USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -171:sc= -0.0774 (180deg=-0.375) USER MOD Single : X 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ -119:sc= -2.05! (180deg=-3.95!) USER MOD Single : X 8 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.24) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.202 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot -169:sc= -0.377 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ -136:sc= -0.516 (180deg=-4.26!) USER MOD Single : X 32 GLN : amide:sc= -0.832 K(o=-0.83,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.47) USER MOD Single : X 37 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.9!) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot -163:sc= -2.94! USER MOD Single : X 50 LYS NZ :NH3+ 160:sc= -0.167 (180deg=-1.14) USER MOD Single : X 51 THR OG1 : rot 180:sc= -1.38 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -13.506 7.398 15.520 1.00 0.00 N ATOM 2 CA MET X 1 -14.803 7.956 15.996 1.00 0.00 C ATOM 3 C MET X 1 -15.669 8.323 14.796 1.00 0.00 C ATOM 4 O MET X 1 -16.888 8.438 14.911 1.00 0.00 O ATOM 5 CB MET X 1 -14.535 9.199 16.848 1.00 0.00 C ATOM 6 CG MET X 1 -15.046 8.966 18.271 1.00 0.00 C ATOM 7 SD MET X 1 -14.333 10.203 19.382 1.00 0.00 S ATOM 8 CE MET X 1 -15.461 9.933 20.772 1.00 0.00 C ATOM 0 H1 MET X 1 -12.979 7.008 16.327 1.00 0.00 H new ATOM 0 H2 MET X 1 -13.686 6.644 14.827 1.00 0.00 H new ATOM 0 H3 MET X 1 -12.947 8.152 15.073 1.00 0.00 H new ATOM 0 HA MET X 1 -15.326 7.213 16.598 1.00 0.00 H new ATOM 0 HB2 MET X 1 -13.467 9.417 16.865 1.00 0.00 H new ATOM 0 HB3 MET X 1 -15.030 10.066 16.410 1.00 0.00 H new ATOM 0 HG2 MET X 1 -16.134 9.028 18.292 1.00 0.00 H new ATOM 0 HG3 MET X 1 -14.777 7.964 18.605 1.00 0.00 H new ATOM 0 HE1 MET X 1 -15.200 10.606 21.589 1.00 0.00 H new ATOM 0 HE2 MET X 1 -16.485 10.130 20.453 1.00 0.00 H new ATOM 0 HE3 MET X 1 -15.379 8.901 21.112 1.00 0.00 H new ATOM 20 N GLN X 2 -15.029 8.507 13.645 1.00 0.00 N ATOM 21 CA GLN X 2 -15.751 8.863 12.429 1.00 0.00 C ATOM 22 C GLN X 2 -15.443 7.872 11.312 1.00 0.00 C ATOM 23 O GLN X 2 -14.282 7.552 11.055 1.00 0.00 O ATOM 24 CB GLN X 2 -15.361 10.272 11.979 1.00 0.00 C ATOM 25 CG GLN X 2 -13.874 10.299 11.616 1.00 0.00 C ATOM 26 CD GLN X 2 -13.445 11.725 11.283 1.00 0.00 C ATOM 27 OE1 GLN X 2 -13.944 12.679 11.877 1.00 0.00 O ATOM 28 NE2 GLN X 2 -12.541 11.927 10.363 1.00 0.00 N ATOM 0 H GLN X 2 -14.020 8.416 13.529 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.819 8.833 12.645 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -15.961 10.570 11.120 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -15.565 10.989 12.774 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -13.281 9.917 12.447 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -13.687 9.646 10.764 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -12.128 11.135 9.871 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -12.248 12.877 10.136 1.00 0.00 H new ATOM 37 N TYR X 3 -16.489 7.394 10.650 1.00 0.00 N ATOM 38 CA TYR X 3 -16.318 6.444 9.558 1.00 0.00 C ATOM 39 C TYR X 3 -17.074 6.914 8.320 1.00 0.00 C ATOM 40 O TYR X 3 -17.886 7.836 8.391 1.00 0.00 O ATOM 41 CB TYR X 3 -16.826 5.063 9.977 1.00 0.00 C ATOM 42 CG TYR X 3 -15.858 4.448 10.959 1.00 0.00 C ATOM 43 CD1 TYR X 3 -15.925 4.787 12.316 1.00 0.00 C ATOM 44 CD2 TYR X 3 -14.893 3.537 10.512 1.00 0.00 C ATOM 45 CE1 TYR X 3 -15.027 4.215 13.225 1.00 0.00 C ATOM 46 CE2 TYR X 3 -13.995 2.966 11.422 1.00 0.00 C ATOM 47 CZ TYR X 3 -14.062 3.305 12.778 1.00 0.00 C ATOM 48 OH TYR X 3 -13.177 2.742 13.674 1.00 0.00 O ATOM 0 H TYR X 3 -17.457 7.646 10.848 1.00 0.00 H new ATOM 0 HA TYR X 3 -15.256 6.379 9.321 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -17.814 5.149 10.429 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -16.930 4.421 9.102 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -16.669 5.489 12.661 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -14.841 3.275 9.466 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -15.079 4.476 14.272 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -13.250 2.264 11.077 1.00 0.00 H new ATOM 0 HH TYR X 3 -12.575 2.132 13.199 1.00 0.00 H new ATOM 58 N LYS X 4 -16.802 6.275 7.189 1.00 0.00 N ATOM 59 CA LYS X 4 -17.463 6.636 5.942 1.00 0.00 C ATOM 60 C LYS X 4 -18.086 5.402 5.300 1.00 0.00 C ATOM 61 O LYS X 4 -17.495 4.322 5.312 1.00 0.00 O ATOM 62 CB LYS X 4 -16.451 7.259 4.981 1.00 0.00 C ATOM 63 CG LYS X 4 -17.037 8.530 4.365 1.00 0.00 C ATOM 64 CD LYS X 4 -16.339 8.815 3.033 1.00 0.00 C ATOM 65 CE LYS X 4 -16.595 10.265 2.622 1.00 0.00 C ATOM 66 NZ LYS X 4 -18.039 10.444 2.303 1.00 0.00 N ATOM 0 H LYS X 4 -16.133 5.509 7.110 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.250 7.359 6.158 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.528 7.493 5.512 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -16.196 6.548 4.196 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -18.109 8.411 4.209 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -16.905 9.372 5.045 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -15.268 8.636 3.126 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -16.710 8.137 2.264 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -16.303 10.939 3.427 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -15.986 10.521 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -18.141 10.739 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -18.541 9.545 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -18.444 11.173 2.925 1.00 0.00 H new ATOM 80 N LEU X 5 -19.280 5.564 4.740 1.00 0.00 N ATOM 81 CA LEU X 5 -19.961 4.447 4.101 1.00 0.00 C ATOM 82 C LEU X 5 -20.302 4.781 2.655 1.00 0.00 C ATOM 83 O LEU X 5 -21.237 5.536 2.384 1.00 0.00 O ATOM 84 CB LEU X 5 -21.245 4.114 4.868 1.00 0.00 C ATOM 85 CG LEU X 5 -21.211 2.653 5.323 1.00 0.00 C ATOM 86 CD1 LEU X 5 -20.930 1.748 4.122 1.00 0.00 C ATOM 87 CD2 LEU X 5 -20.105 2.473 6.366 1.00 0.00 C ATOM 0 H LEU X 5 -19.790 6.447 4.716 1.00 0.00 H new ATOM 0 HA LEU X 5 -19.295 3.584 4.112 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.345 4.771 5.732 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -22.114 4.287 4.233 1.00 0.00 H new ATOM 0 HG LEU X 5 -22.173 2.386 5.760 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -20.906 0.708 4.448 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -21.716 1.877 3.377 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -19.968 2.013 3.684 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -20.078 1.433 