USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 0.998 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.91 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0585 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.134 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.952 K(o=0.95,f=-2) USER MOD Single : A 4 TYR OH : rot 105:sc= 1.57 USER MOD Single : A 13 GLN : amide:sc= 0.798 K(o=0.8,f=-0.0058) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.8) USER MOD Single : A 23 MET CE :methyl 156:sc= -0.699 (180deg=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 51 ASN : amide:sc= 0.995 K(o=0.99,f=-5.2!) USER MOD Single : A 54 GLN : amide:sc= 0.884 K(o=0.88,f=-0.45) USER MOD Single : A 55 SER OG : rot 95:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.196 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.877 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.171 K(o=0.17,f=-5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.053) USER MOD Single : A 87 SER OG : rot -110:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.040 -0.825 1.704 1.00 0.00 N ATOM 2 CA MET A 1 2.494 -0.420 0.383 1.00 0.00 C ATOM 3 C MET A 1 2.590 -1.598 -0.609 1.00 0.00 C ATOM 4 O MET A 1 3.002 -2.694 -0.218 1.00 0.00 O ATOM 5 CB MET A 1 3.169 0.875 -0.123 1.00 0.00 C ATOM 6 CG MET A 1 2.171 1.756 -0.889 1.00 0.00 C ATOM 7 SD MET A 1 2.856 3.223 -1.708 1.00 0.00 S ATOM 8 CE MET A 1 3.999 2.438 -2.876 1.00 0.00 C ATOM 0 H1 MET A 1 2.360 -0.579 2.451 1.00 0.00 H new ATOM 0 H2 MET A 1 3.206 -1.852 1.711 1.00 0.00 H new ATOM 0 H3 MET A 1 3.938 -0.328 1.876 1.00 0.00 H new ATOM 0 HA MET A 1 1.436 -0.178 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.576 1.431 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.008 0.622 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.681 1.141 -1.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.399 2.082 -0.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.205 3.122 -3.699 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.931 2.194 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.550 1.525 -3.267 1.00 0.00 H new ATOM 20 N LEU A 2 2.184 -1.427 -1.876 1.00 0.00 N ATOM 21 CA LEU A 2 1.974 -2.515 -2.824 1.00 0.00 C ATOM 22 C LEU A 2 2.448 -2.083 -4.221 1.00 0.00 C ATOM 23 O LEU A 2 2.946 -0.969 -4.407 1.00 0.00 O ATOM 24 CB LEU A 2 0.471 -2.855 -2.805 1.00 0.00 C ATOM 25 CG LEU A 2 0.176 -4.348 -3.002 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.438 -5.129 -1.710 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.283 -4.545 -3.414 1.00 0.00 C ATOM 0 H LEU A 2 1.990 -0.507 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 2 2.548 -3.401 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.046 -2.532 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -0.031 -2.288 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 2 0.836 -4.721 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.222 -6.185 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.482 -5.013 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.204 -4.746 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.482 -5.608 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.937 -4.151 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.472 -4.017 -4.349 1.00 0.00 H new ATOM 39 N GLN A 3 2.331 -2.963 -5.212 1.00 0.00 N ATOM 40 CA GLN A 3 2.802 -2.746 -6.575 1.00 0.00 C ATOM 41 C GLN A 3 1.995 -3.628 -7.532 1.00 0.00 C ATOM 42 O GLN A 3 1.515 -4.680 -7.110 1.00 0.00 O ATOM 43 CB GLN A 3 4.303 -3.093 -6.570 1.00 0.00 C ATOM 44 CG GLN A 3 4.959 -3.284 -7.941 1.00 0.00 C ATOM 45 CD GLN A 3 6.471 -3.432 -7.828 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.001 -3.904 -6.825 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.184 -3.002 -8.850 1.00 0.00 N ATOM 0 H GLN A 3 1.892 -3.875 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 3 2.668 -1.719 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.836 -2.301 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.441 -4.008 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.542 -4.168 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.724 -2.432 -8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.718 -2.615 -9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.202 -3.057 -8.821 1.00 0.00 H new ATOM 56 N TYR A 4 1.912 -3.257 -8.815 1.00 0.00 N ATOM 57 CA TYR A 4 1.457 -4.141 -9.887 1.00 0.00 C ATOM 58 C TYR A 4 2.547 -4.305 -10.945 1.00 0.00 C ATOM 59 O TYR A 4 3.436 -3.461 -11.092 1.00 0.00 O ATOM 60 CB TYR A 4 0.109 -3.691 -10.511 1.00 0.00 C ATOM 61 CG TYR A 4 0.046 -2.388 -11.320 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.898 -2.137 -12.420 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.959 -1.444 -11.029 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.838 -0.918 -13.114 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.028 -0.220 -11.718 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.106 0.061 -12.750 1.00 0.00 C ATOM 67 OH TYR A 4 -0.110 1.255 -13.404 1.00 0.00 O ATOM 0 H TYR A 4 2.163 -2.323 -9.139 1.00 0.00 H new ATOM 0 HA TYR A 4 1.264 -5.116 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.234 -4.496 -11.161 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.614 -3.607 -9.700 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.604 -2.893 -12.730 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.689 -1.664 -10.264 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.519 -0.730 -13.931 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.786 0.505 -11.458 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.867 1.285 -14.025 1.00 0.00 H new ATOM 77 N ARG A 5 2.377 -5.342 -11.764 1.00 0.00 N ATOM 78 CA ARG A 5 2.904 -5.459 -13.120 1.00 0.00 C ATOM 79 C ARG A 5 1.712 -5.929 -13.949 1.00 0.00 C ATOM 80 O ARG A 5 0.964 -6.791 -13.493 1.00 0.00 O ATOM 81 CB ARG A 5 4.065 -6.466 -13.146 1.00 0.00 C ATOM 82 CG ARG A 5 4.632 -6.709 -14.558 1.00 0.00 C ATOM 83 CD ARG A 5 5.595 -7.905 -14.597 1.00 0.00 C ATOM 84 NE ARG A 5 4.903 -9.177 -14.310 1.00 0.00 N ATOM 85 CZ ARG A 5 5.383 -10.409 -14.511 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.594 -10.597 -15.030 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.627 -11.449 -14.179 1.00 0.00 N ATOM 0 H ARG A 5 1.841 -6.164 -11.484 1.00 0.00 H new ATOM 0 HA ARG A 5 3.313 -4.527 -13.510 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.864 -6.105 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.723 -7.414 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.810 -6.883 -15.253 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.153 -5.814 -14.898 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.065 -7.961 -15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.392 -7.753 -13.870 1.00 0.00 H new ATOM 0 HE ARG A 5 3.963 -9.109 -13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.171 -9.795 -15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.945 -11.544 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.701 -11.299 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.973 -12.398 -14.324 1.00 0.00 H new ATOM 101 N ILE A 6 1.504 -5.375 -15.134 1.00 0.00 N ATOM 102 CA ILE A 6 0.332 -5.622 -15.965 1.00 0.00 C ATOM 103 C ILE A 6 0.852 -5.794 -17.387 1.00 0.00 C ATOM 104 O ILE A 6 1.771 -5.081 -17.796 1.00 0.00 O ATOM 105 CB ILE A 6 -0.662 -4.438 -15.835 