USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 : A 13 THR OG1 : rot -25:sc= 0.144 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 17 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -48:sc= 0.0817 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -24:sc= 0.281 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 35 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -39:sc= 0.988 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 114:sc= 0.451 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 93:sc= 0.638 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.08 K(o=-0.08,f=-1.9!) USER MOD Single : A 73 SER OG : rot 83:sc= 0.512 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 99.470 -11.342 20.782 1.00 0.00 N ATOM 2 CA THR A 13 100.525 -11.103 19.762 1.00 0.00 C ATOM 3 C THR A 13 100.865 -9.623 19.653 1.00 0.00 C ATOM 4 O THR A 13 99.982 -8.766 19.692 1.00 0.00 O ATOM 5 CB THR A 13 100.031 -11.627 18.413 1.00 0.00 C ATOM 6 OG1 THR A 13 98.778 -11.054 18.081 1.00 0.00 O ATOM 7 CG2 THR A 13 99.872 -13.131 18.377 1.00 0.00 C ATOM 0 HA THR A 13 101.432 -11.628 20.062 1.00 0.00 H new ATOM 0 HB THR A 13 100.799 -11.342 17.694 1.00 0.00 H new ATOM 0 HG1 THR A 13 98.316 -10.780 18.901 1.00 0.00 H new ATOM 0 HG21 THR A 13 99.519 -13.436 17.392 1.00 0.00 H new ATOM 0 HG22 THR A 13 100.833 -13.603 18.580 1.00 0.00 H new ATOM 0 HG23 THR A 13 99.149 -13.439 19.133 1.00 0.00 H new ATOM 15 N PHE A 14 102.152 -9.331 19.508 1.00 0.00 N ATOM 16 CA PHE A 14 102.616 -7.955 19.385 1.00 0.00 C ATOM 17 C PHE A 14 103.140 -7.697 17.978 1.00 0.00 C ATOM 18 O PHE A 14 102.966 -6.609 17.427 1.00 0.00 O ATOM 19 CB PHE A 14 103.708 -7.665 20.417 1.00 0.00 C ATOM 20 CG PHE A 14 103.518 -6.362 21.140 1.00 0.00 C ATOM 21 CD1 PHE A 14 103.430 -5.171 20.436 1.00 0.00 C ATOM 22 CD2 PHE A 14 103.428 -6.328 22.522 1.00 0.00 C ATOM 23 CE1 PHE A 14 103.256 -3.971 21.099 1.00 0.00 C ATOM 24 CE2 PHE A 14 103.254 -5.131 23.189 1.00 0.00 C ATOM 25 CZ PHE A 14 103.168 -3.951 22.477 1.00 0.00 C ATOM 0 H PHE A 14 102.894 -10.030 19.473 1.00 0.00 H new ATOM 0 HA PHE A 14 101.774 -7.288 19.573 1.00 0.00 H new ATOM 0 HB2 PHE A 14 103.733 -8.475 21.145 1.00 0.00 H new ATOM 0 HB3 PHE A 14 104.676 -7.656 19.917 1.00 0.00 H new ATOM 0 HD1 PHE A 14 103.498 -5.181 19.358 1.00 0.00 H new ATOM 0 HD2 PHE A 14 103.495 -7.248 23.084 1.00 0.00 H new ATOM 0 HE1 PHE A 14 103.189 -3.049 20.540 1.00 0.00 H new ATOM 0 HE2 PHE A 14 103.185 -5.118 24.267 1.00 0.00 H new ATOM 0 HZ PHE A 14 103.032 -3.014 22.997 1.00 0.00 H new ATOM 35 N LEU A 15 103.774 -8.710 17.399 1.00 0.00 N ATOM 36 CA LEU A 15 104.315 -8.603 16.051 1.00 0.00 C ATOM 37 C LEU A 15 103.248 -8.954 15.020 1.00 0.00 C ATOM 38 O LEU A 15 103.281 -8.470 13.888 1.00 0.00 O ATOM 39 CB LEU A 15 105.526 -9.524 15.886 1.00 0.00 C ATOM 40 CG LEU A 15 105.238 -11.013 16.082 1.00 0.00 C ATOM 41 CD1 LEU A 15 104.853 -11.661 14.762 1.00 0.00 C ATOM 42 CD2 LEU A 15 106.445 -11.714 16.690 1.00 0.00 C ATOM 0 H LEU A 15 103.926 -9.616 17.843 1.00 0.00 H new ATOM 0 HA LEU A 15 104.633 -7.573 15.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.941 -9.378 14.889 1.00 0.00 H new ATOM 0 HB3 LEU A 15 106.293 -9.221 16.598 1.00 0.00 H new ATOM 0 HG LEU A 15 104.399 -11.113 16.770 1.00 0.00 H new ATOM 0 HD11 LEU A 15 104.652 -12.720 14.922 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.960 -11.178 14.366 1.00 0.00 H new ATOM 0 HD13 LEU A 15 105.671 -11.550 14.050 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.222 -12.773 16.823 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.302 -11.604 16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.676 -11.268 17.657 1.00 0.00 H new ATOM 54 N THR A 16 102.299 -9.796 15.422 1.00 0.00 N ATOM 55 CA THR A 16 101.219 -10.205 14.535 1.00 0.00 C ATOM 56 C THR A 16 100.173 -9.106 14.420 1.00 0.00 C ATOM 57 O THR A 16 99.523 -8.961 13.384 1.00 0.00 O ATOM 58 CB THR A 16 100.572 -11.494 15.043 1.00 0.00 C ATOM 59 OG1 THR A 16 101.554 -12.386 15.541 1.00 0.00 O ATOM 60 CG2 THR A 16 99.784 -12.227 13.979 1.00 0.00 C ATOM 0 H THR A 16 102.258 -10.206 16.355 1.00 0.00 H new ATOM 0 HA THR A 16 101.640 -10.388 13.546 1.00 0.00 H new ATOM 0 HB THR A 16 99.886 -11.182 15.831 1.00 0.00 H new ATOM 0 HG1 THR A 16 101.120 -13.204 15.863 1.00 0.00 H new ATOM 0 HG21 THR A 16 99.351 -13.132 14.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 98.986 -11.583 13.609 1.00 0.00 H new ATOM 0 HG23 THR A 16 100.446 -12.495 13.155 1.00 0.00 H new ATOM 68 N GLN A 17 100.017 -8.326 15.486 1.00 0.00 N ATOM 69 CA GLN A 17 99.052 -7.237 15.485 1.00 0.00 C ATOM 70 C GLN A 17 99.452 -6.183 14.457 1.00 0.00 C ATOM 71 O GLN A 17 98.642 -5.772 13.628 1.00 0.00 O ATOM 72 CB GLN A 17 98.935 -6.622 16.890 1.00 0.00 C ATOM 73 CG GLN A 17 99.637 -5.281 17.052 1.00 0.00 C ATOM 74 CD GLN A 17 99.149 -4.508 18.262 1.00 0.00 C ATOM 75 OE1 GLN A 17 98.016 -4.682 18.708 1.00 0.00 O ATOM 76 NE2 GLN A 17 100.007 -3.650 18.800 1.00 0.00 N ATOM 0 H GLN A 17 100.543 -8.428 16.354 1.00 0.00 H new ATOM 0 HA GLN A 17 98.074 -7.631 15.208 1.00 0.00 H new ATOM 0 HB2 GLN A 17 97.879 -6.497 17.131 1.00 0.00 H new ATOM 0 HB3 GLN A 17 99.347 -7.324 17.615 1.00 0.00 H new ATOM 0 HG2 GLN A 17 100.711 -5.446 17.140 1.00 0.00 H new ATOM 0 HG3 GLN A 17 99.479 -4.682 16.155 1.00 0.00 H new ATOM 0 HE21 GLN A 17 100.937 -3.538 18.397 1.00 0.00 H new ATOM 0 HE22 GLN A 17 99.736 -3.103 19.617 1.00 0.00 H new ATOM 85 N VAL A 18 100.712 -5.753 14.515 1.00 0.00 N ATOM 86 CA VAL A 18 101.210 -4.756 13.579 1.00 0.00 C ATOM 87 C VAL A 18 101.152 -5.305 12.167 1.00 0.00 C ATOM 88 O VAL A 18 100.866 -4.580 11.217 1.00 0.00 O ATOM 89 CB VAL A 18 102.659 -4.323 13.881 1.00 0.00 C ATOM 90 CG1 VAL A 18 102.914 -2.920 13.352 1.00 0.00 C ATOM 91 CG2 VAL A 18 102.958 -4.397 15.373 1.00 0.00 C ATOM 0 H VAL A 18 101.399 -6.078 15.196 1.00 0.00 H new ATOM 0 HA VAL A 18 100.571 -3.880 13.685 1.00 0.00 H new ATOM 0 HB VAL A 18 103.331 -5.015 13.373 1.00 0.00 H new ATOM 0 HG11 VAL A 18 103.941 -2.629 13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 18 102.756 -2.903 12.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 102.228 -2.221 13.830 1.00 0.00 H new ATOM 0 HG21 VAL A 18 103.987 -4.086 15.554 1.00 0.00 H new ATOM 0 HG22 VAL A 18 102.279 -3.737 15.913 1.00 0.00 H new ATOM 0 HG23 VAL A 18 102.822 -5.421 15.721 1.00 0.00 H new ATOM 101 N LYS A 19 101.408 -6.603 12.038 1.00 0.00 N ATOM 102 CA LYS A 19 101.366 -7.257 10.741 1.00 0.00 C ATOM 103 C LYS A 19 100.001 -7.055 10.099 1.00 0.00 C ATOM 104 O LYS A 19 99.870 -7.075 8.875 1.00 0.00 O ATOM 105 CB LYS A 19 101.669 -8.751 10.883 1.00 0.00 C ATOM 106 CG LYS A 19 103.138 -9.094 10.694 1.00 0.00 C ATOM 107 CD LYS A 19 103.375 -10.592 10.788 1.00 0.00 C ATOM 108 CE LYS A 19 102.825 -11.321 9.573 1.00 0.00 C ATOM 109 NZ LYS A 19 103.890 -11.617 8.574 1.00 0.00 N ATOM 0 H LYS A 19 101.646 -7.219 12.816 1.00 0.00 H new ATOM 0 HA LYS A 19 102.127 -6.811 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.350 -9.086 11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.078 -9.304 10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 19 103.476 -8.731 9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 19 103.733 -8.582 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 19 104.444 -10.787 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 19 102.903 -10.980 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.356 -12.252 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.048 -10.715 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 103.474 -12.114 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 104.321 -10.727 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 104.619 -12.217 9.011 1.00 0.00 H new ATOM 123 N GLU A 20 98.987 -6.836 10.934 1.00 0.00 N ATOM 124 CA GLU A 20 97.637 -6.605 10.440 1.00 0.00 C ATOM 125 C GLU A 20 97.480 -5.157 9.983 1.00 0.00 C ATOM 126 O GLU A 20 96.530 -4.816 9.278 1.00 0.00 O ATOM 127 CB GLU A 20 96.605 -6.928 11.522 1.00 0.00 C ATOM 128 CG GLU A 20 96.040 -8.335 11.424 1.00 0.00 C ATOM 129 CD GLU A 20 96.709 -9.299 12.385 1.00 0.00 C ATOM 130 OE1 GLU A 20 96.238 -9.414 13.536 1.00 0.00 O ATOM 131 OE2 GLU A 20 97.704 -9.940 11.986 1.00 0.00 O ATOM 0 H GLU A 20 99.077 -6.814 11.950 1.00 0.00 H new ATOM 0 HA GLU A 20 97.466 -7.264 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 20 97.065 -6.798 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 20 95.786 -6.211 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 20 94.970 -8.308 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.161 -8.701 10.404 1.00 0.00 H new ATOM 138 N SER A 21 98.423 -4.309 10.391 1.00 0.00 N ATOM 139 CA SER A 21 98.404 -2.901 10.033 1.00 0.00 C ATOM 140 C SER A 21 99.453 -2.597 8.971 1.00 0.00 C ATOM 141 O SER A 21 99.139 -2.036 7.921 1.00 0.00 O ATOM 142 CB SER A 21 98.666 -2.051 11.268 1.00 0.00 C ATOM 143 OG SER A 21 97.558 -1.220 11.566 1.00 0.00 O ATOM 0 H SER A 21 99.214 -4.581 10.975 1.00 0.00 H new ATOM 0 HA SER A 21 97.421 -2.664 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 21 98.877 -2.698 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 21 99.552 -1.436 11.108 1.00 0.00 H new ATOM 0 HG SER A 21 97.263 -0.763 10.751 1.00 0.00 H new ATOM 149 N LEU A 22 100.703 -2.977 9.242 1.00 0.00 N ATOM 150 CA LEU A 22 101.783 -2.744 8.292 1.00 0.00 C ATOM 151 C LEU A 22 101.464 -3.409 6.959 1.00 0.00 C ATOM 152 O LEU A 22 102.014 -3.045 5.920 1.00 0.00 O ATOM 153 CB LEU A 22 103.108 -3.274 8.842 1.00 0.00 C ATOM 154 CG LEU A 22 103.193 -4.795 8.970 1.00 0.00 C ATOM 155 CD1 LEU A 22 103.807 -5.402 7.718 1.00 0.00 C ATOM 156 CD2 LEU A 22 103.998 -5.182 10.202 1.00 0.00 C ATOM 0 H LEU A 22 100.987 -3.443 10.104 1.00 0.00 H new ATOM 0 HA LEU A 22 101.879 -1.669 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 22 103.915 -2.933 8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 22 103.279 -2.832 9.823 1.00 0.00 H new ATOM 0 HG LEU A 22 102.183 -5.188 9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 22 103.860 -6.485 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 22 103.191 -5.154 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 22 104.811 -5.003 7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 22 104.048 -6.268 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 22 105.007 -4.777 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 22 103.517 -4.778 11.093 1.00 0.00 H new ATOM 168 N SER A 23 100.558 -4.380 7.000 1.00 0.00 N ATOM 169 CA SER A 23 100.144 -5.096 5.802 1.00 0.00 C ATOM 170 C SER A 23 98.794 -4.585 5.308 1.00 0.00 C ATOM 171 O SER A 23 98.444 -4.767 4.142 1.00 0.00 O ATOM 172 CB SER A 23 100.066 -6.598 6.079 1.00 0.00 C ATOM 173 OG SER A 23 100.266 -7.347 4.893 1.00 0.00 O ATOM 0 H SER A 23 100.095 -4.689 7.855 1.00 0.00 H new ATOM 0 HA SER A 23 100.888 -4.919 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 23 100.818 -6.874 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 23 99.094 -6.842 6.507 1.00 0.00 H new ATOM 0 HG SER A 23 100.213 -8.304 5.098 1.00 0.00 H new ATOM 179 N SER A 24 98.036 -3.943 6.197 1.00 0.00 N ATOM 180 CA SER A 24 96.728 -3.409 5.830 1.00 0.00 C ATOM 181 C SER A 24 96.808 -1.920 5.507 1.00 0.00 C ATOM 182 O SER A 24 95.831 -1.321 5.054 1.00 0.00 O ATOM 183 CB SER A 24 95.717 -3.651 6.951 1.00 0.00 C ATOM 184 OG SER A 24 94.415 -3.250 6.558 1.00 0.00 O ATOM 0 H SER A 24 98.304 -3.782 7.168 1.00 0.00 H new ATOM 0 HA SER A 24 96.395 -3.933 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.711 -4.708 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 24 96.018 -3.099 7.842 1.00 0.00 H new ATOM 0 HG SER A 24 94.480 -2.578 5.848 1.00 0.00 H new ATOM 190 N TYR A 25 97.976 -1.330 5.727 1.00 0.00 N ATOM 191 CA TYR A 25 98.187 0.082 5.444 1.00 0.00 C ATOM 192 C TYR A 25 99.267 0.256 4.383 1.00 0.00 C ATOM 193 O TYR A 25 99.524 1.367 3.920 1.00 0.00 O ATOM 194 CB TYR A 25 98.574 0.834 6.719 1.00 0.00 C ATOM 195 CG TYR A 25 97.388 1.279 7.545 1.00 0.00 C ATOM 196 CD1 TYR A 25 96.805 0.426 8.474 1.00 0.00 C ATOM 197 CD2 TYR A 25 96.851 2.551 7.394 1.00 0.00 C ATOM 198 CE1 TYR A 25 95.721 0.830 9.231 1.00 0.00 C ATOM 199 CE2 TYR A 25 95.766 2.962 8.146 1.00 0.00 C ATOM 200 CZ TYR A 25 95.206 2.098 9.062 1.00 0.00 C ATOM 201 OH TYR A 25 94.126 2.502 9.813 1.00 0.00 O ATOM 0 H TYR A 25 98.794 -1.810 6.102 1.00 0.00 H new ATOM 0 HA TYR A 25 97.254 0.499 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 25 99.211 0.193 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 25 99.166 1.708 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 25 97.205 -0.568 8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 25 97.288 3.230 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 25 95.280 0.156 9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 25 95.360 3.954 8.016 1.00 0.00 H new ATOM 0 HH TYR A 25 93.887 3.422 9.574 1.00 0.00 H new ATOM 211 N TRP A 26 99.882 -0.855 3.987 1.00 0.00 N ATOM 212 CA TRP A 26 100.916 -0.831 2.965 1.00 0.00 C ATOM 213 C TRP A 26 100.299 -1.153 1.613 1.00 0.00 C ATOM 214 O TRP A 26 100.753 -0.667 0.577 1.00 0.00 O ATOM 215 CB TRP A 26 102.023 -1.833 3.295 1.00 0.00 C ATOM 216 CG TRP A 26 103.139 -1.836 2.295 1.00 0.00 C ATOM 217 CD1 TRP A 26 103.052 -2.155 0.971 1.00 0.00 C ATOM 218 CD2 TRP A 26 104.510 -1.504 2.539 1.00 0.00 C ATOM 219 NE1 TRP A 26 104.285 -2.042 0.377 1.00 0.00 N ATOM 220 CE2 TRP A 26 105.197 -1.644 1.318 1.00 0.00 C ATOM 221 CE3 TRP A 26 105.224 -1.101 3.671 1.00 0.00 C ATOM 222 CZ2 TRP A 26 106.562 -1.396 1.199 1.00 0.00 C ATOM 223 CZ3 TRP A 26 106.580 -0.856 3.551 1.00 0.00 C ATOM 224 CH2 TRP A 26 107.236 -1.003 2.323 1.00 0.00 C ATOM 0 H TRP A 26 99.680 -1.782 4.361 1.00 0.00 H new ATOM 0 HA TRP A 26 101.359 0.164 2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 26 102.428 -1.604 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 26 101.593 -2.833 3.352 1.00 0.00 H new ATOM 0 HD1 TRP A 26 102.146 -2.453 0.464 1.00 0.00 H new ATOM 0 HE1 TRP A 26 104.489 -2.225 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 26 104.726 -0.983 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 107.071 -1.510 0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 107.142 -0.546 4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 26 108.295 -0.802 2.262 1.00 0.00 H new ATOM 235 N GLU A 27 99.246 -1.964 1.638 1.00 0.00 N ATOM 236 CA GLU A 27 98.546 -2.341 0.421 1.00 0.00 C ATOM 237 C GLU A 27 97.493 -1.297 0.068 1.00 0.00 C ATOM 238 O GLU A 27 97.079 -1.183 -1.085 1.00 0.00 O ATOM 239 CB GLU A 27 97.895 -3.715 0.578 1.00 0.00 C ATOM 240 CG GLU A 27 97.819 -4.505 -0.718 1.00 0.00 C ATOM 241 CD GLU A 27 97.402 -5.946 -0.499 1.00 0.00 C ATOM 242 OE1 GLU A 27 96.190 -6.194 -0.319 1.00 0.00 O ATOM 243 OE2 GLU A 27 98.287 -6.828 -0.507 1.00 0.00 O ATOM 0 H GLU A 27 98.861 -2.372 2.490 1.00 0.00 H new ATOM 0 HA GLU A 27 99.273 -2.393 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 27 98.457 -4.292 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.888 -3.587 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.110 -4.024 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.791 -4.483 -1.210 1.00 0.00 H new ATOM 250 N SER A 28 97.075 -0.528 1.068 1.00 0.00 N ATOM 251 CA SER A 28 96.085 0.516 0.863 1.00 0.00 C ATOM 252 C SER A 28 96.759 1.780 0.364 1.00 0.00 C ATOM 253 O SER A 28 96.277 2.437 -0.558 1.00 0.00 O ATOM 254 CB SER A 28 95.345 0.798 2.168 1.00 0.00 C ATOM 255 OG SER A 28 94.054 1.329 1.923 1.00 0.00 O ATOM 0 H SER A 28 97.409 -0.611 2.028 1.00 0.00 H new ATOM 0 HA SER A 28 95.367 0.180 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 28 95.259 -0.122 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.921 1.500 2.771 1.00 0.00 H new ATOM 0 HG SER A 28 93.603 1.498 2.776 1.00 0.00 H new ATOM 261 N ALA A 29 97.891 2.103 0.973 1.00 0.00 N ATOM 262 CA ALA A 29 98.654 