 HA THR A 44 -8.850 -2.625 -3.553 1.00 0.00 H new ATOM 0 HB THR A 44 -7.733 -3.067 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.049 -1.032 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.281 -1.532 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.057 -2.376 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.562 -0.675 -5.469 1.00 0.00 H new ATOM 710 N TYR A 45 -7.154 -4.549 -3.565 1.00 0.00 N ATOM 711 CA TYR A 45 -6.192 -5.600 -3.233 1.00 0.00 C ATOM 712 C TYR A 45 -6.394 -6.827 -4.116 1.00 0.00 C ATOM 713 O TYR A 45 -7.515 -7.164 -4.491 1.00 0.00 O ATOM 714 CB TYR A 45 -6.296 -5.980 -1.743 1.00 0.00 C ATOM 715 CG TYR A 45 -5.752 -7.356 -1.413 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.533 -8.492 -1.600 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.468 -7.517 -0.908 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.048 -9.749 -1.293 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.972 -8.769 -0.601 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.768 -9.881 -0.794 1.00 0.00 C ATOM 721 OH TYR A 45 -4.282 -11.132 -0.486 1.00 0.00 O ATOM 0 H TYR A 45 -8.082 -4.888 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.191 -5.212 -3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.759 -5.238 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.342 -5.933 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.534 -8.390 -1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.846 -6.648 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.666 -10.622 -1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.970 -8.878 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.856 -11.815 -0.892 1.00 0.00 H new ATOM 731 N LYS A 46 -5.289 -7.493 -4.440 1.00 0.00 N ATOM 732 CA LYS A 46 -5.326 -8.688 -5.277 1.00 0.00 C ATOM 733 C LYS A 46 -4.749 -9.888 -4.536 1.00 0.00 C ATOM 734 O LYS A 46 -3.754 -9.764 -3.814 1.00 0.00 O ATOM 735 CB LYS A 46 -4.555 -8.454 -6.579 1.00 0.00 C ATOM 736 CG LYS A 46 -4.948 -9.407 -7.692 1.00 0.00 C ATOM 737 CD LYS A 46 -3.797 -9.661 -8.640 1.00 0.00 C ATOM 738 CE LYS A 46 -3.766 -8.634 -9.757 1.00 0.00 C ATOM 739 NZ LYS A 46 -4.921 -8.792 -10.693 1.00 0.00 N ATOM 0 H LYS A 46 -4.354 -7.224 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.368 -8.899 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.722 -7.430 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.487 -8.556 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.281 -10.352 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.791 -8.993 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.857 -9.632 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.887 -10.661 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.780 -7.632 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.833 -8.730 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.682 -8.372 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.131 -9.803 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.755 -8.311 -10.300 1.00 0.00 H new ATOM 753 N ASP A 47 -5.372 -11.047 -4.721 1.00 0.00 N ATOM 754 CA ASP A 47 -4.932 -12.268 -4.072 1.00 0.00 C ATOM 755 C ASP A 47 -3.869 -12.981 -4.915 1.00 0.00 C ATOM 756 O ASP A 47 -3.597 -12.574 -6.041 1.00 0.00 O ATOM 757 CB ASP A 47 -6.115 -13.211 -3.834 1.00 0.00 C ATOM 758 CG ASP A 47 -7.059 -12.685 -2.771 1.00 0.00 C ATOM 759 OD1 ASP A 47 -7.804 -11.731 -3.059 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.051 -13.229 -1.651 1.00 0.00 O ATOM 0 H ASP A 47 -6.189 -11.162 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.496 -11.995 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.661 -13.349 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.743 -14.191 -3.535 1.00 0.00 H new ATOM 765 N GLU A 48 -3.279 -14.032 -4.344 1.00 0.00 N ATOM 766 CA GLU A 48 -2.231 -14.813 -5.021 1.00 0.00 C ATOM 767 C GLU A 48 -0.856 -14.187 -4.817 1.00 0.00 C ATOM 768 O GLU A 48 0.150 -14.888 -4.715 1.00 0.00 O ATOM 769 CB GLU A 48 -2.522 -14.944 -6.528 1.00 0.00 C ATOM 770 CG GLU A 48 -3.952 -15.339 -6.841 1.00 0.00 C ATOM 771 CD GLU A 48 -4.114 -16.823 -7.084 1.00 0.00 C ATOM 772 OE1 GLU A 48 -3.714 -17.620 -6.213 1.00 0.00 O ATOM 773 OE2 GLU A 48 -4.634 -17.185 -8.164 1.00 0.00 O ATOM 0 H GLU A 48 -3.508 -14.367 