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.244 -4.356 -14.407 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.804 -4.514 -16.868 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.019 -3.068 -14.126 1.00 0.00 C ATOM 0 H ILE A 6 2.164 -4.722 -15.557 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.217 -6.514 -15.661 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.093 -3.531 -16.039 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.904 -5.208 -14.245 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.429 -4.442 -13.688 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.472 -3.663 -16.735 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.386 -4.494 -17.875 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.362 -5.439 -16.726 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.396 -3.086 -13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.358 -2.211 -14.254 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.856 -2.988 -14.820 1.00 0.00 H new ATOM 120 N ILE A 7 0.244 -6.700 -18.148 1.00 0.00 N ATOM 121 CA ILE A 7 0.497 -6.874 -19.572 1.00 0.00 C ATOM 122 C ILE A 7 -0.877 -6.913 -20.241 1.00 0.00 C ATOM 123 O ILE A 7 -1.787 -7.575 -19.733 1.00 0.00 O ATOM 124 CB ILE A 7 1.333 -8.145 -19.906 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.841 -9.018 -18.727 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.492 -7.765 -20.841 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.073 -8.508 -17.962 1.00 0.00 C ATOM 0 H ILE A 7 -0.454 -7.347 -17.782 1.00 0.00 H new ATOM 0 HA ILE A 7 1.108 -6.051 -19.943 1.00 0.00 H new ATOM 0 HB ILE A 7 0.614 -8.807 -20.389 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.024 -9.134 -18.015 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.070 -10.011 -19.114 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.077 -8.654 -21.075 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.092 -7.341 -21.762 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.130 -7.030 -20.350 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.323 -9.209 -17.166 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.916 -8.421 -18.647 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.855 -7.531 -17.530 1.00 0.00 H new ATOM 139 N VAL A 8 -1.039 -6.201 -21.356 1.00 0.00 N ATOM 140 CA VAL A 8 -2.311 -6.075 -22.061 1.00 0.00 C ATOM 141 C VAL A 8 -2.097 -6.141 -23.571 1.00 0.00 C ATOM 142 O VAL A 8 -1.053 -5.723 -24.073 1.00 0.00 O ATOM 143 CB VAL A 8 -3.025 -4.764 -21.665 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.653 -4.884 -20.279 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.137 -3.511 -21.704 1.00 0.00 C ATOM 0 H VAL A 8 -0.277 -5.688 -21.800 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.949 -6.910 -21.771 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.791 -4.628 -22.428 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.150 -3.948 -20.022 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.382 -5.694 -20.279 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.876 -5.095 -19.544 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.723 -2.640 -21.411 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.302 -3.635 -21.014 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.754 -3.368 -22.714 1.00 0.00 H new ATOM 155 N ASP A 9 -3.108 -6.608 -24.298 1.00 0.00 N ATOM 156 CA ASP A 9 -3.196 -6.552 -25.753 1.00 0.00 C ATOM 157 C ASP A 9 -4.656 -6.283 -26.120 1.00 0.00 C ATOM 158 O ASP A 9 -5.558 -6.577 -25.331 1.00 0.00 O ATOM 159 CB ASP A 9 -2.688 -7.855 -26.380 1.00 0.00 C ATOM 160 CG ASP A 9 -2.876 -7.872 -27.906 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.509 -6.881 -28.572 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.380 -8.885 -28.441 1.00 0.00 O ATOM 0 H ASP A 9 -3.921 -7.054 -23.872 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.565 -5.753 -26.143 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.632 -7.983 -26.143 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.218 -8.700 -25.940 1.00 0.00 H new ATOM 167 N GLY A 10 -4.892 -5.670 -27.276 1.00 0.00 N ATOM 168 CA GLY A 10 -6.174 -5.137 -27.700 1.00 0.00 C ATOM 169 C GLY A 10 -5.896 -3.932 -28.586 1.00 0.00 C ATOM 170 O GLY A 10 -4.799 -3.815 -29.145 1.00 0.00 O ATOM 0 H GLY A 10 -4.159 -5.527 -27.971 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.742 -5.891 -28.245 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.774 -4.848 -26.837 1.00 0.00 H new ATOM 174 N ARG A 11 -6.837 -2.988 -28.671 1.00 0.00 N ATOM 175 CA ARG A 11 -6.474 -1.637 -29.087 1.00 0.00 C ATOM 176 C ARG A 11 -5.778 -1.004 -27.889 1.00 0.00 C ATOM 177 O ARG A 11 -6.441 -0.386 -27.056 1.00 0.00 O ATOM 178 CB ARG A 11 -7.692 -0.828 -29.584 1.00 0.00 C ATOM 179 CG ARG A 11 -7.344 0.626 -29.980 1.00 0.00 C ATOM 180 CD ARG A 11 -6.227 0.771 -31.021 1.00 0.00 C ATOM 181 NE ARG A 11 -6.537 0.143 -32.314 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.657 0.002 -33.317 1.00 0.00 C ATOM 183 NH1 ARG A 11 -4.401 0.427 -33.182 1.00 0.00 N ATOM 184 NH2 ARG A 11 -6.041 -0.567 -34.455 1.00 0.00 N ATOM 0 H ARG A 11 -7.826 -3.129 -28.464 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.807 -1.653 -29.949 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.130 -1.336 -30.443 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.451 -0.812 -28.802 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.243 1.105 -30.367 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.054 1.171 -29.081 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.027 1.831 -31.181 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.313 0.330 -30.623 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.484 -0.209 -32.458 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.101 0.864 -32.310 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.739 0.315 -33.950 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.001 -0.894 -34.563 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.376 -0.676 -35.220 1.00 0.00 H new ATOM 198 N VAL A 12 -4.460 -1.185 -27.803 1.00 0.00 N ATOM 199 CA VAL A 12 -3.625 -0.666 -26.724 1.00 0.00 C ATOM 200 C VAL A 12 -2.477 0.192 -27.273 1.00 0.00 C ATOM 201 O VAL A 12 -1.625 0.621 -26.502 1.00 0.00 O ATOM 202 CB VAL A 12 -3.146 -1.812 -25.800 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.327 -2.500 -25.095 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.311 -2.876 -26.532 1.00 0.00 C ATOM 0 H VAL A 12 -3.932 -1.710 -28.500 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.226 -0.001 -26.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.504 -1.332 -25.061 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.953 -3.299 -24.455 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.864 -1.770 -24.489 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.002 -2.919 -25.841 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.008 -3.649 -25.