USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 ASN : amide:sc= 2.32 K(o=4.3,f=-5.4!) USER MOD Set 1.2: A 135 THR OG1 : rot -69:sc= 2.02 USER MOD Set 2.1: A 87 TYR OH : rot -179:sc= 1.4 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.717 K(o=2.1,f=1.2) USER MOD Set 3.1: A 15 SER OG : rot -117:sc= 0.642 USER MOD Set 3.2: A 57 SER OG : rot 180:sc= 0.824 USER MOD Single : A 10 THR OG1 : rot 134:sc= 0.482 USER MOD Single : A 11 MET CE :methyl 179:sc= 0 (180deg=-0.00297) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 27 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 29 GLN : amide:sc= 0.389 K(o=0.39,f=-0.33) USER MOD Single : A 31 HIS : +bothHN:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.24) USER MOD Single : A 34 THR OG1 : rot -4:sc= 0.333 USER MOD Single : A 42 SER OG : rot 98:sc= 1.28 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : A 51 TYR OH : rot 175:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 160:sc= 0 USER MOD Single : A 58 THR OG1 : rot -20:sc= 0.331 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 154:sc= 1.23 USER MOD Single : A 73 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.5 K(o=1.5,f=-5.2!) USER MOD Single : A 84 ASN : amide:sc= 0.0982 K(o=0.098,f=-2.1) USER MOD Single : A 95 SER OG : rot -35:sc= 0.0478 USER MOD Single : A 96 SER OG : rot -95:sc= 1.2 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00684 X(o=-0.0068,f=-0.28) USER MOD Single : A 101 CYS SG : rot 64:sc= 0.486 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 0.932 (180deg=0.788) USER MOD Single : A 106 GLN : amide:sc= 1.14 K(o=1.1,f=-2.3!) USER MOD Single : A 114 GLN : amide:sc= 0.879 K(o=0.88,f=-0.81) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.885 K(o=0.89,f=0) USER MOD Single : A 122 MET CE :methyl -150:sc= -0.389 (180deg=-1.2) USER MOD Single : A 128 SER OG : rot 58:sc= 1.26 USER MOD Single : A 137 SER OG : rot -80:sc= 0.92 USER MOD Single : A 138 ASN : amide:sc= 0.902 K(o=0.9,f=-0.73) USER MOD Single : A 143 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.0048) USER MOD Single : A 146 THR OG1 : rot -77:sc= 1.21 USER MOD Single : A 149 SER OG : rot 44:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.291 0.072 -0.987 1.00 0.00 N ATOM 21 CA ALA A 2 5.910 1.403 -1.014 1.00 0.00 C ATOM 22 C ALA A 2 5.546 2.150 -2.315 1.00 0.00 C ATOM 23 O ALA A 2 4.917 1.579 -3.208 1.00 0.00 O ATOM 24 CB ALA A 2 7.430 1.216 -0.876 1.00 0.00 C ATOM 0 HA ALA A 2 5.539 2.013 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.919 2.190 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.651 0.715 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.799 0.610 -1.704 1.00 0.00 H new ATOM 30 N GLU A 3 5.971 3.407 -2.451 1.00 0.00 N ATOM 31 CA GLU A 3 5.768 4.246 -3.645 1.00 0.00 C ATOM 32 C GLU A 3 7.086 4.969 -3.986 1.00 0.00 C ATOM 33 O GLU A 3 7.636 5.653 -3.120 1.00 0.00 O ATOM 34 CB GLU A 3 4.665 5.297 -3.395 1.00 0.00 C ATOM 35 CG GLU A 3 3.316 4.755 -2.897 1.00 0.00 C ATOM 36 CD GLU A 3 2.274 5.886 -2.788 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.957 6.540 -3.812 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.772 6.154 -1.670 1.00 0.00 O1- ATOM 0 H GLU A 3 6.483 3.890 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 3 5.461 3.607 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.036 6.017 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.494 5.843 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.954 3.986 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.447 4.281 -1.924 1.00 0.00 H new ATOM 45 N ILE A 4 7.600 4.812 -5.219 1.00 0.00 N ATOM 46 CA ILE A 4 8.951 5.275 -5.594 1.00 0.00 C ATOM 47 C ILE A 4 8.995 5.963 -6.963 1.00 0.00 C ATOM 48 O ILE A 4 8.643 5.372 -7.987 1.00 0.00 O ATOM 49 CB ILE A 4 9.997 4.125 -5.577 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.747 3.137 -4.408 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.407 4.721 -5.511 1.00 0.00 C ATOM 52 CD1 ILE A 4 10.882 2.150 -4.187 1.00 0.00 C ATOM 0 H ILE A 4 7.094 4.362 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 4 9.210 6.009 -4.831 1.00 0.00 H new ATOM 0 HB ILE A 4 9.896 3.549 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.588 3.705 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.829 2.583 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.142 3.916 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.576 5.354 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.508 5.318 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.635 1.492 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.027 1.555 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.799 2.694 -3.960 1.00 0.00 H new ATOM 64 N GLY A 5 9.510 7.193 -6.991 1.00 0.00 N ATOM 65 CA GLY A 5 9.838 7.890 -8.235 1.00 0.00 C ATOM 66 C GLY A 5 11.249 7.488 -8.682 1.00 0.00 C ATOM 67 O GLY A 5 12.170 7.457 -7.863 1.00 0.00 O ATOM 0 H GLY A 5 9.712 7.735 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.113 7.638 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.784 8.969 -8.087 1.00 0.00 H new ATOM 71 N ILE A 6 11.413 7.148 -9.964 1.00 0.00 N ATOM 72 CA ILE A 6 12.637 6.560 -10.531 1.00 0.00 C ATOM 73 C ILE A 6 13.162 7.495 -11.620 1.00 0.00 C ATOM 74 O ILE A 6 12.770 7.429 -12.787 1.00 0.00 O ATOM 75 CB ILE A 6 12.407 5.114 -11.034 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.799 4.230 -9.925 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.732 4.513 -11.546 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.544 2.784 -10.348 1.00 0.00 C ATOM 0 H ILE A 6 10.678 7.277 -10.659 1.00 0.00 H new ATOM 0 HA ILE A 6 13.396 6.468 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 6 11.696 5.147 -11.859 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.469 4.233 -9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.858 4.673 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.558 3.496 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.114 5.120 -12.367 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.461 4.498 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.116 2.230 -9.512 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.849 2.768 -11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.485 2.321 -10.647 1.00 0.00 H new ATOM 90 N PHE A 7 14.028 8.417 -11.220 1.00 0.00 N ATOM 91 CA PHE A 7 14.477 9.529 -12.056 1.00 0.00 C ATOM 92 C PHE A 7 15.744 9.154 -12.820 1.00 0.00 C ATOM 93 O PHE A 7 16.656 8.535 -12.262 1.00 0.00 O ATOM 94 CB PHE A 7 14.687 10.768 -11.180 1.00 0.00 C ATOM 95 CG PHE A 7 13.482 11.053 -10.309 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.365 11.729 -10.831 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.433 10.527 -9.005 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.205 11.875 -10.051 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.282 10.692 -8.222 1.00 0.00 C ATOM 100 CZ PHE A 7 11.162 11.356 -8.746 1.00 0.00 C ATOM 0 H PHE A 7 14.447 8.415 -10.290 1.00 0.00 H new ATOM 0 HA PHE A 7 13.714 9.757 -12.800 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.564 10.623 -10.550 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.889 11.631 -11.814 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.398 12.136 -11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.284 9.995 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.345 12.387 -10.456 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.257 10.307 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.270 11.468 -8.148 1.00 0.00 H new ATOM 110 N VAL A 8 15.806 9.543 -14.094 1.00 0.00 N ATOM 111 CA VAL A 8 16.848 9.078 -15.017 1.00 0.00 C ATOM 112 C VAL A 8 17.636 10.241 -15.603 1.00 0.00 C ATOM 113 O VAL A 8 17.087 11.300 -15.911 1.00 0.00 O ATOM 114 CB VAL A 8 16.245 8.214 -16.140 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.308 7.549 -17.025 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.366 7.096 -15.565 1.00 0.00 C ATOM 0 H VAL A 8 15.138 10.188 -14.517 1.00 0.00 H new ATOM 0 HA VAL A 8 17.540 8.462 -14.442 1.00 0.00 H new ATOM 0 HB VAL A 8 15.658 8.904 -16.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.819 6.954 -17.797 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.923 8.317 -17.494 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.938 6.903 -16.414 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.953 6.502 -16.380 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.967 6.457 -14.918 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.552 7.534 -14.987 1.00 0.00 H new ATOM 126 N GLY A 9 18.929 10.000 -15.811 1.00 0.00 N ATOM 127 CA GLY A 9 19.845 10.916 -16.483 1.00 0.00 C ATOM 128 C GLY A 9 20.649 10.169 -17.549 1.00 0.00 C ATOM 129 O GLY A 9 21.596 9.458 -17.223 1.00 0.00 O ATOM 0 H GLY A 9 19.380 9.137 -15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.285 11.730 -16.943 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.521 11.365 -15.755 1.00 0.00 H new ATOM 133 N THR A 10 20.269 10.313 -18.818 1.00 0.00 N ATOM 134 CA THR A 10 20.954 9.705 -19.977 1.00 0.00 C ATOM 135 C THR A 10 20.860 10.611 -21.208 1.00 0.00 C ATOM 136 O THR A 10 19.997 11.486 -21.263 1.00 0.00 O ATOM 137 CB THR A 10 20.346 8.325 -20.300 1.00 0.00 C ATOM 138 OG1 THR A 10 21.116 7.684 -21.296 1.00 0.00 O ATOM 139 CG2 THR A 10 18.923 8.361 -20.844 1.00 0.00 C ATOM 0 H THR A 10 19.456 10.869 -19.084 1.00 0.00 H new ATOM 0 HA THR A 10 22.005 9.581 -19.716 1.00 0.00 H new ATOM 0 HB THR A 10 20.340 7.803 -19.343 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.279 6.754 -21.035 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.583 7.344 -21.041 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.265 8.828 -20.111 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.902 8.936 -21.770 1.00 0.00 H new ATOM 147 N MET A 11 21.694 10.356 -22.220 1.00 0.00 N ATOM 148 CA MET A 11 21.593 10.986 -23.548 1.00 0.00 C ATOM 149 C MET A 11 21.178 10.003 -24.661 1.00 0.00 C ATOM 150 O MET A 11 20.829 10.452 -25.755 1.00 0.00 O ATOM 151 CB MET A 11 22.921 11.676 -23.903 1.00 0.00 C ATOM 152 CG MET A 11 23.423 12.659 -22.833 1.00 0.00 C ATOM 153 SD MET A 11 22.247 13.914 -22.234 1.00 0.00 S ATOM 154 CE MET A 11 21.910 14.827 -23.760 1.00 0.00 C ATOM 0 H MET A 11 22.470 9.698 -22.143 1.00 0.00 H new ATOM 0 HA MET A 11 20.796 11.727 -23.486 1.00 0.00 H new ATOM 0 HB2 MET A 11 23.682 10.913 -24.066 1.00 0.00 H new ATOM 0 HB3 MET A 11 22.800 12.211 -24.845 1.00 0.00 H new ATOM 0 HG2 MET A 11 23.763 12.079 -21.975 1.00 0.00 H new ATOM 0 HG3 MET A 11 24.294 13.177 -23.233 1.00 0.00 H new ATOM 0 HE1 MET A 11 21.190 15.620 -23.558 1.00 0.00 H new ATOM 0 HE2 MET A 11 22.836 15.264 -24.134 1.00 0.00 H new ATOM 0 HE3 MET A 11 21.501 14.148 -24.508 1.00 0.00 H new ATOM 164 N TYR A 12 21.179 8.681 -24.396 1.00 0.00 N ATOM 165 CA TYR A 12 20.931 7.637 -25.416 1.00 0.00 C ATOM 166 C TYR A 12 20.197 6.368 -24.922 1.00 0.00 C ATOM 167 O TYR A 12 19.635 5.652 -25.756 1.00 0.00 O ATOM 168 CB TYR A 12 22.258 7.217 -26.079 1.00 0.00 C ATOM 169 CG TYR A 12 23.069 8.337 -26.711 1.00 0.00 C ATOM 170 CD1 TYR A 12 22.681 8.865 -27.959 1.00 0.00 C ATOM 171 CD2 TYR A 12 24.209 8.847 -26.056 1.00 0.00 C ATOM 172 CE1 TYR A 12 23.420 9.912 -28.545 1.00 0.00 C ATOM 173 CE2 TYR A 12 24.954 9.890 -26.642 1.00 0.00 C ATOM 174 CZ TYR A 12 24.560 10.427 -27.889 1.00 0.00 C ATOM 175 OH TYR A 12 25.271 11.435 -28.464 1.00 0.00 O ATOM 0 H TYR A 12 21.353 8.304 -23.464 1.00 0.00 H new ATOM 0 HA TYR A 12 20.252 8.112 -26.125 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.877 6.725 -25.328 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.039 6.475 -26.847 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.815 8.466 -28.467 1.00 0.00 H new ATOM 0 HD2 TYR A 12 24.512 8.438 -25.104 1.00 0.00 H new ATOM 0 HE1 TYR A 12 23.114 10.321 -29.497 1.00 0.00 H new ATOM 0 HE2 TYR A 12 25.826 10.279 -26.138 1.00 0.00 H new ATOM 0 HH TYR A 12 26.024 11.676 -27.885 1.00 0.00 H new ATOM 185 N GLY A 13 20.172 6.072 -23.610 1.00 0.00 N ATOM 186 CA GLY A 13 19.328 5.000 -23.042 1.00 0.00 C ATOM 187 C GLY A 13 19.993 4.010 -22.074 1.00 0.00 C ATOM 188 O GLY A 13 19.276 3.237 -21.441 1.00 0.00 O ATOM 0 H GLY A 13 20.733 6.565 -22.915 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.493 5.470 -22.522 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.907 4.429 -23.870 1.00 0.00 H new ATOM 192 N ASN A 14 21.325 4.006 -21.924 1.00 0.00 N ATOM 193 CA ASN A 14 22.039 2.942 -21.184 1.00 0.00 C ATOM 194 C ASN A 14 21.584 2.808 -19.719 1.00 0.00 C ATOM 195 O ASN A 14 21.349 1.701 -19.238 1.00 0.00 O ATOM 196 CB ASN A 14 23.567 3.160 -21.259 1.00 0.00 C ATOM 197 CG ASN A 14 24.160 2.983 -22.653 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.552 2.445 -23.569 1.00 0.00 O ATOM 199 ND2 ASN A 14 25.379 3.427 -22.862 1.00 0.00 N ATOM 0 H ASN A 14 21.936 4.728 -22.305 1.00 0.00 H new ATOM 0 HA ASN A 14 21.783 2.002 -21.673 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.796 4.165 -20.905 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.055 2.463 -20.578 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.810 3.322 -23.781 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.895 3.877 -22.106 1.00 0.00 H new ATOM 206 N SER A 15 21.427 3.935 -19.016 1.00 0.00 N ATOM 207 CA SER A 15 20.924 3.969 -17.632 1.00 0.00 C ATOM 208 C SER A 15 19.387 3.917 -17.562 1.00 0.00 C ATOM 209 O SER A 15 18.830 3.318 -16.645 1.00 0.00 O ATOM 210 CB SER A 15 21.512 5.193 -16.925 1.00 0.00 C ATOM 211 OG SER A 15 21.168 6.360 -17.634 1.00 0.00 O ATOM 0 H SER A 15 21.646 4.858 -19.391 1.00 0.00 H new ATOM 0 HA SER A 15 21.254 3.071 -17.109 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.135 5.252 -15.904 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.596 5.102 -16.860 1.00 0.00 H new ATOM 0 HG SER A 15 21.982 6.793 -17.966 1.00 0.00 H new ATOM 217 N LEU A 16 18.678 4.423 -18.579 1.00 0.00 N ATOM 218 CA LEU A 16 17.217 4.282 -18.712 1.00 0.00 C ATOM 219 C LEU A 16 16.760 2.817 -18.763 1.00 0.00 C ATOM 220 O LEU A 16 15.783 2.461 -18.108 1.00 0.00 O ATOM 221 CB LEU A 16 16.755 5.058 -19.960 1.00 0.00 C ATOM 222 CG LEU A 16 15.247 4.985 -20.270 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.389 5.572 -19.149 1.00 0.00 C ATOM 224 CD2 LEU A 16 14.975 5.777 -21.548 1.00 0.00 C ATOM 0 H LEU A 16 19.105 4.948 -19.342 1.00 0.00 H new ATOM 0 HA LEU A 16 16.751 4.702 -17.821 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.032 6.105 -19.838 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.304 4.682 -20.823 1.00 0.00 H new ATOM 0 HG LEU A 16 14.982 3.933 -20.378 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.336 5.495 -19.419 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.568 5.020 -18.226 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.650 6.620 -19.002 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.911 5.736 -21.782 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.275 6.815 -21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.545 5.346 -22.371 1.00 0.00 H new ATOM 236 N LEU A 17 17.493 1.952 -19.469 1.00 0.00 N ATOM 237 CA LEU A 17 17.243 0.507 -19.499 1.00 0.00 C ATOM 238 C LEU A 17 17.215 -0.099 -18.082 1.00 0.00 C ATOM 239 O LEU A 17 16.351 -0.919 -17.764 1.00 0.00 O ATOM 240 CB LEU A 17 18.303 -0.134 -20.420 1.00 0.00 C ATOM 241 CG LEU A 17 18.204 -1.664 -20.597 1.00 0.00 C ATOM 242 CD1 LEU A 17 18.823 -2.067 -21.937 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.966 -2.441 -19.516 1.00 0.00 C ATOM 0 H LEU A 17 18.286 2.238 -20.043 1.00 0.00 H new ATOM 0 HA LEU A 17 16.253 0.298 -19.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.232 0.332 -21.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.291 0.104 -20.025 1.00 0.00 H new ATOM 0 HG LEU A 17 17.143 -1.907 -20.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.752 -3.148 -22.060 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.288 -1.573 -22.748 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.871 -1.767 -21.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.859 -3.511 -19.694 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.021 -2.171 -19.