6.692 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -19.144 2.740 5.927 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -20.304 3.117 7.223 1.00 0.00 H new ATOM 99 N ILE X 6 -19.548 4.203 1.728 1.00 0.00 N ATOM 100 CA ILE X 6 -19.790 4.437 0.310 1.00 0.00 C ATOM 101 C ILE X 6 -20.399 3.192 -0.322 1.00 0.00 C ATOM 102 O ILE X 6 -19.714 2.189 -0.524 1.00 0.00 O ATOM 103 CB ILE X 6 -18.478 4.785 -0.395 1.00 0.00 C ATOM 104 CG1 ILE X 6 -18.065 6.209 -0.020 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.669 4.690 -1.909 1.00 0.00 C ATOM 106 CD1 ILE X 6 -16.588 6.422 -0.359 1.00 0.00 C ATOM 0 H ILE X 6 -18.771 3.574 1.930 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.484 5.271 0.202 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.701 4.086 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.680 6.930 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -18.232 6.379 1.044 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.733 4.938 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -18.965 3.675 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.445 5.389 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -16.296 7.437 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -15.980 5.710 0.200 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -16.434 6.270 -1.427 1.00 0.00 H new ATOM 118 N LEU X 7 -21.690 3.257 -0.628 1.00 0.00 N ATOM 119 CA LEU X 7 -22.372 2.123 -1.229 1.00 0.00 C ATOM 120 C LEU X 7 -22.805 2.448 -2.650 1.00 0.00 C ATOM 121 O LEU X 7 -23.663 3.303 -2.868 1.00 0.00 O ATOM 122 CB LEU X 7 -23.594 1.735 -0.397 1.00 0.00 C ATOM 123 CG LEU X 7 -24.048 2.925 0.449 1.00 0.00 C ATOM 124 CD1 LEU X 7 -24.582 4.025 -0.469 1.00 0.00 C ATOM 125 CD2 LEU X 7 -25.157 2.471 1.401 1.00 0.00 C ATOM 0 H LEU X 7 -22.278 4.075 -0.471 1.00 0.00 H new ATOM 0 HA LEU X 7 -21.676 1.285 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -24.404 1.414 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.352 0.890 0.248 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.206 3.310 1.025 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -24.906 4.875 0.132 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -23.794 4.343 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -25.427 3.642 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -25.485 3.316 2.007 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -25.999 2.090 0.823 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -24.778 1.683 2.052 1.00 0.00 H new ATOM 137 N ASN X 8 -22.213 1.756 -3.614 1.00 0.00 N ATOM 138 CA ASN X 8 -22.559 1.980 -5.008 1.00 0.00 C ATOM 139 C ASN X 8 -23.554 0.926 -5.478 1.00 0.00 C ATOM 140 O ASN X 8 -23.231 -0.260 -5.545 1.00 0.00 O ATOM 141 CB ASN X 8 -21.301 1.923 -5.876 1.00 0.00 C ATOM 142 CG ASN X 8 -21.319 3.053 -6.899 1.00 0.00 C ATOM 143 OD1 ASN X 8 -22.347 3.306 -7.529 1.00 0.00 O ATOM 144 ND2 ASN X 8 -20.236 3.752 -7.105 1.00 0.00 N ATOM 0 H ASN X 8 -21.500 1.044 -3.458 1.00 0.00 H new ATOM 0 HA ASN X 8 -23.014 2.966 -5.101 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -20.413 2.004 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -21.245 0.961 -6.386 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -20.240 4.509 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -19.386 3.541 -6.582 1.00 0.00 H new ATOM 151 N GLY X 9 -24.761 1.367 -5.807 1.00 0.00 N ATOM 152 CA GLY X 9 -25.796 0.452 -6.276 1.00 0.00 C ATOM 153 C GLY X 9 -25.701 0.273 -7.784 1.00 0.00 C ATOM 154 O GLY X 9 -26.701 0.365 -8.496 1.00 0.00 O ATOM 0 H GLY X 9 -25.047 2.345 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -25.689 -0.513 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.780 0.839 -6.010 1.00 0.00 H new ATOM 158 N LYS X 10 -24.486 0.025 -8.261 1.00 0.00 N ATOM 159 CA LYS X 10 -24.251 -0.155 -9.688 1.00 0.00 C ATOM 160 C LYS X 10 -24.650 1.107 -10.442 1.00 0.00 C ATOM 161 O LYS X 10 -23.843 1.701 -11.158 1.00 0.00 O ATOM 162 CB LYS X 10 -25.061 -1.346 -10.209 1.00 0.00 C ATOM 163 CG LYS X 10 -24.110 -2.423 -10.739 1.00 0.00 C ATOM 164 CD LYS X 10 -23.527 -1.975 -12.081 1.00 0.00 C ATOM 165 CE LYS X 10 -24.350 -2.579 -13.221 1.00 0.00 C ATOM 166 NZ LYS X 10 -23.748 -2.192 -14.528 1.00 0.00 N ATOM 0 H LYS X 10 -23.651 -0.056 -7.681 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.191 -0.349 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.680 -1.755 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -25.736 -1.021 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -23.308 -2.599 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -24.643 -3.366 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -23.536 -0.887 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -22.487 -2.291 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -24.377 -3.665 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -25.381 -2.228 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -24.307 -2.602 -15.303 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -23.744 -1.156 -14.615 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -22.772 -2.547 -14.579 1.00 0.00 H new ATOM 180 N THR X 11 -25.898 1.511 -10.264 1.00 0.00 N ATOM 181 CA THR X 11 -26.409 2.709 -10.916 1.00 0.00 C ATOM 182 C THR X 11 -26.685 3.793 -9.882 1.00 0.00 C ATOM 183 O THR X 11 -27.184 4.869 -10.213 1.00 0.00 O ATOM 184 CB THR X 11 -27.699 2.382 -11.671 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.529 1.568 -10.853 1.00 0.00 O ATOM 186 CG2 THR X 11 -27.361 1.637 -12.963 1.00 0.00 C ATOM 0 H THR X 11 -26.576 1.028 -9.674 1.00 0.00 H new ATOM 0 HA THR X 11 -25.660 3.070 -11.620 1.00 0.00 H new ATOM 0 HB THR X 11 -28.223 3.306 -11.916 1.00 0.00 H new ATOM 0 HG1 THR X 11 -29.357 1.358 -11.333 1.00 0.00 H new ATOM 0 HG21 THR X 11 -28.281 1.404 -13.500 1.00 0.00 H new ATOM 0 HG22 THR X 11 -26.724 2.263 -13.588 1.00 0.00 H new ATOM 0 HG23 THR X 11 -26.837 0.712 -12.723 1.00 0.00 H new ATOM 194 N LEU X 12 -26.370 3.496 -8.624 1.00 0.00 N ATOM 195 CA LEU X 12 -26.605 4.453 -7.548 1.00 0.00 C ATOM 196 C LEU X 12 -25.367 4.609 -6.674 1.00 0.00 C ATOM 197 O LEU X 12 -24.763 3.624 -6.250 1.00 0.00 O ATOM 198 CB LEU X 12 -27.782 3.981 -6.689 1.00 0.00 C ATOM 199 CG LEU X 12 -28.609 5.187 -6.236 1.00 0.00 C ATOM 200 CD1 LEU X 12 -27.684 6.236 -5.617 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.338 5.791 -7.441 1.00 0.00 C ATOM 0 H LEU X 12 -25.957 2.612 -8.327 1.00 0.00 H new ATOM 0 HA LEU X 12 -26.835 5.421 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.407 3.293 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.414 