3.280 0.584 1.00 0.00 C ATOM 263 C ALA A 29 98.954 3.244 -0.909 1.00 0.00 C ATOM 264 O ALA A 29 99.114 4.284 -1.547 1.00 0.00 O ATOM 265 CB ALA A 29 99.943 3.369 1.388 1.00 0.00 C ATOM 0 H ALA A 29 98.301 1.567 1.738 1.00 0.00 H new ATOM 0 HA ALA A 29 98.058 4.168 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 29 100.501 4.255 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 29 99.706 3.436 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 29 100.547 2.480 1.207 1.00 0.00 H new ATOM 271 N LYS A 30 99.015 2.034 -1.460 1.00 0.00 N ATOM 272 CA LYS A 30 99.278 1.854 -2.880 1.00 0.00 C ATOM 273 C LYS A 30 97.969 1.801 -3.662 1.00 0.00 C ATOM 274 O LYS A 30 97.933 2.121 -4.851 1.00 0.00 O ATOM 275 CB LYS A 30 100.081 0.574 -3.116 1.00 0.00 C ATOM 276 CG LYS A 30 100.917 0.605 -4.384 1.00 0.00 C ATOM 277 CD LYS A 30 100.117 0.145 -5.591 1.00 0.00 C ATOM 278 CE LYS A 30 100.406 -1.309 -5.929 1.00 0.00 C ATOM 279 NZ LYS A 30 99.526 -1.811 -7.021 1.00 0.00 N ATOM 0 H LYS A 30 98.885 1.165 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 30 99.862 2.705 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 30 100.737 0.404 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 30 99.395 -0.272 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 30 101.284 1.617 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 30 101.791 -0.035 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.052 0.269 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 30 100.356 0.774 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 30 101.449 -1.412 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 30 100.267 -1.923 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.755 -2.806 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.531 -1.737 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.677 -1.242 -7.878 1.00 0.00 H new ATOM 293 N THR A 31 96.892 1.397 -2.989 1.00 0.00 N ATOM 294 CA THR A 31 95.584 1.307 -3.627 1.00 0.00 C ATOM 295 C THR A 31 94.954 2.689 -3.775 1.00 0.00 C ATOM 296 O THR A 31 94.156 2.921 -4.683 1.00 0.00 O ATOM 297 CB THR A 31 94.659 0.396 -2.816 1.00 0.00 C ATOM 298 OG1 THR A 31 95.215 -0.902 -2.698 1.00 0.00 O ATOM 299 CG2 THR A 31 93.280 0.250 -3.422 1.00 0.00 C ATOM 0 H THR A 31 96.902 1.128 -2.005 1.00 0.00 H new ATOM 0 HA THR A 31 95.721 0.882 -4.621 1.00 0.00 H new ATOM 0 HB THR A 31 94.561 0.876 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.570 -1.025 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 31 92.676 -0.408 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 31 92.804 1.229 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 31 93.365 -0.176 -4.422 1.00 0.00 H new ATOM 307 N ALA A 32 95.315 3.605 -2.879 1.00 0.00 N ATOM 308 CA ALA A 32 94.779 4.961 -2.918 1.00 0.00 C ATOM 309 C ALA A 32 95.840 5.975 -3.340 1.00 0.00 C ATOM 310 O ALA A 32 95.614 7.183 -3.270 1.00 0.00 O ATOM 311 CB ALA A 32 94.197 5.336 -1.564 1.00 0.00 C ATOM 0 H ALA A 32 95.974 3.433 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 32 93.986 4.983 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 93.800 6.350 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 32 93.395 4.643 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 32 94.978 5.283 -0.805 1.00 0.00 H new ATOM 317 N ALA A 33 96.993 5.483 -3.783 1.00 0.00 N ATOM 318 CA ALA A 33 98.074 6.357 -4.219 1.00 0.00 C ATOM 319 C ALA A 33 98.018 6.569 -5.726 1.00 0.00 C ATOM 320 O ALA A 33 98.000 7.702 -6.204 1.00 0.00 O ATOM 321 CB ALA A 33 99.421 5.782 -3.811 1.00 0.00 C ATOM 0 H ALA A 33 97.201 4.487 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 33 97.950 7.324 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 33 100.217 6.448 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 33 99.461 5.684 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 33 99.552 4.802 -4.269 1.00 0.00 H new ATOM 327 N GLN A 34 97.983 5.469 -6.469 1.00 0.00 N ATOM 328 CA GLN A 34 97.919 5.532 -7.923 1.00 0.00 C ATOM 329 C GLN A 34 96.637 6.222 -8.381 1.00 0.00 C ATOM 330 O GLN A 34 96.543 6.686 -9.517 1.00 0.00 O ATOM 331 CB GLN A 34 97.999 4.126 -8.522 1.00 0.00 C ATOM 332 CG GLN A 34 99.340 3.447 -8.301 1.00 0.00 C ATOM 333 CD GLN A 34 100.058 3.134 -9.600 1.00 0.00 C ATOM 334 OE1 GLN A 34 99.427 2.921 -10.635 1.00 0.00 O ATOM 335 NE2 GLN A 34 101.384 3.102 -9.550 1.00 0.00 N ATOM 0 H GLN A 34 97.998 4.523 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 34 98.770 6.116 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 34 97.213 3.509 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.803 4.184 -9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 34 99.971 4.090 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 34 99.187 2.523 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 34 101.866 3.285 -8.670 1.00 0.00 H new ATOM 0 HE22 GLN A 34 101.921 2.894 -10.392 1.00 0.00 H new ATOM 344 N ASN A 35 95.653 6.287 -7.489 1.00 0.00 N ATOM 345 CA ASN A 35 94.380 6.920 -7.799 1.00 0.00 C ATOM 346 C ASN A 35 94.518 8.437 -7.803 1.00 0.00 C ATOM 347 O ASN A 35 94.254 9.096 -8.808 1.00 0.00 O ATOM 348 CB ASN A 35 93.329 6.502 -6.772 1.00 0.00 C ATOM 349 CG ASN A 35 91.926 6.494 -7.346 1.00 0.00 C ATOM 350 OD1 ASN A 35 91.741 6.492 -8.563 1.00 0.00 O ATOM 351 ND2 ASN A 35 90.929 6.492 -6.470 1.00 0.00 N ATOM 0 H ASN A 35 95.715 5.907 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 35 94.068 6.597 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 35 93.569 5.508 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 35 93.366 7.183 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 35 89.963 6.489 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 35 91.129 6.494 -5.470 1.00 0.00 H new ATOM 358 N LEU A 36 94.931 8.983 -6.664 1.00 0.00 N ATOM 359 CA LEU A 36 95.103 10.426 -6.527 1.00 0.00 C ATOM 360 C LEU A 36 96.320 10.913 -7.308 1.00 0.00 C ATOM 361 O LEU A 36 96.293 11.987 -7.905 1.00 0.00 O ATOM 362 CB LEU A 36 95.243 10.805 -5.051 1.00 0.00 C ATOM 363 CG LEU A 36 96.515 10.297 -4.368 1.00 0.00 C ATOM 364 CD1 LEU A 36 97.611 11.349 -4.434 1.00 0.00 C ATOM 365 CD2 LEU A 36 96.228 9.915 -2.923 1.00 0.00 C ATOM 0 H LEU A 36 95.153 8.450 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 36 94.218 10.910 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 95.213 11.891 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 36 94.379 10.419 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 36 96.859 9.408 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 36 98.508 10.971 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 36 97.835 11.576 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.276 12.255 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.144 9.556 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 95.860 10.787 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 36 95.474 9.128 -2.898 1.00 0.00 H new ATOM 377 N TYR A 37 97.386 10.118 -7.298 1.00 0.00 N ATOM 378 CA TYR A 37 98.612 10.473 -8.007 1.00 0.00 C ATOM 379 C TYR A 37 98.413 10.449 -9.521 1.00 0.00 C ATOM 380 O TYR A 37 99.279 10.897 -10.273 1.00 0.00 O ATOM 381 CB TYR A 37 99.745 9.522 -7.617 1.00 0.00 C ATOM 382 CG TYR A 37 100.218 9.694 -6.192 1.00 0.00 C ATOM 383 CD1 TYR A 37 100.423 10.959 -5.655 1.00 0.00 C ATOM 384 CD2 TYR A 37 100.463 8.591 -5.383 1.00 0.00 C ATOM 385 CE1 TYR A 37 100.856 11.121 -4.354 1.00 0.00 C ATOM 386 CE2 TYR A 37 100.896 8.745 -4.079 1.00 0.00 C ATOM 387 CZ TYR A 37 101.091 10.011 -3.570 1.00 0.00 C ATOM 388 OH TYR A 37 101.523 10.168 -2.273 1.00 0.00 O ATOM 0 H TYR A 37 97.426 9.225 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 37 98.877 11.490 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 37 99.410 8.494 -7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 37 100.587 9.678 -8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 37 100.240 11.831 -6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 37 