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.559 -2.194 -18.535 1.00 0.00 H new ATOM 255 N VAL A 18 18.129 0.337 -17.210 1.00 0.00 N ATOM 256 CA VAL A 18 18.168 -0.088 -15.804 1.00 0.00 C ATOM 257 C VAL A 18 16.991 0.480 -14.999 1.00 0.00 C ATOM 258 O VAL A 18 16.450 -0.221 -14.147 1.00 0.00 O ATOM 259 CB VAL A 18 19.510 0.278 -15.153 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.515 -0.085 -13.667 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.659 -0.466 -15.844 1.00 0.00 C ATOM 0 H VAL A 18 18.866 0.997 -17.458 1.00 0.00 H new ATOM 0 HA VAL A 18 18.071 -1.174 -15.794 1.00 0.00 H new ATOM 0 HB VAL A 18 19.646 1.354 -15.262 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.476 0.184 -13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.720 0.458 -13.157 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.353 -1.157 -13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.603 -0.196 -15.371 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.502 -1.541 -15.754 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.689 -0.190 -16.898 1.00 0.00 H new ATOM 271 N ALA A 19 16.539 1.707 -15.275 1.00 0.00 N ATOM 272 CA ALA A 19 15.328 2.248 -14.657 1.00 0.00 C ATOM 273 C ALA A 19 14.062 1.457 -15.047 1.00 0.00 C ATOM 274 O ALA A 19 13.224 1.167 -14.191 1.00 0.00 O ATOM 275 CB ALA A 19 15.211 3.728 -15.019 1.00 0.00 C ATOM 0 H ALA A 19 16.997 2.346 -15.925 1.00 0.00 H new ATOM 0 HA ALA A 19 15.410 2.146 -13.575 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.312 4.144 -14.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.085 4.263 -14.649 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.152 3.834 -16.102 1.00 0.00 H new ATOM 281 N GLU A 20 13.935 1.056 -16.316 1.00 0.00 N ATOM 282 CA GLU A 20 12.856 0.176 -16.785 1.00 0.00 C ATOM 283 C GLU A 20 12.884 -1.206 -16.092 1.00 0.00 C ATOM 284 O GLU A 20 11.834 -1.713 -15.691 1.00 0.00 O ATOM 285 CB GLU A 20 12.921 0.019 -18.313 1.00 0.00 C ATOM 286 CG GLU A 20 12.574 1.315 -19.052 1.00 0.00 C ATOM 287 CD GLU A 20 12.530 1.073 -20.574 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.596 1.108 -21.237 1.00 0.00 O1- ATOM 289 OE2 GLU A 20 11.422 0.847 -21.122 1.00 0.00 O ATOM 0 H GLU A 20 14.582 1.334 -17.053 1.00 0.00 H new ATOM 0 HA GLU A 20 11.911 0.648 -16.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.923 -0.302 -18.600 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.233 -0.768 -18.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.609 1.689 -18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.314 2.082 -18.821 1.00 0.00 H new ATOM 296 N GLU A 21 14.073 -1.793 -15.892 1.00 0.00 N ATOM 297 CA GLU A 21 14.247 -2.990 -15.055 1.00 0.00 C ATOM 298 C GLU A 21 13.811 -2.732 -13.602 1.00 0.00 C ATOM 299 O GLU A 21 13.052 -3.521 -13.036 1.00 0.00 O ATOM 300 CB GLU A 21 15.717 -3.459 -15.071 1.00 0.00 C ATOM 301 CG GLU A 21 16.045 -4.403 -16.229 1.00 0.00 C ATOM 302 CD GLU A 21 15.528 -5.827 -15.947 1.00 0.00 C ATOM 303 OE1 GLU A 21 16.187 -6.567 -15.174 1.00 0.00 O1- ATOM 304 OE2 GLU A 21 14.459 -6.202 -16.488 1.00 0.00 O ATOM 0 H GLU A 21 14.941 -1.452 -16.305 1.00 0.00 H new ATOM 0 HA GLU A 21 13.612 -3.770 -15.475 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.368 -2.586 -15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.940 -3.961 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.597 -4.025 -17.148 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.123 -4.429 -16.387 1.00 0.00 H new ATOM 311 N ALA A 22 14.255 -1.625 -12.997 1.00 0.00 N ATOM 312 CA ALA A 22 13.936 -1.277 -11.615 1.00 0.00 C ATOM 313 C ALA A 22 12.423 -1.167 -11.369 1.00 0.00 C ATOM 314 O ALA A 22 11.919 -1.733 -10.402 1.00 0.00 O ATOM 315 CB ALA A 22 14.664 0.023 -11.240 1.00 0.00 C ATOM 0 H ALA A 22 14.852 -0.941 -13.461 1.00 0.00 H new ATOM 0 HA ALA A 22 14.283 -2.085 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.429 0.287 -10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.740 -0.120 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.340 0.825 -11.903 1.00 0.00 H new ATOM 321 N GLU A 23 11.685 -0.501 -12.262 1.00 0.00 N ATOM 322 CA GLU A 23 10.222 -0.386 -12.188 1.00 0.00 C ATOM 323 C GLU A 23 9.536 -1.761 -12.144 1.00 0.00 C ATOM 324 O GLU A 23 8.688 -1.998 -11.279 1.00 0.00 O ATOM 325 CB GLU A 23 9.737 0.455 -13.379 1.00 0.00 C ATOM 326 CG GLU A 23 8.251 0.831 -13.308 1.00 0.00 C ATOM 327 CD GLU A 23 7.813 1.622 -14.557 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.542 0.989 -15.609 1.00 0.00 O1- ATOM 329 OE2 GLU A 23 7.723 2.872 -14.493 1.00 0.00 O ATOM 0 H GLU A 23 12.089 -0.021 -13.066 1.00 0.00 H new ATOM 0 HA GLU A 23 9.949 0.111 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.331 1.367 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.918 -0.098 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.649 -0.073 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.067 1.427 -12.414 1.00 0.00 H new ATOM 336 N ALA A 24 9.940 -2.694 -13.011 1.00 0.00 N ATOM 337 CA ALA A 24 9.428 -4.064 -13.015 1.00 0.00 C ATOM 338 C ALA A 24 9.780 -4.824 -11.721 1.00 0.00 C ATOM 339 O ALA A 24 8.903 -5.416 -11.094 1.00 0.00 O ATOM 340 CB ALA A 24 9.965 -4.781 -14.260 1.00 0.00 C ATOM 0 H ALA A 24 10.637 -2.517 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 24 8.339 -4.036 -13.051 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.593 -5.805 -14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.630 -4.256 -15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.055 -4.792 -14.232 1.00 0.00 H new ATOM 346 N ILE A 25 11.036 -4.765 -11.268 1.00 0.00 N ATOM 347 CA ILE A 25 11.524 -5.416 -10.046 1.00 0.00 C ATOM 348 C ILE A 25 10.853 -4.876 -8.768 1.00 0.00 C ATOM 349 O ILE A 25 10.652 -5.626 -7.812 1.00 0.00 O ATOM 350 CB ILE A 25 13.061 -5.250 -10.003 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.744 -6.034 -11.149 1.00 0.00 C ATOM 352 CG2 ILE A 25 13.622 -5.724 -8.657 1.00 0.00 C ATOM 353 CD1 ILE A 25 15.171 -5.545 -11.415 1.00 0.00 C ATOM 0 H ILE A 25 11.766 -4.246 -11.757 1.00 0.00 H new ATOM 0 HA ILE A 25 11.259 -6.473 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 25 13.275 -4.189 -10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.766 -7.095 -10.898 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.152 -5.934 -12.059 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.705 -5.598 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.182 -5.135 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.378 -6.776 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.609 -6.125 -12.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.149 -4.491 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.772 -5.670 -10.515 1.00 0.00 H new ATOM 365 N LEU A 26 10.485 -3.593 -8.717 1.00 0.00 N ATOM 366 CA LEU A 26 9.800 -2.989 -7.569 1.00 0.00 C ATOM 367 C LEU A 26 8.308 -3.325 -7.610 1.00 0.00 C ATOM 368 O LEU A 26 7.728 -3.684 -6.587 1.00 0.00 O ATOM 369 CB LEU A 26 10.063 -1.471 -7.580 1.00 0.00 C ATOM 370 CG LEU A 26 11.525 -1.129 -7.231 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.849 0.301 -7.646 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.816 -1.298 -5.738 1.00 0.00 C ATOM 0 H LEU A 26 10.656 -2.937 -9.479 1.00 0.00 H new ATOM 0 HA LEU A 26 10.187 -3.394 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.823 -1.070 -8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.398 -0.984 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 26 12.155 -1.828 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.885 0.527 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.706 0.409 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.188 0.991 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.858 -1.046 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.167 -0.637 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.631 -2.332 -5.446 1.00 0.00 H new ATOM 384 N THR A 27 7.719 -3.334 -8.808 1.00 0.00 N ATOM 385 CA THR A 27 6.359 -3.841 -9.044 1.00 0.00 C ATOM 386 C THR A 27 6.224 -5.303 -8.586 1.00 0.00 C ATOM 387 O THR A 27 5.286 -5.639 -7.863 1.00 0.00 O ATOM 388 CB THR A 27 5.990 -3.688 -10.528 1.00 0.00 C ATOM 389 OG1 THR A 27 6.043 -2.332 -10.918 1.00 0.00 O ATOM 390 CG2 THR A 27 4.582 -4.174 -10.839 1.00 0.00 C ATOM 0 H THR A 27 8.175 -2.987 -9.652 1.00 0.00 H new ATOM 0 HA THR A 27 5.661 -3.249 -8.451 1.00 0.00 H new ATOM 0 HB THR A 27 6.715 -4.294 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.931 -2.130 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.378 -4.041 -11.901 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.497 -5.230 -10.582 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.862 -3.600 -10.256 1.00 0.00 H new ATOM 398 N ALA A 28 7.194 -6.162 -8.924 1.00 0.00 N ATOM 399 CA ALA A 28 7.246 -7.569 -8.502 1.00 0.00 C ATOM 400 C ALA A 28 7.372 -7.749 -6.972 1.00 0.00 C ATOM 401 O ALA A 28 6.784 -8.673 -6.408 1.00 0.00 O ATOM 402 CB ALA A 28 8.416 -8.242 -9.233 1.00 0.00 C ATOM 0 H ALA A 28 7.983 -5.893 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 28 6.300 -8.040 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.476 -9.289 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.257 -8.178 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.346 -7.737 -8.973 1.00 0.00 H new ATOM 408 N GLN A 29 8.095 -6.848 -6.292 1.00 0.00 N ATOM 409 CA GLN A 29 8.187 -6.800 -4.821 1.00 0.00 C ATOM 410 C GLN A 29 6.927 -6.233 -4.131 1.00 0.00 C ATOM 411 O GLN A 29 6.824 -6.289 -2.904 1.00 0.00 O ATOM 412 CB GLN A 29 9.437 -6.000 -4.417 1.00 0.00 C ATOM 413 CG GLN A 29 10.713 -6.818 -4.661 1.00 0.00 C ATOM 414 CD GLN A 29 11.971 -5.986 -4.442 1.00 0.00 C ATOM 415 OE1 GLN A 29 12.531 -5.918 -3.359 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.456 -5.324 -5.469 1.00 0.00 N ATOM 0 H GLN A 29 8.641 -6.120 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 29 8.266 -7.830 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.480 -5.072 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.373 -5.724 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.726 -7.679 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.707 -7.206 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.992 -5.378 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.297 -4.757 -5.359 1.00 0.00 H new ATOM 425 N GLY A 30 5.958 -5.716 -4.897 1.00 0.00 N ATOM 426 CA GLY A 30 4.676 -5.213 -4.392 1.00 0.00 C ATOM 427 C GLY A 30 4.628 -3.693 -4.191 1.00 0.00 C ATOM 428 O GLY A 30 3.841 -3.217 -3.371 1.00 0.00 O ATOM 0 H GLY A 30 6.047 -5.634 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.887 -5.501 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.457 -5.700 -3.442 1.00 0.00 H new ATOM 432 N HIS A 31 5.466 -2.929 -4.906 1.00 0.00 N ATOM 433 CA HIS A 31 5.592 -1.472 -4.758 1.00 0.00 C ATOM 434 C HIS A 31 5.144 -0.722 -6.018 1.00 0.00 C ATOM 435 O HIS A 31 5.327 -1.192 -7.142 1.00 0.00 O ATOM 436 CB HIS A 31 7.050 -1.109 -4.427 1.00 0.00 C ATOM 437 CG HIS A 31 7.644 -1.889 -3.288 1.00 0.00 C ATOM 438 ND1 HIS A 31 7.030 -2.119 -2.053 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.901 -2.417 -3.274 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.948 -2.761 -1.311 1.00 0.00 C ATOM 441 NE2 HIS A 31 9.075 -2.952 -2.017 1.00 0.00 N ATOM 0 H HIS A 31 6.087 -3.314 -5.617 1.00 0.00 H new ATOM 0 HA HIS A 31 4.936 -1.166 -3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.661 -1.266 -5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.101 -0.047 -4.189 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.085 -1.855 -1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.615 -2.416 -4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.800 -3.079 -0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.918 -3.416 -1.679 1.00 0.00 H new ATOM 449 N LYS A 32 4.592 0.479 -5.826 1.00 0.00 N ATOM 450 CA LYS A 32 4.298 1.437 -6.904 1.00 0.00 C ATOM 451 C LYS A 32 5.604 2.084 -7.366 1.00 0.00 C ATOM 452 O LYS A 32 6.403 2.527 -6.542 1.00 0.00 O ATOM 453 CB LYS A 32 3.271 2.460 -6.385 1.00 0.00 C ATOM 454 CG LYS A 32 3.083 3.702 -7.274 1.00 0.00 C ATOM 455 CD LYS A 32 1.967 4.579 -6.693 1.00 0.00 C ATOM 456 CE LYS A 32 2.015 6.004 -7.258 1.00 0.00 C ATOM 457 NZ LYS A 32 1.137 6.910 -6.467 1.00 0.00 N1+ ATOM 0 H LYS A 32 4.331 0.822 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 32 3.860 0.943 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.308 1.961 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.576 2.786 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.013 4.267 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.832 3.401 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.999 4.131 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.059 4.614 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.040 6.374 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.697 5.999 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.234 7.883 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.148 6.604 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.416 6.876 -5.466 1.00 0.00 H new ATOM 471 N ALA A 33 5.798 2.172 -8.677 1.00 0.00 N ATOM 472 CA ALA A 33 7.009 2.709 -9.293 1.00 0.00 C ATOM 473 C ALA A 33 6.675 3.535 -10.551 1.00 0.00 C ATOM 474 O ALA A 33 5.633 3.341 -11.181 1.00 0.00 O ATOM 475 CB ALA A 33 7.931 1.525 -9.604 1.00 0.00 C ATOM 0 H ALA A 33 5.103 1.865 -9.358 1.00 0.00 H new ATOM 0 HA ALA A 33 7.514 3.396 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.848 1.890 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.174 1.001 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.427 0.841 -10.287 1.00 0.00 H new ATOM 481 N THR A 34 7.542 4.480 -10.926 1.00 0.00 N ATOM 482 CA THR A 34 7.390 5.290 -12.152 1.00 0.00 C ATOM 483 C THR A 34 8.747 5.783 -12.643 1.00 0.00 C ATOM 484 O THR A 34 9.409 6.552 -11.944 1.00 0.00 O ATOM 485 CB THR A 34 6.473 6.507 -11.916 1.00 0.00 C ATOM 486 OG1 THR A 34 5.207 6.083 -11.455 1.00 0.00 O ATOM 487 CG2 THR A 34 6.221 7.307 -13.195 1.00 0.00 C ATOM 0 H THR A 34 8.377 4.711 -10.388 1.00 0.00 H new ATOM 0 HA THR A 34 6.936 4.647 -12.906 1.00 0.00 H new ATOM 0 HB THR A 34 6.987 7.131 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.171 5.104 -11.453 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.570 8.152 -12.973 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.169 7.673 -13.588 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.744 6.666 -13.937 1.00 0.00 H new ATOM 495 N VAL A 35 9.159 5.350 -13.837 1.00 0.00 N ATOM 496 CA VAL A 35 10.337 5.877 -14.545 1.00 0.00 C ATOM 497 C VAL A 35 10.047 7.266 -15.119 1.00 0.00 C ATOM 498 O VAL A 35 9.000 7.489 -15.734 1.00 0.00 O ATOM 499 CB VAL A 35 10.776 4.932 -15.685 1.00 0.00 C ATOM 500 CG1 VAL A 35 11.990 5.459 -16.463 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.189 3.570 -15.126 1.00 0.00 C ATOM 0 H VAL A 35 8.678 4.611 -14.351 1.00 0.00 H new ATOM 0 HA VAL A 35 11.147 5.949 -13.819 1.00 0.00 H new ATOM 0 HB VAL A 35 9.914 4.860 -16.348 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.252 4.753 -17.251 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.746 6.424 -16.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.835 5.575 -15.784 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.495 2.918 -15.944 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.021 3.698 -14.