3.434 -5.821 1.00 0.00 H new ATOM 0 HG LEU X 12 -29.341 4.867 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.272 7.095 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.169 5.806 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -26.950 6.556 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -29.926 6.650 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.608 6.111 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.999 5.043 -7.879 1.00 0.00 H new ATOM 213 N LYS X 13 -25.003 5.858 -6.402 1.00 0.00 N ATOM 214 CA LYS X 13 -23.843 6.147 -5.569 1.00 0.00 C ATOM 215 C LYS X 13 -24.204 7.182 -4.508 1.00 0.00 C ATOM 216 O LYS X 13 -24.923 8.142 -4.788 1.00 0.00 O ATOM 217 CB LYS X 13 -22.699 6.679 -6.436 1.00 0.00 C ATOM 218 CG LYS X 13 -23.164 7.929 -7.191 1.00 0.00 C ATOM 219 CD LYS X 13 -23.173 7.649 -8.698 1.00 0.00 C ATOM 220 CE LYS X 13 -21.735 7.601 -9.220 1.00 0.00 C ATOM 221 NZ LYS X 13 -21.572 8.589 -10.324 1.00 0.00 N ATOM 0 H LYS X 13 -25.494 6.684 -6.746 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.526 5.227 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -21.838 6.918 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -22.378 5.913 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -24.162 8.216 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -22.501 8.766 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -23.675 6.703 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -23.734 8.425 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -21.037 7.823 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -21.500 6.598 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -20.595 8.556 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -22.228 8.357 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -21.779 9.544 -9.968 1.00 0.00 H new ATOM 235 N GLY X 14 -23.706 6.986 -3.290 1.00 0.00 N ATOM 236 CA GLY X 14 -23.994 7.917 -2.206 1.00 0.00 C ATOM 237 C GLY X 14 -22.970 7.792 -1.086 1.00 0.00 C ATOM 238 O GLY X 14 -22.528 6.692 -0.754 1.00 0.00 O ATOM 0 H GLY X 14 -23.108 6.201 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.994 8.937 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.992 7.724 -1.813 1.00 0.00 H new ATOM 242 N GLU X 15 -22.601 8.928 -0.504 1.00 0.00 N ATOM 243 CA GLU X 15 -21.631 8.938 0.584 1.00 0.00 C ATOM 244 C GLU X 15 -22.187 9.699 1.784 1.00 0.00 C ATOM 245 O GLU X 15 -22.832 10.737 1.629 1.00 0.00 O ATOM 246 CB GLU X 15 -20.327 9.591 0.118 1.00 0.00 C ATOM 247 CG GLU X 15 -20.594 11.041 -0.296 1.00 0.00 C ATOM 248 CD GLU X 15 -20.235 11.239 -1.766 1.00 0.00 C ATOM 249 OE1 GLU X 15 -20.922 10.677 -2.603 1.00 0.00 O ATOM 250 OE2 GLU X 15 -19.280 11.949 -2.032 1.00 0.00 O ATOM 0 H GLU X 15 -22.956 9.848 -0.765 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.431 7.908 0.880 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -19.588 9.562 0.919 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -19.910 9.034 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -21.643 11.287 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -20.008 11.719 0.324 1.00 0.00 H new ATOM 257 N THR X 16 -21.935 9.177 2.979 1.00 0.00 N ATOM 258 CA THR X 16 -22.416 9.815 4.198 1.00 0.00 C ATOM 259 C THR X 16 -21.387 9.677 5.315 1.00 0.00 C ATOM 260 O THR X 16 -20.499 8.826 5.250 1.00 0.00 O ATOM 261 CB THR X 16 -23.739 9.179 4.633 1.00 0.00 C ATOM 262 OG1 THR X 16 -24.035 9.575 5.965 1.00 0.00 O ATOM 263 CG2 THR X 16 -23.622 7.656 4.564 1.00 0.00 C ATOM 0 H THR X 16 -21.404 8.319 3.129 1.00 0.00 H new ATOM 0 HA THR X 16 -22.574 10.874 3.996 1.00 0.00 H new ATOM 0 HB THR X 16 -24.538 9.509 3.969 1.00 0.00 H new ATOM 0 HG1 THR X 16 -24.882 9.171 6.246 1.00 0.00 H new ATOM 0 HG21 THR X 16 -24.564 7.204 4.874 1.00 0.00 H new ATOM 0 HG22 THR X 16 -23.394 7.355 3.542 1.00 0.00 H new ATOM 0 HG23 THR X 16 -22.824 7.322 5.227 1.00 0.00 H new ATOM 271 N THR X 17 -21.508 10.519 6.335 1.00 0.00 N ATOM 272 CA THR X 17 -20.576 10.480 7.457 1.00 0.00 C ATOM 273 C THR X 17 -21.327 10.402 8.783 1.00 0.00 C ATOM 274 O THR X 17 -22.351 11.058 8.967 1.00 0.00 O ATOM 275 CB THR X 17 -19.692 11.727 7.441 1.00 0.00 C ATOM 276 OG1 THR X 17 -20.396 12.812 8.029 1.00 0.00 O ATOM 277 CG2 THR X 17 -19.325 12.077 5.997 1.00 0.00 C ATOM 0 H THR X 17 -22.235 11.231 6.409 1.00 0.00 H new ATOM 0 HA THR X 17 -19.955 9.590 7.356 1.00 0.00 H new ATOM 0 HB THR X 17 -18.781 11.534 8.008 1.00 0.00 H new ATOM 0 HG1 THR X 17 -19.830 13.612 8.021 1.00 0.00 H new ATOM 0 HG21 THR X 17 -18.695 12.966 5.987 1.00 0.00 H new ATOM 0 HG22 THR X 17 -18.785 11.244 5.547 1.00 0.00 H new ATOM 0 HG23 THR X 17 -20.234 12.270 5.427 1.00 0.00 H new ATOM 285 N THR X 18 -20.806 9.597 9.702 1.00 0.00 N ATOM 286 CA THR X 18 -21.430 9.438 11.010 1.00 0.00 C ATOM 287 C THR X 18 -20.367 9.272 12.092 1.00 0.00 C ATOM 288 O THR X 18 -19.323 8.662 11.862 1.00 0.00 O ATOM 289 CB THR X 18 -22.353 8.217 11.003 1.00 0.00 C ATOM 290 OG1 THR X 18 -21.567 7.033 11.013 1.00 0.00 O ATOM 291 CG2 THR X 18 -23.225 8.242 9.748 1.00 0.00 C ATOM 0 H THR X 18 -19.958 9.047 9.567 1.00 0.00 H new ATOM 0 HA THR X 18 -22.015 10.332 11.226 1.00 0.00 H new ATOM 0 HB THR X 18 -22.992 8.238 11.886 1.00 0.00 H new ATOM 0 HG1 THR X 18 -22.156 6.250 11.010 1.00 0.00 H new ATOM 0 HG21 THR X 18 -23.882 7.372 9.744 1.00 0.00 H new ATOM 0 HG22 THR X 18 -23.827 9.151 9.741 1.00 0.00 H new ATOM 0 HG23 THR X 18 -22.589 8.221 8.863 1.00 0.00 H new ATOM 299 N GLU X 19 -20.638 9.819 13.273 1.00 0.00 N ATOM 300 CA GLU X 19 -19.694 9.727 14.382 1.00 0.00 C ATOM 301 C GLU X 19 -20.212 8.769 15.450 1.00 0.00 C ATOM 302 O GLU X 19 -21.183 9.065 16.145 1.00 0.00 O ATOM 303 CB GLU X 19 -19.476 11.110 14.999 1.00 0.00 C ATOM 304 CG GLU X 19 -18.654 11.975 14.041 1.00 0.00 C ATOM 305 CD GLU X 19 -19.582 12.729 13.094 1.00 0.00 C ATOM 306 OE1 GLU X 19 -20.644 12.209 12.799 1.00 0.00 O ATOM 307 OE2 GLU X 19 -19.214 13.815 12.677 1.00 0.00 O ATOM 0 H GLU X 19 -21.496 10.327 13.486 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.748 9.347 13.997 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -20.436 11.585 15.201 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -18.960 11.016 15.954 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -18.046 12.681 14.606 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.968 11.349 13.470 1.00 0.00 H new ATOM 314 N ALA X 20 -19.556 7.619 15.573 1.00 0.00 N ATOM 315 CA ALA X 20 -19.960 6.624 16.560 1.00 0.00 C ATOM 316 C ALA X 20 -18.750 6.130 17.346 1.00 0.00 C ATOM 317 O ALA X 20 -17.611 6.485 17.042 1.00 0.00 O ATOM 