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.908 -3.324 -27.327 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.425 -2.410 -26.963 1.00 0.00 H new ATOM 214 N GLN A 13 -2.429 0.481 -28.578 1.00 0.00 N ATOM 215 CA GLN A 13 -1.527 1.470 -29.168 1.00 0.00 C ATOM 216 C GLN A 13 -2.237 2.127 -30.359 1.00 0.00 C ATOM 217 O GLN A 13 -3.255 1.621 -30.838 1.00 0.00 O ATOM 218 CB GLN A 13 -0.205 0.828 -29.653 1.00 0.00 C ATOM 219 CG GLN A 13 0.716 0.169 -28.612 1.00 0.00 C ATOM 220 CD GLN A 13 1.503 1.182 -27.775 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.610 1.577 -28.126 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.965 1.622 -26.650 1.00 0.00 N ATOM 0 H GLN A 13 -3.029 0.024 -29.265 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.277 2.207 -28.405 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.457 0.073 -30.398 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.371 1.600 -30.164 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.116 -0.453 -27.948 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.416 -0.492 -29.123 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.044 1.291 -26.361 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.471 2.292 -26.071 1.00 0.00 H new ATOM 281 N ARG A 18 -1.028 4.467 -24.121 1.00 0.00 N ATOM 282 CA ARG A 18 0.061 4.502 -23.144 1.00 0.00 C ATOM 283 C ARG A 18 0.123 5.851 -22.411 1.00 0.00 C ATOM 284 O ARG A 18 0.462 5.885 -21.231 1.00 0.00 O ATOM 285 CB ARG A 18 1.392 4.011 -23.737 1.00 0.00 C ATOM 286 CG ARG A 18 2.153 4.994 -24.631 1.00 0.00 C ATOM 287 CD ARG A 18 3.475 4.352 -25.075 1.00 0.00 C ATOM 288 NE ARG A 18 4.245 5.284 -25.919 1.00 0.00 N ATOM 289 CZ ARG A 18 5.495 5.109 -26.365 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.190 4.020 -26.042 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.049 6.037 -27.137 1.00 0.00 N ATOM 0 HA ARG A 18 -0.159 3.776 -22.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.046 3.724 -22.913 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.194 3.109 -24.316 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.551 5.254 -25.501 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.348 5.920 -24.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.063 4.074 -24.200 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.273 3.434 -25.628 1.00 0.00 H new ATOM 0 HE ARG A 18 3.778 6.149 -26.190 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.771 3.305 -25.447 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.142 3.901 -26.389 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.523 6.875 -27.385 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.001 5.912 -27.481 1.00 0.00 H new ATOM 305 N TYR A 19 -0.268 6.953 -23.059 1.00 0.00 N ATOM 306 CA TYR A 19 -0.419 8.232 -22.372 1.00 0.00 C ATOM 307 C TYR A 19 -1.635 8.189 -21.443 1.00 0.00 C ATOM 308 O TYR A 19 -1.537 8.623 -20.296 1.00 0.00 O ATOM 309 CB TYR A 19 -0.536 9.378 -23.384 1.00 0.00 C ATOM 310 CG TYR A 19 -0.559 10.749 -22.733 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.647 11.352 -22.326 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.783 11.409 -22.511 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.635 12.612 -21.702 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.802 12.673 -21.895 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.593 13.279 -21.483 1.00 0.00 C ATOM 316 OH TYR A 19 -0.626 14.502 -20.879 1.00 0.00 O ATOM 0 H TYR A 19 -0.484 6.981 -24.055 1.00 0.00 H new ATOM 0 HA TYR A 19 0.469 8.414 -21.766 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.302 9.327 -24.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.446 9.246 -23.970 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.585 10.844 -22.494 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.709 10.943 -22.814 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.562 13.070 -21.390 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.741 13.182 -21.736 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.554 14.809 -20.813 1.00 0.00 H new ATOM 326 N PHE A 20 -2.765 7.630 -21.898 1.00 0.00 N ATOM 327 CA PHE A 20 -3.971 7.498 -21.088 1.00 0.00 C ATOM 328 C PHE A 20 -3.671 6.789 -19.771 1.00 0.00 C ATOM 329 O PHE A 20 -4.038 7.311 -18.720 1.00 0.00 O ATOM 330 CB PHE A 20 -5.102 6.801 -21.869 1.00 0.00 C ATOM 331 CG PHE A 20 -6.105 6.045 -21.009 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.123 6.737 -20.325 1.00 0.00 C ATOM 333 CD2 PHE A 20 -6.003 4.644 -20.872 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.033 6.032 -19.514 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.909 3.941 -20.055 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.924 4.636 -19.376 1.00 0.00 C ATOM 0 H PHE A 20 -2.862 7.257 -22.842 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.322 8.501 -20.847 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.637 7.551 -22.451 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.657 6.104 -22.579 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.206 7.809 -20.423 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.226 4.108 -21.397 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.817 6.565 -18.996 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.824 2.869 -19.950 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.620 4.099 -18.749 1.00 0.00 H new ATOM 346 N VAL A 21 -2.966 5.655 -19.783 1.00 0.00 N ATOM 347 CA VAL A 21 -2.672 4.982 -18.533 1.00 0.00 C ATOM 348 C VAL A 21 -1.758 5.838 -17.653 1.00 0.00 C ATOM 349 O VAL A 21 -1.949 5.852 -16.444 1.00 0.00 O ATOM 350 CB VAL A 21 -2.154 3.557 -18.754 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.212 2.671 -19.428 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.839 3.453 -19.525 1.00 0.00 C ATOM 0 H VAL A 21 -2.601 5.201 -20.621 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.606 4.863 -17.983 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.944 3.198 -17.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.810 1.668 -19.569 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.100 2.621 -18.798 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.478 3.095 -20.396 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.559 2.404 -19.628 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.961 3.894 -20.514 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.057 3.986 -18.984 1.00 0.00 H new ATOM 362 N GLN A 22 -0.825 6.622 -18.207 1.00 0.00 N ATOM 363 CA GLN A 22 -0.052 7.548 -17.385 1.00 0.00 C ATOM 364 C GLN A 22 -0.928 8.656 -16.780 1.00 0.00 C ATOM 365 O GLN A 22 -0.674 9.071 -15.647 1.00 0.00 O ATOM 366 CB GLN A 22 1.136 8.117 -18.176 1.00 0.00 C ATOM 367 CG GLN A 22 2.294 7.126 -18.399 1.00 0.00 C ATOM 368 CD GLN A 22 2.602 6.205 -17.213 1.00 0.00 C ATOM 369 OE1 GLN A 22 2.850 6.658 -16.105 1.00 0.00 O ATOM 370 NE2 GLN A 22 2.560 4.895 -17.401 1.00 0.00 N ATOM 0 H GLN A 22 -0.593 6.632 -19.200 1.00 0.00 H new ATOM 0 HA GLN A 22 0.350 6.985 -16.543 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.778 8.461 -19.146 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.520 8.991 -17.650 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.061 6.509 -19.267 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.193 7.692 -18.642 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.353 4.519 -18.326 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.735 4.262 -16.621 1.00 0.00 H new ATOM 379 N MET A 23 -1.990 9.095 -17.465 1.00 0.00 N ATOM 380 CA MET A 23 -2.950 10.028 -16.867 1.00 0.00 C ATOM 381 C MET A 23 -3.644 9.353 -15.684 1.00 0.00 C ATOM 382 O MET A 23 -3.765 9.946 -14.614 1.00 0.00 O ATOM 383 CB MET A 23 -4.040 10.498 -17.842 1.00 0.00 C ATOM 384 CG MET A 23 -3.560 11.220 -19.100 1.00 0.00 C ATOM 385 SD MET A 23 -4.902 12.083 -19.975 1.00 0.00 S ATOM 386 CE MET A 23 -5.965 10.702 -20.495 1.00 0.00 C ATOM 0 H MET A 23 -2.205 8.822 -18.424 1.00 0.00 H new ATOM 0 HA MET A 23 -2.374 10.902 -16.563 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.623 9.629 -18.148 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.717 11.162 -17.304 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.788 11.940 -18.828 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.099 10.498 -19.774 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.982 11.063 -20.646 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.587 10.283 -21.427 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.964 9.931 -19.724 1.00 0.00 H new ATOM 396 N GLU A 24 -4.102 8.112 -15.863 1.00 0.00 N ATOM 397 CA GLU A 24 -4.837 7.404 -14.828 1.00 0.00 C ATOM 398 C GLU A 24 -3.923 7.061 -13.646 1.00 0.00 C ATOM 399 O GLU A 24 -4.363 7.088 -12.497 1.00 0.00 O ATOM 400 CB GLU A 24 -5.498 6.146 -15.399 1.00 0.00 C ATOM 401 CG GLU A 24 -6.576 6.446 -16.456 1.00 0.00 C ATOM 402 CD GLU A 24 -7.812 7.121 -15.842 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.573 6.435 -15.124 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.020 8.336 -16.059 1.00 0.00 O ATOM 0 H GLU A 24 -3.972 7.579 -16.723 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.625 8.060 -14.459 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.731 5.512 -15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.947 5.579 -14.584 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.157 7.091 -17.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.874 5.518 -16.943 1.00 0.00 H new ATOM 411 N ALA A 25 -2.645 6.788 -13.914 1.00 0.00 N ATOM 412 CA ALA A 25 -1.620 6.598 -12.904 1.00 0.00 C ATOM 413 C ALA A 25 -1.488 7.866 -12.064 1.00 0.00 C ATOM 414 O ALA A 25 -1.542 7.802 -10.836 1.00 0.00 O ATOM 415 CB ALA A 25 -0.296 6.240 -13.593 1.00 0.00 C ATOM 0 H ALA A 25 -2.292 6.692 -14.866 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.893 5.781 -12.237 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.479 6.096 -12.840 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.421 5.321 -14.166 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.004 7.049 -14.263 1.00 0.00 H new ATOM 421 N ASP A 26 -1.367 9.024 -12.720 1.00 0.00 N ATOM 422 CA ASP A 26 -1.273 10.315 -12.040 1.00 0.00 C ATOM 423 C ASP A 26 -2.535 10.634 -11.232 1.00 0.00 C ATOM 424 O ASP A 26 -2.429 11.183 -10.135 1.00 0.00 O ATOM 425 CB ASP A 26 -0.993 11.435 -13.046 1.00 0.00 C ATOM 426 CG ASP A 26 -1.014 12.813 -12.361 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.082 13.129 -11.589 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.956 13.598 -12.613 1.00 0.00 O ATOM 0 H ASP A 26 -1.332 9.091 -13.737 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.441 10.248 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.022 11.273 -13.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.739 11.409 -13.841 1.00 0.00 H new ATOM 433 N LYS A 27 -3.720 10.232 -11.715 1.00 0.00 N ATOM 434 CA LYS A 27 -5.010 10.464 -11.045 1.00 0.00 C ATOM 435 C LYS A 27 -4.979 10.010 -9.585 1.00 0.00 C ATOM 436 O LYS A 27 -5.496 10.701 -8.708 1.00 0.00 O ATOM 437 CB LYS A 27 -6.156 9.812 -11.858 1.00 0.00 C ATOM 438 CG LYS A 27 -6.898 8.636 -11.188 1.00 0.00 C ATOM 439 CD LYS A 27 -7.795 7.947 -12.210 1.00 0.00 C ATOM 440 CE LYS A 27 -8.521 6.728 -11.632 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.553 6.221 -12.570 1.00 0.00 N ATOM 0 H LYS A 27 -3.811 9.728 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.202 11.536 -11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.887 10.585 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.745 9.460 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.180 7.924 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.495 8.999 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.531 8.661 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.193 7.635 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.800 5.939 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.988 6.996 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.980 5.356 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.290 6.944 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.113 6.007 -13.488 1.00 0.00 H new ATOM 455 N ARG A 28 -4.348 8.860 -9.334 1.00 0.00 N ATOM 456 CA ARG A 28 -4.214 8.250 -8.008 1.00 0.00 C ATOM 457 C ARG A 28 -2.747 8.210 -7.559 1.00 0.00 C ATOM 458 O ARG A 28 -2.386 7.412 -6.695 1.00 0.00 O ATOM 459 CB ARG A 28 -4.939 6.887 -8.005 1.00 0.00 C ATOM 460 CG ARG A 28 -6.428 7.055 -7.655 1.00 0.00 C ATOM 461 CD ARG A 28 -7.254 5.791 -7.948 1.00 0.00 C ATOM 462 NE ARG A 28 -8.169 5.444 -6.841 1.00 0.00 N ATOM 463 CZ ARG A 28 -9.327 6.042 -6.525 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.781 7.082 -7.222 1.00 0.00 N ATOM 465 NH2 ARG A 28 -10.022 5.588 -5.491 1.00 0.00 N ATOM 0 H ARG A 28 -3.903 8.311 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.704 8.862 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.843 6.418 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.465 6.221 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.522 7.309 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.838 7.891 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.832 5.942 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.580 4.955 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.888 4.661 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.245 7.439 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.664 7.522 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.674 4.796 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.905 6.031 -5.236 1.00 0.00 H new ATOM 479 N LYS A 29 -1.916 9.107 -8.109 1.00 0.00 N ATOM 480 CA LYS A 29 -0.512 9.325 -7.756 1.00 0.00 C ATOM 481 C LYS A 29 0.285 8.018 -7.634 1.00 0.00 C ATOM 482 O LYS A 29 1.119 7.867 -6.737 1.00 0.00 O ATOM 483 CB LYS A 29 -0.405 10.240 -6.519 1.00 0.00 C ATOM 484 CG LYS A 29 -1.061 11.614 -6.736 1.00 0.00 C ATOM 485 CD LYS A 29 -0.865 12.519 -5.510 1.00 0.00 C ATOM 486 CE LYS A 29 -1.430 13.932 -5.723 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.913 13.961 -5.826 1.00 0.00 N ATOM 0 H LYS A 29 -2.226 9.733 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.033 9.850 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.875 9.748 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.646 10.380 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.631 12.091 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.126 11.486 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.350 12.064 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.198 12.588 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.117 14.570 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.001 14.355 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.232 14.941 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.217 13.377 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.329 13.586 -4.950 1.00 0.00 H new ATOM 501 N LEU A 30 0.031 7.066 -8.535 1.00 0.00 N ATOM 502 CA LEU A 30 0.908 5.918 -8.734 1.00 0.00 C ATOM 503 C LEU A 30 2.269 6.426 -9.227 1.00 0.00 C ATOM 504 O LEU A 30 2.352 7.500 -9.830 1.00 0.00 O ATOM 505 CB LEU A 30 0.289 4.948 -9.761 1.00 0.00 C ATOM 506 CG LEU A 30 -1.017 4.251 -9.332 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.448 3.252 -10.411 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.857 