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.346 3.121 -14.601 1.00 0.00 H new ATOM 511 N PHE A 36 11.028 8.165 -15.003 1.00 0.00 N ATOM 512 CA PHE A 36 11.028 9.493 -15.623 1.00 0.00 C ATOM 513 C PHE A 36 12.306 9.678 -16.459 1.00 0.00 C ATOM 514 O PHE A 36 13.382 9.911 -15.910 1.00 0.00 O ATOM 515 CB PHE A 36 10.883 10.580 -14.545 1.00 0.00 C ATOM 516 CG PHE A 36 9.643 10.479 -13.676 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.414 10.991 -14.137 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.718 9.902 -12.393 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.272 10.937 -13.318 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.577 9.857 -11.570 1.00 0.00 C ATOM 521 CZ PHE A 36 7.357 10.381 -12.031 1.00 0.00 C ATOM 0 H PHE A 36 11.871 7.983 -14.458 1.00 0.00 H new ATOM 0 HA PHE A 36 10.175 9.584 -16.295 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.761 10.546 -13.900 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.884 11.554 -15.034 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.349 11.427 -15.123 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.653 9.493 -12.040 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.330 11.323 -13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.639 9.420 -10.584 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.484 10.356 -11.395 1.00 0.00 H new ATOM 531 N GLU A 37 12.200 9.526 -17.785 1.00 0.00 N ATOM 532 CA GLU A 37 13.337 9.581 -18.728 1.00 0.00 C ATOM 533 C GLU A 37 13.874 11.003 -19.016 1.00 0.00 C ATOM 534 O GLU A 37 15.033 11.157 -19.406 1.00 0.00 O ATOM 535 CB GLU A 37 12.976 8.855 -20.038 1.00 0.00 C ATOM 536 CG GLU A 37 11.891 9.551 -20.868 1.00 0.00 C ATOM 537 CD GLU A 37 11.559 8.743 -22.134 1.00 0.00 C ATOM 538 OE1 GLU A 37 12.206 8.960 -23.188 1.00 0.00 O ATOM 539 OE2 GLU A 37 10.631 7.898 -22.092 1.00 0.00 O1- ATOM 0 H GLU A 37 11.306 9.358 -18.247 1.00 0.00 H new ATOM 0 HA GLU A 37 14.159 9.067 -18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.876 8.759 -20.646 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.642 7.845 -19.800 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.991 9.675 -20.265 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.227 10.549 -21.148 1.00 0.00 H new ATOM 546 N ASP A 38 13.044 12.032 -18.808 1.00 0.00 N ATOM 547 CA ASP A 38 13.361 13.458 -18.999 1.00 0.00 C ATOM 548 C ASP A 38 12.638 14.301 -17.916 1.00 0.00 C ATOM 549 O ASP A 38 11.701 15.052 -18.221 1.00 0.00 O ATOM 550 CB ASP A 38 12.988 13.862 -20.437 1.00 0.00 C ATOM 551 CG ASP A 38 13.321 15.332 -20.761 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.404 15.818 -20.356 1.00 0.00 O ATOM 553 OD2 ASP A 38 12.520 15.988 -21.474 1.00 0.00 O1- ATOM 0 H ASP A 38 12.087 11.889 -18.487 1.00 0.00 H new ATOM 0 HA ASP A 38 14.428 13.645 -18.876 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.515 13.214 -21.138 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.922 13.696 -20.589 1.00 0.00 H new ATOM 558 N PRO A 39 12.989 14.107 -16.628 1.00 0.00 N ATOM 559 CA PRO A 39 12.256 14.655 -15.486 1.00 0.00 C ATOM 560 C PRO A 39 12.343 16.183 -15.340 1.00 0.00 C ATOM 561 O PRO A 39 13.276 16.848 -15.800 1.00 0.00 O ATOM 562 CB PRO A 39 12.854 13.961 -14.256 1.00 0.00 C ATOM 563 CG PRO A 39 14.282 13.630 -14.682 1.00 0.00 C ATOM 564 CD PRO A 39 14.123 13.315 -16.165 1.00 0.00 C ATOM 0 HA PRO A 39 11.190 14.467 -15.617 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.838 14.612 -13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.296 13.062 -13.994 1.00 0.00 H new ATOM 0 HG2 PRO A 39 14.959 14.468 -14.516 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.684 12.781 -14.128 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.028 13.570 -16.717 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.944 12.251 -16.320 1.00 0.00 H new ATOM 572 N GLU A 40 11.387 16.717 -14.584 1.00 0.00 N ATOM 573 CA GLU A 40 11.315 18.095 -14.090 1.00 0.00 C ATOM 574 C GLU A 40 11.005 18.077 -12.578 1.00 0.00 C ATOM 575 O GLU A 40 10.560 17.059 -12.042 1.00 0.00 O ATOM 576 CB GLU A 40 10.241 18.845 -14.904 1.00 0.00 C ATOM 577 CG GLU A 40 10.253 20.376 -14.738 1.00 0.00 C ATOM 578 CD GLU A 40 8.921 20.898 -14.171 1.00 0.00 C ATOM 579 OE1 GLU A 40 8.731 20.841 -12.934 1.00 0.00 O1- ATOM 580 OE2 GLU A 40 8.055 21.356 -14.956 1.00 0.00 O ATOM 0 H GLU A 40 10.587 16.163 -14.278 1.00 0.00 H new ATOM 0 HA GLU A 40 12.264 18.616 -14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.374 18.608 -15.959 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.259 18.470 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.068 20.664 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.447 20.845 -15.703 1.00 0.00 H new ATOM 587 N LEU A 41 11.250 19.178 -11.857 1.00 0.00 N ATOM 588 CA LEU A 41 11.081 19.237 -10.397 1.00 0.00 C ATOM 589 C LEU A 41 9.683 18.800 -9.927 1.00 0.00 C ATOM 590 O LEU A 41 9.572 18.083 -8.934 1.00 0.00 O ATOM 591 CB LEU A 41 11.485 20.651 -9.925 1.00 0.00 C ATOM 592 CG LEU A 41 11.665 20.881 -8.408 1.00 0.00 C ATOM 593 CD1 LEU A 41 10.374 21.309 -7.711 1.00 0.00 C ATOM 594 CD2 LEU A 41 12.263 19.691 -7.668 1.00 0.00 C ATOM 0 H LEU A 41 11.571 20.054 -12.268 1.00 0.00 H new ATOM 0 HA LEU A 41 11.739 18.507 -9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.422 20.913 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.730 21.352 -10.283 1.00 0.00 H new ATOM 0 HG LEU A 41 12.382 21.700 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.566 21.455 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.017 22.242 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.617 20.536 -7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.357 19.931 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.613 18.824 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.247 19.465 -8.078 1.00 0.00 H new ATOM 606 N SER A 42 8.630 19.123 -10.678 1.00 0.00 N ATOM 607 CA SER A 42 7.248 18.677 -10.432 1.00 0.00 C ATOM 608 C SER A 42 7.058 17.146 -10.405 1.00 0.00 C ATOM 609 O SER A 42 6.055 16.675 -9.866 1.00 0.00 O ATOM 610 CB SER A 42 6.303 19.258 -11.493 1.00 0.00 C ATOM 611 OG SER A 42 6.476 20.656 -11.645 1.00 0.00 O ATOM 0 H SER A 42 8.712 19.720 -11.501 1.00 0.00 H new ATOM 0 HA SER A 42 7.011 19.046 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.482 18.764 -12.448 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.270 19.048 -11.214 1.00 0.00 H new ATOM 0 HG SER A 42 7.058 20.832 -12.413 1.00 0.00 H new ATOM 617 N ASP A 43 7.988 16.359 -10.957 1.00 0.00 N ATOM 618 CA ASP A 43 7.978 14.891 -10.873 1.00 0.00 C ATOM 619 C ASP A 43 8.597 14.375 -9.559 1.00 0.00 C ATOM 620 O ASP A 43 8.118 13.384 -9.004 1.00 0.00 O ATOM 621 CB ASP A 43 8.731 14.270 -12.060 1.00 0.00 C ATOM 622 CG ASP A 43 8.149 14.692 -13.422 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.914 14.579 -13.626 1.00 0.00 O1- ATOM 624 OD2 ASP A 43 8.931 15.122 -14.306 1.00 0.00 O ATOM 0 H ASP A 43 8.781 16.727 -11.483 1.00 0.00 H new ATOM 0 HA ASP A 43 6.931 14.589 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.780 14.562 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.699 13.184 -11.977 1.00 0.00 H new ATOM 629 N TRP A 44 9.630 15.054 -9.038 1.00 0.00 N ATOM 630 CA TRP A 44 10.216 14.772 -7.719 1.00 0.00 C ATOM 631 C TRP A 44 9.329 15.282 -6.567 1.00 0.00 C ATOM 632 O TRP A 44 9.187 14.626 -5.533 1.00 0.00 O ATOM 633 CB TRP A 44 11.620 15.394 -7.656 1.00 0.00 C ATOM 634 CG TRP A 44 12.380 15.109 -6.405 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.226 15.734 -5.216 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.412 14.100 -6.199 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.088 15.185 -4.290 1.00 0.00 N ATOM 638 CE2 TRP A 44 13.842 14.168 -4.841 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.018 13.128 -7.020 1.00 0.00 C ATOM 640 CZ2 TRP A 44 14.821 13.306 -4.333 1.00 0.00 C ATOM 641 CZ3 TRP A 44 14.990 12.245 -6.512 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.413 12.355 -5.179 1.00 0.00 C ATOM 0 H TRP A 44 10.087 15.824 -9.527 1.00 0.00 H new ATOM 0 HA TRP A 44 10.287 13.692 -7.593 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.199 15.033 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.528 16.474 -7.769 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.534 16.540 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.160 15.492 -3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.731 13.059 -8.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.119 13.372 -3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.411 11.482 -7.150 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.193 11.709 -4.804 1.00 0.00 H new ATOM 653 N LEU A 45 8.698 16.441 -6.775 1.00 0.00 N ATOM 654 CA LEU A 45 7.871 17.206 -5.839 1.00 0.00 C ATOM 655 C LEU A 45 6.899 16.388 -4.950 1.00 0.00 C ATOM 656 O LEU A 45 6.899 16.640 -3.743 1.00 0.00 O ATOM 657 CB LEU A 45 7.180 18.303 -6.677 1.00 0.00 C ATOM 658 CG LEU A 45 6.261 19.286 -5.937 1.00 0.00 C ATOM 659 CD1 LEU A 45 7.024 20.111 -4.902 1.00 0.00 C ATOM 660 CD2 LEU A 45 5.629 20.249 -6.942 1.00 0.00 C ATOM 0 H LEU A 45 8.758 16.907 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 45 8.515 17.634 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.955 18.881 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.593 17.813 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 45 5.501 18.697 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.337 20.793 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.474 19.445 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.807 20.684 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.977 20.947 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.413 20.803 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.046 19.685 -7.669 1.00 0.00 H new ATOM 672 N PRO A 46 6.102 15.414 -5.452 1.00 0.00 N ATOM 673 CA PRO A 46 5.202 14.623 -4.602 1.00 0.00 C ATOM 674 C PRO A 46 5.906 13.529 -3.774 1.00 0.00 C ATOM 675 O PRO A 46 5.444 13.202 -2.679 1.00 0.00 O ATOM 676 CB PRO A 46 4.184 14.000 -5.568 1.00 0.00 C ATOM 677 CG PRO A 46 4.958 13.879 -6.878 1.00 0.00 C ATOM 678 CD PRO A 46 5.836 15.127 -6.856 1.00 0.00 C ATOM 0 HA PRO A 46 4.747 15.269 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.839 13.028 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.301 14.629 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.551 12.965 -6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.294 13.864 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.765 14.959 -7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.332 15.966 -7.336 1.00 0.00 H new ATOM 686 N TYR A 47 7.013 12.953 -4.259 1.00 0.00 N ATOM 687 CA TYR A 47 7.671 11.796 -3.629 1.00 0.00 C ATOM 688 C TYR A 47 8.588 12.140 -2.443 1.00 0.00 C ATOM 689 O TYR A 47 8.996 11.233 -1.719 1.00 0.00 O ATOM 690 CB TYR A 47 8.456 10.999 -4.679 1.00 0.00 C ATOM 691 CG TYR A 47 7.609 10.142 -5.597 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.050 8.944 -5.108 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.425 10.506 -6.944 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.298 8.120 -5.965 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.681 9.677 -7.807 1.00 0.00 C ATOM 696 CZ TYR A 47 6.114 8.480 -7.316 1.00 0.00 C ATOM 697 OH TYR A 47 5.394 7.667 -8.132 1.00 0.00 O ATOM 0 H TYR A 47 7.482 13.277 -5.105 1.00 0.00 H new ATOM 0 HA TYR A 47 6.862 11.196 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.032 11.697 -5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.172 10.357 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.199 8.659 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.855 11.424 -7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.860 7.208 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.545 9.956 -8.841 1.00 0.00 H new ATOM 0 HH TYR A 47 5.358 8.055 -9.031 1.00 0.00 H new ATOM 707 N GLN A 48 8.887 13.421 -2.187 1.00 0.00 N ATOM 708 CA GLN A 48 9.690 13.843 -1.025 1.00 0.00 C ATOM 709 C GLN A 48 9.132 13.357 0.336 1.00 0.00 C ATOM 710 O GLN A 48 9.894 13.127 1.273 1.00 0.00 O ATOM 711 CB GLN A 48 9.887 15.370 -1.041 1.00 0.00 C ATOM 712 CG GLN A 48 8.607 16.173 -0.759 1.00 0.00 C ATOM 713 CD GLN A 48 8.837 17.676 -0.878 1.00 0.00 C ATOM 714 OE1 GLN A 48 9.577 18.291 -0.122 1.00 0.00 O ATOM 715 NE2 GLN A 48 8.200 18.330 -1.823 1.00 0.00 N ATOM 0 H GLN A 48 8.581 14.195 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 48 10.659 13.354 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.640 15.636 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.280 15.664 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.827 15.869 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.246 15.940 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.580 17.830 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.326 19.338 -1.919 1.00 0.00 H new ATOM 724 N ASP A 49 7.808 13.162 0.432 1.00 0.00 N ATOM 725 CA ASP A 49 7.105 12.625 1.613 1.00 0.00 C ATOM 726 C ASP A 49 7.194 11.084 1.748 1.00 0.00 C ATOM 727 O ASP A 49 6.740 10.520 2.747 1.00 0.00 O ATOM 728 CB ASP A 49 5.638 13.082 1.518 1.00 0.00 C ATOM 729 CG ASP A 49 4.835 12.819 2.805 1.00 0.00 C ATOM 730 OD1 ASP A 49 5.208 13.359 3.875 1.00 0.00 O ATOM 731 OD2 ASP A 49 3.793 12.121 2.740 1.00 0.00 O1- ATOM 0 H ASP A 49 7.173 13.381 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 49 7.590 13.011 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.610 14.148 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.157 12.567 0.686 1.00 0.00 H new ATOM 736 N LYS A 50 7.790 10.399 0.758 1.00 0.00 N ATOM 737 CA LYS A 50 7.774 8.935 0.593 1.00 0.00 C ATOM 738 C LYS A 50 9.190 8.389 0.345 1.00 0.00 C ATOM 739 O LYS A 50 10.035 8.504 1.240 1.00 0.00 O ATOM 740 CB LYS A 50 6.725 8.567 -0.485 1.00 0.00 C ATOM 741 CG LYS A 50 5.336 9.106 -0.103 1.00 0.00 C ATOM 742 CD LYS A 50 4.218 8.660 -1.043 1.00 0.00 C ATOM 743 CE LYS A 50 2.927 9.348 -0.577 1.00 0.00 C ATOM 744 NZ LYS A 50 1.759 8.939 -1.403 1.00 0.00 N1+ ATOM 0 H LYS A 50 8.317 10.868 0.021 1.00 0.00 H new ATOM 0 HA LYS A 50 7.460 8.441 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.027 8.978 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.680 7.484 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.097 8.781 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.372 10.195 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.449 8.934 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.106 7.576 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.739 9.100 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.051 10.430 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.899 9.397 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.914 9.228 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.647 7.906 -1.358 1.00 0.00 H new ATOM 758 N TYR A 51 9.442 7.816 -0.831 1.00 0.00 N ATOM 759 CA TYR A 51 10.732 7.267 -1.253 1.00 0.00 C ATOM 760 C TYR A 51 10.983 7.554 -2.734 1.00 0.00 C ATOM 761 O TYR A 51 10.060 7.826 -3.506 1.00 0.00 O ATOM 762 CB TYR A 51 10.771 5.747 -1.034 1.00 0.00 C ATOM 763 CG TYR A 51 10.386 5.248 0.346 1.00 0.00 C ATOM 764 CD1 TYR A 51 11.357 5.159 1.361 1.00 0.00 C ATOM 765 CD2 TYR A 51 9.067 4.826 0.591 1.00 0.00 C ATOM 766 CE1 TYR A 51 11.015 4.631 2.621 1.00 0.00 C ATOM 767 CE2 TYR A 51 8.720 4.287 1.845 1.00 0.00 C ATOM 768 CZ TYR A 51 9.697 4.183 2.859 1.00 0.00 C ATOM 769 OH TYR A 51 9.371 3.634 4.059 1.00 0.00 O ATOM 0 H TYR A 51 8.723 7.717 -1.547 1.00 0.00 H new ATOM 0 HA TYR A 51 11.506 7.744 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.107 5.281 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.780 5.397 -1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.366 5.496 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.319 4.915 -0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.758 4.569 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.709 3.954 2.030 1.00 0.00 H new ATOM 0 HH TYR A 51 8.408 3.455 4.086 1.00 0.00 H new ATOM 779 N VAL A 52 12.250 7.465 -3.132 1.00 0.00 N ATOM 780 CA VAL A 52 12.730 7.738 -4.496 1.00 0.00 C ATOM 781 C VAL A 52 13.993 6.942 -4.809 1.00 0.00 C ATOM 782 O VAL A 52 14.553 6.279 -3.937 1.00 0.00 O ATOM 783 CB VAL A 52 13.010 9.238 -4.708 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.764 10.123 -4.637 1.00 0.00 C ATOM 785 CG2 VAL A 52 14.043 9.778 -3.729 1.00 0.00 C ATOM 0 H VAL A 52 13.000 7.192 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 52 11.935 7.428 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 52 13.400 9.288 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.047 11.163 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.056 9.817 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.300 10.020 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.205 10.839 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.683 9.643 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.982 9.239 -3.856 1.00 0.00 H new ATOM 795 N LEU A 53 14.430 6.988 -6.066 1.00 0.00 N ATOM 796 CA LEU A 53 15.617 6.300 -6.564 1.00 0.00 C ATOM 797 C LEU A 53 16.098 6.967 -7.864 1.00 0.00 C ATOM 798 O LEU A 53 15.308 7.529 -8.627 1.00 0.00 O ATOM 799 CB LEU A 53 15.254 4.802 -6.656 1.00 0.00 C ATOM 800 CG LEU A 53 15.790 3.949 -7.815 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.282 3.615 -7.711 1.00 0.00 C ATOM 802 CD2 LEU A 53 15.061 2.606 -7.886 1.00 0.00 C ATOM 0 H LEU A 53 13.950 7.524 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 53 16.480 6.376 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.583 4.332 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.166 4.733 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 53 15.621 4.564 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.580 3.011 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.862 4.538 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.467 3.058 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.458 2.020 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.209 2.062 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.996 2.778 -8.041 1.00 0.00 H new ATOM 814 N VAL A 54 17.409 6.926 -8.102 1.00 0.00 N ATOM 815 CA VAL A 54 18.093 7.670 -9.172 1.00 0.00 C ATOM 816 C VAL A 54 18.916 6.711 -10.031 1.00 0.00 C ATOM 817 O VAL A 54 19.603 5.843 -9.490 1.00 0.00 O ATOM 818 CB VAL A 54 19.026 8.727 -8.560 1.00 0.00 C ATOM 819 CG1 VAL A 54 19.638 9.637 -9.632 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.324 9.613 -7.519 1.00 0.00 C ATOM 0 H VAL A 54 18.047 6.360 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 54 17.343 8.161 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 54 19.812 8.157 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.291 10.370 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.217 9.035 -10.333 1.00 0.00 H new ATOM 0 HG13 VAL A 54 18.842 10.154 -10.168 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.033 10.340 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.492 10.137 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.948 8.991 -6.706 1.00 0.00 H new ATOM 830 N VAL A 55 18.868 6.878 -11.356 1.00 0.00 N ATOM 831 CA VAL A 55 19.545 6.018 -12.340 1.00 0.00 C ATOM 832 C VAL A 55 20.208 6.904 -13.408 1.00 0.00 C ATOM 833 O VAL A 55 19.560 7.293 -14.379 1.00 0.00 O ATOM 834 CB VAL A 55 18.567 4.981 -12.934 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.358 3.856 -13.599 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.663 4.307 -11.889 1.00 0.00 C ATOM 0 H VAL A 55 18.342 7.637 -11.790 1.00 0.00 H new ATOM 0 HA VAL A 55 20.330 5.439 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 55 17.943 5.539 -13.632 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.667 3.124 -14.018 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.977 4.268 -14.