318 CB ALA X 20 -20.634 5.441 15.863 1.00 0.00 C ATOM 0 H ALA X 20 -18.750 7.355 15.007 1.00 0.00 H new ATOM 0 HA ALA X 20 -20.664 7.088 17.250 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.933 4.702 16.607 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -21.515 5.790 15.324 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.935 4.986 15.161 1.00 0.00 H new ATOM 324 N VAL X 21 -19.006 5.308 18.358 1.00 0.00 N ATOM 325 CA VAL X 21 -17.930 4.767 19.182 1.00 0.00 C ATOM 326 C VAL X 21 -17.877 3.249 19.054 1.00 0.00 C ATOM 327 O VAL X 21 -17.052 2.591 19.687 1.00 0.00 O ATOM 328 CB VAL X 21 -18.150 5.152 20.646 1.00 0.00 C ATOM 329 CG1 VAL X 21 -16.905 4.795 21.461 1.00 0.00 C ATOM 330 CG2 VAL X 21 -18.408 6.656 20.744 1.00 0.00 C ATOM 0 H VAL X 21 -19.942 5.003 18.627 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.984 5.184 18.837 1.00 0.00 H new ATOM 0 HB VAL X 21 -19.009 4.609 21.039 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -17.062 5.069 22.504 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -16.720 3.723 21.392 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -16.045 5.338 21.068 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -18.565 6.931 21.787 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -17.549 7.199 20.351 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -19.295 6.912 20.164 1.00 0.00 H new ATOM 340 N ASP X 22 -18.763 2.700 18.231 1.00 0.00 N ATOM 341 CA ASP X 22 -18.811 1.256 18.025 1.00 0.00 C ATOM 342 C ASP X 22 -19.007 0.933 16.547 1.00 0.00 C ATOM 343 O ASP X 22 -20.098 0.547 16.125 1.00 0.00 O ATOM 344 CB ASP X 22 -19.956 0.651 18.839 1.00 0.00 C ATOM 345 CG ASP X 22 -21.173 1.569 18.790 1.00 0.00 C ATOM 346 OD1 ASP X 22 -21.020 2.741 19.095 1.00 0.00 O ATOM 347 OD2 ASP X 22 -22.240 1.087 18.448 1.00 0.00 O ATOM 0 H ASP X 22 -19.454 3.228 17.698 1.00 0.00 H new ATOM 0 HA ASP X 22 -17.865 0.828 18.356 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -20.215 -0.331 18.443 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -19.641 0.506 19.872 1.00 0.00 H new ATOM 352 N ALA X 23 -17.944 1.094 15.766 1.00 0.00 N ATOM 353 CA ALA X 23 -18.007 0.820 14.334 1.00 0.00 C ATOM 354 C ALA X 23 -18.330 -0.650 14.082 1.00 0.00 C ATOM 355 O ALA X 23 -19.006 -0.988 13.110 1.00 0.00 O ATOM 356 CB ALA X 23 -16.672 1.171 13.676 1.00 0.00 C ATOM 0 H ALA X 23 -17.033 1.411 16.098 1.00 0.00 H new ATOM 0 HA ALA X 23 -18.798 1.433 13.901 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -16.727 0.964 12.607 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -16.458 2.229 13.830 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -15.878 0.571 14.121 1.00 0.00 H new ATOM 362 N ALA X 24 -17.839 -1.519 14.959 1.00 0.00 N ATOM 363 CA ALA X 24 -18.079 -2.951 14.818 1.00 0.00 C ATOM 364 C ALA X 24 -19.576 -3.248 14.825 1.00 0.00 C ATOM 365 O ALA X 24 -20.067 -4.025 14.006 1.00 0.00 O ATOM 366 CB ALA X 24 -17.401 -3.710 15.959 1.00 0.00 C ATOM 0 H ALA X 24 -17.276 -1.260 15.769 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.660 -3.277 13.866 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.586 -4.778 15.846 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -16.328 -3.522 15.933 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -17.806 -3.371 16.913 1.00 0.00 H new ATOM 372 N THR X 25 -20.294 -2.627 15.755 1.00 0.00 N ATOM 373 CA THR X 25 -21.733 -2.834 15.860 1.00 0.00 C ATOM 374 C THR X 25 -22.468 -2.091 14.747 1.00 0.00 C ATOM 375 O THR X 25 -23.370 -2.639 14.114 1.00 0.00 O ATOM 376 CB THR X 25 -22.234 -2.341 17.219 1.00 0.00 C ATOM 377 OG1 THR X 25 -22.160 -0.923 17.262 1.00 0.00 O ATOM 378 CG2 THR X 25 -21.367 -2.932 18.332 1.00 0.00 C ATOM 0 H THR X 25 -19.906 -1.981 16.442 1.00 0.00 H new ATOM 0 HA THR X 25 -21.933 -3.901 15.762 1.00 0.00 H new ATOM 0 HB THR X 25 -23.267 -2.657 17.361 1.00 0.00 H new ATOM 0 HG1 THR X 25 -22.311 -0.615 18.180 1.00 0.00 H new ATOM 0 HG21 THR X 25 -21.726 -2.579 19.299 1.00 0.00 H new ATOM 0 HG22 THR X 25 -21.424 -4.020 18.299 1.00 0.00 H new ATOM 0 HG23 THR X 25 -20.332 -2.618 18.193 1.00 0.00 H new ATOM 386 N ALA X 26 -22.080 -0.841 14.521 1.00 0.00 N ATOM 387 CA ALA X 26 -22.713 -0.028 13.488 1.00 0.00 C ATOM 388 C ALA X 26 -22.499 -0.637 12.103 1.00 0.00 C ATOM 389 O ALA X 26 -23.424 -0.697 11.294 1.00 0.00 O ATOM 390 CB ALA X 26 -22.138 1.390 13.517 1.00 0.00 C ATOM 0 H ALA X 26 -21.335 -0.370 15.035 1.00 0.00 H new ATOM 0 HA ALA X 26 -23.784 0.005 13.690 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -22.615 1.992 12.743 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -22.325 1.839 14.493 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -21.064 1.351 13.336 1.00 0.00 H new ATOM 396 N GLU X 27 -21.275 -1.079 11.836 1.00 0.00 N ATOM 397 CA GLU X 27 -20.954 -1.673 10.542 1.00 0.00 C ATOM 398 C GLU X 27 -21.837 -2.887 10.259 1.00 0.00 C ATOM 399 O GLU X 27 -22.312 -3.072 9.139 1.00 0.00 O ATOM 400 CB GLU X 27 -19.484 -2.095 10.511 1.00 0.00 C ATOM 401 CG GLU X 27 -18.599 -0.853 10.386 1.00 0.00 C ATOM 402 CD GLU X 27 -17.151 -1.210 10.706 1.00 0.00 C ATOM 403 OE1 GLU X 27 -16.912 -2.346 11.082 1.00 0.00 O ATOM 404 OE2 GLU X 27 -16.303 -0.343 10.569 1.00 0.00 O ATOM 0 H GLU X 27 -20.494 -1.038 12.491 1.00 0.00 H new ATOM 0 HA GLU X 27 -21.138 -0.923 9.773 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -19.233 -2.644 11.419 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -19.305 -2.768 9.672 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -18.668 -0.448 9.377 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -18.950 -0.077 11.066 1.00 0.00 H new ATOM 411 N LYS X 28 -22.048 -3.713 11.278 1.00 0.00 N ATOM 412 CA LYS X 28 -22.871 -4.909 11.123 1.00 0.00 C ATOM 413 C LYS X 28 -24.338 -4.540 10.912 1.00 0.00 C ATOM 414 O LYS X 28 -25.005 -5.092 10.038 1.00 0.00 O ATOM 415 CB LYS X 28 -22.738 -5.794 12.364 1.00 0.00 C ATOM 416 CG LYS X 28 -22.954 -7.258 11.974 1.00 0.00 C ATOM 417 CD LYS X 28 -24.420 -7.477 11.597 1.00 0.00 C ATOM 418 CE LYS X 28 -24.860 -8.872 12.045 1.00 0.00 C ATOM 419 NZ LYS X 28 -25.971 -9.348 11.172 1.00 0.00 N ATOM 0 H LYS X 28 -21.664 -3.579 12.214 1.00 0.00 H new ATOM 0 HA LYS X 28 -22.522 -5.453 10.245 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -21.751 -5.667 12.810 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -23.468 -5.496 13.116 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -22.309 -7.520 11.135 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -22.680 -7.910 12.803 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -25.045 -6.718 