3.493 -8.013 1.00 0.00 C ATOM 0 H LEU A 30 -0.787 7.072 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 30 1.035 5.378 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.098 5.499 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.026 4.181 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.768 5.029 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.372 2.761 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.612 3.780 -11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.667 2.504 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.802 3.018 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.086 2.731 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.569 4.190 -7.226 1.00 0.00 H new ATOM 520 N ALA A 31 3.323 5.632 -9.032 1.00 0.00 N ATOM 521 CA ALA A 31 4.652 5.886 -9.583 1.00 0.00 C ATOM 522 C ALA A 31 5.038 4.637 -10.360 1.00 0.00 C ATOM 523 O ALA A 31 4.939 3.541 -9.809 1.00 0.00 O ATOM 524 CB ALA A 31 5.651 6.189 -8.468 1.00 0.00 C ATOM 0 H ALA A 31 3.274 4.778 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 31 4.654 6.759 -10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.634 6.375 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.325 7.071 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.708 5.338 -7.790 1.00 0.00 H new ATOM 530 N GLY A 32 5.410 4.766 -11.630 1.00 0.00 N ATOM 531 CA GLY A 32 5.537 3.620 -12.514 1.00 0.00 C ATOM 532 C GLY A 32 5.911 4.008 -13.934 1.00 0.00 C ATOM 533 O GLY A 32 6.201 5.173 -14.214 1.00 0.00 O ATOM 0 H GLY A 32 5.629 5.660 -12.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.293 2.943 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.595 3.072 -12.528 1.00 0.00 H new ATOM 537 N TRP A 33 5.885 3.038 -14.847 1.00 0.00 N ATOM 538 CA TRP A 33 6.137 3.265 -16.260 1.00 0.00 C ATOM 539 C TRP A 33 5.251 2.398 -17.159 1.00 0.00 C ATOM 540 O TRP A 33 4.661 1.413 -16.705 1.00 0.00 O ATOM 541 CB TRP A 33 7.628 3.054 -16.555 1.00 0.00 C ATOM 542 CG TRP A 33 8.192 1.701 -16.232 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.092 0.595 -17.004 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.971 1.293 -15.065 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.776 -0.451 -16.420 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.359 -0.072 -15.229 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.399 1.942 -13.886 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.163 -0.741 -14.294 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.191 1.274 -12.932 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.581 -0.061 -13.139 1.00 0.00 C ATOM 0 H TRP A 33 5.686 2.064 -14.619 1.00 0.00 H new ATOM 0 HA TRP A 33 5.873 4.297 -16.492 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.797 3.250 -17.614 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.194 3.801 -15.999 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.556 0.539 -17.940 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.842 -1.387 -16.819 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.114 2.969 -13.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.457 -1.767 -14.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.501 1.791 -12.036 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.201 -0.562 -12.411 1.00 0.00 H new ATOM 561 N VAL A 34 5.207 2.750 -18.450 1.00 0.00 N ATOM 562 CA VAL A 34 4.579 1.962 -19.518 1.00 0.00 C ATOM 563 C VAL A 34 5.536 1.831 -20.707 1.00 0.00 C ATOM 564 O VAL A 34 6.304 2.756 -20.991 1.00 0.00 O ATOM 565 CB VAL A 34 3.208 2.565 -19.880 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.322 3.983 -20.447 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.414 1.695 -20.862 1.00 0.00 C ATOM 0 H VAL A 34 5.620 3.618 -18.791 1.00 0.00 H new ATOM 0 HA VAL A 34 4.383 0.946 -19.176 1.00 0.00 H new ATOM 0 HB VAL A 34 2.665 2.605 -18.936 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.328 4.361 -20.685 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.790 4.634 -19.708 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.930 3.965 -21.352 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.458 2.171 -21.079 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.980 1.580 -21.786 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.239 0.714 -20.420 1.00 0.00 H new ATOM 577 N LYS A 35 5.482 0.692 -21.405 1.00 0.00 N ATOM 578 CA LYS A 35 6.250 0.417 -22.620 1.00 0.00 C ATOM 579 C LYS A 35 5.472 -0.531 -23.534 1.00 0.00 C ATOM 580 O LYS A 35 4.606 -1.273 -23.070 1.00 0.00 O ATOM 581 CB LYS A 35 7.623 -0.183 -22.263 1.00 0.00 C ATOM 582 CG LYS A 35 7.545 -1.459 -21.403 1.00 0.00 C ATOM 583 CD LYS A 35 8.899 -2.164 -21.261 1.00 0.00 C ATOM 584 CE LYS A 35 9.294 -2.860 -22.574 1.00 0.00 C ATOM 585 NZ LYS A 35 10.556 -3.624 -22.443 1.00 0.00 N ATOM 0 H LYS A 35 4.884 -0.087 -21.130 1.00 0.00 H new ATOM 0 HA LYS A 35 6.412 1.355 -23.150 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.159 -0.410 -23.184 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.208 0.567 -21.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.169 -1.202 -20.413 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.827 -2.148 -21.848 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.664 -1.439 -20.984 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.849 -2.897 -20.456 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.494 -3.533 -22.882 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.403 -2.114 -23.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.784 -4.076 -23.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.326 -2.979 -22.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.445 -4.354 -21.711 1.00 0.00 H new ATOM 599 N ASN A 36 5.809 -0.546 -24.821 1.00 0.00 N ATOM 600 CA ASN A 36 5.376 -1.591 -25.754 1.00 0.00 C ATOM 601 C ASN A 36 6.275 -2.826 -25.579 1.00 0.00 C ATOM 602 O ASN A 36 7.438 -2.691 -25.190 1.00 0.00 O ATOM 603 CB ASN A 36 5.451 -1.034 -27.189 1.00 0.00 C ATOM 604 CG ASN A 36 5.341 -2.120 -28.254 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.304 -2.394 -28.963 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.204 -2.785 -28.371 1.00 0.00 N ATOM 0 H ASN A 36 6.394 0.170 -25.252 1.00 0.00 H new ATOM 0 HA ASN A 36 4.347 -1.891 -25.554 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.651 -0.308 -27.334 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.393 -0.500 -27.317 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.120 -3.535 -29.057 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.411 -2.547 -27.776 1.00 0.00 H new ATOM 613 N ARG A 37 5.766 -4.018 -25.906 1.00 0.00 N ATOM 614 CA ARG A 37 6.549 -5.243 -26.078 1.00 0.00 C ATOM 615 C ARG A 37 6.493 -5.613 -27.557 1.00 0.00 C ATOM 616 O ARG A 37 5.452 -5.442 -28.194 1.00 0.00 O ATOM 617 CB ARG A 37 5.957 -6.391 -25.242 1.00 0.00 C ATOM 618 CG ARG A 37 6.082 -6.199 -23.721 1.00 0.00 C ATOM 619 CD ARG A 37 5.442 -7.371 -22.955 1.00 0.00 C ATOM 620 NE ARG A 37 6.110 -8.659 -23.221 1.00 0.00 N ATOM 621 CZ ARG A 37 7.145 -9.182 -22.546 1.00 0.00 C ATOM 622 NH1 ARG A 37 7.659 -8.576 -21.480 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.671 -10.332 -22.953 1.00 0.00 N ATOM 0 H ARG A 37 4.768 -4.160 -26.063 1.00 0.00 H new ATOM 0 HA ARG A 37 7.575 -5.080 -25.747 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.903 -6.504 -25.496 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.453 -7.321 -25.521 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.134 -6.115 -23.448 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.601 -5.265 -23.429 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.477 -7.163 -21.886 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.390 -7.448 -23.231 1.00 0.00 H new ATOM 0 HE ARG A 37 5.747 -9.210 -23.999 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.266 -7.692 -21.157 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.446 -8.995 -20.985 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.288 -10.807 -23.770 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.458 -10.740 -22.448 1.00 0.00 H new ATOM 637 N ASP A 38 7.581 -6.171 -28.088 1.00 0.00 N ATOM 638 CA ASP A 38 7.746 -6.442 -29.520 1.00 0.00 C ATOM 639 C ASP A 38 6.661 -7.366 -30.088 1.00 0.00 C ATOM 640 O ASP A 38 6.310 -7.257 -31.264 1.00 0.00 O ATOM 641 CB ASP A 38 9.131 -7.051 -29.768 1.00 0.00 C ATOM 642 CG ASP A 38 9.352 -7.374 -31.256 1.00 0.00 C ATOM 643 OD1 ASP A 38 9.544 -6.435 -32.061 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.379 -8.570 -31.622 1.00 0.00 O ATOM 0 H ASP A 38 8.386 -6.453 -27.528 1.00 0.00 H new ATOM 0 HA ASP A 38 7.648 -5.489 -30.040 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.900 -6.357 -29.428 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.239 -7.961 -29.178 1.00 0.00 H new ATOM 649 N ASP A 39 6.097 -8.248 -29.255 1.00 0.00 N ATOM 650 CA ASP A 39 4.999 -9.145 -29.633 1.00 0.00 C ATOM 651 C ASP A 39 3.733 -8.384 -30.060 1.00 0.00 C ATOM 652 O ASP A 39 2.958 -8.888 -30.875 1.00 0.00 O ATOM 653 CB ASP A 39 4.665 -10.060 -28.448 1.00 0.00 C ATOM 654 CG ASP A 39 3.463 -10.969 -28.755 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.631 -11.982 -29.471 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.355 -10.684 -28.246 1.00 0.00 O ATOM 0 H ASP A 39 6.395 -8.360 -28.286 1.00 0.00 H new ATOM 0 HA ASP A 39 5.333 -9.727 -30.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.533 -10.673 -28.205 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.448 -9.453 -27.569 1.00 0.00 H new ATOM 661 N GLY A 40 3.530 -7.171 -29.535 1.00 0.00 N ATOM 662 CA GLY A 40 2.350 -6.341 -29.760 1.00 0.00 C ATOM 663 C GLY A 40 1.678 -5.947 -28.442 1.00 0.00 C ATOM 664 O GLY A 40 0.894 -4.997 -28.413 1.00 0.00 O ATOM 0 H GLY A 40 4.211 -6.727 -28.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.636 -5.442 -30.306 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.638 -6.881 -30.385 1.00 0.00 H new ATOM 668 N ARG A 41 1.990 -6.660 -27.349 1.00 0.00 N ATOM 669 CA ARG A 41 1.537 -6.316 -26.003 1.00 0.00 C ATOM 670 C ARG A 41 2.004 -4.910 -25.618 1.00 0.00 C ATOM 671 O ARG A 41 2.957 -4.364 -26.176 1.00 0.00 O ATOM 672 CB ARG A 41 2.037 -7.354 -24.969 1.00 0.00 C ATOM 673 CG ARG A 41 1.025 -8.453 -24.609 1.00 0.00 C ATOM 674 CD ARG A 41 0.805 -9.464 -25.737 1.00 0.00 C ATOM 675 NE ARG A 41 -0.284 -10.397 -25.411 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.652 -11.449 -26.150 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.007 -11.773 -27.261 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.691 -12.172 -25.757 1.00 0.00 N ATOM 0 H ARG A 41 2.570 -7.499 -27.381 1.00 0.00 H new ATOM 0 HA ARG A 41 0.447 -6.331 -26.001 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.940 -7.826 -25.358 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.319 -6.828 -24.057 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.372 -8.980 -23.720 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.072 -7.990 -24.354 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.570 -8.936 -26.661 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.725 -10.022 -25.913 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.802 -10.227 -24.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.807 -11.215 -27.561 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.288 -12.579 -27.812 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.193 -11.922 -24.905 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.988 -12.978 -26.306 1.00 0.00 H new ATOM 692 N VAL A 42 1.399 -4.378 -24.569 1.00 0.00 N ATOM 693 CA VAL A 42 1.897 -3.257 -23.795 1.00 0.00 C ATOM 694 C VAL A 42 2.083 -3.794 -22.381 1.00 0.00 C ATOM 695 O VAL A 42 1.361 -4.697 -21.954 1.00 0.00 O ATOM 696 CB VAL A 42 0.901 -2.086 -23.909 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.116 -0.983 -22.863 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.995 -1.471 -25.309 1.00 0.00 C ATOM 0 H VAL A 42 0.509 -4.732 -24.220 1.00 0.00 H new ATOM 0 HA VAL A 42 2.848 -2.856 -24.146 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.088 -2.506 -23.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.377 -0.195 -23.008 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.006 -1.403 -21.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.117 -0.567 -22.974 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.291 -0.643 -25.391 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.008 -1.105 -25.478 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.753 -2.227 -26.056 1.00 0.00 H new ATOM 708 N GLU A 43 3.054 -3.248 -21.661 1.00 0.00 N ATOM 709 CA GLU A 43 3.419 -3.654 -20.320 1.00 0.00 C ATOM 710 C GLU A 43 3.458 -2.390 -19.470 1.00 0.00 C ATOM 711 O GLU A 43 3.924 -1.341 -19.927 1.00 0.00 O ATOM 712 CB GLU A 43 4.776 -4.366 -20.374 1.00 0.00 C ATOM 713 CG GLU A 43 5.205 -4.936 -19.018 1.00 0.00 C ATOM 714 CD GLU A 43 6.602 -5.577 -19.090 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.836 -6.435 -19.971 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.470 -5.232 -18.256 1.00 0.00 O ATOM 0 H GLU A 43 3.628 -2.482 -22.013 1.00 0.00 H new ATOM 0 HA GLU A 43 2.706 -4.353 -19.883 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.728 -5.175 -21.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.534 -3.666 -20.724 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.207 -4.141 -18.272 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.479 -5.680 -18.689 1.00 0.00 H new ATOM 723 N ILE A 44 2.958 -2.488 -18.243 1.00 0.00 N ATOM 724 CA ILE A 44 2.783 -1.385 -17.320 1.00 0.00 C ATOM 725 C ILE A 44 3.274 -1.902 -15.967 1.00 0.00 C ATOM 726 O ILE A 44 3.023 -3.060 -15.624 1.00 0.00 O ATOM 727 CB ILE A 44 1.290 -0.967 -17.244 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.461 -1.202 -18.537 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.213 0.498 -16.781 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.014 -0.795 -18.427 1.00 0.00 C ATOM 0 H ILE A 44 2.652 -3.379 -17.853 1.00 0.00 H new ATOM 0 HA ILE A 44 3.337 -0.501 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 44 0.818 -1.631 -16.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.919 -0.645 -19.354 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.515 -2.258 -18.802 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.169 0.807 -16.723 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.675 0.594 -15.