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.994 3.372 -12.858 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.005 3.592 -12.384 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.279 3.786 -11.157 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.063 5.064 -11.385 1.00 0.00 H new ATOM 846 N THR A 56 21.498 7.235 -13.257 1.00 0.00 N ATOM 847 CA THR A 56 22.159 8.279 -14.090 1.00 0.00 C ATOM 848 C THR A 56 23.556 7.922 -14.625 1.00 0.00 C ATOM 849 O THR A 56 24.387 7.362 -13.915 1.00 0.00 O ATOM 850 CB THR A 56 22.213 9.576 -13.257 1.00 0.00 C ATOM 851 OG1 THR A 56 20.894 10.012 -13.013 1.00 0.00 O ATOM 852 CG2 THR A 56 22.937 10.756 -13.906 1.00 0.00 C ATOM 0 H THR A 56 22.114 6.802 -12.569 1.00 0.00 H new ATOM 0 HA THR A 56 21.558 8.389 -14.993 1.00 0.00 H new ATOM 0 HB THR A 56 22.774 9.305 -12.363 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.888 10.621 -12.245 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.913 11.613 -13.232 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.972 10.481 -14.108 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.442 11.017 -14.842 1.00 0.00 H new ATOM 860 N SER A 57 23.830 8.293 -15.880 1.00 0.00 N ATOM 861 CA SER A 57 25.132 8.140 -16.564 1.00 0.00 C ATOM 862 C SER A 57 26.047 9.372 -16.371 1.00 0.00 C ATOM 863 O SER A 57 25.666 10.339 -15.718 1.00 0.00 O ATOM 864 CB SER A 57 24.909 7.888 -18.065 1.00 0.00 C ATOM 865 OG SER A 57 23.812 7.010 -18.242 1.00 0.00 O ATOM 0 H SER A 57 23.126 8.727 -16.477 1.00 0.00 H new ATOM 0 HA SER A 57 25.636 7.285 -16.113 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.719 8.831 -18.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.807 7.458 -18.509 1.00 0.00 H new ATOM 0 HG SER A 57 23.670 6.852 -19.199 1.00 0.00 H new ATOM 871 N THR A 58 27.246 9.381 -16.973 1.00 0.00 N ATOM 872 CA THR A 58 28.178 10.544 -16.960 1.00 0.00 C ATOM 873 C THR A 58 28.617 10.910 -18.385 1.00 0.00 C ATOM 874 O THR A 58 28.879 10.010 -19.172 1.00 0.00 O ATOM 875 CB THR A 58 29.401 10.204 -16.095 1.00 0.00 C ATOM 876 OG1 THR A 58 28.981 9.794 -14.820 1.00 0.00 O ATOM 877 CG2 THR A 58 30.323 11.392 -15.866 1.00 0.00 C ATOM 0 H THR A 58 27.609 8.580 -17.490 1.00 0.00 H new ATOM 0 HA THR A 58 27.662 11.406 -16.538 1.00 0.00 H new ATOM 0 HB THR A 58 29.937 9.426 -16.638 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.068 10.112 -14.658 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.166 11.084 -15.248 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.690 11.758 -16.825 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.774 12.187 -15.361 1.00 0.00 H new ATOM 885 N THR A 59 28.713 12.190 -18.759 1.00 0.00 N ATOM 886 CA THR A 59 28.932 12.626 -20.151 1.00 0.00 C ATOM 887 C THR A 59 29.519 14.048 -20.191 1.00 0.00 C ATOM 888 O THR A 59 29.940 14.566 -19.158 1.00 0.00 O ATOM 889 CB THR A 59 27.606 12.501 -20.933 1.00 0.00 C ATOM 890 OG1 THR A 59 27.831 12.612 -22.313 1.00 0.00 O ATOM 891 CG2 THR A 59 26.575 13.565 -20.580 1.00 0.00 C ATOM 0 H THR A 59 28.641 12.965 -18.100 1.00 0.00 H new ATOM 0 HA THR A 59 29.667 11.983 -20.634 1.00 0.00 H new ATOM 0 HB THR A 59 27.216 11.522 -20.653 1.00 0.00 H new ATOM 0 HG1 THR A 59 26.980 12.529 -22.791 1.00 0.00 H new ATOM 0 HG21 THR A 59 25.673 13.408 -21.172 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.330 13.497 -19.520 1.00 0.00 H new ATOM 0 HG23 THR A 59 26.983 14.553 -20.796 1.00 0.00 H new ATOM 930 N ASP A 63 30.546 14.991 -16.400 1.00 0.00 N ATOM 931 CA ASP A 63 29.482 15.783 -15.772 1.00 0.00 C ATOM 932 C ASP A 63 28.088 15.122 -15.894 1.00 0.00 C ATOM 933 O ASP A 63 27.913 14.099 -16.566 1.00 0.00 O ATOM 934 CB ASP A 63 29.501 17.155 -16.477 1.00 0.00 C ATOM 935 CG ASP A 63 28.691 18.265 -15.779 1.00 0.00 C ATOM 936 OD1 ASP A 63 28.431 18.169 -14.557 1.00 0.00 O ATOM 937 OD2 ASP A 63 28.327 19.249 -16.466 1.00 0.00 O1- ATOM 0 HA ASP A 63 29.664 15.869 -14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.536 17.485 -16.567 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.118 17.030 -17.490 1.00 0.00 H new ATOM 942 N LEU A 64 27.086 15.738 -15.259 1.00 0.00 N ATOM 943 CA LEU A 64 25.659 15.436 -15.390 1.00 0.00 C ATOM 944 C LEU A 64 25.198 15.459 -16.871 1.00 0.00 C ATOM 945 O LEU A 64 25.543 16.396 -17.601 1.00 0.00 O ATOM 946 CB LEU A 64 24.864 16.497 -14.603 1.00 0.00 C ATOM 947 CG LEU A 64 24.938 16.362 -13.072 1.00 0.00 C ATOM 948 CD1 LEU A 64 24.715 17.722 -12.418 1.00 0.00 C ATOM 949 CD2 LEU A 64 23.866 15.408 -12.544 1.00 0.00 C ATOM 0 H LEU A 64 27.259 16.501 -14.605 1.00 0.00 H new ATOM 0 HA LEU A 64 25.481 14.434 -14.999 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.229 17.485 -14.884 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.819 16.445 -14.907 1.00 0.00 H new ATOM 0 HG LEU A 64 25.925 15.970 -12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.769 17.618 -11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 64 25.484 18.418 -12.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.733 18.103 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.946 15.335 -11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.879 15.786 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.008 14.421 -12.985 1.00 0.00 H new ATOM 961 N PRO A 65 24.374 14.491 -17.317 1.00 0.00 N ATOM 962 CA PRO A 65 23.729 14.526 -18.627 1.00 0.00 C ATOM 963 C PRO A 65 22.578 15.535 -18.636 1.00 0.00 C ATOM 964 O PRO A 65 21.824 15.657 -17.669 1.00 0.00 O ATOM 965 CB PRO A 65 23.247 13.093 -18.869 1.00 0.00 C ATOM 966 CG PRO A 65 22.972 12.570 -17.465 1.00 0.00 C ATOM 967 CD PRO A 65 23.962 13.314 -16.576 1.00 0.00 C ATOM 0 HA PRO A 65 24.404 14.851 -19.419 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.351 13.070 -19.489 1.00 0.00 H new ATOM 0 HB3 PRO A 65 24.003 12.496 -19.379 1.00 0.00 H new ATOM 0 HG2 PRO A 65 21.943 12.767 -17.163 1.00 0.00 H new ATOM 0 HG3 PRO A 65 23.121 11.492 -17.408 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.500 13.593 -15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 65 24.820 12.685 -16.339 1.00 0.00 H new ATOM 975 N ASP A 66 22.407 16.251 -19.746 1.00 0.00 N ATOM 976 CA ASP A 66 21.469 17.376 -19.837 1.00 0.00 C ATOM 977 C ASP A 66 20.006 17.005 -19.525 1.00 0.00 C ATOM 978 O ASP A 66 19.251 17.842 -19.034 1.00 0.00 O ATOM 979 CB ASP A 66 21.594 18.028 -21.218 1.00 0.00 C ATOM 980 CG ASP A 66 20.802 19.342 -21.313 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.184 20.330 -20.637 1.00 0.00 O1- ATOM 982 OD2 ASP A 66 19.818 19.403 -22.091 1.00 0.00 O ATOM 0 H ASP A 66 22.915 16.069 -20.612 1.00 0.00 H new ATOM 0 HA ASP A 66 21.748 18.087 -19.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 22.645 18.223 -21.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.237 17.334 -21.979 1.00 0.00 H new ATOM 987 N SER A 67 19.623 15.737 -19.718 1.00 0.00 N ATOM 988 CA SER A 67 18.307 15.198 -19.335 1.00 0.00 C ATOM 989 C SER A 67 17.996 15.252 -17.827 1.00 0.00 C ATOM 990 O SER A 67 16.825 15.147 -17.460 1.00 0.00 O ATOM 991 CB SER A 67 18.167 13.749 -19.815 1.00 0.00 C ATOM 992 OG SER A 67 18.423 13.648 -21.205 1.00 0.00 O ATOM 0 H SER A 67 20.229 15.041 -20.153 1.00 0.00 H new ATOM 0 HA SER A 67 17.585 15.853 -19.823 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.861 13.112 -19.267 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.162 13.386 -19.599 1.00 0.00 H new ATOM 0 HG SER A 67 18.735 12.743 -21.415 1.00 0.00 H new ATOM 998 N ILE A 68 18.997 15.431 -16.944 1.00 0.00 N ATOM 999 CA ILE A 68 18.803 15.536 -15.477 1.00 0.00 C ATOM 1000 C ILE A 68 19.384 16.817 -14.856 1.00 0.00 C ATOM 1001 O ILE A 68 19.000 17.181 -13.747 1.00 0.00 O ATOM 1002 CB ILE A 68 19.286 14.246 -14.775 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.531 14.017 -13.449 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.812 14.238 -14.571 1.00 0.00 C ATOM 1005 CD1 ILE A 68 18.844 12.682 -12.766 1.00 0.00 C ATOM 0 H ILE A 68 19.974 15.508 -17.227 1.00 0.00 H new ATOM 0 HA ILE A 68 17.731 15.630 -15.306 1.00 0.00 H new ATOM 0 HB ILE A 68 19.053 13.410 -15.435 1.00 0.00 H new ATOM 0 HG12 ILE A 68 18.773 14.828 -12.762 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.459 14.071 -13.641 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.108 13.314 -14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.309 14.305 -15.539 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.101 15.089 -13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.271 12.603 -11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.575 11.861 -13.431 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.909 12.631 -12.539 1.00 0.00 H new ATOM 1017 N VAL A 69 20.213 17.574 -15.584 1.00 0.00 N ATOM 1018 CA VAL A 69 20.684 18.928 -15.215 1.00 0.00 C ATOM 1019 C VAL A 69 19.567 19.867 -14.704 1.00 0.00 C ATOM 1020 O VAL A 69 19.795 20.526 -13.681 1.00 0.00 O ATOM 1021 CB VAL A 69 21.473 19.534 -16.401 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.783 21.027 -16.264 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.828 18.831 -16.549 1.00 0.00 C ATOM 0 H VAL A 69 20.591 17.257 -16.477 1.00 0.00 H new ATOM 0 HA VAL A 69 21.349 18.823 -14.358 1.00 0.00 H new ATOM 0 HB VAL A 69 20.820 19.392 -17.262 1.00 0.00 H new ATOM 0 HG11 VAL A 69 22.337 21.365 -17.139 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.851 21.587 -16.186 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.382 21.194 -15.369 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.374 19.266 -17.386 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.406 18.958 -15.634 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.669 17.768 -16.732 1.00 0.00 H new ATOM 1033 N PRO A 70 18.355 19.929 -15.307 1.00 0.00 N ATOM 1034 CA PRO A 70 17.267 20.757 -14.779 1.00 0.00 C ATOM 1035 C PRO A 70 16.568 20.162 -13.542 1.00 0.00 C ATOM 1036 O PRO A 70 16.044 20.920 -12.727 1.00 0.00 O ATOM 1037 CB PRO A 70 16.289 20.930 -15.948 1.00 0.00 C ATOM 1038 CG PRO A 70 16.471 19.650 -16.755 1.00 0.00 C ATOM 1039 CD PRO A 70 17.966 19.381 -16.604 1.00 0.00 C ATOM 0 HA PRO A 70 17.662 21.706 -14.417 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.262 21.042 -15.599 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.523 21.815 -16.540 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.869 18.832 -16.361 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.185 19.783 -17.798 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.175 18.312 -16.653 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.529 19.853 -17.409 1.00 0.00 H new ATOM 1047 N LEU A 71 16.589 18.835 -13.351 1.00 0.00 N ATOM 1048 CA LEU A 71 16.060 18.201 -12.132 1.00 0.00 C ATOM 1049 C LEU A 71 16.990 18.495 -10.956 1.00 0.00 C ATOM 1050 O LEU A 71 16.542 18.919 -9.893 1.00 0.00 O ATOM 1051 CB LEU A 71 15.885 16.676 -12.341 1.00 0.00 C ATOM 1052 CG LEU A 71 15.319 15.981 -11.079 1.00 0.00 C ATOM 1053 CD1 LEU A 71 13.906 16.461 -10.752 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.289 14.464 -11.233 1.00 0.00 C ATOM 0 H LEU A 71 16.969 18.175 -14.030 1.00 0.00 H new ATOM 0 HA LEU A 71 15.077 18.616 -11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.216 16.500 -13.183 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.847 16.232 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 71 15.991 16.250 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.545 15.949 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.919 17.536 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.244 16.241 -11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.885 14.014 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.659 14.197 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.301 14.095 -11.401 1.00 0.00 H new ATOM 1066 N PHE A 72 18.290 18.331 -11.199 1.00 0.00 N ATOM 1067 CA PHE A 72 19.372 18.666 -10.290 1.00 0.00 C ATOM 1068 C PHE A 72 19.240 20.111 -9.767 1.00 0.00 C ATOM 1069 O PHE A 72 19.041 20.317 -8.571 1.00 0.00 O ATOM 1070 CB PHE A 72 20.680 18.336 -11.033 1.00 0.00 C ATOM 1071 CG PHE A 72 21.941 18.854 -10.387 1.00 0.00 C ATOM 1072 CD1 PHE A 72 22.587 18.115 -9.379 1.00 0.00 C ATOM 1073 CD2 PHE A 72 22.479 20.078 -10.820 1.00 0.00 C ATOM 1074 CE1 PHE A 72 23.748 18.627 -8.772 1.00 0.00 C ATOM 1075 CE2 PHE A 72 23.641 20.588 -10.215 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.271 19.865 -9.186 1.00 0.00 C ATOM 0 H PHE A 72 18.628 17.942 -12.079 1.00 0.00 H new ATOM 0 HA PHE A 72 19.350 18.079 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 72 20.760 17.253 -11.129 1.00 0.00 H new ATOM 0 HB3 PHE A 72 20.616 18.742 -12.043 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.193 17.158 -9.072 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.000 20.627 -11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.238 18.069 -7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.049 21.534 -10.540 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.158 20.261 -8.713 1.00 0.00 H new ATOM 1086 N GLN A 73 19.216 21.123 -10.644 1.00 0.00 N ATOM 1087 CA GLN A 73 19.028 22.521 -10.205 1.00 0.00 C ATOM 1088 C GLN A 73 17.637 22.809 -9.617 1.00 0.00 C ATOM 1089 O GLN A 73 17.532 23.581 -8.665 1.00 0.00 O ATOM 1090 CB GLN A 73 19.334 23.483 -11.360 1.00 0.00 C ATOM 1091 CG GLN A 73 20.853 23.693 -11.474 1.00 0.00 C ATOM 1092 CD GLN A 73 21.266 24.048 -12.895 1.00 0.00 C ATOM 1093 OE1 GLN A 73 21.651 25.165 -13.212 1.00 0.00 O ATOM 1094 NE2 GLN A 73 21.199 23.096 -13.798 1.00 0.00 N ATOM 0 H GLN A 73 19.323 21.007 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 73 19.734 22.682 -9.390 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.942 23.081 -12.294 1.00 0.00 H new ATOM 0 HB3 GLN A 73 18.837 24.438 -11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 73 21.163 24.488 -10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 73 21.370 22.786 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 73 20.878 22.164 -13.534 1.00 0.00 H new ATOM 0 HE22 GLN A 73 21.468 23.288 -14.763 1.00 0.00 H new ATOM 1103 N GLY A 74 16.574 22.162 -10.112 1.00 0.00 N ATOM 1104 CA GLY A 74 15.221 22.298 -9.562 1.00 0.00 C ATOM 1105 C GLY A 74 15.142 21.881 -8.092 1.00 0.00 C ATOM 1106 O GLY A 74 14.647 22.636 -7.259 1.00 0.00 O ATOM 0 H GLY A 74 16.630 21.527 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.894 23.333 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.532 21.689 -10.147 1.00 0.00 H new ATOM 1110 N ILE A 75 15.692 20.720 -7.732 1.00 0.00 N ATOM 1111 CA ILE A 75 15.780 20.264 -6.341 1.00 0.00 C ATOM 1112 C ILE A 75 16.681 21.204 -5.520 1.00 0.00 C ATOM 1113 O ILE A 75 16.348 21.547 -4.381 1.00 0.00 O ATOM 1114 CB ILE A 75 16.290 18.807 -6.358 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.221 17.830 -6.894 1.00 0.00 C ATOM 1116 CG2 ILE A 75 16.811 18.345 -4.981 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.736 16.411 -7.147 1.00 0.00 C ATOM 0 H ILE A 75 16.093 20.063 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 75 14.805 20.289 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 75 17.136 18.793 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.398 17.784 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 75 14.815 18.228 -7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.157 17.314 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.637 18.985 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.007 18.409 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 75 14.922 15.790 -7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.539 16.441 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.114 15.990 -6.216 1.00 0.00 H new ATOM 1129 N LYS A 76 17.808 21.655 -6.094 1.00 0.00 N ATOM 1130 CA LYS A 76 18.769 22.561 -5.436 1.00 0.00 C ATOM 1131 C LYS A 76 18.175 23.925 -5.051 1.00 0.00 C ATOM 1132 O LYS A 76 18.498 24.446 -3.985 1.00 0.00 O ATOM 1133 CB LYS A 76 20.009 22.741 -6.335 1.00 0.00 C ATOM 1134 CG LYS A 76 21.235 23.246 -5.558 1.00 0.00 