100.313 7.598 -5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 37 101.010 12.112 -3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 37 101.080 7.878 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 37 101.640 9.288 -1.858 1.00 0.00 H new ATOM 398 N GLU A 38 97.276 9.925 -9.966 1.00 0.00 N ATOM 399 CA GLU A 38 96.981 9.848 -11.391 1.00 0.00 C ATOM 400 C GLU A 38 96.171 11.055 -11.859 1.00 0.00 C ATOM 401 O GLU A 38 96.054 11.302 -13.059 1.00 0.00 O ATOM 402 CB GLU A 38 96.219 8.558 -11.705 1.00 0.00 C ATOM 403 CG GLU A 38 97.120 7.405 -12.116 1.00 0.00 C ATOM 404 CD GLU A 38 96.340 6.148 -12.451 1.00 0.00 C ATOM 405 OE1 GLU A 38 95.404 6.232 -13.273 1.00 0.00 O ATOM 406 OE2 GLU A 38 96.666 5.080 -11.892 1.00 0.00 O ATOM 0 H GLU A 38 96.546 9.548 -9.362 1.00 0.00 H new ATOM 0 HA GLU A 38 97.930 9.847 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 38 95.643 8.263 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 38 95.505 8.753 -12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 38 97.713 7.702 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 38 97.820 7.190 -11.309 1.00 0.00 H new ATOM 413 N LYS A 39 95.608 11.803 -10.914 1.00 0.00 N ATOM 414 CA LYS A 39 94.809 12.975 -11.255 1.00 0.00 C ATOM 415 C LYS A 39 95.033 14.117 -10.266 1.00 0.00 C ATOM 416 O LYS A 39 94.128 14.913 -10.016 1.00 0.00 O ATOM 417 CB LYS A 39 93.325 12.608 -11.294 1.00 0.00 C ATOM 418 CG LYS A 39 92.955 11.690 -12.448 1.00 0.00 C ATOM 419 CD LYS A 39 92.780 12.466 -13.743 1.00 0.00 C ATOM 420 CE LYS A 39 91.673 11.877 -14.601 1.00 0.00 C ATOM 421 NZ LYS A 39 92.009 11.922 -16.051 1.00 0.00 N ATOM 0 H LYS A 39 95.689 11.620 -9.914 1.00 0.00 H new ATOM 0 HA LYS A 39 95.127 13.315 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 39 93.054 12.125 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 39 92.735 13.522 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 93.731 10.935 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 39 92.032 11.161 -12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 92.551 13.507 -13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 93.716 12.460 -14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 39 91.493 10.844 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.747 12.425 -14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 91.228 11.511 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 92.156 12.909 -16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 92.878 11.377 -16.223 1.00 0.00 H new ATOM 435 N THR A 40 96.239 14.201 -9.710 1.00 0.00 N ATOM 436 CA THR A 40 96.557 15.261 -8.758 1.00 0.00 C ATOM 437 C THR A 40 97.662 16.167 -9.289 1.00 0.00 C ATOM 438 O THR A 40 97.492 17.383 -9.374 1.00 0.00 O ATOM 439 CB THR A 40 96.953 14.675 -7.399 1.00 0.00 C ATOM 440 OG1 THR A 40 97.153 15.707 -6.449 1.00 0.00 O ATOM 441 CG2 THR A 40 98.217 13.843 -7.439 1.00 0.00 C ATOM 0 H THR A 40 97.005 13.555 -9.900 1.00 0.00 H new ATOM 0 HA THR A 40 95.659 15.864 -8.625 1.00 0.00 H new ATOM 0 HB THR A 40 96.123 14.026 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 40 97.404 15.314 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 40 98.434 13.462 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 40 98.081 13.007 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 40 99.048 14.460 -7.780 1.00 0.00 H new ATOM 449 N TYR A 41 98.794 15.573 -9.641 1.00 0.00 N ATOM 450 CA TYR A 41 99.923 16.330 -10.155 1.00 0.00 C ATOM 451 C TYR A 41 100.909 15.430 -10.891 1.00 0.00 C ATOM 452 O TYR A 41 102.106 15.708 -10.935 1.00 0.00 O ATOM 453 CB TYR A 41 100.626 17.032 -9.002 1.00 0.00 C ATOM 454 CG TYR A 41 101.022 18.460 -9.303 1.00 0.00 C ATOM 455 CD1 TYR A 41 102.049 18.742 -10.196 1.00 0.00 C ATOM 456 CD2 TYR A 41 100.370 19.526 -8.697 1.00 0.00 C ATOM 457 CE1 TYR A 41 102.415 20.046 -10.475 1.00 0.00 C ATOM 458 CE2 TYR A 41 100.729 20.832 -8.970 1.00 0.00 C ATOM 459 CZ TYR A 41 101.751 21.086 -9.859 1.00 0.00 C ATOM 460 OH TYR A 41 102.112 22.385 -10.134 1.00 0.00 O ATOM 0 H TYR A 41 98.953 14.567 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 41 99.547 17.066 -10.866 1.00 0.00 H new ATOM 0 HB2 TYR A 41 99.971 17.023 -8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 41 101.519 16.466 -8.735 1.00 0.00 H new ATOM 0 HD1 TYR A 41 102.570 17.929 -10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 41 99.568 19.331 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 41 103.216 20.249 -11.171 1.00 0.00 H new ATOM 0 HE2 TYR A 41 100.212 21.649 -8.489 1.00 0.00 H new ATOM 0 HH TYR A 41 101.546 22.998 -9.619 1.00 0.00 H new ATOM 470 N LEU A 42 100.397 14.351 -11.469 1.00 0.00 N ATOM 471 CA LEU A 42 101.235 13.408 -12.203 1.00 0.00 C ATOM 472 C LEU A 42 100.404 12.595 -13.196 1.00 0.00 C ATOM 473 O LEU A 42 99.655 11.701 -12.800 1.00 0.00 O ATOM 474 CB LEU A 42 101.950 12.459 -11.235 1.00 0.00 C ATOM 475 CG LEU A 42 102.914 13.127 -10.250 1.00 0.00 C ATOM 476 CD1 LEU A 42 103.451 12.106 -9.258 1.00 0.00 C ATOM 477 CD2 LEU A 42 104.059 13.800 -10.994 1.00 0.00 C ATOM 0 H LEU A 42 99.407 14.106 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 42 101.977 13.984 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 42 101.197 11.913 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.505 11.724 -11.818 1.00 0.00 H new ATOM 0 HG LEU A 42 102.367 13.892 -9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.135 12.597 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.622 11.669 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.982 11.320 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.733 14.269 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 42 104.605 13.055 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.660 14.559 -11.667 1.00 0.00 H new ATOM 489 N PRO A 43 100.524 12.890 -14.504 1.00 0.00 N ATOM 490 CA PRO A 43 99.777 12.172 -15.541 1.00 0.00 C ATOM 491 C PRO A 43 100.243 10.727 -15.689 1.00 0.00 C ATOM 492 O PRO A 43 99.432 9.801 -15.706 1.00 0.00 O ATOM 493 CB PRO A 43 100.076 12.966 -16.816 1.00 0.00 C ATOM 494 CG PRO A 43 101.372 13.648 -16.547 1.00 0.00 C ATOM 495 CD PRO A 43 101.392 13.937 -15.072 1.00 0.00 C ATOM 0 HA PRO A 43 98.714 12.108 -15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 43 100.148 12.309 -17.683 1.00 0.00 H new ATOM 0 HB3 PRO A 43 99.286 13.687 -17.027 1.00 0.00 H new ATOM 0 HG2 PRO A 43 102.212 13.015 -16.832 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.456 14.568 -17.126 1.00 0.00 H new ATOM 0 HD2 PRO A 43 102.402 13.884 -14.666 1.00 0.00 H new ATOM 0 HD3 PRO A 43 101.012 14.935 -14.853 1.00 0.00 H new ATOM 503 N ALA A 44 101.555 10.542 -15.795 1.00 0.00 N ATOM 504 CA ALA A 44 102.132 9.210 -15.937 1.00 0.00 C ATOM 505 C ALA A 44 103.487 9.114 -15.248 1.00 0.00 C ATOM 506 O ALA A 44 104.262 8.196 -15.514 1.00 0.00 O ATOM 507 CB ALA A 44 102.255 8.841 -17.408 1.00 0.00 C ATOM 0 H ALA A 44 102.239 11.298 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 44 101.462 8.501 -15.451 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.687 7.844 -17.498 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.268 8.852 -17.870 1.00 0.00 H new ATOM 0 HB3 ALA A 44 102.899 9.562 -17.912 1.00 0.00 H new ATOM 513 N VAL A 45 103.762 10.051 -14.348 1.00 0.00 N ATOM 514 CA VAL A 45 105.014 10.043 -13.611 1.00 0.00 C ATOM 515 C VAL A 45 104.928 9.025 -12.483 1.00 0.00 C ATOM 516 O VAL A 45 105.920 8.406 -12.106 1.00 0.00 O ATOM 517 CB VAL A 45 105.349 11.426 -13.021 1.00 0.00 C ATOM 518 CG1 VAL A 45 106.855 11.625 -12.940 1.00 0.00 C ATOM 519 CG2 VAL A 45 104.703 12.542 -13.831 1.00 0.00 C ATOM 0 H VAL A 45 103.136 10.822 -14.114 1.00 0.00 H new ATOM 0 HA VAL A 45 105.808 9.778 -14.310 1.00 0.00 H new ATOM 0 HB VAL A 45 104.941 11.466 -12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 45 107.070 12.608 -12.521 1.00 0.00 H new ATOM 0 HG12 VAL A 45 107.290 10.855 -12.302 1.00 0.00 H new ATOM 0 HG13 VAL A 45 107.286 