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.740 1.133 -17.493 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.518 -0.993 -19.373 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.492 -1.370 -17.634 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.082 0.268 -18.195 1.00 0.00 H new ATOM 742 N LEU A 45 3.947 -1.072 -15.177 1.00 0.00 N ATOM 743 CA LEU A 45 4.462 -1.468 -13.866 1.00 0.00 C ATOM 744 C LEU A 45 4.441 -0.233 -12.986 1.00 0.00 C ATOM 745 O LEU A 45 4.945 0.801 -13.420 1.00 0.00 O ATOM 746 CB LEU A 45 5.877 -2.043 -14.059 1.00 0.00 C ATOM 747 CG LEU A 45 6.601 -2.485 -12.771 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.707 -3.477 -13.147 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.236 -1.313 -12.006 1.00 0.00 C ATOM 0 H LEU A 45 4.152 -0.104 -15.426 1.00 0.00 H new ATOM 0 HA LEU A 45 3.861 -2.241 -13.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.813 -2.900 -14.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.489 -1.292 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 45 5.854 -2.936 -12.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.229 -3.799 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.266 -4.343 -13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.414 -2.995 -13.823 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.730 -1.688 -11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.968 -0.817 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.461 -0.601 -11.722 1.00 0.00 H new ATOM 761 N ALA A 46 3.869 -0.312 -11.781 1.00 0.00 N ATOM 762 CA ALA A 46 3.802 0.824 -10.871 1.00 0.00 C ATOM 763 C ALA A 46 3.739 0.356 -9.422 1.00 0.00 C ATOM 764 O ALA A 46 3.105 -0.658 -9.126 1.00 0.00 O ATOM 765 CB ALA A 46 2.565 1.676 -11.183 1.00 0.00 C ATOM 0 H ALA A 46 3.443 -1.163 -11.415 1.00 0.00 H new ATOM 0 HA ALA A 46 4.703 1.421 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.524 2.522 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.624 2.042 -12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.667 1.070 -11.065 1.00 0.00 H new ATOM 771 N GLU A 47 4.360 1.112 -8.517 1.00 0.00 N ATOM 772 CA GLU A 47 4.143 0.998 -7.082 1.00 0.00 C ATOM 773 C GLU A 47 2.939 1.882 -6.698 1.00 0.00 C ATOM 774 O GLU A 47 2.691 2.907 -7.348 1.00 0.00 O ATOM 775 CB GLU A 47 5.415 1.368 -6.298 1.00 0.00 C ATOM 776 CG GLU A 47 5.868 2.830 -6.414 1.00 0.00 C ATOM 777 CD GLU A 47 7.153 3.075 -5.613 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.081 3.297 -4.384 1.00 0.00 O ATOM 779 OE2 GLU A 47 8.244 3.015 -6.222 1.00 0.00 O ATOM 0 H GLU A 47 5.038 1.831 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 47 3.917 -0.035 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.249 1.141 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.228 0.727 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.036 3.080 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.079 3.488 -6.051 1.00 0.00 H new ATOM 786 N GLY A 48 2.208 1.533 -5.634 1.00 0.00 N ATOM 787 CA GLY A 48 1.137 2.359 -5.083 1.00 0.00 C ATOM 788 C GLY A 48 0.334 1.631 -4.004 1.00 0.00 C ATOM 789 O GLY A 48 0.590 0.458 -3.732 1.00 0.00 O ATOM 0 H GLY A 48 2.348 0.658 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.564 3.269 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.467 2.664 -5.887 1.00 0.00 H new ATOM 793 N PRO A 49 -0.626 2.299 -3.348 1.00 0.00 N ATOM 794 CA PRO A 49 -1.533 1.639 -2.420 1.00 0.00 C ATOM 795 C PRO A 49 -2.515 0.736 -3.178 1.00 0.00 C ATOM 796 O PRO A 49 -2.820 0.970 -4.350 1.00 0.00 O ATOM 797 CB PRO A 49 -2.219 2.768 -1.646 1.00 0.00 C ATOM 798 CG PRO A 49 -2.175 3.955 -2.608 1.00 0.00 C ATOM 799 CD PRO A 49 -0.910 3.722 -3.438 1.00 0.00 C ATOM 0 HA PRO A 49 -1.019 0.973 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.244 2.506 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.696 2.989 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.064 3.989 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.129 4.902 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.062 4.024 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.077 4.311 -3.053 1.00 0.00 H new ATOM 807 N GLU A 50 -3.036 -0.289 -2.496 1.00 0.00 N ATOM 808 CA GLU A 50 -3.854 -1.340 -3.101 1.00 0.00 C ATOM 809 C GLU A 50 -5.059 -0.756 -3.844 1.00 0.00 C ATOM 810 O GLU A 50 -5.316 -1.135 -4.987 1.00 0.00 O ATOM 811 CB GLU A 50 -4.293 -2.321 -2.001 1.00 0.00 C ATOM 812 CG GLU A 50 -5.045 -3.541 -2.554 1.00 0.00 C ATOM 813 CD GLU A 50 -5.463 -4.501 -1.426 1.00 0.00 C ATOM 814 OE1 GLU A 50 -4.680 -5.407 -1.061 1.00 0.00 O ATOM 815 OE2 GLU A 50 -6.590 -4.368 -0.895 1.00 0.00 O ATOM 0 H GLU A 50 -2.898 -0.412 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.261 -1.873 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.415 -2.660 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.932 -1.799 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.929 -3.209 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.411 -4.069 -3.267 1.00 0.00 H new ATOM 822 N ASN A 51 -5.772 0.195 -3.227 1.00 0.00 N ATOM 823 CA ASN A 51 -6.953 0.800 -3.843 1.00 0.00 C ATOM 824 C ASN A 51 -6.588 1.554 -5.118 1.00 0.00 C ATOM 825 O ASN A 51 -7.319 1.466 -6.105 1.00 0.00 O ATOM 826 CB ASN A 51 -7.660 1.753 -2.870 1.00 0.00 C ATOM 827 CG ASN A 51 -8.844 2.428 -3.558 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.723 3.527 -4.094 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.000 1.786 -3.588 1.00 0.00 N ATOM 0 H ASN A 51 -5.549 0.560 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.632 -0.014 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.005 1.201 -1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.958 2.508 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.803 2.203 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.089 0.874 -3.140 1.00 0.00 H new ATOM 836 N ALA A 52 -5.467 2.283 -5.119 1.00 0.00 N ATOM 837 CA ALA A 52 -5.021 3.025 -6.289 1.00 0.00 C ATOM 838 C ALA A 52 -4.722 2.060 -7.434 1.00 0.00 C ATOM 839 O ALA A 52 -5.197 2.256 -8.553 1.00 0.00 O ATOM 840 CB ALA A 52 -3.780 3.854 -5.944 1.00 0.00 C ATOM 0 H ALA A 52 -4.851 2.371 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.813 3.705 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.454 4.405 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.022 4.556 -5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.980 3.191 -5.614 1.00 0.00 H new ATOM 846 N LEU A 53 -3.965 1.002 -7.135 1.00 0.00 N ATOM 847 CA LEU A 53 -3.552 0.007 -8.115 1.00 0.00 C ATOM 848 C LEU A 53 -4.770 -0.706 -8.699 1.00 0.00 C ATOM 849 O LEU A 53 -4.879 -0.847 -9.914 1.00 0.00 O ATOM 850 CB LEU A 53 -2.601 -1.002 -7.453 1.00 0.00 C ATOM 851 CG LEU A 53 -1.249 -0.409 -7.008 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.583 -1.415 -6.080 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.283 -0.091 -8.151 1.00 0.00 C ATOM 0 H LEU A 53 -3.620 0.814 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.029 0.505 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.098 -1.434 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.413 -1.818 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.467 0.543 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.378 -1.023 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.222 -1.590 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.427 -2.353 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.640 0.321 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.060 -1.004 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.740 0.636 -8.822 1.00 0.00 H new ATOM 865 N GLN A 54 -5.706 -1.133 -7.855 1.00 0.00 N ATOM 866 CA GLN A 54 -6.889 -1.853 -8.300 1.00 0.00 C ATOM 867 C GLN A 54 -7.839 -0.950 -9.089 1.00 0.00 C ATOM 868 O GLN A 54 -8.363 -1.376 -10.117 