C ATOM 1135 CD LYS A 76 22.511 23.261 -6.420 1.00 0.00 C ATOM 1136 CE LYS A 76 22.528 24.341 -7.517 1.00 0.00 C ATOM 1137 NZ LYS A 76 22.724 25.713 -6.964 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.083 21.398 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 76 19.052 22.089 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.251 21.790 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.775 23.445 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.038 24.252 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.396 22.612 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.372 23.409 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.630 22.284 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.326 24.121 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.590 24.306 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.728 26.403 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.950 25.936 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.631 25.757 -6.458 1.00 0.00 H new ATOM 1151 N ASP A 77 17.294 24.481 -5.886 1.00 0.00 N ATOM 1152 CA ASP A 77 16.805 25.867 -5.769 1.00 0.00 C ATOM 1153 C ASP A 77 15.312 26.007 -5.404 1.00 0.00 C ATOM 1154 O ASP A 77 14.926 27.022 -4.819 1.00 0.00 O ATOM 1155 CB ASP A 77 17.117 26.590 -7.087 1.00 0.00 C ATOM 1156 CG ASP A 77 16.902 28.109 -6.992 1.00 0.00 C ATOM 1157 OD1 ASP A 77 17.647 28.776 -6.235 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 16.020 28.651 -7.703 1.00 0.00 O ATOM 0 H ASP A 77 16.891 23.978 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 77 17.325 26.322 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.150 26.390 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.485 26.186 -7.878 1.00 0.00 H new ATOM 1163 N SER A 78 14.483 24.989 -5.673 1.00 0.00 N ATOM 1164 CA SER A 78 13.018 25.020 -5.452 1.00 0.00 C ATOM 1165 C SER A 78 12.530 24.059 -4.353 1.00 0.00 C ATOM 1166 O SER A 78 11.334 24.033 -4.058 1.00 0.00 O ATOM 1167 CB SER A 78 12.252 24.770 -6.764 1.00 0.00 C ATOM 1168 OG SER A 78 12.654 25.682 -7.778 1.00 0.00 O ATOM 0 H SER A 78 14.810 24.103 -6.057 1.00 0.00 H new ATOM 0 HA SER A 78 12.801 26.026 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.427 23.748 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.181 24.869 -6.587 1.00 0.00 H new ATOM 0 HG SER A 78 12.153 25.499 -8.600 1.00 0.00 H new ATOM 1174 N LEU A 79 13.438 23.309 -3.705 1.00 0.00 N ATOM 1175 CA LEU A 79 13.160 22.510 -2.495 1.00 0.00 C ATOM 1176 C LEU A 79 14.183 22.799 -1.384 1.00 0.00 C ATOM 1177 O LEU A 79 13.786 23.097 -0.258 1.00 0.00 O ATOM 1178 CB LEU A 79 13.109 21.010 -2.842 1.00 0.00 C ATOM 1179 CG LEU A 79 11.918 20.585 -3.724 1.00 0.00 C ATOM 1180 CD1 LEU A 79 12.032 19.103 -4.070 1.00 0.00 C ATOM 1181 CD2 LEU A 79 10.567 20.777 -3.032 1.00 0.00 C ATOM 0 H LEU A 79 14.408 23.239 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 79 12.182 22.801 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.034 20.739 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.077 20.439 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 79 11.958 21.218 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.188 18.809 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.961 18.926 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.029 18.514 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.767 20.461 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.536 20.178 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.434 21.829 -2.779 1.00 0.00 H new ATOM 1193 N GLY A 80 15.485 22.761 -1.695 1.00 0.00 N ATOM 1194 CA GLY A 80 16.583 23.221 -0.823 1.00 0.00 C ATOM 1195 C GLY A 80 16.892 22.416 0.456 1.00 0.00 C ATOM 1196 O GLY A 80 18.018 22.495 0.949 1.00 0.00 O ATOM 0 H GLY A 80 15.818 22.398 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.492 23.252 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.363 24.246 -0.525 1.00 0.00 H new ATOM 1200 N PHE A 81 15.945 21.640 0.992 1.00 0.00 N ATOM 1201 CA PHE A 81 16.096 20.837 2.215 1.00 0.00 C ATOM 1202 C PHE A 81 15.144 19.624 2.191 1.00 0.00 C ATOM 1203 O PHE A 81 14.003 19.740 1.736 1.00 0.00 O ATOM 1204 CB PHE A 81 15.818 21.748 3.424 1.00 0.00 C ATOM 1205 CG PHE A 81 16.167 21.174 4.783 1.00 0.00 C ATOM 1206 CD1 PHE A 81 17.454 20.655 5.032 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.228 21.234 5.832 1.00 0.00 C ATOM 1208 CE1 PHE A 81 17.787 20.175 6.312 1.00 0.00 C ATOM 1209 CE2 PHE A 81 15.568 20.770 7.115 1.00 0.00 C ATOM 1210 CZ PHE A 81 16.845 20.232 7.355 1.00 0.00 C ATOM 0 H PHE A 81 15.019 21.549 0.574 1.00 0.00 H new ATOM 0 HA PHE A 81 17.109 20.442 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 81 16.374 22.676 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.759 22.008 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.186 20.626 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.243 21.638 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.768 19.762 6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 81 14.847 20.827 7.917 1.00 0.00 H new ATOM 0 HZ PHE A 81 17.102 19.864 8.337 1.00 0.00 H new ATOM 1220 N GLN A 82 15.601 18.448 2.646 1.00 0.00 N ATOM 1221 CA GLN A 82 14.884 17.170 2.479 1.00 0.00 C ATOM 1222 C GLN A 82 15.232 16.100 3.561 1.00 0.00 C ATOM 1223 O GLN A 82 15.445 14.934 3.219 1.00 0.00 O ATOM 1224 CB GLN A 82 15.178 16.668 1.039 1.00 0.00 C ATOM 1225 CG GLN A 82 13.966 16.008 0.373 1.00 0.00 C ATOM 1226 CD GLN A 82 13.220 16.888 -0.623 1.00 0.00 C ATOM 1227 OE1 GLN A 82 12.945 16.473 -1.739 1.00 0.00 O ATOM 1228 NE2 GLN A 82 12.831 18.096 -0.281 1.00 0.00 N ATOM 0 H GLN A 82 16.486 18.354 3.145 1.00 0.00 H new ATOM 0 HA GLN A 82 13.817 17.339 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.508 17.508 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.001 15.954 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.299 15.106 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.269 15.694 1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.051 18.459 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.309 18.670 -0.943 1.00 0.00 H new ATOM 1237 N PRO A 83 15.277 16.436 4.870 1.00 0.00 N ATOM 1238 CA PRO A 83 15.810 15.570 5.938 1.00 0.00 C ATOM 1239 C PRO A 83 15.129 14.200 6.129 1.00 0.00 C ATOM 1240 O PRO A 83 15.732 13.285 6.690 1.00 0.00 O ATOM 1241 CB PRO A 83 15.709 16.404 7.222 1.00 0.00 C ATOM 1242 CG PRO A 83 14.544 17.347 6.936 1.00 0.00 C ATOM 1243 CD PRO A 83 14.742 17.659 5.455 1.00 0.00 C ATOM 0 HA PRO A 83 16.826 15.287 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.516 15.779 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.631 16.951 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.581 16.875 7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.586 18.246 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.800 17.941 4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.430 18.494 5.318 1.00 0.00 H new ATOM 1251 N ASN A 84 13.885 14.049 5.667 1.00 0.00 N ATOM 1252 CA ASN A 84 13.059 12.844 5.829 1.00 0.00 C ATOM 1253 C ASN A 84 12.900 12.017 4.534 1.00 0.00 C ATOM 1254 O ASN A 84 12.265 10.958 4.549 1.00 0.00 O ATOM 1255 CB ASN A 84 11.708 13.265 6.443 1.00 0.00 C ATOM 1256 CG ASN A 84 10.898 14.258 5.614 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.279 14.698 4.538 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.765 14.687 6.120 1.00 0.00 N ATOM 0 H ASN A 84 13.406 14.787 5.151 1.00 0.00 H new ATOM 0 HA ASN A 84 13.571 12.159 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.105 12.371 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.894 13.702 7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.212 15.380 5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.438 14.327 7.016 1.00 0.00 H new ATOM 1265 N LEU A 85 13.492 12.461 3.418 1.00 0.00 N ATOM 1266 CA LEU A 85 13.541 11.706 2.164 1.00 0.00 C ATOM 1267 C LEU A 85 14.576 10.572 2.265 1.00 0.00 C ATOM 1268 O LEU A 85 15.678 10.774 2.775 1.00 0.00 O ATOM 1269 CB LEU A 85 13.810 12.710 1.032 1.00 0.00 C ATOM 1270 CG LEU A 85 13.792 12.225 -0.431 1.00 0.00 C ATOM 1271 CD1 LEU A 85 15.136 11.627 -0.845 1.00 0.00 C ATOM 1272 CD2 LEU A 85 12.653 11.250 -0.739 1.00 0.00 C ATOM 0 H LEU A 85 13.956 13.368 3.362 1.00 0.00 H new ATOM 0 HA LEU A 85 12.597 11.205 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.073 13.508 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.787 13.157 1.216 1.00 0.00 H new ATOM 0 HG LEU A 85 13.608 13.118 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.083 11.297 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.916 12.381 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.368 10.776 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.703 10.951 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.747 10.368 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.696 11.735 -0.545 1.00 0.00 H new ATOM 1284 N ARG A 86 14.227 9.378 1.769 1.00 0.00 N ATOM 1285 CA ARG A 86 15.029 8.144 1.801 1.00 0.00 C ATOM 1286 C ARG A 86 15.070 7.525 0.404 1.00 0.00 C ATOM 1287 O ARG A 86 14.034 7.435 -0.258 1.00 0.00 O ATOM 1288 CB ARG A 86 14.401 7.149 2.790 1.00 0.00 C ATOM 1289 CG ARG A 86 14.462 7.620 4.255 1.00 0.00 C ATOM 1290 CD ARG A 86 13.250 7.131 5.065 1.00 0.00 C ATOM 1291 NE ARG A 86 11.982 7.645 4.496 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.756 7.236 4.766 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.503 6.427 5.754 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.761 7.638 4.029 1.00 0.00 N ATOM 0 H ARG A 86 13.328 9.237 1.309 1.00 0.00 H new ATOM 0 HA ARG A 86 16.044 8.378 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.360 6.981 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.912 6.190 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.379 7.253 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.503 8.709 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.232 6.041 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.346 7.458 6.101 1.00 0.00 H new ATOM 0 HE ARG A 86 12.066 8.402 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.263 6.091 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.545 6.129 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.929 8.268 3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.813 7.323 4.236 1.00 0.00 H new ATOM 1308 N TYR A 87 16.257 7.126 -0.047 1.00 0.00 N ATOM 1309 CA TYR A 87 16.461 6.703 -1.437 1.00 0.00 C ATOM 1310 C TYR A 87 17.594 5.687 -1.639 1.00 0.00 C ATOM 1311 O TYR A 87 18.131 5.123 -0.681 1.00 0.00 O ATOM 1312 CB TYR A 87 16.625 7.971 -2.301 1.00 0.00 C ATOM 1313 CG TYR A 87 17.942 8.694 -2.176 1.00 0.00 C ATOM 1314 CD1 TYR A 87 18.164 9.566 -1.096 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.941 8.494 -3.144 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.407 10.201 -0.948 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.195 9.113 -2.989 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.432 9.952 -1.880 1.00 0.00 C ATOM 1319 OH TYR A 87 21.656 10.482 -1.659 1.00 0.00 O ATOM 0 H TYR A 87 17.097 7.086 0.530 1.00 0.00 H new ATOM 0 HA TYR A 87 15.581 6.144 -1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.483 7.695 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.826 8.667 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.377 9.748 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.747 7.868 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.576 10.877 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.975 8.946 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 87 22.255 10.241 -2.396 1.00 0.00 H new ATOM 1329 N GLY A 88 17.924 5.431 -2.905 1.00 0.00 N ATOM 1330 CA GLY A 88 19.083 4.661 -3.347 1.00 0.00 C ATOM 1331 C GLY A 88 19.521 5.125 -4.739 1.00 0.00 C ATOM 1332 O GLY A 88 18.788 5.838 -5.429 1.00 0.00 O ATOM 0 H GLY A 88 17.363 5.772 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.903 4.784 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.837 3.599 -3.369 1.00 0.00 H new ATOM 1336 N VAL A 89 20.731 4.745 -5.146 1.00 0.00 N ATOM 1337 CA VAL A 89 21.385 5.284 -6.349 1.00 0.00 C ATOM 1338 C VAL A 89 22.037 4.196 -7.186 1.00 0.00 C ATOM 1339 O VAL A 89 22.800 3.362 -6.698 1.00 0.00 O ATOM 1340 CB VAL A 89 22.456 6.353 -6.015 1.00 0.00 C ATOM 1341 CG1 VAL A 89 21.904 7.767 -6.200 1.00 0.00 C ATOM 1342 CG2 VAL A 89 23.047 6.244 -4.604 1.00 0.00 C ATOM 0 H VAL A 89 21.292 4.051 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 89 20.583 5.750 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 89 23.263 6.155 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.679 8.495 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 89 21.590 7.902 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 89 21.050 7.913 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 89 23.787 7.031 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 89 22.251 6.353 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 89 23.523 5.271 -4.483 1.00 0.00 H new ATOM 1352 N ILE A 90 21.803 4.291 -8.485 1.00 0.00 N ATOM 1353 CA ILE A 90 22.470 3.516 -9.520 1.00 0.00 C ATOM 1354 C ILE A 90 23.134 4.531 -10.454 1.00 0.00 C ATOM 1355 O ILE A 90 22.500 5.483 -10.918 1.00 0.00 O ATOM 1356 CB ILE A 90 21.441 2.632 -10.248 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.832 1.584 -9.284 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.120 1.967 -11.457 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.710 0.746 -9.901 1.00 0.00 C ATOM 0 H ILE A 90 21.112 4.939 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 90 23.224 2.840 -9.116 1.00 0.00 H new ATOM 0 HB ILE A 90 20.615 3.248 -10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.624 0.917 -8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.446 2.097 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.399 1.338 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.489 2.736 -12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.954 1.354 -11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.337 0.037 -9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 90 18.898 1.401 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.094 0.203 -10.764 1.00 0.00 H new ATOM 1371 N ALA A 91 24.415 4.331 -10.740 1.00 0.00 N ATOM 1372 CA ALA A 91 25.174 5.185 -11.636 1.00 0.00 C ATOM 1373 C ALA A 91 26.058 4.365 -12.583 1.00 0.00 C ATOM 1374 O ALA A 91 26.435 3.228 -12.285 1.00 0.00 O ATOM 1375 CB ALA A 91 25.974 6.187 -10.800 1.00 0.00 C ATOM 0 H ALA A 91 24.959 3.561 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 91 24.492 5.739 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.549 6.835 -11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.290 6.791 -10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.653 5.649 -10.139 1.00 0.00 H new ATOM 1381 N LEU A 92 26.378 4.947 -13.739 1.00 0.00 N ATOM 1382 CA LEU A 92 27.241 4.300 -14.724 1.00 0.00 C ATOM 1383 C LEU A 92 28.075 5.273 -15.551 1.00 0.00 C ATOM 1384 O LEU A 92 27.858 6.489 -15.563 1.00 0.00 O ATOM 1385 CB LEU A 92 26.411 3.337 -15.606 1.00 0.00 C ATOM 1386 CG LEU A 92 25.367 3.909 -16.584 1.00 0.00 C ATOM 1387 CD1 LEU A 92 25.977 4.461 -17.879 1.00 0.00 C ATOM 1388 CD2 LEU A 92 24.436 2.769 -17.005 1.00 0.00 C ATOM 0 H LEU A 92 26.049 5.872 -14.016 1.00 0.00 H new ATOM 0 HA LEU A 92 27.977 3.719 -14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 92 27.114 2.743 -16.190 1.00 0.00 H new ATOM 0 HB3 LEU A 92 25.891 2.650 -14.938 1.00 0.00 H new ATOM 0 HG LEU A 92 24.864 4.723 -16.062 1.00 0.00 H new ATOM 0 HD11 LEU A 92 25.184 4.847 -18.519 1.00 0.00 H new ATOM 0 HD12 LEU A 92 26.673 5.265 -17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 92 26.508 3.664 -18.400 1.00 0.00 H new ATOM 0 HD21 LEU A 92 23.686 3.149 -17.699 1.00 0.00 H new ATOM 0 HD22 LEU A 92 25.017 1.986 -17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 23.941 2.360 -16.124 1.00 0.00 H new ATOM 1400 N GLY A 93 29.005 4.684 -16.284 1.00 0.00 N ATOM 1401 CA GLY A 93 29.778 5.348 -17.313 1.00 0.00 C ATOM 1402 C GLY A 93 30.908 4.444 -17.806 1.00 0.00 C ATOM 1403 O GLY A 93 30.658 3.299 -18.180 1.00 0.00 O ATOM 0 H GLY A 93 29.248 3.700 -16.174 1.00 0.00 H new ATOM 0 HA2 GLY A 93 29.129 5.616 -18.147 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.193 6.277 -16.921 1.00 0.00 H new ATOM 1407 N ASP A 94 32.150 4.928 -17.783 1.00 0.00 N ATOM 1408 CA ASP A 94 33.344 4.157 -18.143 1.00 0.00 C ATOM 1409 C ASP A 94 34.551 4.492 -17.243 1.00 0.00 C ATOM 1410 O ASP A 94 34.906 5.657 -17.046 1.00 0.00 O ATOM 1411 CB ASP A 94 33.666 4.379 -19.621 1.00 0.00 C ATOM 1412 CG ASP A 94 34.735 3.386 -20.093 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.918 3.572 -19.730 1.00 0.00 O1- ATOM 1414 OD2 ASP A 94 34.394 2.431 -20.830 1.00 0.00 O ATOM 0 H ASP A 94 32.360 5.887 -17.508 