12.068 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -24.549 -7.372 10.520 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -24.020 -9.564 11.992 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -25.186 -8.846 13.085 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -26.270 -10.296 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -26.775 -8.692 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -25.644 -9.388 10.185 1.00 0.00 H new ATOM 433 N VAL X 29 -24.834 -3.612 11.721 1.00 0.00 N ATOM 434 CA VAL X 29 -26.227 -3.186 11.614 1.00 0.00 C ATOM 435 C VAL X 29 -26.492 -2.535 10.259 1.00 0.00 C ATOM 436 O VAL X 29 -27.530 -2.771 9.641 1.00 0.00 O ATOM 437 CB VAL X 29 -26.558 -2.195 12.732 1.00 0.00 C ATOM 438 CG1 VAL X 29 -27.864 -1.470 12.401 1.00 0.00 C ATOM 439 CG2 VAL X 29 -26.715 -2.951 14.054 1.00 0.00 C ATOM 0 H VAL X 29 -24.300 -3.143 12.452 1.00 0.00 H new ATOM 0 HA VAL X 29 -26.862 -4.067 11.708 1.00 0.00 H new ATOM 0 HB VAL X 29 -25.752 -1.467 12.823 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -28.100 -0.764 13.197 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -27.753 -0.932 11.460 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -28.671 -2.197 12.310 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -26.951 -2.246 14.851 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -27.521 -3.679 13.963 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -25.785 -3.468 14.290 1.00 0.00 H new ATOM 449 N PHE X 30 -25.553 -1.711 9.808 1.00 0.00 N ATOM 450 CA PHE X 30 -25.702 -1.023 8.529 1.00 0.00 C ATOM 451 C PHE X 30 -25.674 -2.011 7.365 1.00 0.00 C ATOM 452 O PHE X 30 -26.385 -1.836 6.375 1.00 0.00 O ATOM 453 CB PHE X 30 -24.576 0.000 8.357 1.00 0.00 C ATOM 454 CG PHE X 30 -25.159 1.335 7.962 1.00 0.00 C ATOM 455 CD1 PHE X 30 -25.700 1.512 6.682 1.00 0.00 C ATOM 456 CD2 PHE X 30 -25.161 2.396 8.874 1.00 0.00 C ATOM 457 CE1 PHE X 30 -26.242 2.749 6.316 1.00 0.00 C ATOM 458 CE2 PHE X 30 -25.702 3.634 8.509 1.00 0.00 C ATOM 459 CZ PHE X 30 -26.243 3.810 7.229 1.00 0.00 C ATOM 0 H PHE X 30 -24.686 -1.503 10.304 1.00 0.00 H new ATOM 0 HA PHE X 30 -26.667 -0.516 8.527 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -24.015 0.098 9.286 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -23.875 -0.341 7.596 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -25.699 0.693 5.977 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -24.744 2.259 9.861 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -26.659 2.885 5.329 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -25.702 4.453 9.213 1.00 0.00 H new ATOM 0 HZ PHE X 30 -26.661 4.765 6.946 1.00 0.00 H new ATOM 469 N LYS X 31 -24.849 -3.045 7.488 1.00 0.00 N ATOM 470 CA LYS X 31 -24.735 -4.049 6.437 1.00 0.00 C ATOM 471 C LYS X 31 -26.064 -4.769 6.235 1.00 0.00 C ATOM 472 O LYS X 31 -26.557 -4.880 5.113 1.00 0.00 O ATOM 473 CB LYS X 31 -23.653 -5.067 6.803 1.00 0.00 C ATOM 474 CG LYS X 31 -22.345 -4.696 6.102 1.00 0.00 C ATOM 475 CD LYS X 31 -21.233 -5.642 6.561 1.00 0.00 C ATOM 476 CE LYS X 31 -20.502 -5.027 7.755 1.00 0.00 C ATOM 477 NZ LYS X 31 -19.951 -3.697 7.370 1.00 0.00 N ATOM 0 H LYS X 31 -24.253 -3.209 8.299 1.00 0.00 H new ATOM 0 HA LYS X 31 -24.463 -3.546 5.509 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -23.507 -5.085 7.883 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -23.966 -6.068 6.506 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -22.469 -4.761 5.021 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -22.077 -3.665 6.331 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -21.654 -6.609 6.837 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -20.533 -5.821 5.745 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -21.186 -4.919 8.597 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -19.697 -5.686 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -18.979 -3.607 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -19.948 -3.609 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -20.542 -2.945 7.779 1.00 0.00 H new ATOM 491 N GLN X 32 -26.639 -5.256 7.329 1.00 0.00 N ATOM 492 CA GLN X 32 -27.911 -5.962 7.261 1.00 0.00 C ATOM 493 C GLN X 32 -29.025 -5.015 6.824 1.00 0.00 C ATOM 494 O GLN X 32 -29.956 -5.415 6.126 1.00 0.00 O ATOM 495 CB GLN X 32 -28.250 -6.566 8.625 1.00 0.00 C ATOM 496 CG GLN X 32 -29.388 -7.577 8.470 1.00 0.00 C ATOM 497 CD GLN X 32 -29.999 -7.887 9.832 1.00 0.00 C ATOM 498 OE1 GLN X 32 -31.101 -8.431 9.911 1.00 0.00 O ATOM 499 NE2 GLN X 32 -29.343 -7.573 10.917 1.00 0.00 N ATOM 0 H GLN X 32 -26.247 -5.175 8.267 1.00 0.00 H new ATOM 0 HA GLN X 32 -27.823 -6.762 6.526 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -27.371 -7.054 9.046 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -28.542 -5.779 9.320 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -30.151 -7.178 7.802 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -29.012 -8.493 8.014 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -28.430 -7.123 10.849 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -29.743 -7.778 11.832 1.00 0.00 H new ATOM 508 N TYR X 33 -28.921 -3.754 7.235 1.00 0.00 N ATOM 509 CA TYR X 33 -29.927 -2.761 6.874 1.00 0.00 C ATOM 510 C TYR X 33 -29.808 -2.388 5.399 1.00 0.00 C ATOM 511 O TYR X 33 -30.811 -2.304 4.691 1.00 0.00 O ATOM 512 CB TYR X 33 -29.770 -1.506 7.736 1.00 0.00 C ATOM 513 CG TYR X 33 -31.127 -0.876 7.944 1.00 0.00 C ATOM 514 CD1 TYR X 33 -31.779 -0.254 6.872 1.00 0.00 C ATOM 515 CD2 TYR X 33 -31.735 -0.916 9.205 1.00 0.00 C ATOM 516 CE1 TYR X 33 -33.038 0.328 7.061 1.00 0.00 C ATOM 517 CE2 TYR X 33 -32.996 -0.335 9.393 1.00 0.00 C ATOM 518 CZ TYR X 33 -33.647 0.287 8.322 1.00 0.00 C ATOM 519 OH TYR X 33 -34.889 0.860 8.506 1.00 0.00 O ATOM 0 H TYR X 33 -28.159 -3.399 7.812 1.00 0.00 H new ATOM 0 HA TYR X 33 -30.911 -3.195 7.050 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -29.324 -1.763 8.697 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -29.097 -0.799 7.251 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -31.310 -0.223 5.899 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -31.232 -1.395 10.032 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -33.540 0.809 6.234 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -33.466 -0.367 10.365 1.00 0.00 H new ATOM 0 HH TYR X 33 -35.169 0.743 9.438 1.00 0.00 H new ATOM 529 N ALA X 34 -28.579 -2.175 4.940 1.00 0.00 N ATOM 530 CA ALA X 34 -28.351 -1.822 3.546 1.00 0.00 C ATOM 531 C ALA X 34 -28.803 -2.960 2.643 1.00 0.00 C ATOM 532 O ALA X 34 -29.483 -2.740 1.641 