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.232 -15.807 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.302 -13.994 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.848 -15.686 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.596 -15.039 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.290 -14.793 -7.722 1.00 0.00 H new ATOM 780 N ILE A 49 -0.818 -12.857 -4.751 1.00 0.00 N ATOM 781 CA ILE A 49 0.435 -12.135 -4.549 1.00 0.00 C ATOM 782 C ILE A 49 0.378 -11.271 -3.296 1.00 0.00 C ATOM 783 O ILE A 49 1.411 -10.839 -2.783 1.00 0.00 O ATOM 784 CB ILE A 49 0.780 -11.256 -5.760 1.00 0.00 C ATOM 785 CG1 ILE A 49 0.576 -12.024 -7.062 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.210 -10.748 -5.652 1.00 0.00 C ATOM 787 CD1 ILE A 49 -0.419 -11.377 -7.995 1.00 0.00 C ATOM 0 H ILE A 49 -1.640 -12.259 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 49 1.216 -12.886 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 49 0.108 -10.398 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.534 -12.117 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.240 -13.034 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.442 -10.126 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.319 -10.158 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.896 -11.595 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.513 -11.978 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.389 -11.309 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.074 -10.377 -8.258 1.00 0.00 H new ATOM 799 N LYS A 50 -0.834 -11.014 -2.804 1.00 0.00 N ATOM 800 CA LYS A 50 -1.018 -10.193 -1.614 1.00 0.00 C ATOM 801 C LYS A 50 -0.513 -8.775 -1.851 1.00 0.00 C ATOM 802 O LYS A 50 0.593 -8.422 -1.435 1.00 0.00 O ATOM 803 CB LYS A 50 -0.289 -10.814 -0.420 1.00 0.00 C ATOM 804 CG LYS A 50 -0.539 -12.302 -0.266 1.00 0.00 C ATOM 805 CD LYS A 50 -1.423 -12.603 0.935 1.00 0.00 C ATOM 806 CE LYS A 50 -2.356 -13.764 0.660 1.00 0.00 C ATOM 807 NZ LYS A 50 -2.723 -14.491 1.910 1.00 0.00 N ATOM 0 H LYS A 50 -1.701 -11.364 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.085 -10.149 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.782 -10.643 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.602 -10.305 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.010 -12.687 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.413 -12.821 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.799 -12.833 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.007 -11.718 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.260 -13.396 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.880 -14.455 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.362 -15.278 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.863 -14.864 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.200 -13.838 2.564 1.00 0.00 H new ATOM 821 N THR A 51 -1.321 -7.962 -2.525 1.00 0.00 N ATOM 822 CA THR A 51 -0.932 -6.586 -2.811 1.00 0.00 C ATOM 823 C THR A 51 -2.139 -5.659 -2.863 1.00 0.00 C ATOM 824 O THR A 51 -3.177 -6.000 -3.431 1.00 0.00 O ATOM 825 CB THR A 51 -0.161 -6.518 -4.133 1.00 0.00 C ATOM 826 OG1 THR A 51 1.022 -7.294 -4.060 1.00 0.00 O ATOM 827 CG2 THR A 51 0.237 -5.113 -4.530 1.00 0.00 C ATOM 0 H THR A 51 -2.239 -8.229 -2.880 1.00 0.00 H new ATOM 0 HA THR A 51 -0.288 -6.249 -1.999 1.00 0.00 H new ATOM 0 HB THR A 51 -0.847 -6.906 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.501 -7.241 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.779 -5.142 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.657 -4.500 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.876 -4.684 -3.758 1.00 0.00 H new ATOM 835 N PHE A 52 -1.984 -4.479 -2.272 1.00 0.00 N ATOM 836 CA PHE A 52 -3.046 -3.482 -2.250 1.00 0.00 C ATOM 837 C PHE A 52 -2.634 -2.248 -3.043 1.00 0.00 C ATOM 838 O PHE A 52 -1.450 -2.016 -3.272 1.00 0.00 O ATOM 839 CB PHE A 52 -3.381 -3.076 -0.812 1.00 0.00 C ATOM 840 CG PHE A 52 -3.187 -4.169 0.202 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.923 -4.594 0.555 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.279 -4.770 0.809 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.743 -5.596 1.489 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.114 -5.775 