1.00 0.00 H new ATOM 0 HA ASP A 94 33.131 3.101 -17.979 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.762 4.260 -20.218 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.017 5.400 -19.774 1.00 0.00 H new ATOM 1419 N SER A 95 35.175 3.457 -16.679 1.00 0.00 N ATOM 1420 CA SER A 95 36.271 3.544 -15.698 1.00 0.00 C ATOM 1421 C SER A 95 37.589 4.124 -16.247 1.00 0.00 C ATOM 1422 O SER A 95 38.480 4.484 -15.472 1.00 0.00 O ATOM 1423 CB SER A 95 36.495 2.154 -15.094 1.00 0.00 C ATOM 1424 OG SER A 95 37.292 2.203 -13.924 1.00 0.00 O ATOM 0 H SER A 95 34.924 2.493 -16.899 1.00 0.00 H new ATOM 0 HA SER A 95 35.959 4.259 -14.937 1.00 0.00 H new ATOM 0 HB2 SER A 95 35.532 1.703 -14.857 1.00 0.00 H new ATOM 0 HB3 SER A 95 36.975 1.512 -15.832 1.00 0.00 H new ATOM 0 HG SER A 95 37.963 2.912 -14.015 1.00 0.00 H new ATOM 1430 N SER A 96 37.730 4.266 -17.570 1.00 0.00 N ATOM 1431 CA SER A 96 38.897 4.920 -18.193 1.00 0.00 C ATOM 1432 C SER A 96 39.018 6.426 -17.880 1.00 0.00 C ATOM 1433 O SER A 96 40.096 7.000 -18.056 1.00 0.00 O ATOM 1434 CB SER A 96 38.916 4.701 -19.711 1.00 0.00 C ATOM 1435 OG SER A 96 37.761 5.229 -20.332 1.00 0.00 O ATOM 0 H SER A 96 37.040 3.932 -18.243 1.00 0.00 H new ATOM 0 HA SER A 96 39.764 4.437 -17.742 1.00 0.00 H new ATOM 0 HB2 SER A 96 39.804 5.171 -20.135 1.00 0.00 H new ATOM 0 HB3 SER A 96 38.988 3.634 -19.924 1.00 0.00 H new ATOM 0 HG SER A 96 37.090 4.521 -20.430 1.00 0.00 H new ATOM 1441 N TYR A 97 37.949 7.060 -17.382 1.00 0.00 N ATOM 1442 CA TYR A 97 37.928 8.466 -16.961 1.00 0.00 C ATOM 1443 C TYR A 97 38.154 8.626 -15.444 1.00 0.00 C ATOM 1444 O TYR A 97 37.710 7.801 -14.641 1.00 0.00 O ATOM 1445 CB TYR A 97 36.569 9.072 -17.328 1.00 0.00 C ATOM 1446 CG TYR A 97 36.272 9.171 -18.815 1.00 0.00 C ATOM 1447 CD1 TYR A 97 36.662 10.324 -19.528 1.00 0.00 C ATOM 1448 CD2 TYR A 97 35.573 8.140 -19.475 1.00 0.00 C ATOM 1449 CE1 TYR A 97 36.347 10.447 -20.895 1.00 0.00 C ATOM 1450 CE2 TYR A 97 35.254 8.261 -20.842 1.00 0.00 C ATOM 1451 CZ TYR A 97 35.640 9.420 -21.555 1.00 0.00 C ATOM 1452 OH TYR A 97 35.328 9.552 -22.873 1.00 0.00 O ATOM 0 H TYR A 97 37.049 6.596 -17.257 1.00 0.00 H new ATOM 0 HA TYR A 97 38.741 8.980 -17.474 1.00 0.00 H new ATOM 0 HB2 TYR A 97 35.787 8.475 -16.859 1.00 0.00 H new ATOM 0 HB3 TYR A 97 36.509 10.071 -16.897 1.00 0.00 H new ATOM 0 HD1 TYR A 97 37.202 11.113 -19.025 1.00 0.00 H new ATOM 0 HD2 TYR A 97 35.281 7.254 -18.931 1.00 0.00 H new ATOM 0 HE1 TYR A 97 36.647 11.330 -21.440 1.00 0.00 H new ATOM 0 HE2 TYR A 97 34.716 7.471 -21.344 1.00 0.00 H new ATOM 0 HH TYR A 97 34.842 8.757 -23.175 1.00 0.00 H new ATOM 1462 N VAL A 98 38.776 9.742 -15.035 1.00 0.00 N ATOM 1463 CA VAL A 98 38.998 10.085 -13.610 1.00 0.00 C ATOM 1464 C VAL A 98 37.671 10.356 -12.880 1.00 0.00 C ATOM 1465 O VAL A 98 37.475 9.907 -11.751 1.00 0.00 O ATOM 1466 CB VAL A 98 39.950 11.296 -13.480 1.00 0.00 C ATOM 1467 CG1 VAL A 98 40.221 11.677 -12.017 1.00 0.00 C ATOM 1468 CG2 VAL A 98 41.310 11.005 -14.134 1.00 0.00 C ATOM 0 H VAL A 98 39.143 10.440 -15.682 1.00 0.00 H new ATOM 0 HA VAL A 98 39.467 9.224 -13.134 1.00 0.00 H new ATOM 0 HB VAL A 98 39.444 12.120 -13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 98 40.895 12.533 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 98 39.282 11.935 -11.528 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.679 10.834 -11.500 1.00 0.00 H new ATOM 0 HG21 VAL A 98 41.959 11.874 -14.027 1.00 0.00 H new ATOM 0 HG22 VAL A 98 41.771 10.146 -13.647 1.00 0.00 H new ATOM 0 HG23 VAL A 98 41.166 10.788 -15.192 1.00 0.00 H new ATOM 1478 N ASN A 99 36.716 11.017 -13.548 1.00 0.00 N ATOM 1479 CA ASN A 99 35.341 11.248 -13.071 1.00 0.00 C ATOM 1480 C ASN A 99 34.449 9.991 -13.181 1.00 0.00 C ATOM 1481 O ASN A 99 33.301 10.080 -13.618 1.00 0.00 O ATOM 1482 CB ASN A 99 34.747 12.468 -13.822 1.00 0.00 C ATOM 1483 CG ASN A 99 35.169 13.806 -13.223 1.00 0.00 C ATOM 1484 OD1 ASN A 99 35.153 14.006 -12.018 1.00 0.00 O ATOM 1485 ND2 ASN A 99 35.570 14.758 -14.038 1.00 0.00 N ATOM 0 H ASN A 99 36.883 11.421 -14.469 1.00 0.00 H new ATOM 0 HA ASN A 99 35.374 11.471 -12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 99 35.058 12.430 -14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 99 33.659 12.399 -13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 99 35.866 15.659 -13.663 1.00 0.00 H new ATOM 0 HD22 ASN A 99 35.585 14.595 -15.045 1.00 0.00 H new ATOM 1492 N PHE A 100 34.947 8.794 -12.854 1.00 0.00 N ATOM 1493 CA PHE A 100 34.153 7.559 -12.938 1.00 0.00 C ATOM 1494 C PHE A 100 32.818 7.687 -12.185 1.00 0.00 C ATOM 1495 O PHE A 100 32.787 7.915 -10.974 1.00 0.00 O ATOM 1496 CB PHE A 100 34.951 6.337 -12.468 1.00 0.00 C ATOM 1497 CG PHE A 100 34.161 5.045 -12.592 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.599 4.679 -13.831 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.960 4.218 -11.471 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.849 3.498 -13.956 1.00 0.00 C ATOM 1501 CE2 PHE A 100 33.199 3.041 -11.589 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.643 2.681 -12.830 1.00 0.00 C ATOM 0 H PHE A 100 35.902 8.652 -12.526 1.00 0.00 H new ATOM 0 HA PHE A 100 33.916 7.404 -13.990 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.867 6.257 -13.054 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.249 6.479 -11.429 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.746 5.313 -14.693 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.391 4.488 -10.518 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.432 3.219 -14.912 1.00 0.00 H new ATOM 0 HE2 PHE A 100 33.041 2.412 -10.725 1.00 0.00 H new ATOM 0 HZ PHE A 100 32.058 1.777 -12.918 1.00 0.00 H new ATOM 1512 N CYS A 101 31.716 7.583 -12.931 1.00 0.00 N ATOM 1513 CA CYS A 101 30.335 7.838 -12.506 1.00 0.00 C ATOM 1514 C CYS A 101 30.047 9.189 -11.812 1.00 0.00 C ATOM 1515 O CYS A 101 29.069 9.301 -11.072 1.00 0.00 O ATOM 1516 CB CYS A 101 29.828 6.638 -11.686 1.00 0.00 C ATOM 1517 SG CYS A 101 29.959 5.077 -12.607 1.00 0.00 S ATOM 0 H CYS A 101 31.766 7.301 -13.910 1.00 0.00 H new ATOM 0 HA CYS A 101 29.767 7.944 -13.430 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.401 6.563 -10.762 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.789 6.806 -11.403 1.00 0.00 H new ATOM 0 HG CYS A 101 31.210 4.819 -12.848 1.00 0.00 H new ATOM 1523 N ASN A 102 30.848 10.235 -12.046 1.00 0.00 N ATOM 1524 CA ASN A 102 30.649 11.546 -11.410 1.00 0.00 C ATOM 1525 C ASN A 102 29.249 12.139 -11.660 1.00 0.00 C ATOM 1526 O ASN A 102 28.671 12.741 -10.758 1.00 0.00 O ATOM 1527 CB ASN A 102 31.749 12.509 -11.870 1.00 0.00 C ATOM 1528 CG ASN A 102 31.730 13.832 -11.111 1.00 0.00 C ATOM 1529 OD1 ASN A 102 31.675 13.872 -9.891 1.00 0.00 O ATOM 1530 ND2 ASN A 102 31.792 14.948 -11.798 1.00 0.00 N ATOM 0 H ASN A 102 31.648 10.199 -12.677 1.00 0.00 H new ATOM 0 HA ASN A 102 30.716 11.399 -10.332 1.00 0.00 H new ATOM 0 HB2 ASN A 102 32.721 12.033 -11.738 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.632 12.705 -12.936 1.00 0.00 H new ATOM 0 HD21 ASN A 102 31.794 15.846 -11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 102 31.838 14.918 -12.817 1.00 0.00 H new ATOM 1537 N GLY A 103 28.659 11.883 -12.834 1.00 0.00 N ATOM 1538 CA GLY A 103 27.307 12.324 -13.184 1.00 0.00 C ATOM 1539 C GLY A 103 26.228 11.820 -12.215 1.00 0.00 C ATOM 1540 O GLY A 103 25.289 12.547 -11.900 1.00 0.00 O ATOM 0 H GLY A 103 29.116 11.355 -13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.283 13.414 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.070 11.979 -14.190 1.00 0.00 H new ATOM 1544 N GLY A 104 26.389 10.608 -11.664 1.00 0.00 N ATOM 1545 CA GLY A 104 25.528 10.082 -10.595 1.00 0.00 C ATOM 1546 C GLY A 104 25.927 10.586 -9.205 1.00 0.00 C ATOM 1547 O GLY A 104 25.062 10.975 -8.423 1.00 0.00 O ATOM 0 H GLY A 104 27.125 9.962 -11.949 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.495 10.365 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.568 8.993 -10.606 1.00 0.00 H new ATOM 1551 N LYS A 105 27.232 10.670 -8.910 1.00 0.00 N ATOM 1552 CA LYS A 105 27.764 11.207 -7.635 1.00 0.00 C ATOM 1553 C LYS A 105 27.348 12.657 -7.369 1.00 0.00 C ATOM 1554 O LYS A 105 27.019 12.991 -6.236 1.00 0.00 O ATOM 1555 CB LYS A 105 29.294 11.039 -7.594 1.00 0.00 C ATOM 1556 CG LYS A 105 29.700 9.554 -7.555 1.00 0.00 C ATOM 1557 CD LYS A 105 31.206 9.376 -7.794 1.00 0.00 C ATOM 1558 CE LYS A 105 31.594 7.894 -7.681 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.006 7.666 -8.102 1.00 0.00 N1+ ATOM 0 H LYS A 105 27.962 10.365 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 105 27.320 10.625 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.737 11.515 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.693 11.549 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.431 9.127 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.143 9.003 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.471 9.754 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.768 9.962 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.461 7.559 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 105 30.927 7.294 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.311 6.720 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.075 7.734 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.619 8.385 -7.666 1.00 0.00 H new ATOM 1573 N GLN A 106 27.253 13.491 -8.407 1.00 0.00 N ATOM 1574 CA GLN A 106 26.688 14.847 -8.330 1.00 0.00 C ATOM 1575 C GLN A 106 25.222 14.841 -7.862 1.00 0.00 C ATOM 1576 O GLN A 106 24.842 15.650 -7.016 1.00 0.00 O ATOM 1577 CB GLN A 106 26.812 15.523 -9.706 1.00 0.00 C ATOM 1578 CG GLN A 106 28.256 15.939 -10.030 1.00 0.00 C ATOM 1579 CD GLN A 106 28.408 16.346 -11.497 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.597 15.526 -12.383 1.00 0.00 O ATOM 1581 NE2 GLN A 106 28.325 17.616 -11.818 1.00 0.00 N ATOM 0 H GLN A 106 27.571 13.242 -9.343 1.00 0.00 H new ATOM 0 HA GLN A 106 27.252 15.409 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.453 14.840 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.169 16.403 -9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.549 16.770 -9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 106 28.932 15.113 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 106 28.168 18.316 -11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 106 28.418 17.903 -12.792 1.00 0.00 H new ATOM 1590 N PHE A 107 24.399 13.908 -8.355 1.00 0.00 N ATOM 1591 CA PHE A 107 22.999 13.784 -7.930 1.00 0.00 C ATOM 1592 C PHE A 107 22.855 13.135 -6.536 1.00 0.00 C ATOM 1593 O PHE A 107 21.933 13.455 -5.794 1.00 0.00 O ATOM 1594 CB PHE A 107 22.193 13.041 -9.005 1.00 0.00 C ATOM 1595 CG PHE A 107 20.724 13.425 -8.999 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.850 12.863 -8.054 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.243 14.390 -9.905 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.494 13.227 -8.034 1.00 0.00 C ATOM 1599 CE2 PHE A 107 18.889 14.770 -9.875 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.013 14.175 -8.950 1.00 0.00 C ATOM 0 H PHE A 107 24.682 13.222 -9.055 1.00 0.00 H new ATOM 0 HA PHE A 107 22.588 14.788 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.617 13.256 -9.986 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.285 11.967 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.223 12.146 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.914 14.838 -10.623 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.823 12.779 -7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.522 15.518 -10.562 1.00 0.00 H new ATOM 0 HZ PHE A 107 16.968 14.448 -8.944 1.00 0.00 H new ATOM 1610 N ASP A 108 23.777 12.264 -6.120 1.00 0.00 N ATOM 1611 CA ASP A 108 23.822 11.780 -4.730 1.00 0.00 C ATOM 1612 C ASP A 108 24.201 12.916 -3.752 1.00 0.00 C ATOM 1613 O ASP A 108 23.547 13.120 -2.726 1.00 0.00 O ATOM 1614 CB ASP A 108 24.797 10.604 -4.646 1.00 0.00 C ATOM 1615 CG ASP A 108 24.676 9.842 -3.320 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.558 9.373 -3.002 1.00 0.00 O ATOM 1617 OD2 ASP A 108 25.704 9.654 -2.628 1.00 0.00 O1- ATOM 0 H ASP A 108 24.504 11.877 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 108 22.831 11.437 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.610 9.920 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.817 10.971 -4.760 1.00 0.00 H new ATOM 1622 N ALA A 109 25.202 13.728 -4.114 1.00 0.00 N ATOM 1623 CA ALA A 109 25.589 14.932 -3.378 1.00 0.00 C ATOM 1624 C ALA A 109 24.452 15.973 -3.273 1.00 0.00 C ATOM 1625 O ALA A 109 24.264 16.537 -2.194 1.00 0.00 O ATOM 1626 CB ALA A 109 26.843 15.530 -4.027 1.00 0.00 C ATOM 0 H ALA A 109 25.774 13.561 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 109 25.808 14.643 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.140 16.428 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.653 14.801 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.629 15.786 -5.065 1.00 0.00 H new ATOM 1632 N LEU A 110 23.649 16.177 -4.330 1.00 0.00 N ATOM 1633 CA LEU A 110 22.432 17.015 -4.336 1.00 0.00 C ATOM 1634 C LEU A 110 21.486 16.709 -3.160 1.00 0.00 C ATOM 1635 O LEU A 110 20.766 17.595 -2.700 1.00 0.00 O ATOM 1636 CB LEU A 110 21.683 16.787 -5.664 1.00 0.00 C ATOM 1637 CG LEU A 110 20.396 17.597 -5.915 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.714 19.045 -6.271 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.599 16.929 -7.038 1.00 0.00 C ATOM 0 H LEU A 110 23.833 15.749 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 110 22.746 18.053 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.375 16.999 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.430 15.729 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 110 19.802 17.611 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.786 19.590 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.262 19.509 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.323 19.072 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.686 17.495 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.201 16.904 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.342 15.911 -6.746 1.00 0.00 H new ATOM 1651 N LEU A 111 21.487 15.466 -2.672 1.00 0.00 N ATOM 1652 CA LEU A 111 20.528 14.959 -1.698 1.00 0.00 C ATOM 1653 C LEU A 111 21.135 14.890 -0.288 1.00 0.00 C ATOM 1654 O LEU A 111 20.501 15.359 0.661 1.00 0.00 O ATOM 1655 CB LEU A 111 19.996 13.610 -2.213 1.00 0.00 C ATOM 1656 CG LEU A 111 19.254 13.701 -3.564 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.904 12.297 -4.051 1.00 0.00 C ATOM 1658 CD2 LEU A 111 17.967 14.523 -3.462 1.00 0.00 C ATOM 0 H LEU A 111 22.176 14.768 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 111 19.685 15.643 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.831 12.917 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.321 13.189 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 111 19.920 14.200 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.380 12.363 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.818 11.718 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.263 11.807 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.480 14.559 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.296 14.060 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.207 15.536 -3.139 1.00 0.00 H new ATOM 1670 N GLN A 112 22.382 14.424 -0.122 1.00 0.00 N ATOM 1671 CA GLN A 112 23.081 14.545 1.173 1.00 0.00 C ATOM 1672 C GLN A 112 23.340 16.012 1.577 1.00 0.00 C ATOM 1673 O GLN A 112 23.264 16.336 2.762 1.00 0.00 O ATOM 1674 CB GLN A 112 24.394 13.738 1.196 1.00 0.00 C ATOM 1675 CG GLN A 112 24.248 12.367 1.884 1.00 0.00 C ATOM 1676 CD GLN A 112 23.561 11.332 0.999 1.00 0.00 C ATOM 1677 OE1 GLN A 112 24.189 10.655 0.198 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.262 11.153 1.108 1.00 0.00 N ATOM 0 H GLN A 112 22.924 13.966 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 112 22.406 14.119 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.740 13.590 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.160 14.317 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.235 12.000 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 112 23.678 12.487 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.724 11.710 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 112 21.793 10.457 0.529 1.00 0.00 H new ATOM 1687 N GLU A 113 23.545 16.928 0.621 1.00 0.00 N ATOM 1688 CA GLU A 113 23.606 18.381 0.876 1.00 0.00 C ATOM 1689 C GLU A 113 22.277 18.951 1.426 1.00 0.00 C ATOM 1690 O GLU A 113 22.261 20.005 2.066 1.00 0.00 O ATOM 1691 CB GLU A 113 24.039 19.099 -0.417 1.00 0.00 C ATOM 1692 CG GLU A 113 24.300 20.601 -0.245 1.00 0.00 C ATOM 1693 CD GLU A 113 24.960 21.194 -1.501 