11.555 -13.939 1.00 0.00 H new ATOM 0 HG21 VAL A 45 104.958 13.506 -13.390 1.00 0.00 H new ATOM 0 HG22 VAL A 45 105.068 12.505 -14.857 1.00 0.00 H new ATOM 0 HG23 VAL A 45 103.620 12.415 -13.826 1.00 0.00 H new ATOM 529 N ASP A 46 103.719 8.841 -11.960 1.00 0.00 N ATOM 530 CA ASP A 46 103.492 7.879 -10.894 1.00 0.00 C ATOM 531 C ASP A 46 103.663 6.462 -11.430 1.00 0.00 C ATOM 532 O ASP A 46 103.949 5.531 -10.678 1.00 0.00 O ATOM 533 CB ASP A 46 102.090 8.053 -10.306 1.00 0.00 C ATOM 534 CG ASP A 46 102.026 7.664 -8.842 1.00 0.00 C ATOM 535 OD1 ASP A 46 102.800 8.231 -8.043 1.00 0.00 O ATOM 536 OD2 ASP A 46 101.200 6.794 -8.494 1.00 0.00 O ATOM 0 H ASP A 46 102.885 9.346 -12.259 1.00 0.00 H new ATOM 0 HA ASP A 46 104.223 8.053 -10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 46 101.778 9.092 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 46 101.383 7.446 -10.872 1.00 0.00 H new ATOM 541 N GLU A 47 103.498 6.310 -12.745 1.00 0.00 N ATOM 542 CA GLU A 47 103.646 5.011 -13.390 1.00 0.00 C ATOM 543 C GLU A 47 104.888 4.985 -14.280 1.00 0.00 C ATOM 544 O GLU A 47 105.116 4.022 -15.012 1.00 0.00 O ATOM 545 CB GLU A 47 102.404 4.685 -14.220 1.00 0.00 C ATOM 546 CG GLU A 47 101.231 4.188 -13.390 1.00 0.00 C ATOM 547 CD GLU A 47 99.982 3.967 -14.220 1.00 0.00 C ATOM 548 OE1 GLU A 47 99.791 4.702 -15.212 1.00 0.00 O ATOM 549 OE2 GLU A 47 99.195 3.060 -13.879 1.00 0.00 O ATOM 0 H GLU A 47 103.262 7.072 -13.381 1.00 0.00 H new ATOM 0 HA GLU A 47 103.761 4.257 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 47 102.099 5.577 -14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 47 102.661 3.928 -14.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 101.507 3.254 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 47 101.016 4.910 -12.602 1.00 0.00 H new ATOM 556 N LYS A 48 105.689 6.047 -14.212 1.00 0.00 N ATOM 557 CA LYS A 48 106.904 6.143 -15.010 1.00 0.00 C ATOM 558 C LYS A 48 108.100 6.504 -14.135 1.00 0.00 C ATOM 559 O LYS A 48 109.165 5.896 -14.245 1.00 0.00 O ATOM 560 CB LYS A 48 106.735 7.186 -16.117 1.00 0.00 C ATOM 561 CG LYS A 48 107.903 7.238 -17.087 1.00 0.00 C ATOM 562 CD LYS A 48 107.528 7.959 -18.371 1.00 0.00 C ATOM 563 CE LYS A 48 108.521 7.668 -19.485 1.00 0.00 C ATOM 564 NZ LYS A 48 109.843 8.307 -19.233 1.00 0.00 N ATOM 0 H LYS A 48 105.516 6.853 -13.611 1.00 0.00 H new ATOM 0 HA LYS A 48 107.087 5.169 -15.465 1.00 0.00 H new ATOM 0 HB2 LYS A 48 105.822 6.970 -16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.607 8.168 -15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 48 108.746 7.745 -16.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 108.230 6.224 -17.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 106.530 7.653 -18.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 107.489 9.033 -18.188 1.00 0.00 H new ATOM 0 HE2 LYS A 48 108.652 6.590 -19.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 108.119 8.027 -20.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 110.491 8.084 -20.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 109.723 9.338 -19.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 110.239 7.945 -18.342 1.00 0.00 H new ATOM 578 N LEU A 49 107.919 7.492 -13.262 1.00 0.00 N ATOM 579 CA LEU A 49 108.991 7.921 -12.369 1.00 0.00 C ATOM 580 C LEU A 49 109.503 6.755 -11.529 1.00 0.00 C ATOM 581 O LEU A 49 110.665 6.735 -11.120 1.00 0.00 O ATOM 582 CB LEU A 49 108.505 9.044 -11.451 1.00 0.00 C ATOM 583 CG LEU A 49 109.593 10.013 -10.983 1.00 0.00 C ATOM 584 CD1 LEU A 49 110.573 9.307 -10.059 1.00 0.00 C ATOM 585 CD2 LEU A 49 110.320 10.612 -12.177 1.00 0.00 C ATOM 0 H LEU A 49 107.046 8.008 -13.154 1.00 0.00 H new ATOM 0 HA LEU A 49 109.810 8.292 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 49 107.734 9.611 -11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.035 8.598 -10.574 1.00 0.00 H new ATOM 0 HG LEU A 49 109.120 10.822 -10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 111.340 10.011 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 49 110.041 8.925 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 49 111.042 8.479 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 49 111.090 11.299 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 110.782 9.815 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 49 109.609 11.152 -12.802 1.00 0.00 H new ATOM 597 N ARG A 50 108.630 5.785 -11.273 1.00 0.00 N ATOM 598 CA ARG A 50 108.996 4.618 -10.480 1.00 0.00 C ATOM 599 C ARG A 50 109.189 3.393 -11.369 1.00 0.00 C ATOM 600 O ARG A 50 110.041 2.546 -11.098 1.00 0.00 O ATOM 601 CB ARG A 50 107.924 4.334 -9.426 1.00 0.00 C ATOM 602 CG ARG A 50 106.574 3.962 -10.017 1.00 0.00 C ATOM 603 CD ARG A 50 105.525 3.770 -8.933 1.00 0.00 C ATOM 604 NE ARG A 50 105.280 4.999 -8.181 1.00 0.00 N ATOM 605 CZ ARG A 50 105.980 5.369 -7.110 1.00 0.00 C ATOM 606 NH1 ARG A 50 106.973 4.611 -6.658 1.00 0.00 N ATOM 607 NH2 ARG A 50 105.687 6.502 -6.488 1.00 0.00 N ATOM 0 H ARG A 50 107.665 5.785 -11.603 1.00 0.00 H new ATOM 0 HA ARG A 50 109.940 4.833 -9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 50 108.265 3.524 -8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 50 107.805 5.214 -8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 50 106.249 4.743 -10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 106.670 3.045 -10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 50 104.594 3.431 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 50 105.850 2.986 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 50 104.527 5.611 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 50 107.205 3.738 -7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 50 107.504 4.902 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 50 104.926 7.089 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 50 106.222 6.787 -5.668 1.00 0.00 H new ATOM 621 N ASP A 51 108.393 3.304 -12.430 1.00 0.00 N ATOM 622 CA ASP A 51 108.480 2.180 -13.356 1.00 0.00 C ATOM 623 C ASP A 51 109.869 2.094 -13.977 1.00 0.00 C ATOM 624 O ASP A 51 110.445 1.012 -14.084 1.00 0.00 O ATOM 625 CB ASP A 51 107.422 2.309 -14.454 1.00 0.00 C ATOM 626 CG ASP A 51 106.115 1.637 -14.079 1.00 0.00 C ATOM 627 OD1 ASP A 51 105.824 1.537 -12.869 1.00 0.00 O ATOM 628 OD2 ASP A 51 105.384 1.212 -14.997 1.00 0.00 O ATOM 0 H ASP A 51 107.682 3.995 -12.670 1.00 0.00 H new ATOM 0 HA ASP A 51 108.296 1.265 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.240 3.364 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.803 1.868 -15.375 1.00 0.00 H new ATOM 633 N LEU A 52 110.404 3.242 -14.376 1.00 0.00 N ATOM 634 CA LEU A 52 111.731 3.295 -14.978 1.00 0.00 C ATOM 635 C LEU A 52 112.809 3.489 -13.913 1.00 0.00 C ATOM 636 O LEU A 52 113.962 3.785 -14.229 1.00 0.00 O ATOM 637 CB LEU A 52 111.804 4.424 -16.009 1.00 0.00 C ATOM 638 CG LEU A 52 112.568 4.082 -17.291 1.00 0.00 C ATOM 639 CD1 LEU A 52 111.847 4.638 -18.510 1.00 0.00 C ATOM 640 CD2 LEU A 52 113.991 4.619 -17.223 1.00 0.00 C ATOM 0 H LEU A 52 109.941 4.147 -14.294 1.00 0.00 H new ATOM 0 HA LEU A 52 111.911 2.344 -15.479 1.00 0.00 H new ATOM 0 HB2 LEU A 52 110.789 4.718 -16.276 1.00 0.00 H new ATOM 0 HB3 LEU A 52 112.274 5.290 -15.544 1.00 0.00 H new ATOM 0 HG LEU A 52 112.612 2.997 -17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 52 112.406 4.384 -19.411 1.00 0.00 H new ATOM 0 HD12 LEU A 52 110.848 4.207 -18.570 1.00 0.00 H new ATOM 0 HD13 LEU A 52 111.770 5.722 -18.424 1.00 0.00 H new ATOM 0 HD21 LEU A 52 114.519 4.367 -18.