1.746 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.832 -6.187 2.082 1.00 0.00 C ATOM 0 H PHE A 52 -1.128 -4.189 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.931 -3.925 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.760 -2.224 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.418 -2.741 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.060 -4.136 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.276 -4.448 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.745 -5.915 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.974 -6.234 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.691 -6.972 2.810 1.00 0.00 H new ATOM 855 N THR A 53 -3.612 -1.457 -3.462 1.00 0.00 N ATOM 856 CA THR A 53 -3.330 -0.248 -4.223 1.00 0.00 C ATOM 857 C THR A 53 -4.337 0.847 -3.907 1.00 0.00 C ATOM 858 O THR A 53 -5.500 0.565 -3.611 1.00 0.00 O ATOM 859 CB THR A 53 -3.331 -0.557 -5.728 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.306 -1.483 -6.047 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.137 0.661 -6.617 1.00 0.00 C ATOM 0 H THR A 53 -4.602 -1.629 -3.289 1.00 0.00 H new ATOM 0 HA THR A 53 -2.342 0.111 -3.936 1.00 0.00 H new ATOM 0 HB THR A 53 -4.323 -0.964 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.322 -1.670 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.150 0.354 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.942 1.374 -6.438 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.180 1.129 -6.389 1.00 0.00 H new ATOM 869 N VAL A 54 -3.899 2.095 -3.979 1.00 0.00 N ATOM 870 CA VAL A 54 -4.757 3.239 -3.715 1.00 0.00 C ATOM 871 C VAL A 54 -4.715 4.217 -4.892 1.00 0.00 C ATOM 872 O VAL A 54 -3.751 4.949 -5.077 1.00 0.00 O ATOM 873 CB VAL A 54 -4.377 3.944 -2.382 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.467 5.143 -2.587 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.637 4.363 -1.637 1.00 0.00 C ATOM 0 H VAL A 54 -2.940 2.342 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.779 2.877 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.818 3.221 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.236 5.594 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.543 4.821 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.968 5.876 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.361 4.856 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.213 5.052 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.240 3.482 -1.417 1.00 0.00 H new ATOM 885 N THR A 55 -5.765 4.201 -5.704 1.00 0.00 N ATOM 886 CA THR A 55 -5.837 5.071 -6.877 1.00 0.00 C ATOM 887 C THR A 55 -6.861 6.190 -6.684 1.00 0.00 C ATOM 888 O THR A 55 -8.008 5.944 -6.312 1.00 0.00 O ATOM 889 CB THR A 55 -6.194 4.253 -8.120 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.640 2.950 -8.039 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.710 4.878 -9.407 1.00 0.00 C ATOM 0 H THR A 55 -6.577 3.598 -5.575 1.00 0.00 H new ATOM 0 HA THR A 55 -4.856 5.528 -7.010 1.00 0.00 H new ATOM 0 HB THR A 55 -7.283 4.219 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.880 2.442 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.997 4.247 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.159 5.864 -9.524 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.625 4.974 -9.379 1.00 0.00 H new ATOM 899 N GLU A 56 -6.429 7.423 -6.949 1.00 0.00 N ATOM 900 CA GLU A 56 -7.306 8.580 -6.812 1.00 0.00 C ATOM 901 C GLU A 56 -8.028 8.870 -8.121 1.00 0.00 C ATOM 902 O GLU A 56 -7.332 9.001 -9.158 1.00 0.00 O ATOM 903 CB GLU A 56 -6.512 9.800 -6.360 1.00 0.00 C ATOM 904 CG GLU A 56 -7.358 11.050 -6.193 1.00 0.00 C ATOM 905 CD GLU A 56 -6.525 12.327 -6.231 1.00 0.00 C ATOM 906 OE1 GLU A 56 -6.013 12.728 -5.165 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.393 12.914 -7.318 1.00 0.00 O ATOM 908 OXT GLU A 56 -9.271 8.974 -8.107 1.00 0.00 O ATOM 0 H GLU A 56 -5.482 7.643 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.055 8.352 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.023 9.574 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.724 9.999 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.108 11.086 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.895 10.998 -5.246 1.00 0.00 H new TER 915 GLU A 56