1.00 0.00 C ATOM 1694 OE1 GLU A 113 24.230 21.601 -2.438 1.00 0.00 O ATOM 1695 OE2 GLU A 113 26.212 21.269 -1.555 1.00 0.00 O1- ATOM 0 H GLU A 113 23.675 16.683 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 113 24.344 18.559 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 113 24.944 18.625 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.266 18.960 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 113 23.360 21.116 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 113 24.943 20.765 0.620 1.00 0.00 H new ATOM 1702 N GLN A 114 21.172 18.216 1.247 1.00 0.00 N ATOM 1703 CA GLN A 114 19.835 18.531 1.768 1.00 0.00 C ATOM 1704 C GLN A 114 19.429 17.612 2.939 1.00 0.00 C ATOM 1705 O GLN A 114 18.253 17.553 3.301 1.00 0.00 O ATOM 1706 CB GLN A 114 18.825 18.490 0.604 1.00 0.00 C ATOM 1707 CG GLN A 114 19.145 19.561 -0.454 1.00 0.00 C ATOM 1708 CD GLN A 114 18.031 19.783 -1.473 1.00 0.00 C ATOM 1709 OE1 GLN A 114 16.944 19.224 -1.425 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.251 20.672 -2.415 1.00 0.00 N ATOM 0 H GLN A 114 21.186 17.348 0.712 1.00 0.00 H new ATOM 0 HA GLN A 114 19.845 19.536 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.840 17.503 0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.817 18.646 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.354 20.504 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.054 19.274 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.152 21.147 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 114 17.520 20.888 -3.093 1.00 0.00 H new ATOM 1719 N SER A 115 20.392 16.897 3.534 1.00 0.00 N ATOM 1720 CA SER A 115 20.233 15.965 4.663 1.00 0.00 C ATOM 1721 C SER A 115 19.331 14.746 4.388 1.00 0.00 C ATOM 1722 O SER A 115 18.946 14.048 5.330 1.00 0.00 O ATOM 1723 CB SER A 115 19.821 16.715 5.944 1.00 0.00 C ATOM 1724 OG SER A 115 20.785 17.705 6.272 1.00 0.00 O ATOM 0 H SER A 115 21.362 16.955 3.223 1.00 0.00 H new ATOM 0 HA SER A 115 21.221 15.529 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.846 17.181 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.720 16.010 6.769 1.00 0.00 H new ATOM 0 HG SER A 115 20.508 18.174 7.087 1.00 0.00 H new ATOM 1730 N ALA A 116 19.014 14.447 3.120 1.00 0.00 N ATOM 1731 CA ALA A 116 18.334 13.208 2.748 1.00 0.00 C ATOM 1732 C ALA A 116 19.159 11.962 3.122 1.00 0.00 C ATOM 1733 O ALA A 116 20.391 12.008 3.207 1.00 0.00 O ATOM 1734 CB ALA A 116 18.032 13.225 1.251 1.00 0.00 C ATOM 0 H ALA A 116 19.223 15.057 2.330 1.00 0.00 H new ATOM 0 HA ALA A 116 17.401 13.150 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.525 12.302 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.391 14.076 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 116 18.964 13.310 0.693 1.00 0.00 H new ATOM 1740 N GLN A 117 18.481 10.825 3.282 1.00 0.00 N ATOM 1741 CA GLN A 117 19.011 9.588 3.830 1.00 0.00 C ATOM 1742 C GLN A 117 18.977 8.494 2.769 1.00 0.00 C ATOM 1743 O GLN A 117 18.276 8.599 1.764 1.00 0.00 O ATOM 1744 CB GLN A 117 18.185 9.208 5.077 1.00 0.00 C ATOM 1745 CG GLN A 117 18.214 10.289 6.178 1.00 0.00 C ATOM 1746 CD GLN A 117 17.376 9.895 7.395 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.526 8.827 7.976 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.458 10.733 7.834 1.00 0.00 N ATOM 0 H GLN A 117 17.499 10.744 3.018 1.00 0.00 H new ATOM 0 HA GLN A 117 20.051 9.715 4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 117 17.152 9.029 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.566 8.272 5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 117 19.244 10.461 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.842 11.229 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 117 16.317 11.627 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.888 10.487 8.644 1.00 0.00 H new ATOM 1757 N ARG A 118 19.702 7.405 3.005 1.00 0.00 N ATOM 1758 CA ARG A 118 19.705 6.247 2.107 1.00 0.00 C ATOM 1759 C ARG A 118 19.464 4.910 2.790 1.00 0.00 C ATOM 1760 O ARG A 118 19.923 4.652 3.901 1.00 0.00 O ATOM 1761 CB ARG A 118 20.983 6.210 1.253 1.00 0.00 C ATOM 1762 CG ARG A 118 20.885 7.171 0.062 1.00 0.00 C ATOM 1763 CD ARG A 118 21.791 6.737 -1.099 1.00 0.00 C ATOM 1764 NE ARG A 118 23.108 7.384 -1.077 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.246 6.915 -0.612 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.340 5.782 0.019 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 25.338 7.587 -0.802 1.00 0.00 N ATOM 0 H ARG A 118 20.304 7.297 3.821 1.00 0.00 H new ATOM 0 HA ARG A 118 18.843 6.392 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.842 6.477 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.152 5.196 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 118 19.852 7.219 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 118 21.161 8.176 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 118 21.924 5.656 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.296 6.966 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 118 23.146 8.322 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.507 5.213 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.246 5.462 0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 118 25.311 8.472 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 118 26.225 7.231 -0.445 1.00 0.00 H new ATOM 1781 N VAL A 119 18.785 4.045 2.035 1.00 0.00 N ATOM 1782 CA VAL A 119 18.477 2.641 2.386 1.00 0.00 C ATOM 1783 C VAL A 119 19.398 1.637 1.657 1.00 0.00 C ATOM 1784 O VAL A 119 19.073 0.462 1.488 1.00 0.00 O ATOM 1785 CB VAL A 119 16.970 2.321 2.178 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.498 1.299 3.217 1.00 0.00 C ATOM 1787 CG2 VAL A 119 16.039 3.539 2.315 1.00 0.00 C ATOM 0 H VAL A 119 18.415 4.306 1.121 1.00 0.00 H new ATOM 0 HA VAL A 119 18.685 2.523 3.449 1.00 0.00 H new ATOM 0 HB VAL A 119 16.906 1.947 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.441 1.083 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.075 0.380 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.641 1.705 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.007 3.228 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 119 16.140 3.963 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.311 4.290 1.573 1.00 0.00 H new ATOM 1797 N GLY A 120 20.559 2.114 1.196 1.00 0.00 N ATOM 1798 CA GLY A 120 21.568 1.357 0.443 1.00 0.00 C ATOM 1799 C GLY A 120 22.733 2.222 -0.058 1.00 0.00 C ATOM 1800 O GLY A 120 22.790 3.424 0.208 1.00 0.00 O ATOM 0 H GLY A 120 20.835 3.085 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.962 0.562 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.089 0.877 -0.410 1.00 0.00 H new ATOM 1804 N GLU A 121 23.656 1.616 -0.809 1.00 0.00 N ATOM 1805 CA GLU A 121 24.864 2.254 -1.366 1.00 0.00 C ATOM 1806 C GLU A 121 24.864 2.250 -2.904 1.00 0.00 C ATOM 1807 O GLU A 121 24.148 1.471 -3.543 1.00 0.00 O ATOM 1808 CB GLU A 121 26.121 1.545 -0.827 1.00 0.00 C ATOM 1809 CG GLU A 121 26.457 1.926 0.625 1.00 0.00 C ATOM 1810 CD GLU A 121 27.232 3.260 0.713 1.00 0.00 C ATOM 1811 OE1 GLU A 121 26.623 4.339 0.503 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 28.459 3.234 0.987 1.00 0.00 O ATOM 0 H GLU A 121 23.585 0.630 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 121 24.867 3.297 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.976 0.466 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.970 1.789 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 121 25.535 2.005 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 121 27.050 1.132 1.079 1.00 0.00 H new ATOM 1819 N MET A 122 25.658 3.149 -3.502 1.00 0.00 N ATOM 1820 CA MET A 122 25.645 3.404 -4.943 1.00 0.00 C ATOM 1821 C MET A 122 26.185 2.221 -5.749 1.00 0.00 C ATOM 1822 O MET A 122 27.307 1.758 -5.526 1.00 0.00 O ATOM 1823 CB MET A 122 26.425 4.684 -5.286 1.00 0.00 C ATOM 1824 CG MET A 122 26.258 5.034 -6.776 1.00 0.00 C ATOM 1825 SD MET A 122 27.031 6.576 -7.336 1.00 0.00 S ATOM 1826 CE MET A 122 26.161 7.791 -6.332 1.00 0.00 C ATOM 0 H MET A 122 26.331 3.722 -2.993 1.00 0.00 H new ATOM 0 HA MET A 122 24.601 3.542 -5.225 1.00 0.00 H new ATOM 0 HB2 MET A 122 26.069 5.510 -4.670 1.00 0.00 H new ATOM 0 HB3 MET A 122 27.481 4.546 -5.055 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.666 4.214 -7.367 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.192 5.087 -6.997 1.00 0.00 H new ATOM 0 HE1 MET A 122 26.100 8.735 -6.874 1.00 0.00 H new ATOM 0 HE2 MET A 122 25.155 7.431 -6.116 1.00 0.00 H new ATOM 0 HE3 MET A 122 26.700 7.944 -5.397 1.00 0.00 H new ATOM 1836 N LEU A 123 25.393 1.776 -6.724 1.00 0.00 N ATOM 1837 CA LEU A 123 25.826 0.813 -7.731 1.00 0.00 C ATOM 1838 C LEU A 123 26.598 1.560 -8.836 1.00 0.00 C ATOM 1839 O LEU A 123 26.141 2.608 -9.285 1.00 0.00 O ATOM 1840 CB LEU A 123 24.566 0.085 -8.241 1.00 0.00 C ATOM 1841 CG LEU A 123 24.752 -1.254 -8.974 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.296 -1.076 -10.387 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.654 -2.223 -8.204 1.00 0.00 C ATOM 0 H LEU A 123 24.425 2.077 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 123 26.509 0.063 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.913 -0.090 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 123 24.038 0.762 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 123 23.752 -1.684 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.408 -2.052 -10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.604 -0.468 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.266 -0.580 -10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.752 -3.152 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.638 -1.775 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 123 25.214 -2.433 -7.229 1.00 0.00 H new ATOM 1855 N LEU A 124 27.761 1.042 -9.253 1.00 0.00 N ATOM 1856 CA LEU A 124 28.721 1.729 -10.133 1.00 0.00 C ATOM 1857 C LEU A 124 29.127 0.839 -11.324 1.00 0.00 C ATOM 1858 O LEU A 124 30.022 -0.003 -11.213 1.00 0.00 O ATOM 1859 CB LEU A 124 29.956 2.137 -9.297 1.00 0.00 C ATOM 1860 CG LEU A 124 29.711 3.165 -8.178 1.00 0.00 C ATOM 1861 CD1 LEU A 124 30.938 3.257 -7.271 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.459 4.558 -8.744 1.00 0.00 C ATOM 0 H LEU A 124 28.070 0.109 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 124 28.252 2.620 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.379 1.238 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.709 2.540 -9.974 1.00 0.00 H new ATOM 0 HG LEU A 124 28.835 2.829 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 124 30.754 3.987 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.134 2.282 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.802 3.567 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.290 5.258 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.326 4.878 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.581 4.535 -9.389 1.00 0.00 H new ATOM 1874 N ILE A 125 28.436 0.998 -12.460 1.00 0.00 N ATOM 1875 CA ILE A 125 28.645 0.166 -13.664 1.00 0.00 C ATOM 1876 C ILE A 125 29.690 0.785 -14.614 1.00 0.00 C ATOM 1877 O ILE A 125 29.671 1.985 -14.890 1.00 0.00 O ATOM 1878 CB ILE A 125 27.319 -0.100 -14.430 1.00 0.00 C ATOM 1879 CG1 ILE A 125 26.115 -0.330 -13.488 1.00 0.00 C ATOM 1880 CG2 ILE A 125 27.520 -1.314 -15.357 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.761 -0.528 -14.179 1.00 0.00 C ATOM 0 H ILE A 125 27.713 1.708 -12.576 1.00 0.00 H new ATOM 0 HA ILE A 125 29.027 -0.791 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 125 27.081 0.790 -15.012 1.00 0.00 H new ATOM 0 HG12 ILE A 125 26.320 -1.206 -12.873 1.00 0.00 H new ATOM 0 HG13 ILE A 125 26.037 0.522 -12.813 1.00 0.00 H new ATOM 0 HG21 ILE A 125 26.597 -1.513 -15.902 1.00 0.00 H new ATOM 0 HG22 ILE A 125 28.321 -1.102 -16.065 1.00 0.00 H new ATOM 0 HG23 ILE A 125 27.785 -2.187 -14.761 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.987 -0.681 -13.427 1.00 0.00 H new ATOM 0 HD12 ILE A 125 24.522 0.356 -14.771 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.810 -1.400 -14.832 1.00 0.00 H new ATOM 1893 N ASP A 126 30.564 -0.055 -15.176 1.00 0.00 N ATOM 1894 CA ASP A 126 31.629 0.323 -16.115 1.00 0.00 C ATOM 1895 C ASP A 126 31.436 -0.351 -17.485 1.00 0.00 C ATOM 1896 O ASP A 126 31.550 -1.573 -17.607 1.00 0.00 O ATOM 1897 CB ASP A 126 32.986 -0.071 -15.510 1.00 0.00 C ATOM 1898 CG ASP A 126 34.152 0.082 -16.503 1.00 0.00 C ATOM 1899 OD1 ASP A 126 34.070 0.951 -17.400 1.00 0.00 O ATOM 1900 OD2 ASP A 126 35.163 -0.644 -16.357 1.00 0.00 O1- ATOM 0 H ASP A 126 30.550 -1.056 -14.983 1.00 0.00 H new ATOM 0 HA ASP A 126 31.592 1.400 -16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 126 33.180 0.546 -14.632 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.939 -1.105 -15.169 1.00 0.00 H new ATOM 1905 N ALA A 127 31.185 0.442 -18.529 1.00 0.00 N ATOM 1906 CA ALA A 127 31.060 -0.036 -19.907 1.00 0.00 C ATOM 1907 C ALA A 127 32.298 -0.802 -20.432 1.00 0.00 C ATOM 1908 O ALA A 127 32.151 -1.658 -21.310 1.00 0.00 O ATOM 1909 CB ALA A 127 30.716 1.156 -20.808 1.00 0.00 C ATOM 0 H ALA A 127 31.061 1.450 -18.439 1.00 0.00 H new ATOM 0 HA ALA A 127 30.258 -0.774 -19.925 1.00 0.00 H new ATOM 0 HB1 ALA A 127 30.619 0.817 -21.839 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.775 1.599 -20.482 1.00 0.00 H new ATOM 0 HB3 ALA A 127 31.509 1.901 -20.744 1.00 0.00 H new ATOM 1915 N SER A 128 33.499 -0.554 -19.890 1.00 0.00 N ATOM 1916 CA SER A 128 34.724 -1.307 -20.213 1.00 0.00 C ATOM 1917 C SER A 128 34.834 -2.661 -19.481 1.00 0.00 C ATOM 1918 O SER A 128 35.808 -3.388 -19.686 1.00 0.00 O ATOM 1919 CB SER A 128 35.974 -0.454 -19.934 1.00 0.00 C ATOM 1920 OG SER A 128 36.155 0.509 -20.957 1.00 0.00 O ATOM 0 H SER A 128 33.651 0.186 -19.205 1.00 0.00 H new ATOM 0 HA SER A 128 34.660 -1.535 -21.277 1.00 0.00 H new ATOM 0 HB2 SER A 128 35.873 0.045 -18.970 1.00 0.00 H new ATOM 0 HB3 SER A 128 36.853 -1.096 -19.871 1.00 0.00 H new ATOM 0 HG SER A 128 35.359 1.078 -21.015 1.00 0.00 H new ATOM 1926 N GLU A 129 33.841 -3.041 -18.670 1.00 0.00 N ATOM 1927 CA GLU A 129 33.805 -4.310 -17.920 1.00 0.00 C ATOM 1928 C GLU A 129 32.461 -5.059 -18.044 1.00 0.00 C ATOM 1929 O GLU A 129 32.446 -6.292 -18.000 1.00 0.00 O ATOM 1930 CB GLU A 129 34.168 -4.027 -16.449 1.00 0.00 C ATOM 1931 CG GLU A 129 34.337 -5.297 -15.605 1.00 0.00 C ATOM 1932 CD GLU A 129 34.917 -4.964 -14.218 1.00 0.00 C ATOM 1933 OE1 GLU A 129 34.140 -4.609 -13.297 1.00 0.00 O1- ATOM 1934 OE2 GLU A 129 36.155 -5.077 -14.030 1.00 0.00 O ATOM 0 H GLU A 129 33.016 -2.462 -18.510 1.00 0.00 H new ATOM 0 HA GLU A 129 34.541 -4.983 -18.360 1.00 0.00 H new ATOM 0 HB2 GLU A 129 35.094 -3.452 -16.416 1.00 0.00 H new ATOM 0 HB3 GLU A 129 33.391 -3.406 -16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 129 33.373 -5.793 -15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 129 34.996 -5.996 -16.121 1.00 0.00 H new ATOM 1941 N ASN A 130 31.345 -4.350 -18.269 1.00 0.00 N ATOM 1942 CA ASN A 130 30.015 -4.941 -18.439 1.00 0.00 C ATOM 1943 C ASN A 130 29.175 -4.193 -19.514 1.00 0.00 C ATOM 1944 O ASN A 130 28.725 -3.072 -19.257 1.00 0.00 O ATOM 1945 CB ASN A 130 29.309 -4.979 -17.068 1.00 0.00 C ATOM 1946 CG ASN A 130 28.048 -5.828 -17.102 1.00 0.00 C ATOM 1947 OD1 ASN A 130 27.494 -6.132 -18.149 1.00 0.00 O ATOM 1948 ND2 ASN A 130 27.566 -6.270 -15.969 1.00 0.00 N ATOM 0 H ASN A 130 31.344 -3.332 -18.339 1.00 0.00 H new ATOM 0 HA ASN A 130 30.122 -5.960 -18.811 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.993 -5.376 -16.318 1.00 0.00 H new ATOM 0 HB3 ASN A 130 29.055 -3.964 -16.762 1.00 0.00 H new ATOM 0 HD21 ASN A 130 26.736 -6.862 -15.964 1.00 0.00 H new ATOM 0 HD22 ASN A 130 28.021 -6.022 -15.090 1.00 0.00 H new ATOM 1955 N PRO A 131 28.939 -4.791 -20.706 1.00 0.00 N ATOM 1956 CA PRO A 131 28.112 -4.207 -21.772 1.00 0.00 C ATOM 1957 C PRO A 131 26.589 -4.391 -21.578 1.00 0.00 C ATOM 1958 O PRO A 131 25.804 -3.915 -22.400 1.00 0.00 O ATOM 1959 CB PRO A 131 28.595 -4.905 -23.049 1.00 0.00 C ATOM 1960 CG PRO A 131 28.953 -6.306 -22.560 1.00 0.00 C ATOM 1961 CD PRO A 131 29.520 -6.049 -21.164 1.00 0.00 C ATOM 0 HA PRO A 131 28.232 -3.124 -21.792 1.00 0.00 H new ATOM 0 HB2 PRO A 131 27.818 -4.931 -23.813 1.00 0.00 H new ATOM 0 HB3 PRO A 131 29.455 -4.398 -23.486 1.00 0.00 H new ATOM 0 HG2 PRO A 131 28.080 -6.957 -22.527 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.684 -6.786 -23.210 1.00 0.00 H new ATOM 0 HD2 PRO A 131 29.265 -6.864 -20.486 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.608 -5.986 -21.193 1.00 0.00 H new ATOM 1969 N GLU A 132 26.147 -5.061 -20.506 1.00 0.00 N ATOM 1970 CA GLU A 132 24.746 -5.408 -20.206 1.00 0.00 C ATOM 1971 C GLU A 132 24.387 -4.949 -18.776 1.00 0.00 C ATOM 1972 O GLU A 132 24.293 -5.778 -17.865 1.00 0.00 O