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 113.966 5.702 -17.104 1.00 0.00 H new ATOM 0 HD23 LEU A 52 114.508 4.173 -16.373 1.00 0.00 H new ATOM 652 N TYR A 53 112.426 3.320 -12.651 1.00 0.00 N ATOM 653 CA TYR A 53 113.349 3.475 -11.538 1.00 0.00 C ATOM 654 C TYR A 53 113.548 2.152 -10.812 1.00 0.00 C ATOM 655 O TYR A 53 114.617 1.888 -10.260 1.00 0.00 O ATOM 656 CB TYR A 53 112.809 4.509 -10.560 1.00 0.00 C ATOM 657 CG TYR A 53 113.718 5.701 -10.365 1.00 0.00 C ATOM 658 CD1 TYR A 53 113.623 6.814 -11.192 1.00 0.00 C ATOM 659 CD2 TYR A 53 114.673 5.713 -9.357 1.00 0.00 C ATOM 660 CE1 TYR A 53 114.452 7.905 -11.018 1.00 0.00 C ATOM 661 CE2 TYR A 53 115.505 6.801 -9.175 1.00 0.00 C ATOM 662 CZ TYR A 53 115.392 7.894 -10.008 1.00 0.00 C ATOM 663 OH TYR A 53 116.219 8.979 -9.832 1.00 0.00 O ATOM 0 H TYR A 53 111.475 3.074 -12.375 1.00 0.00 H new ATOM 0 HA TYR A 53 114.309 3.806 -11.934 1.00 0.00 H new ATOM 0 HB2 TYR A 53 111.839 4.858 -10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 53 112.642 4.030 -9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 53 112.889 6.826 -11.984 1.00 0.00 H new ATOM 0 HD2 TYR A 53 114.767 4.858 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 53 114.365 8.762 -11.669 1.00 0.00 H new ATOM 0 HE2 TYR A 53 116.240 6.795 -8.384 1.00 0.00 H new ATOM 0 HH TYR A 53 116.822 8.812 -9.078 1.00 0.00 H new ATOM 673 N SER A 54 112.508 1.323 -10.811 1.00 0.00 N ATOM 674 CA SER A 54 112.565 0.024 -10.146 1.00 0.00 C ATOM 675 C SER A 54 113.381 -0.983 -10.948 1.00 0.00 C ATOM 676 O SER A 54 113.256 -2.194 -10.768 1.00 0.00 O ATOM 677 CB SER A 54 111.155 -0.515 -9.895 1.00 0.00 C ATOM 678 OG SER A 54 111.196 -1.728 -9.163 1.00 0.00 O ATOM 0 H SER A 54 111.616 1.527 -11.263 1.00 0.00 H new ATOM 0 HA SER A 54 113.063 0.169 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 54 110.572 0.225 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 110.650 -0.678 -10.847 1.00 0.00 H new ATOM 0 HG SER A 54 111.943 -2.277 -9.481 1.00 0.00 H new ATOM 684 N LYS A 55 114.224 -0.461 -11.817 1.00 0.00 N ATOM 685 CA LYS A 55 115.097 -1.277 -12.651 1.00 0.00 C ATOM 686 C LYS A 55 116.393 -0.529 -12.958 1.00 0.00 C ATOM 687 O LYS A 55 117.381 -1.131 -13.381 1.00 0.00 O ATOM 688 CB LYS A 55 114.389 -1.664 -13.950 1.00 0.00 C ATOM 689 CG LYS A 55 114.907 -2.955 -14.564 1.00 0.00 C ATOM 690 CD LYS A 55 114.571 -4.158 -13.699 1.00 0.00 C ATOM 691 CE LYS A 55 113.342 -4.890 -14.214 1.00 0.00 C ATOM 692 NZ LYS A 55 112.694 -5.706 -13.151 1.00 0.00 N ATOM 0 H LYS A 55 114.326 0.543 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 55 115.341 -2.188 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 55 113.321 -1.767 -13.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.505 -0.856 -14.672 1.00 0.00 H new ATOM 0 HG2 LYS A 55 114.474 -3.087 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 55 115.987 -2.889 -14.694 1.00 0.00 H new ATOM 0 HD2 LYS A 55 115.420 -4.841 -13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 55 114.399 -3.833 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 55 112.626 -4.167 -14.603 1.00 0.00 H new ATOM 0 HE3 LYS A 55 113.626 -5.536 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 111.860 -6.189 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.369 -6.414 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 112.399 -5.087 -12.369 1.00 0.00 H new ATOM 706 N SER A 56 116.389 0.784 -12.729 1.00 0.00 N ATOM 707 CA SER A 56 117.568 1.604 -12.963 1.00 0.00 C ATOM 708 C SER A 56 118.468 1.569 -11.738 1.00 0.00 C ATOM 709 O SER A 56 119.660 1.280 -11.837 1.00 0.00 O ATOM 710 CB SER A 56 117.164 3.045 -13.280 1.00 0.00 C ATOM 711 OG SER A 56 116.845 3.196 -14.654 1.00 0.00 O ATOM 0 H SER A 56 115.580 1.299 -12.382 1.00 0.00 H new ATOM 0 HA SER A 56 118.112 1.203 -13.819 1.00 0.00 H new ATOM 0 HB2 SER A 56 116.305 3.327 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 117.978 3.720 -13.016 1.00 0.00 H new ATOM 0 HG SER A 56 115.892 3.403 -14.748 1.00 0.00 H new ATOM 717 N THR A 57 117.880 1.847 -10.580 1.00 0.00 N ATOM 718 CA THR A 57 118.620 1.827 -9.327 1.00 0.00 C ATOM 719 C THR A 57 118.022 0.813 -8.361 1.00 0.00 C ATOM 720 O THR A 57 118.325 0.821 -7.168 1.00 0.00 O ATOM 721 CB THR A 57 118.631 3.213 -8.689 1.00 0.00 C ATOM 722 OG1 THR A 57 118.444 4.220 -9.669 1.00 0.00 O ATOM 723 CG2 THR A 57 119.914 3.524 -7.949 1.00 0.00 C ATOM 0 H THR A 57 116.894 2.089 -10.484 1.00 0.00 H new ATOM 0 HA THR A 57 119.646 1.533 -9.547 1.00 0.00 H new ATOM 0 HB THR A 57 117.811 3.204 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.453 5.101 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 57 119.854 4.524 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.060 2.796 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.754 3.476 -8.642 1.00 0.00 H new ATOM 731 N ALA A 58 117.192 -0.074 -8.892 1.00 0.00 N ATOM 732 CA ALA A 58 116.573 -1.114 -8.087 1.00 0.00 C ATOM 733 C ALA A 58 117.564 -2.241 -7.874 1.00 0.00 C ATOM 734 O ALA A 58 117.863 -2.623 -6.742 1.00 0.00 O ATOM 735 CB ALA A 58 115.310 -1.633 -8.758 1.00 0.00 C ATOM 0 H ALA A 58 116.932 -0.093 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 58 116.291 -0.696 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 58 114.862 -2.411 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 58 114.601 -0.814 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 58 115.561 -2.046 -9.735 1.00 0.00 H new ATOM 741 N ALA A 59 118.091 -2.757 -8.979 1.00 0.00 N ATOM 742 CA ALA A 59 119.074 -3.825 -8.923 1.00 0.00 C ATOM 743 C ALA A 59 120.381 -3.321 -8.315 1.00 0.00 C ATOM 744 O ALA A 59 121.191 -4.108 -7.826 1.00 0.00 O ATOM 745 CB ALA A 59 119.318 -4.395 -10.312 1.00 0.00 C ATOM 0 H ALA A 59 117.852 -2.451 -9.922 1.00 0.00 H new ATOM 0 HA ALA A 59 118.684 -4.619 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 59 120.057 -5.194 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 59 118.385 -4.793 -10.711 1.00 0.00 H new ATOM 0 HB3 ALA A 59 119.687 -3.607 -10.969 1.00 0.00 H new ATOM 751 N MET A 60 120.580 -2.000 -8.339 1.00 0.00 N ATOM 752 CA MET A 60 121.787 -1.402 -7.781 1.00 0.00 C ATOM 753 C MET A 60 121.605 -1.117 -6.294 1.00 0.00 C ATOM 754 O MET A 60 122.564 -1.144 -5.523 1.00 0.00 O ATOM 755 CB MET A 60 122.133 -0.111 -8.523 1.00 0.00 C ATOM 756 CG MET A 60 123.589 0.302 -8.378 1.00 0.00 C ATOM 757 SD MET A 60 124.711 -0.782 -9.282 1.00 0.00 S ATOM 758 CE MET A 60 124.898 0.126 -10.815 1.00 0.00 C ATOM 0 H MET A 60 119.922 -1.331 -8.738 1.00 0.00 H new ATOM 0 HA MET A 60 122.608 -2.109 -7.903 1.00 0.00 H new ATOM 0 HB2 MET A 60 121.903 -0.237 -9.581 1.00 0.00 H new ATOM 0 HB3 MET A 60 121.497 0.693 -8.152 1.00 0.00 H new ATOM 0 HG2 MET A 60 123.710 1.324 -8.736 1.00 0.00 H new ATOM 0 HG3 MET A 60 123.860 0.300 -7.322 1.00 0.00 H new ATOM 0 HE1 MET A 60 125.566 -0.419 -11.481 1.00 0.00 H new ATOM 0 HE2 MET A 60 123.924 0.240 -11.291 1.00 0.00 H new ATOM 0 HE3 MET A 60 125.317 1.110 -10.606 1.00 0.00 H new ATOM 768 N SER A 61 120.365 -0.847 -5.901 1.00 0.00 N ATOM 769 CA SER A 61 120.046 -0.559 -4.508 1.00 0.00 C ATOM 770 C SER A 61 119.980 -1.839 -3.689 1.00 0.00 C ATOM 771 O SER A 61 120.766 -2.038 -2.763 1.00 0.00 O ATOM 772 CB SER A 61 118.715 0.190 -4.412 1.00 0.00 C ATOM 773 OG SER A 61 118.899 1.583 -4.598 1.00 0.00 O ATOM 0 H SER A 61 119.562 -0.822 -6.530 1.00 0.00 H new ATOM 0 HA SER A 61 120.839 0.069 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 61 118.024 -0.192 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 61 118.260 0.007 -3.438 1.00 0.00 H new ATOM 0 HG SER A 61 118.768 1.807 -5.543 1.00 0.00 H new ATOM 779 N THR A 62 119.030 -2.705 -4.032 1.00 0.00 N ATOM 780 CA THR A 62 118.850 -3.963 -3.335 1.00 0.00 C ATOM 781 C THR A 62 118.550 -3.736 -1.861 1.00 0.00 C ATOM 782 O THR A 62 118.494 -4.687 -1.086 1.00 0.00 O ATOM 783 CB THR A 62 120.107 -4.782 -3.459 1.00 0.00 C ATOM 784 OG1 THR A 62 120.466 -4.963 -4.818 1.00 0.00 O ATOM 785 CG2 THR A 62 120.018 -6.148 -2.812 1.00 0.00 C ATOM 0 H THR A 62 118.371 -2.551 -4.795 1.00 0.00 H new ATOM 0 HA THR A 62 118.006 -4.487 -3.784 1.00 0.00 H new ATOM 0 HB THR A 62 120.865 -4.207 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 62 121.286 -5.496 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 62 120.963 -6.676 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 