1.00 0.00 O ATOM 533 CB ALA X 34 -26.865 -1.538 3.311 1.00 0.00 C ATOM 0 H ALA X 34 -27.734 -2.240 5.508 1.00 0.00 H new ATOM 0 HA ALA X 34 -28.926 -0.926 3.312 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -26.706 -1.275 2.265 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -26.548 -0.710 3.946 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.282 -2.426 3.555 1.00 0.00 H new ATOM 539 N ASN X 35 -28.424 -4.179 3.011 1.00 0.00 N ATOM 540 CA ASN X 35 -28.805 -5.351 2.231 1.00 0.00 C ATOM 541 C ASN X 35 -30.323 -5.441 2.125 1.00 0.00 C ATOM 542 O ASN X 35 -30.866 -5.735 1.061 1.00 0.00 O ATOM 543 CB ASN X 35 -28.258 -6.619 2.886 1.00 0.00 C ATOM 544 CG ASN X 35 -28.255 -7.765 1.879 1.00 0.00 C ATOM 545 OD1 ASN X 35 -27.323 -8.568 1.853 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.248 -7.887 1.041 1.00 0.00 N ATOM 0 H ASN X 35 -27.859 -4.381 3.836 1.00 0.00 H new ATOM 0 HA ASN X 35 -28.383 -5.256 1.230 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -27.246 -6.442 3.252 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -28.867 -6.884 3.750 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.252 -8.649 0.363 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -30.020 -7.220 1.064 1.00 0.00 H new ATOM 553 N ASP X 36 -31.001 -5.178 3.238 1.00 0.00 N ATOM 554 CA ASP X 36 -32.458 -5.224 3.264 1.00 0.00 C ATOM 555 C ASP X 36 -33.039 -4.117 2.393 1.00 0.00 C ATOM 556 O ASP X 36 -34.144 -4.246 1.864 1.00 0.00 O ATOM 557 CB ASP X 36 -32.959 -5.061 4.701 1.00 0.00 C ATOM 558 CG ASP X 36 -34.478 -5.191 4.743 1.00 0.00 C ATOM 559 OD1 ASP X 36 -35.113 -4.809 3.774 1.00 0.00 O ATOM 560 OD2 ASP X 36 -34.984 -5.669 5.745 1.00 0.00 O ATOM 0 H ASP X 36 -30.568 -4.932 4.128 1.00 0.00 H new ATOM 0 HA ASP X 36 -32.782 -6.189 2.874 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -32.504 -5.816 5.341 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -32.658 -4.089 5.091 1.00 0.00 H new ATOM 565 N ASN X 37 -32.288 -3.031 2.243 1.00 0.00 N ATOM 566 CA ASN X 37 -32.744 -1.910 1.430 1.00 0.00 C ATOM 567 C ASN X 37 -32.384 -2.139 -0.034 1.00 0.00 C ATOM 568 O ASN X 37 -32.709 -1.325 -0.898 1.00 0.00 O ATOM 569 CB ASN X 37 -32.107 -0.608 1.925 1.00 0.00 C ATOM 570 CG ASN X 37 -33.189 0.346 2.424 1.00 0.00 C ATOM 571 OD1 ASN X 37 -34.277 -0.090 2.802 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.954 1.630 2.448 1.00 0.00 N ATOM 0 H ASN X 37 -31.370 -2.904 2.669 1.00 0.00 H new ATOM 0 HA ASN X 37 -33.828 -1.832 1.519 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -31.401 -0.821 2.727 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -31.542 -0.140 1.119 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -33.672 2.274 2.780 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -32.052 1.989 2.135 1.00 0.00 H new ATOM 579 N GLY X 38 -31.721 -3.259 -0.305 1.00 0.00 N ATOM 580 CA GLY X 38 -31.332 -3.594 -1.667 1.00 0.00 C ATOM 581 C GLY X 38 -29.909 -3.136 -1.975 1.00 0.00 C ATOM 582 O GLY X 38 -29.553 -2.944 -3.138 1.00 0.00 O ATOM 0 H GLY X 38 -31.444 -3.945 0.397 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.407 -4.672 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -32.024 -3.128 -2.368 1.00 0.00 H new ATOM 586 N VAL X 39 -29.094 -2.969 -0.937 1.00 0.00 N ATOM 587 CA VAL X 39 -27.715 -2.541 -1.143 1.00 0.00 C ATOM 588 C VAL X 39 -26.770 -3.739 -1.097 1.00 0.00 C ATOM 589 O VAL X 39 -26.540 -4.319 -0.037 1.00 0.00 O ATOM 590 CB VAL X 39 -27.317 -1.527 -0.069 1.00 0.00 C ATOM 591 CG1 VAL X 39 -25.892 -1.036 -0.332 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.279 -0.338 -0.116 1.00 0.00 C ATOM 0 H VAL X 39 -29.358 -3.120 0.037 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.640 -2.074 -2.125 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.363 -1.999 0.912 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.609 -0.314 0.434 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.205 -1.882 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -25.846 -0.562 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -27.999 0.387 0.648 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.229 0.132 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.296 -0.685 0.069 1.00 0.00 H new ATOM 602 N ASP X 40 -26.229 -4.102 -2.256 1.00 0.00 N ATOM 603 CA ASP X 40 -25.311 -5.234 -2.341 1.00 0.00 C ATOM 604 C ASP X 40 -24.004 -4.823 -3.012 1.00 0.00 C ATOM 605 O ASP X 40 -23.909 -3.753 -3.612 1.00 0.00 O ATOM 606 CB ASP X 40 -25.957 -6.376 -3.128 1.00 0.00 C ATOM 607 CG ASP X 40 -26.966 -7.107 -2.249 1.00 0.00 C ATOM 608 OD1 ASP X 40 -27.432 -6.509 -1.294 1.00 0.00 O ATOM 609 OD2 ASP X 40 -27.257 -8.254 -2.545 1.00 0.00 O ATOM 0 H ASP X 40 -26.408 -3.633 -3.144 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.091 -5.571 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.453 -5.983 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -25.191 -7.071 -3.472 1.00 0.00 H new ATOM 614 N GLY X 41 -23.001 -5.690 -2.912 1.00 0.00 N ATOM 615 CA GLY X 41 -21.701 -5.422 -3.516 1.00 0.00 C ATOM 616 C GLY X 41 -20.574 -6.041 -2.699 1.00 0.00 C ATOM 617 O GLY X 41 -20.758 -7.072 -2.050 1.00 0.00 O ATOM 0 H GLY X 41 -23.063 -6.581 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.679 -5.821 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.548 -4.346 -3.593 1.00 0.00 H new ATOM 621 N GLU X 42 -19.406 -5.410 -2.741 1.00 0.00 N ATOM 622 CA GLU X 42 -18.253 -5.911 -2.003 1.00 0.00 C ATOM 623 C GLU X 42 -17.898 -4.969 -0.858 1.00 0.00 C ATOM 624 O GLU X 42 -17.525 -3.819 -1.080 1.00 0.00 O ATOM 625 CB GLU X 42 -17.053 -6.046 -2.943 1.00 0.00 C ATOM 626 CG GLU X 42 -16.789 -7.526 -3.228 1.00 0.00 C ATOM 627 CD GLU X 42 -17.971 -8.132 -3.976 1.00 0.00 C ATOM 628 OE1 GLU X 42 -19.095 -7.813 -3.624 1.00 0.00 O ATOM 629 OE2 GLU X 42 -17.735 -8.905 -4.889 1.00 0.00 O ATOM 0 H GLU X 42 -19.233 -4.557 -3.274 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.506 -6.887 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.246 -5.515 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.172 -5.589 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -15.880 -7.634 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -16.627 -8.062 -2.293 1.00 0.00 H new ATOM 636 N TRP X 43 -18.012 -5.469 0.366 1.00 0.00 N ATOM 637 CA TRP X 43 -17.700 -4.663 1.541 1.00 0.00 C ATOM 638 C TRP X 43 -16.359 -5.076 2.138 1.00 0.00 C ATOM 639 O TRP X 43 -15.951 -6.234 2.038 1.00 0.00 O ATOM 640 CB TRP X 43 -18.796 -4.825 2.596 1.00 0.00 C ATOM 641 CG TRP X 43 -20.029 -5.374 1.957 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.160 -4.670 1.724 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.279 -6.723 1.467 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.086 -5.499 1.117 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.591 -6.775 0.939 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.502 -7.896 1.428 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.114 -7.947 0.392 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -20.026 -9.077 0.879 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.329 -9.103 0.362 1.00 0.00 C ATOM 0 H TRP X 43 -18.316 -6.421 0.571 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.643 -3.619 1.232 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.457 -5.493 3.388 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.012 -3.863 3.061 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.315 -3.630 1.971 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -23.021 -5.203 0.835 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.497 -7.887 1.823 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.118 -7.961 -0.005 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.421 -9.972 0.855 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.726 -10.015 -0.059 1.00 0.00 H new ATOM 660 N THR X 44 -15.678 -4.117 2.757 1.00 0.00 N ATOM 661 CA THR X 44 -14.382 -4.380 3.371 1.00 0.00 C ATOM 662 C THR X 44 -14.113 -3.370 4.481 1.00 0.00 C ATOM 663 O THR X 44 -14.833 -2.381 4.620 1.00 0.00 O ATOM 664 CB THR X 44 -13.274 -4.295 2.317 1.00 0.00 C ATOM 665 OG1 THR X 44 -13.754 -3.584 1.184 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.859 -5.707 1.899 1.00 0.00 C ATOM 0 H THR X 44 -16.001 -3.154 2.846 1.00 0.00 H new ATOM 0 HA THR X 44 -14.394 -5.383 3.797 1.00 0.00 H new ATOM 0 HB THR X 44 -12.412 -3.774 2.734 1.00 0.00 H new ATOM 0 HG1 THR X 44 -13.046 -3.527 0.509 1.00 0.00 H new ATOM 0 HG21 THR X 44 -12.070 -5.647 1.149 1.00 0.00 H new ATOM 0 HG22 THR X 44 -12.492 -6.251 2.769 1.00 0.00 H new ATOM 0 HG23 THR X 44 -13.719 -6.230 1.481 1.00 0.00 H new ATOM 674 N TYR X 45 -13.076 -3.623 5.273 1.00 0.00 N ATOM 675 CA TYR X 45 -12.732 -2.725 6.369 1.00 0.00 C ATOM 676 C TYR X 45 -11.383 -2.057 6.118 1.00 0.00 C ATOM 677 O TYR X 45 -10.334 -2.683 6.267 1.00 0.00 O ATOM 678 CB TYR X 45 -12.685 -3.504 7.686 1.00 0.00 C ATOM 679 CG TYR X 45 -13.001 -4.958 7.428 1.00 0.00 C ATOM 680 CD1 TYR X 45 -12.082 -5.762 6.743 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.211 -5.503 7.874 1.00 0.00 C ATOM 682 CE1 TYR X 45 -12.372 -7.111 6.504 1.00 0.00 C ATOM 683 CE2 TYR X 45 -14.502 -6.852 7.635 1.00 0.00 C ATOM 684 CZ TYR X 45 -13.582 -7.656 6.951 1.00 0.00 C ATOM 685 OH TYR X 45 -13.868 -8.985 6.716 1.00 0.00 O ATOM 0 H TYR X 45 -12.465 -4.434 5.178 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.497 -1.951 6.432 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -11.698 -3.411 8.140 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -13.402 -3.086 8.393 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -11.149 -5.341 6.399 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -14.920 -4.883 8.402 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -11.663 -7.731 5.975 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -15.436 -7.272 7.978 1.00 0.00 H new ATOM 0 HH TYR X 45 -14.746 -9.202 7.092 1.00 0.00 H new ATOM 695 N ASP X 46 -11.417 -0.781 5.744 1.00 0.00 N ATOM 696 CA ASP X 46 -10.187 -0.040 5.483 1.00 0.00 C ATOM 697 C ASP X 46 -9.743 0.705 6.737 1.00 0.00 C ATOM 698 O ASP X 46 -10.492 1.510 7.287 1.00 0.00 O ATOM 699 CB ASP X 46 -10.406 0.957 4.343 1.00 0.00 C ATOM 700 CG ASP X 46 -10.690 0.208 3.045 1.00 0.00 C ATOM 701 OD1 ASP X 46 -11.577 -0.630 3.049 1.00 0.00 O ATOM 702 OD2 ASP X 46 -10.017 0.484 2.066 1.00 0.00 O ATOM 0 H ASP X 46 -12.274 -0.243 5.616 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.409 -0.748 5.196 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.239 1.618 4.581 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -9.524 1.586 4.224 1.00 0.00 H new ATOM 707 N ASP X 47 -8.525 0.425 7.189 1.00 0.00 N ATOM 708 CA ASP X 47 -8.000 1.072 8.387 1.00 0.00 C ATOM 709 C ASP X 47 -7.213 2.330 8.027 1.00 0.00 C ATOM 710 O ASP X 47 -7.190 3.297 8.787 1.00 0.00 O ATOM 711 CB ASP X 47 -7.093 0.102 9.145 1.00 0.00 C ATOM 712 CG ASP X 47 -6.887 0.588 10.575 1.00 0.00 C ATOM 713 OD1 ASP X 47 -7.555 1.533 10.961 1.00 0.00 O ATOM 714 OD2 ASP X 47 -6.063 0.008 11.264 1.00 0.00 O ATOM 0 H ASP X 47 -7.888 -0.239 6.749 1.00 0.00 H new ATOM 0 HA ASP X 47 -8.842 1.357 9.018 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -7.537 -0.894 9.151 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -6.131 0.019 8.638 1.00 0.00 H new ATOM 719 N ALA X 48 -6.567 2.308 6.866 1.00 0.00 N ATOM 720 CA ALA X 48 -5.779 3.452 6.421 1.00 0.00 C ATOM 721 C ALA X 48 -6.685 4.589 5.959 1.00 0.00 C ATOM 722 O ALA X 48 -6.306 5.759 6.019 1.00 0.00 O ATOM 723 CB ALA X 48 -4.858 3.036 5.272 1.00 0.00 C ATOM 0 H ALA X 48 -6.573 1.518 6.221 1.00 0.00 H new ATOM 0 HA ALA X 48 -5.181 3.801 7.263 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.273 3.896 4.945 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.186 2.248 5.611 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.458 2.668 4.440 1.00 0.00 H new ATOM 729 N THR X 49 -7.880 4.239 5.493 1.00 0.00 N ATOM 730 CA THR X 49 -8.826 5.244 5.018 1.00 0.00 C ATOM 731 C THR X 49 -10.114 5.213 5.837 1.00 0.00 C ATOM 732 O THR X 49 -11.084 5.893 5.506 1.00 0.00 O ATOM 733 CB THR X 49 -9.154 4.997 3.544 1.00 0.00 C ATOM 734 OG1 THR X 49 -9.855 3.768 3.419 1.00 0.00 O ATOM 735 CG2 THR X 49 -7.859 4.933 2.732 1.00 0.00 C ATOM 0 H THR X 49 -8.214 3.277 5.434 1.00 0.00 H new ATOM 0 HA THR X 49 -8.364 6.225 5.132 1.00 0.00 H new ATOM 0 HB THR X 49 -9.773 5.811 3.168 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.832 3.472 2.485 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.096 4.757 1.683 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.321 5.876 2.829 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.236 4.120 3.105 1.00 0.00 H new ATOM 743 N LYS X 50 -10.119 4.420 6.905 1.00 0.00 N ATOM 744 CA LYS X 50 -11.301 4.315 7.755 1.00 0.00 C ATOM 745 C LYS X 50 -12.571 4.525 6.934 1.00 0.00 C ATOM 746 O LYS X 50 -13.570 5.036 7.440 1.00 0.00 O ATOM 747 CB LYS X 50 -11.240 5.353 8.880 1.00 0.00 C ATOM 748 CG LYS X 50 -9.886 6.066 8.851 1.00 0.00 C ATOM 749 CD LYS X 50 -9.878 7.187 9.892 1.00 0.00 C ATOM 750 CE LYS X 50 -8.433 7.570 10.222 1.00 0.00 C ATOM 751 NZ LYS X 50 -7.587 7.412 9.006 1.00 0.00 N ATOM 