ATOM 1973 CB GLU A 132 24.514 -6.920 -20.408 1.00 0.00 C ATOM 1974 CG GLU A 132 24.649 -7.345 -21.876 1.00 0.00 C ATOM 1975 CD GLU A 132 24.364 -8.851 -22.045 1.00 0.00 C ATOM 1976 OE1 GLU A 132 23.184 -9.232 -22.242 1.00 0.00 O ATOM 1977 OE2 GLU A 132 25.320 -9.663 -22.005 1.00 0.00 O1- ATOM 0 H GLU A 132 26.788 -5.394 -19.786 1.00 0.00 H new ATOM 0 HA GLU A 132 24.084 -4.886 -20.897 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.230 -7.478 -19.804 1.00 0.00 H new ATOM 0 HB3 GLU A 132 23.520 -7.183 -20.047 1.00 0.00 H new ATOM 0 HG2 GLU A 132 23.956 -6.769 -22.490 1.00 0.00 H new ATOM 0 HG3 GLU A 132 25.654 -7.119 -22.232 1.00 0.00 H new ATOM 1984 N PRO A 133 24.186 -3.632 -18.542 1.00 0.00 N ATOM 1985 CA PRO A 133 24.061 -3.034 -17.203 1.00 0.00 C ATOM 1986 C PRO A 133 22.944 -3.581 -16.311 1.00 0.00 C ATOM 1987 O PRO A 133 23.038 -3.519 -15.083 1.00 0.00 O ATOM 1988 CB PRO A 133 23.957 -1.522 -17.441 1.00 0.00 C ATOM 1989 CG PRO A 133 23.441 -1.394 -18.870 1.00 0.00 C ATOM 1990 CD PRO A 133 24.091 -2.589 -19.558 1.00 0.00 C ATOM 0 HA PRO A 133 24.935 -3.306 -16.612 1.00 0.00 H new ATOM 0 HB2 PRO A 133 23.276 -1.054 -16.730 1.00 0.00 H new ATOM 0 HB3 PRO A 133 24.925 -1.034 -17.323 1.00 0.00 H new ATOM 0 HG2 PRO A 133 22.353 -1.441 -18.915 1.00 0.00 H new ATOM 0 HG3 PRO A 133 23.739 -0.450 -19.327 1.00 0.00 H new ATOM 0 HD2 PRO A 133 23.494 -2.923 -20.407 1.00 0.00 H new ATOM 0 HD3 PRO A 133 25.077 -2.329 -19.944 1.00 0.00 H new ATOM 1998 N GLU A 134 21.913 -4.193 -16.888 1.00 0.00 N ATOM 1999 CA GLU A 134 20.904 -4.940 -16.129 1.00 0.00 C ATOM 2000 C GLU A 134 21.503 -6.064 -15.275 1.00 0.00 C ATOM 2001 O GLU A 134 21.115 -6.238 -14.123 1.00 0.00 O ATOM 2002 CB GLU A 134 19.844 -5.483 -17.081 1.00 0.00 C ATOM 2003 CG GLU A 134 20.336 -6.496 -18.131 1.00 0.00 C ATOM 2004 CD GLU A 134 19.196 -6.915 -19.079 1.00 0.00 C ATOM 2005 OE1 GLU A 134 18.425 -7.846 -18.738 1.00 0.00 O ATOM 2006 OE2 GLU A 134 19.070 -6.329 -20.181 1.00 0.00 O1- ATOM 0 H GLU A 134 21.750 -4.187 -17.895 1.00 0.00 H new ATOM 0 HA GLU A 134 20.444 -4.244 -15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.060 -5.955 -16.489 1.00 0.00 H new ATOM 0 HB3 GLU A 134 19.387 -4.642 -17.603 1.00 0.00 H new ATOM 0 HG2 GLU A 134 21.150 -6.058 -18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.738 -7.377 -17.630 1.00 0.00 H new ATOM 2013 N THR A 135 22.526 -6.763 -15.777 1.00 0.00 N ATOM 2014 CA THR A 135 23.218 -7.857 -15.063 1.00 0.00 C ATOM 2015 C THR A 135 24.034 -7.378 -13.853 1.00 0.00 C ATOM 2016 O THR A 135 24.535 -8.190 -13.076 1.00 0.00 O ATOM 2017 CB THR A 135 24.130 -8.662 -16.004 1.00 0.00 C ATOM 2018 OG1 THR A 135 25.204 -7.877 -16.472 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.364 -9.198 -17.212 1.00 0.00 C ATOM 0 H THR A 135 22.908 -6.587 -16.706 1.00 0.00 H new ATOM 0 HA THR A 135 22.420 -8.499 -14.690 1.00 0.00 H new ATOM 0 HB THR A 135 24.512 -9.498 -15.418 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.865 -7.190 -17.084 1.00 0.00 H new ATOM 0 HG21 THR A 135 24.043 -9.761 -17.853 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.560 -9.851 -16.873 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.942 -8.365 -17.774 1.00 0.00 H new ATOM 2027 N GLU A 136 24.132 -6.058 -13.669 1.00 0.00 N ATOM 2028 CA GLU A 136 24.846 -5.407 -12.560 1.00 0.00 C ATOM 2029 C GLU A 136 23.892 -4.720 -11.569 1.00 0.00 C ATOM 2030 O GLU A 136 24.286 -4.393 -10.454 1.00 0.00 O ATOM 2031 CB GLU A 136 25.836 -4.380 -13.147 1.00 0.00 C ATOM 2032 CG GLU A 136 27.106 -4.196 -12.306 1.00 0.00 C ATOM 2033 CD GLU A 136 28.009 -5.441 -12.377 1.00 0.00 C ATOM 2034 OE1 GLU A 136 28.637 -5.672 -13.439 1.00 0.00 O1- ATOM 2035 OE2 GLU A 136 28.087 -6.197 -11.378 1.00 0.00 O ATOM 0 H GLU A 136 23.703 -5.388 -14.308 1.00 0.00 H new ATOM 0 HA GLU A 136 25.378 -6.175 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 136 26.119 -4.695 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 136 25.333 -3.418 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.656 -3.324 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.833 -4.001 -11.269 1.00 0.00 H new ATOM 2042 N SER A 137 22.619 -4.556 -11.942 1.00 0.00 N ATOM 2043 CA SER A 137 21.642 -3.729 -11.219 1.00 0.00 C ATOM 2044 C SER A 137 20.318 -4.430 -10.903 1.00 0.00 C ATOM 2045 O SER A 137 19.682 -4.102 -9.907 1.00 0.00 O ATOM 2046 CB SER A 137 21.376 -2.474 -12.047 1.00 0.00 C ATOM 2047 OG SER A 137 21.034 -2.837 -13.375 1.00 0.00 O ATOM 0 H SER A 137 22.229 -5.003 -12.772 1.00 0.00 H new ATOM 0 HA SER A 137 22.081 -3.496 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.568 -1.896 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 137 22.260 -1.836 -12.051 1.00 0.00 H new ATOM 0 HG SER A 137 21.850 -3.040 -13.879 1.00 0.00 H new ATOM 2053 N ASN A 138 19.926 -5.453 -11.661 1.00 0.00 N ATOM 2054 CA ASN A 138 18.788 -6.311 -11.327 1.00 0.00 C ATOM 2055 C ASN A 138 18.850 -6.877 -9.881 1.00 0.00 C ATOM 2056 O ASN A 138 17.912 -6.615 -9.121 1.00 0.00 O ATOM 2057 CB ASN A 138 18.691 -7.378 -12.427 1.00 0.00 C ATOM 2058 CG ASN A 138 17.572 -8.387 -12.217 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.613 -9.205 -11.311 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.560 -8.391 -13.053 1.00 0.00 N ATOM 0 H ASN A 138 20.392 -5.712 -12.531 1.00 0.00 H new ATOM 0 HA ASN A 138 17.865 -5.732 -11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.544 -6.883 -13.387 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.640 -7.911 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 138 15.812 -9.076 -12.945 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.522 -7.710 -13.811 1.00 0.00 H new ATOM 2067 N PRO A 139 19.945 -7.530 -9.426 1.00 0.00 N ATOM 2068 CA PRO A 139 20.038 -8.013 -8.043 1.00 0.00 C ATOM 2069 C PRO A 139 20.102 -6.880 -7.002 1.00 0.00 C ATOM 2070 O PRO A 139 19.651 -7.068 -5.872 1.00 0.00 O ATOM 2071 CB PRO A 139 21.286 -8.897 -7.990 1.00 0.00 C ATOM 2072 CG PRO A 139 22.160 -8.321 -9.098 1.00 0.00 C ATOM 2073 CD PRO A 139 21.139 -7.929 -10.162 1.00 0.00 C ATOM 0 HA PRO A 139 19.136 -8.566 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.778 -8.843 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 139 21.046 -9.945 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.736 -7.462 -8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.874 -9.054 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 139 21.510 -7.112 -10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.928 -8.764 -10.830 1.00 0.00 H new ATOM 2081 N TRP A 140 20.620 -5.697 -7.370 1.00 0.00 N ATOM 2082 CA TRP A 140 20.616 -4.508 -6.508 1.00 0.00 C ATOM 2083 C TRP A 140 19.180 -4.061 -6.189 1.00 0.00 C ATOM 2084 O TRP A 140 18.837 -3.904 -5.018 1.00 0.00 O ATOM 2085 CB TRP A 140 21.424 -3.378 -7.173 1.00 0.00 C ATOM 2086 CG TRP A 140 21.601 -2.134 -6.345 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.693 -1.810 -5.615 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.655 -1.037 -6.131 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.497 -0.584 -4.999 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.240 -0.087 -5.244 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.354 -0.750 -6.590 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.558 1.059 -4.806 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.649 0.384 -6.153 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.246 1.283 -5.255 1.00 0.00 C ATOM 0 H TRP A 140 21.055 -5.540 -8.279 1.00 0.00 H new ATOM 0 HA TRP A 140 21.091 -4.759 -5.560 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.410 -3.764 -7.432 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.933 -3.105 -8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.583 -2.415 -5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.200 -0.109 -4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.886 -1.420 -7.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.035 1.758 -4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.645 0.565 -6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.697 2.146 -4.910 1.00 0.00 H new ATOM 2105 N VAL A 141 18.310 -3.918 -7.201 1.00 0.00 N ATOM 2106 CA VAL A 141 16.911 -3.506 -6.972 1.00 0.00 C ATOM 2107 C VAL A 141 16.107 -4.628 -6.291 1.00 0.00 C ATOM 2108 O VAL A 141 15.247 -4.347 -5.453 1.00 0.00 O ATOM 2109 CB VAL A 141 16.199 -3.043 -8.262 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.885 -2.333 -7.911 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.993 -2.036 -9.104 1.00 0.00 C ATOM 0 H VAL A 141 18.546 -4.080 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 141 16.954 -2.645 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 141 16.063 -3.959 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.390 -2.010 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.234 -3.019 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 141 15.096 -1.465 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.417 -1.767 -9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 141 17.188 -1.141 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.939 -2.483 -9.409 1.00 0.00 H new ATOM 2121 N GLU A 142 16.404 -5.900 -6.587 1.00 0.00 N ATOM 2122 CA GLU A 142 15.818 -7.051 -5.875 1.00 0.00 C ATOM 2123 C GLU A 142 16.239 -7.133 -4.389 1.00 0.00 C ATOM 2124 O GLU A 142 15.585 -7.830 -3.611 1.00 0.00 O ATOM 2125 CB GLU A 142 16.158 -8.376 -6.582 1.00 0.00 C ATOM 2126 CG GLU A 142 15.373 -8.607 -7.884 1.00 0.00 C ATOM 2127 CD GLU A 142 15.551 -10.033 -8.450 1.00 0.00 C ATOM 2128 OE1 GLU A 142 16.571 -10.709 -8.167 1.00 0.00 O ATOM 2129 OE2 GLU A 142 14.637 -10.504 -9.171 1.00 0.00 O1- ATOM 0 H GLU A 142 17.056 -6.164 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 142 14.740 -6.890 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.225 -8.394 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.961 -9.202 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 142 14.314 -8.424 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.697 -7.882 -8.631 1.00 0.00 H new ATOM 2136 N HIS A 143 17.301 -6.423 -3.980 1.00 0.00 N ATOM 2137 CA HIS A 143 17.739 -6.298 -2.584 1.00 0.00 C ATOM 2138 C HIS A 143 17.197 -5.020 -1.930 1.00 0.00 C ATOM 2139 O HIS A 143 16.456 -5.104 -0.952 1.00 0.00 O ATOM 2140 CB HIS A 143 19.273 -6.348 -2.534 1.00 0.00 C ATOM 2141 CG HIS A 143 19.841 -6.068 -1.165 1.00 0.00 C ATOM 2142 ND1 HIS A 143 20.028 -7.011 -0.148 1.00 0.00 N ATOM 2143 CD2 HIS A 143 20.243 -4.845 -0.714 1.00 0.00 C ATOM 2144 CE1 HIS A 143 20.552 -6.332 0.889 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.693 -5.032 0.576 1.00 0.00 N ATOM 0 H HIS A 143 17.894 -5.906 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 143 17.334 -7.132 -2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.607 -7.332 -2.863 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.675 -5.622 -3.241 1.00 0.00 H new ATOM 0 HD2 HIS A 143 20.214 -3.914 -1.260 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.821 -6.770 1.839 1.00 0.00 H new ATOM 0 HE2 HIS A 143 21.069 -4.308 1.188 1.00 0.00 H new ATOM 2153 N TRP A 144 17.519 -3.843 -2.478 1.00 0.00 N ATOM 2154 CA TRP A 144 17.163 -2.533 -1.918 1.00 0.00 C ATOM 2155 C TRP A 144 15.654 -2.391 -1.670 1.00 0.00 C ATOM 2156 O TRP A 144 15.249 -2.042 -0.563 1.00 0.00 O ATOM 2157 CB TRP A 144 17.723 -1.452 -2.855 1.00 0.00 C ATOM 2158 CG TRP A 144 17.356 -0.030 -2.550 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.993 0.803 -1.693 1.00 0.00 C ATOM 2160 CD2 TRP A 144 16.285 0.769 -3.141 1.00 0.00 C ATOM 2161 NE1 TRP A 144 17.390 2.043 -1.694 1.00 0.00 N ATOM 2162 CE2 TRP A 144 16.333 2.077 -2.571 1.00 0.00 C ATOM 2163 CE3 TRP A 144 15.280 0.518 -4.102 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 15.433 3.083 -2.931 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 14.377 1.530 -4.477 1.00 0.00 C ATOM 2166 CH2 TRP A 144 14.460 2.806 -3.895 1.00 0.00 C ATOM 0 H TRP A 144 18.049 -3.773 -3.347 1.00 0.00 H new ATOM 0 HA TRP A 144 17.610 -2.419 -0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.810 -1.530 -2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 144 17.392 -1.677 -3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.851 0.534 -1.094 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.689 2.831 -1.120 1.00 0.00 H new ATOM 0 HE3 TRP A 144 15.204 -0.460 -4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 15.488 4.059 -2.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.616 1.325 -5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.767 3.578 -4.195 1.00 0.00 H new ATOM 2177 N GLY A 145 14.813 -2.783 -2.635 1.00 0.00 N ATOM 2178 CA GLY A 145 13.354 -2.790 -2.509 1.00 0.00 C ATOM 2179 C GLY A 145 12.789 -3.596 -1.323 1.00 0.00 C ATOM 2180 O GLY A 145 11.659 -3.337 -0.907 1.00 0.00 O ATOM 0 H GLY A 145 15.137 -3.111 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 145 13.011 -1.759 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.930 -3.189 -3.430 1.00 0.00 H new ATOM 2184 N THR A 146 13.542 -4.534 -0.731 1.00 0.00 N ATOM 2185 CA THR A 146 13.111 -5.270 0.477 1.00 0.00 C ATOM 2186 C THR A 146 13.231 -4.453 1.775 1.00 0.00 C ATOM 2187 O THR A 146 12.693 -4.862 2.806 1.00 0.00 O ATOM 2188 CB THR A 146 13.871 -6.595 0.674 1.00 0.00 C ATOM 2189 OG1 THR A 146 15.226 -6.389 1.009 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.827 -7.501 -0.554 1.00 0.00 C ATOM 0 H THR A 146 14.464 -4.807 -1.071 1.00 0.00 H new ATOM 0 HA THR A 146 12.057 -5.476 0.288 1.00 0.00 H new ATOM 0 HB THR A 146 13.352 -7.085 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.727 -6.138 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.381 -8.417 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.791 -7.747 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.278 -6.986 -1.402 1.00 0.00 H new ATOM 2198 N LEU A 147 13.917 -3.302 1.736 1.00 0.00 N ATOM 2199 CA LEU A 147 14.308 -2.519 2.915 1.00 0.00 C ATOM 2200 C LEU A 147 13.474 -1.239 3.139 1.00 0.00 C ATOM 2201 O LEU A 147 13.582 -0.634 4.207 1.00 0.00 O ATOM 2202 CB LEU A 147 15.808 -2.180 2.814 1.00 0.00 C ATOM 2203 CG LEU A 147 16.756 -3.376 2.587 1.00 0.00 C ATOM 2204 CD1 LEU A 147 18.195 -2.877 2.479 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.688 -4.402 3.722 1.00 0.00 C ATOM 0 H LEU A 147 14.223 -2.879 0.860 1.00 0.00 H new ATOM 0 HA LEU A 147 14.107 -3.141 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.946 -1.472 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 147 16.108 -1.672 3.731 1.00 0.00 H new ATOM 0 HG LEU A 147 16.436 -3.863 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.863 -3.724 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 147 18.278 -2.185 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 147 18.473 -2.365 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.374 -5.223 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 147 16.969 -3.925 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.672 -4.790 3.802 1.00 0.00 H new ATOM 2217 N LEU A 148 12.623 -0.848 2.177 1.00 0.00 N ATOM 2218 CA LEU A 148 11.733 0.318 2.273 1.00 0.00 C ATOM 2219 C LEU A 148 10.250 -0.016 2.043 1.00 0.00 C ATOM 2220 O LEU A 148 9.876 -0.587 1.017 1.00 0.00 O ATOM 2221 CB LEU A 148 12.178 1.481 1.364 1.00 0.00 C ATOM 2222 CG LEU A 148 12.526 1.198 -0.116 1.00 0.00 C ATOM 2223 CD1 LEU A 148 12.322 2.477 -0.919 1.00 0.00 C ATOM 2224 CD2 LEU A 148 14.002 0.835 -0.269 1.00 0.00 C ATOM 0 H LEU A 148 12.533 -1.346 1.291 1.00 0.00 H new ATOM 0 HA LEU A 148 11.824 0.647 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 148 11.384 2.228 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 148 13.054 1.939 1.824 1.00 0.00 H new ATOM 0 HG LEU A 148 11.893 0.380 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 148 12.564 2.292 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 148 11.283 2.796 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 148 12.973 3.259 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 148 14.222 0.640 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 148 14.618 1.662 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 148 14.220 -0.057 0.319 1.00 0.00 H new ATOM 2236 N SER A 149 9.422 0.387 3.022 1.00 0.00 N ATOM 2237 CA SER A 149 7.946 0.387 3.018 1.00 0.00 C ATOM 2238 C SER A 149 7.403 1.174 4.221 1.00 0.00 C ATOM 2239 O SER A 149 7.042 2.359 4.041 1.00 0.00 O ATOM 2240 CB SER A 149 7.378 -1.037 2.982 1.00 0.00 C ATOM 2241 OG SER A 149 7.757 -1.694 4.169 1.00 0.00 O ATOM 2242 OXT SER A 149 7.405 0.624 5.350 1.00 0.00 O1- ATOM 0 H SER A 149 9.792 0.748 3.901 1.00 0.00 H new ATOM 0 HA SER A 149 7.616 0.885 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.292 -1.011 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 149 7.756 -1.575 2.113 1.00 0.00 H new ATOM 0 HG SER A 149 7.633 -1.090 4.931 1.00 0.00 H new