62 119.812 -6.034 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 62 119.215 -6.719 -3.277 1.00 0.00 H new ATOM 793 N TYR A 63 118.366 -2.473 -1.475 1.00 0.00 N ATOM 794 CA TYR A 63 118.076 -2.128 -0.090 1.00 0.00 C ATOM 795 C TYR A 63 117.095 -3.117 0.520 1.00 0.00 C ATOM 796 O TYR A 63 117.122 -3.370 1.722 1.00 0.00 O ATOM 797 CB TYR A 63 117.505 -0.721 -0.001 1.00 0.00 C ATOM 798 CG TYR A 63 118.551 0.349 0.221 1.00 0.00 C ATOM 799 CD1 TYR A 63 119.492 0.227 1.236 1.00 0.00 C ATOM 800 CD2 TYR A 63 118.596 1.481 -0.583 1.00 0.00 C ATOM 801 CE1 TYR A 63 120.449 1.203 1.442 1.00 0.00 C ATOM 802 CE2 TYR A 63 119.550 2.461 -0.383 1.00 0.00 C ATOM 803 CZ TYR A 63 120.474 2.317 0.630 1.00 0.00 C ATOM 804 OH TYR A 63 121.425 3.290 0.832 1.00 0.00 O ATOM 0 H TYR A 63 118.414 -1.673 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 63 119.011 -2.171 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.962 -0.500 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 63 116.781 -0.683 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.475 -0.644 1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 63 117.874 1.597 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 63 121.174 1.093 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 63 119.571 3.335 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 63 121.305 4.007 0.174 1.00 0.00 H new ATOM 814 N THR A 64 116.238 -3.688 -0.322 1.00 0.00 N ATOM 815 CA THR A 64 115.265 -4.668 0.135 1.00 0.00 C ATOM 816 C THR A 64 115.953 -5.729 0.988 1.00 0.00 C ATOM 817 O THR A 64 115.342 -6.316 1.881 1.00 0.00 O ATOM 818 CB THR A 64 114.567 -5.324 -1.058 1.00 0.00 C ATOM 819 OG1 THR A 64 113.965 -4.345 -1.887 1.00 0.00 O ATOM 820 CG2 THR A 64 113.491 -6.308 -0.654 1.00 0.00 C ATOM 0 H THR A 64 116.200 -3.488 -1.321 1.00 0.00 H new ATOM 0 HA THR A 64 114.515 -4.159 0.740 1.00 0.00 H new ATOM 0 HB THR A 64 115.350 -5.865 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 64 113.525 -4.784 -2.645 1.00 0.00 H new ATOM 0 HG21 THR A 64 113.036 -6.737 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 64 113.932 -7.104 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 64 112.728 -5.793 -0.070 1.00 0.00 H new ATOM 828 N GLY A 65 117.238 -5.960 0.713 1.00 0.00 N ATOM 829 CA GLY A 65 117.990 -6.937 1.473 1.00 0.00 C ATOM 830 C GLY A 65 118.328 -6.442 2.867 1.00 0.00 C ATOM 831 O GLY A 65 118.562 -7.241 3.774 1.00 0.00 O ATOM 0 H GLY A 65 117.766 -5.487 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 65 117.414 -7.859 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 65 118.911 -7.178 0.942 1.00 0.00 H new ATOM 835 N ILE A 66 118.356 -5.122 3.040 1.00 0.00 N ATOM 836 CA ILE A 66 118.668 -4.528 4.333 1.00 0.00 C ATOM 837 C ILE A 66 117.436 -3.878 4.957 1.00 0.00 C ATOM 838 O ILE A 66 117.431 -3.562 6.146 1.00 0.00 O ATOM 839 CB ILE A 66 119.777 -3.470 4.212 1.00 0.00 C ATOM 840 CG1 ILE A 66 120.889 -3.958 3.282 1.00 0.00 C ATOM 841 CG2 ILE A 66 120.340 -3.130 5.585 1.00 0.00 C ATOM 842 CD1 ILE A 66 121.926 -2.900 2.971 1.00 0.00 C ATOM 0 H ILE A 66 118.166 -4.446 2.300 1.00 0.00 H new ATOM 0 HA ILE A 66 119.013 -5.340 4.974 1.00 0.00 H new ATOM 0 HB ILE A 66 119.344 -2.566 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 66 121.383 -4.816 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 66 120.445 -4.305 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 121.124 -2.380 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 66 119.544 -2.738 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 66 120.756 -4.029 6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 66 122.683 -3.317 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 121.445 -2.051 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.398 -2.570 3.897 1.00 0.00 H new ATOM 854 N PHE A 67 116.391 -3.676 4.151 1.00 0.00 N ATOM 855 CA PHE A 67 115.153 -3.062 4.630 1.00 0.00 C ATOM 856 C PHE A 67 114.759 -3.616 5.997 1.00 0.00 C ATOM 857 O PHE A 67 114.165 -2.915 6.816 1.00 0.00 O ATOM 858 CB PHE A 67 114.023 -3.294 3.624 1.00 0.00 C ATOM 859 CG PHE A 67 113.316 -2.032 3.215 1.00 0.00 C ATOM 860 CD1 PHE A 67 112.269 -1.532 3.972 1.00 0.00 C ATOM 861 CD2 PHE A 67 113.701 -1.346 2.073 1.00 0.00 C ATOM 862 CE1 PHE A 67 111.617 -0.372 3.598 1.00 0.00 C ATOM 863 CE2 PHE A 67 113.052 -0.186 1.695 1.00 0.00 C ATOM 864 CZ PHE A 67 112.010 0.301 2.458 1.00 0.00 C ATOM 0 H PHE A 67 116.379 -3.929 3.163 1.00 0.00 H new ATOM 0 HA PHE A 67 115.325 -1.991 4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 67 114.431 -3.777 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 67 113.298 -3.983 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 67 111.959 -2.055 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 67 114.516 -1.722 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 67 110.802 0.007 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 67 113.360 0.339 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 67 111.502 1.208 2.164 1.00 0.00 H new ATOM 874 N THR A 68 115.104 -4.877 6.236 1.00 0.00 N ATOM 875 CA THR A 68 114.798 -5.526 7.504 1.00 0.00 C ATOM 876 C THR A 68 116.063 -5.698 8.341 1.00 0.00 C ATOM 877 O THR A 68 115.997 -5.802 9.566 1.00 0.00 O ATOM 878 CB THR A 68 114.140 -6.885 7.262 1.00 0.00 C ATOM 879 OG1 THR A 68 113.028 -6.757 6.395 1.00 0.00 O ATOM 880 CG2 THR A 68 113.657 -7.551 8.532 1.00 0.00 C ATOM 0 H THR A 68 115.596 -5.469 5.567 1.00 0.00 H new ATOM 0 HA THR A 68 114.103 -4.891 8.053 1.00 0.00 H new ATOM 0 HB THR A 68 114.918 -7.507 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.622 -7.637 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 68 113.201 -8.511 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 68 114.501 -7.710 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 68 112.921 -6.913 9.020 1.00 0.00 H new ATOM 888 N ASP A 69 117.214 -5.722 7.674 1.00 0.00 N ATOM 889 CA ASP A 69 118.490 -5.875 8.362 1.00 0.00 C ATOM 890 C ASP A 69 118.860 -4.591 9.094 1.00 0.00 C ATOM 891 O ASP A 69 119.413 -4.628 10.193 1.00 0.00 O ATOM 892 CB ASP A 69 119.590 -6.245 7.367 1.00 0.00 C ATOM 893 CG ASP A 69 120.599 -7.213 7.955 1.00 0.00 C ATOM 894 OD1 ASP A 69 121.390 -6.791 8.824 1.00 0.00 O ATOM 895 OD2 ASP A 69 120.597 -8.394 7.546 1.00 0.00 O ATOM 0 H ASP A 69 117.288 -5.638 6.660 1.00 0.00 H new ATOM 0 HA ASP A 69 118.391 -6.678 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 69 119.139 -6.689 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 69 120.104 -5.340 7.045 1.00 0.00 H new ATOM 900 N GLN A 70 118.544 -3.456 8.480 1.00 0.00 N ATOM 901 CA GLN A 70 118.838 -2.159 9.076 1.00 0.00 C ATOM 902 C GLN A 70 117.974 -1.925 10.311 1.00 0.00 C ATOM 903 O GLN A 70 118.396 -1.265 11.261 1.00 0.00 O ATOM 904 CB GLN A 70 118.605 -1.040 8.057 1.00 0.00 C ATOM 905 CG GLN A 70 119.577 0.120 8.195 1.00 0.00 C ATOM 906 CD GLN A 70 119.727 0.912 6.912 1.00 0.00 C ATOM 907 OE1 GLN A 70 119.159 0.555 5.880 1.00 0.00 O ATOM 908 NE2 GLN A 70 120.495 1.993 6.970 1.00 0.00 N ATOM 0 H GLN A 70 118.085 -3.408 7.571 1.00 0.00 H new ATOM 0 HA GLN A 70 119.886 -2.152 9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 70 118.685 -1.453 7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 70 117.587 -0.666 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 70 119.234 0.784 8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 70 120.552 -0.262 8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 70 120.947 2.251 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.634 2.565 6.137 1.00 0.00 H new ATOM 917 N VAL A 71 116.763 -2.473 10.291 1.00 0.00 N ATOM 918 CA VAL A 71 115.839 -2.330 11.406 1.00 0.00 C ATOM 919 C VAL A 71 116.042 -3.447 12.426 1.00 0.00 C ATOM 920 O VAL A 71 115.937 -3.227 13.632 1.00 0.00 O ATOM 921 CB VAL A 71 114.380 -2.343 10.917 1.00 0.00 C ATOM 922 CG1 VAL A 71 113.409 -2.262 12.087 1.00 0.00 C ATOM 923 CG2 VAL A 71 114.138 -1.203 9.937 1.00 0.00 C ATOM 0 H VAL A 71 116.400 -3.021 9.511 1.00 0.00 H new ATOM 0 HA VAL A 71 116.045 -1.371 11.881 1.00 0.00 H new ATOM 0 HB VAL A 71 114.204 -3.287 10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 71 112.386 -2.273 11.712 1.00 0.00 H new ATOM 0 HG12 VAL A 71 113.563 -3.116 12.