0 H LYS X 50 -9.328 3.847 7.200 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.321 3.316 8.190 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -12.046 6.078 8.763 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.385 4.867 9.845 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -9.085 5.357 9.059 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -9.700 6.476 7.858 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -10.417 8.055 9.511 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -10.394 6.862 10.795 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -8.390 8.600 10.576 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -8.053 6.940 11.027 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -6.717 7.972 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -7.340 6.409 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -8.112 7.745 8.172 1.00 0.00 H new ATOM 765 N THR X 51 -12.525 4.131 5.665 1.00 0.00 N ATOM 766 CA THR X 51 -13.678 4.285 4.783 1.00 0.00 C ATOM 767 C THR X 51 -14.161 2.927 4.280 1.00 0.00 C ATOM 768 O THR X 51 -13.366 2.007 4.085 1.00 0.00 O ATOM 769 CB THR X 51 -13.307 5.171 3.590 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.473 5.817 3.099 1.00 0.00 O ATOM 771 CG2 THR X 51 -12.695 4.311 2.484 1.00 0.00 C ATOM 0 H THR X 51 -11.708 3.706 5.226 1.00 0.00 H new ATOM 0 HA THR X 51 -14.483 4.753 5.350 1.00 0.00 H new ATOM 0 HB THR X 51 -12.583 5.921 3.907 1.00 0.00 H new ATOM 0 HG1 THR X 51 -14.236 6.385 2.337 1.00 0.00 H new ATOM 0 HG21 THR X 51 -12.431 4.943 1.636 1.00 0.00 H new ATOM 0 HG22 THR X 51 -11.799 3.817 2.861 1.00 0.00 H new ATOM 0 HG23 THR X 51 -13.417 3.559 2.166 1.00 0.00 H new ATOM 779 N PHE X 52 -15.469 2.812 4.068 1.00 0.00 N ATOM 780 CA PHE X 52 -16.051 1.566 3.581 1.00 0.00 C ATOM 781 C PHE X 52 -16.586 1.749 2.164 1.00 0.00 C ATOM 782 O PHE X 52 -17.068 2.825 1.809 1.00 0.00 O ATOM 783 CB PHE X 52 -17.187 1.121 4.505 1.00 0.00 C ATOM 784 CG PHE X 52 -16.619 0.307 5.643 1.00 0.00 C ATOM 785 CD1 PHE X 52 -15.652 0.866 6.487 1.00 0.00 C ATOM 786 CD2 PHE X 52 -17.059 -1.005 5.855 1.00 0.00 C ATOM 787 CE1 PHE X 52 -15.125 0.113 7.543 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.532 -1.758 6.911 1.00 0.00 C ATOM 789 CZ PHE X 52 -15.565 -1.199 7.755 1.00 0.00 C ATOM 0 H PHE X 52 -16.142 3.562 4.225 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.274 0.801 3.571 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.716 1.991 4.894 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -17.913 0.530 3.948 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -15.313 1.878 6.323 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.805 -1.436 5.204 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -14.379 0.544 8.194 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -16.871 -2.770 7.075 1.00 0.00 H new ATOM 0 HZ PHE X 52 -15.158 -1.780 8.570 1.00 0.00 H new ATOM 799 N THR X 53 -16.494 0.698 1.356 1.00 0.00 N ATOM 800 CA THR X 53 -16.969 0.770 -0.022 1.00 0.00 C ATOM 801 C THR X 53 -17.742 -0.490 -0.403 1.00 0.00 C ATOM 802 O THR X 53 -17.375 -1.599 -0.013 1.00 0.00 O ATOM 803 CB THR X 53 -15.784 0.946 -0.974 1.00 0.00 C ATOM 804 OG1 THR X 53 -15.240 -0.327 -1.291 1.00 0.00 O ATOM 805 CG2 THR X 53 -14.712 1.810 -0.307 1.00 0.00 C ATOM 0 H THR X 53 -16.100 -0.203 1.626 1.00 0.00 H new ATOM 0 HA THR X 53 -17.638 1.627 -0.104 1.00 0.00 H new ATOM 0 HB THR X 53 -16.122 1.435 -1.888 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.482 -0.216 -1.902 1.00 0.00 H new ATOM 0 HG21 THR X 53 -13.869 1.934 -0.987 1.00 0.00 H new ATOM 0 HG22 THR X 53 -15.130 2.787 -0.066 1.00 0.00 H new ATOM 0 HG23 THR X 53 -14.372 1.325 0.608 1.00 0.00 H new ATOM 813 N VAL X 54 -18.810 -0.307 -1.173 1.00 0.00 N ATOM 814 CA VAL X 54 -19.630 -1.429 -1.615 1.00 0.00 C ATOM 815 C VAL X 54 -19.961 -1.284 -3.097 1.00 0.00 C ATOM 816 O VAL X 54 -20.493 -0.259 -3.522 1.00 0.00 O ATOM 817 CB VAL X 54 -20.921 -1.489 -0.799 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.378 -2.943 -0.679 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.663 -0.918 0.598 1.00 0.00 C ATOM 0 H VAL X 54 -19.127 0.605 -1.503 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.071 -2.353 -1.464 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.696 -0.904 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.299 -2.988 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.557 -3.351 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -20.605 -3.527 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.582 -0.959 1.183 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -19.890 -1.505 1.094 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.333 0.117 0.513 1.00 0.00 H new ATOM 829 N THR X 55 -19.636 -2.306 -3.882 1.00 0.00 N ATOM 830 CA THR X 55 -19.901 -2.260 -5.316 1.00 0.00 C ATOM 831 C THR X 55 -20.749 -3.446 -5.762 1.00 0.00 C ATOM 832 O THR X 55 -20.318 -4.596 -5.693 1.00 0.00 O ATOM 833 CB THR X 55 -18.580 -2.257 -6.088 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.784 -1.163 -5.658 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.865 -2.127 -7.585 1.00 0.00 C ATOM 0 H THR X 55 -19.195 -3.166 -3.556 1.00 0.00 H new ATOM 0 HA THR X 55 -20.455 -1.345 -5.526 1.00 0.00 H new ATOM 0 HB THR X 55 -18.046 -3.189 -5.901 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.937 -1.161 -6.151 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.924 -2.125 -8.136 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.476 -2.968 -7.913 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.398 -1.195 -7.774 1.00 0.00 H new ATOM 843 N GLU X 56 -21.957 -3.148 -6.231 1.00 0.00 N ATOM 844 CA GLU X 56 -22.871 -4.183 -6.703 1.00 0.00 C ATOM 845 C GLU X 56 -22.294 -4.893 -7.923 1.00 0.00 C ATOM 846 O GLU X 56 -21.803 -4.208 -8.806 1.00 0.00 O ATOM 847 CB GLU X 56 -24.218 -3.557 -7.067 1.00 0.00 C ATOM 848 CG GLU X 56 -25.147 -4.631 -7.635 1.00 0.00 C ATOM 849 CD GLU X 56 -26.535 -4.048 -7.873 1.00 0.00 C ATOM 850 OE1 GLU X 56 -26.763 -2.925 -7.454 1.00 0.00 O ATOM 851 OE2 GLU X 56 -27.350 -4.731 -8.469 1.00 0.00 O ATOM 852 OXT GLU X 56 -22.351 -6.111 -7.957 1.00 0.00 O ATOM 0 H GLU X 56 -22.326 -2.199 -6.294 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.009 -4.912 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -24.669 -3.102 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -24.075 -2.762 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -24.741 -5.017 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -25.210 -5.471 -6.944 1.00 0.00 H new TER 859 GLU X 56