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 113.583 -1.339 12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 113.101 -1.226 9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 71 114.339 -0.251 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 71 114.801 -1.314 9.079 1.00 0.00 H new ATOM 933 N LEU A 72 116.333 -4.646 11.932 1.00 0.00 N ATOM 934 CA LEU A 72 116.552 -5.798 12.798 1.00 0.00 C ATOM 935 C LEU A 72 117.716 -5.548 13.752 1.00 0.00 C ATOM 936 O LEU A 72 117.747 -6.080 14.862 1.00 0.00 O ATOM 937 CB LEU A 72 116.825 -7.048 11.960 1.00 0.00 C ATOM 938 CG LEU A 72 117.087 -8.323 12.765 1.00 0.00 C ATOM 939 CD1 LEU A 72 115.779 -9.031 13.083 1.00 0.00 C ATOM 940 CD2 LEU A 72 118.025 -9.248 12.004 1.00 0.00 C ATOM 0 H LEU A 72 116.423 -4.845 10.936 1.00 0.00 H new ATOM 0 HA LEU A 72 115.649 -5.954 13.388 1.00 0.00 H new ATOM 0 HB2 LEU A 72 115.972 -7.220 11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 72 117.687 -6.857 11.320 1.00 0.00 H new ATOM 0 HG LEU A 72 117.564 -8.046 13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 115.985 -9.935 13.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 115.140 -8.369 13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 72 115.274 -9.297 12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.201 -10.150 12.590 1.00 0.00 H new ATOM 0 HD22 LEU A 72 117.574 -9.518 11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.973 -8.740 11.827 1.00 0.00 H new ATOM 952 N SER A 73 118.669 -4.731 13.313 1.00 0.00 N ATOM 953 CA SER A 73 119.834 -4.408 14.129 1.00 0.00 C ATOM 954 C SER A 73 119.488 -3.363 15.185 1.00 0.00 C ATOM 955 O SER A 73 120.153 -3.265 16.216 1.00 0.00 O ATOM 956 CB SER A 73 120.976 -3.899 13.248 1.00 0.00 C ATOM 957 OG SER A 73 121.422 -4.909 12.358 1.00 0.00 O ATOM 0 H SER A 73 118.657 -4.281 12.398 1.00 0.00 H new ATOM 0 HA SER A 73 120.153 -5.319 14.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 120.642 -3.031 12.680 1.00 0.00 H new ATOM 0 HB3 SER A 73 121.805 -3.570 13.875 1.00 0.00 H new ATOM 0 HG SER A 73 120.836 -4.936 11.573 1.00 0.00 H new ATOM 963 N VAL A 74 118.441 -2.585 14.923 1.00 0.00 N ATOM 964 CA VAL A 74 118.006 -1.550 15.853 1.00 0.00 C ATOM 965 C VAL A 74 117.670 -2.152 17.211 1.00 0.00 C ATOM 966 O VAL A 74 117.839 -1.507 18.246 1.00 0.00 O ATOM 967 CB VAL A 74 116.783 -0.786 15.309 1.00 0.00 C ATOM 968 CG1 VAL A 74 116.292 0.245 16.317 1.00 0.00 C ATOM 969 CG2 VAL A 74 117.123 -0.124 13.984 1.00 0.00 C ATOM 0 H VAL A 74 117.879 -2.653 14.074 1.00 0.00 H new ATOM 0 HA VAL A 74 118.831 -0.847 15.967 1.00 0.00 H new ATOM 0 HB VAL A 74 115.977 -1.501 15.143 1.00 0.00 H new ATOM 0 HG11 VAL A 74 115.428 0.770 15.909 1.00 0.00 H new ATOM 0 HG12 VAL A 74 116.008 -0.257 17.242 1.00 0.00 H new ATOM 0 HG13 VAL A 74 117.088 0.961 16.523 1.00 0.00 H new ATOM 0 HG21 VAL A 74 116.251 0.412 13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 74 117.945 0.577 14.128 1.00 0.00 H new ATOM 0 HG23 VAL A 74 117.417 -0.885 13.262 1.00 0.00 H new ATOM 979 N LEU A 75 117.207 -3.398 17.203 1.00 0.00 N ATOM 980 CA LEU A 75 116.863 -4.090 18.438 1.00 0.00 C ATOM 981 C LEU A 75 118.053 -4.100 19.392 1.00 0.00 C ATOM 982 O LEU A 75 117.890 -4.215 20.607 1.00 0.00 O ATOM 983 CB LEU A 75 116.419 -5.524 18.141 1.00 0.00 C ATOM 984 CG LEU A 75 115.106 -5.648 17.365 1.00 0.00 C ATOM 985 CD1 LEU A 75 114.962 -7.044 16.779 1.00 0.00 C ATOM 986 CD2 LEU A 75 113.924 -5.320 18.264 1.00 0.00 C ATOM 0 H LEU A 75 117.062 -3.948 16.356 1.00 0.00 H new ATOM 0 HA LEU A 75 116.038 -3.558 18.911 1.00 0.00 H new ATOM 0 HB2 LEU A 75 117.206 -6.022 17.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 116.317 -6.060 19.085 1.00 0.00 H new ATOM 0 HG LEU A 75 115.122 -4.932 16.543 1.00 0.00 H new ATOM 0 HD11 LEU A 75 114.022 -7.113 16.231 1.00 0.00 H new ATOM 0 HD12 LEU A 75 115.793 -7.242 16.102 1.00 0.00 H new ATOM 0 HD13 LEU A 75 114.967 -7.779 17.584 1.00 0.00 H new ATOM 0 HD21 LEU A 75 112.998 -5.413 17.696 1.00 0.00 H new ATOM 0 HD22 LEU A 75 113.904 -6.012 19.106 1.00 0.00 H new ATOM 0 HD23 LEU A 75 114.021 -4.300 18.635 1.00 0.00 H new ATOM 998 N LYS A 76 119.254 -3.969 18.830 1.00 0.00 N ATOM 999 CA LYS A 76 120.475 -3.952 19.624 1.00 0.00 C ATOM 1000 C LYS A 76 121.638 -3.408 18.807 1.00 0.00 C ATOM 1001 O LYS A 76 122.075 -4.024 17.835 1.00 0.00 O ATOM 1002 CB LYS A 76 120.799 -5.357 20.140 1.00 0.00 C ATOM 1003 CG LYS A 76 120.410 -5.575 21.593 1.00 0.00 C ATOM 1004 CD LYS A 76 121.596 -5.380 22.523 1.00 0.00 C ATOM 1005 CE LYS A 76 121.581 -6.386 23.662 1.00 0.00 C ATOM 1006 NZ LYS A 76 122.075 -5.791 24.935 1.00 0.00 N ATOM 0 H LYS A 76 119.404 -3.873 17.826 1.00 0.00 H new ATOM 0 HA LYS A 76 120.317 -3.295 20.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 120.283 -6.091 19.520 1.00 0.00 H new ATOM 0 HB3 LYS A 76 121.868 -5.539 20.027 1.00 0.00 H new ATOM 0 HG2 LYS A 76 119.615 -4.881 21.866 1.00 0.00 H new ATOM 0 HG3 LYS A 76 120.011 -6.582 21.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 122.523 -5.481 21.959 1.00 0.00 H new ATOM 0 HD3 LYS A 76 121.579 -4.369 22.929 1.00 0.00 H new ATOM 0 HE2 LYS A 76 120.566 -6.758 23.805 1.00 0.00 H new ATOM 0 HE3 LYS A 76 122.200 -7.243 23.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 122.049 -6.509 25.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 123.052 -5.459 24.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 121.469 -4.989 25.201 1.00 0.00 H new ATOM 1020 N GLY A 77 122.122 -2.239 19.203 1.00 0.00 N ATOM 1021 CA GLY A 77 123.218 -1.607 18.497 1.00 0.00 C ATOM 1022 C GLY A 77 122.774 -0.353 17.772 1.00 0.00 C ATOM 1023 O GLY A 77 123.600 0.397 17.252 1.00 0.00 O ATOM 0 H GLY A 77 121.773 -1.715 20.005 1.00 0.00 H new ATOM 0 HA2 GLY A 77 124.009 -1.357 19.204 1.00 0.00 H new ATOM 0 HA3 GLY A 77 123.642 -2.310 17.780 1.00 0.00 H new ATOM 1027 N GLU A 78 121.460 -0.122 17.745 1.00 0.00 N ATOM 1028 CA GLU A 78 120.891 1.049 17.089 1.00 0.00 C ATOM 1029 C GLU A 78 121.538 1.293 15.728 1.00 0.00 C ATOM 1030 O GLU A 78 121.655 2.434 15.279 1.00 0.00 O ATOM 1031 CB GLU A 78 121.061 2.274 17.981 1.00 0.00 C ATOM 1032 CG GLU A 78 120.371 3.519 17.449 1.00 0.00 C ATOM 1033 CD GLU A 78 119.247 3.995 18.349 1.00 0.00 C ATOM 1034 OE1 GLU A 78 118.351 3.182 18.659 1.00 0.00 O ATOM 1035 OE2 GLU A 78 119.261 5.180 18.741 1.00 0.00 O ATOM 0 H GLU A 78 120.769 -0.737 18.174 1.00 0.00 H new ATOM 0 HA GLU A 78 119.829 0.866 16.924 1.00 0.00 H new ATOM 0 HB2 GLU A 78 120.668 2.048 18.972 1.00 0.00 H new ATOM 0 HB3 GLU A 78 122.125 2.481 18.099 1.00 0.00 H new ATOM 0 HG2 GLU A 78 121.105 4.317 17.338 1.00 0.00 H new ATOM 0 HG3 GLU A 78 119.973 3.312 16.456 1.00 0.00 H new ATOM 1042 N GLU A 79 121.954 0.212 15.079 1.00 0.00 N ATOM 1043 CA GLU A 79 122.590 0.303 13.770 1.00 0.00 C ATOM 1044 C GLU A 79 121.636 0.906 12.743 1.00 0.00 C ATOM 1045 O GLU A 79 120.427 0.993 13.040 1.00 0.00 O ATOM 1046 CB GLU A 79 123.051 -1.079 13.306 1.00 0.00 C ATOM 1047 CG GLU A 79 123.788 -1.060 11.976 1.00 0.00 C ATOM 1048 CD GLU A 79 124.758 -2.216 11.832 1.00 0.00 C ATOM 1049 OE1 GLU A 79 124.319 -3.313 11.428 1.00 0.00 O ATOM 1050 OE2 GLU A 79 125.958 -2.024 12.122 1.00 0.00 O ATOM 1051 OXT GLU A 79 122.107 1.286 11.651 1.00 0.00 O ATOM 0 H GLU A 79 121.862 -0.738 15.438 1.00 0.00 H new ATOM 0 HA GLU A 79 123.458 0.956 13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 79 123.702 -1.510 14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 79 122.183 -1.733 13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 79 123.063 -1.095 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 79 124.331 -0.120 11.879 1.00 0.00 H new TER 1058 GLU A 79