1.00 0.00 O ATOM 869 CB GLN A 54 -7.584 -2.526 -7.105 1.00 0.00 C ATOM 870 CG GLN A 54 -6.820 -3.778 -6.627 1.00 0.00 C ATOM 871 CD GLN A 54 -6.813 -4.907 -7.670 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.813 -5.180 -8.329 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.696 -5.587 -7.868 1.00 0.00 N ATOM 0 H GLN A 54 -5.663 -0.988 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.574 -2.638 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.665 -1.814 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.600 -2.805 -7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.792 -3.502 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.272 -4.144 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.861 -5.366 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.669 -6.332 -8.564 1.00 0.00 H new ATOM 882 N SER A 55 -8.020 0.306 -8.675 1.00 0.00 N ATOM 883 CA SER A 55 -8.838 1.260 -9.424 1.00 0.00 C ATOM 884 C SER A 55 -8.237 1.498 -10.814 1.00 0.00 C ATOM 885 O SER A 55 -8.963 1.544 -11.811 1.00 0.00 O ATOM 886 CB SER A 55 -8.965 2.580 -8.655 1.00 0.00 C ATOM 887 OG SER A 55 -9.494 2.376 -7.359 1.00 0.00 O ATOM 0 H SER A 55 -7.609 0.686 -7.822 1.00 0.00 H new ATOM 0 HA SER A 55 -9.837 0.841 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.986 3.054 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.608 3.264 -9.208 1.00 0.00 H new ATOM 0 HG SER A 55 -8.760 2.297 -6.715 1.00 0.00 H new ATOM 893 N PHE A 56 -6.906 1.599 -10.898 1.00 0.00 N ATOM 894 CA PHE A 56 -6.201 1.671 -12.165 1.00 0.00 C ATOM 895 C PHE A 56 -6.487 0.418 -13.006 1.00 0.00 C ATOM 896 O PHE A 56 -6.833 0.562 -14.176 1.00 0.00 O ATOM 897 CB PHE A 56 -4.704 1.894 -11.904 1.00 0.00 C ATOM 898 CG PHE A 56 -3.856 1.801 -13.151 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.512 0.533 -13.665 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.439 2.966 -13.819 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.805 0.429 -14.869 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.710 2.853 -15.011 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.412 1.590 -15.546 1.00 0.00 C ATOM 0 H PHE A 56 -6.294 1.633 -10.083 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.558 2.520 -12.748 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.564 2.876 -11.451 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.355 1.157 -11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.795 -0.360 -13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.678 3.939 -13.417 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.564 -0.543 -15.274 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.375 3.744 -15.521 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.878 1.514 -16.482 1.00 0.00 H new ATOM 913 N VAL A 57 -6.395 -0.794 -12.444 1.00 0.00 N ATOM 914 CA VAL A 57 -6.676 -2.024 -13.189 1.00 0.00 C ATOM 915 C VAL A 57 -8.096 -1.971 -13.768 1.00 0.00 C ATOM 916 O VAL A 57 -8.276 -2.308 -14.938 1.00 0.00 O ATOM 917 CB VAL A 57 -6.439 -3.269 -12.297 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.961 -4.575 -12.918 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.946 -3.479 -12.006 1.00 0.00 C ATOM 0 H VAL A 57 -6.127 -0.947 -11.472 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.986 -2.108 -14.029 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.994 -3.057 -11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.762 -5.405 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.035 -4.494 -13.087 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.457 -4.753 -13.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.818 -4.361 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.409 -3.620 -12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.550 -2.605 -11.489 1.00 0.00 H new ATOM 929 N GLU A 58 -9.092 -1.505 -13.006 1.00 0.00 N ATOM 930 CA GLU A 58 -10.455 -1.369 -13.511 1.00 0.00 C ATOM 931 C GLU A 58 -10.513 -0.372 -14.669 1.00 0.00 C ATOM 932 O GLU A 58 -11.174 -0.640 -15.669 1.00 0.00 O ATOM 933 CB GLU A 58 -11.430 -0.960 -12.396 1.00 0.00 C ATOM 934 CG GLU A 58 -11.605 -2.063 -11.349 1.00 0.00 C ATOM 935 CD GLU A 58 -12.698 -1.705 -10.326 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.406 -1.019 -9.320 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.865 -2.121 -10.508 1.00 0.00 O ATOM 0 H GLU A 58 -8.975 -1.216 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.764 -2.346 -13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.065 -0.055 -11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.399 -0.719 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.863 -2.999 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.660 -2.227 -10.831 1.00 0.00 H new ATOM 944 N ALA A 59 -9.792 0.748 -14.566 1.00 0.00 N ATOM 945 CA ALA A 59 -9.719 1.746 -15.631 1.00 0.00 C ATOM 946 C ALA A 59 -9.140 1.153 -16.923 1.00 0.00 C ATOM 947 O ALA A 59 -9.652 1.447 -18.005 1.00 0.00 O ATOM 948 CB ALA A 59 -8.907 2.960 -15.165 1.00 0.00 C ATOM 0 H ALA A 59 -9.243 0.986 -13.740 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.733 2.074 -15.857 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.860 3.696 -15.968 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.385 3.405 -14.292 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.897 2.644 -14.903 1.00 0.00 H new ATOM 954 N VAL A 60 -8.114 0.298 -16.830 1.00 0.00 N ATOM 955 CA VAL A 60 -7.584 -0.408 -17.996 1.00 0.00 C ATOM 956 C VAL A 60 -8.661 -1.362 -18.527 1.00 0.00 C ATOM 957 O VAL A 60 -9.044 -1.282 -19.695 1.00 0.00 O ATOM 958 CB VAL A 60 -6.282 -1.173 -17.653 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.712 -1.849 -18.904 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.186 -0.256 -17.094 1.00 0.00 C ATOM 0 H VAL A 60 -7.636 0.080 -15.956 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.327 0.318 -18.767 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.558 -1.905 -16.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.797 -2.382 -18.645 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.442 -2.554 -19.302 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.490 -1.093 -19.657 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.297 -0.846 -16.871 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.940 0.508 -17.831 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.542 0.222 -16.181 1.00 0.00 H new ATOM 970 N LYS A 61 -9.162 -2.259 -17.669 1.00 0.00 N ATOM 971 CA LYS A 61 -10.045 -3.355 -18.058 1.00 0.00 C ATOM 972 C LYS A 61 -11.334 -2.838 -18.701 1.00 0.00 C ATOM 973 O LYS A 61 -11.822 -3.439 -19.657 1.00 0.00 O ATOM 974 CB LYS A 61 -10.317 -4.218 -16.815 1.00 0.00 C ATOM 975 CG LYS A 61 -11.079 -5.511 -17.142 1.00 0.00 C ATOM 976 CD LYS A 61 -11.196 -6.406 -15.898 1.00 0.00 C ATOM 977 CE LYS A 61 -11.883 -7.749 -16.197 1.00 0.00 C ATOM 978 NZ LYS A 61 -13.322 -7.609 -16.533 1.00 0.00 N ATOM 0 H LYS A 61 -8.959 -2.240 -16.670 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.563 -3.968 -18.820 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.369 -4.471 -16.340 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.891 -3.636 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.074 -5.268 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.564 -6.051 -17.937 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.201 -6.593 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.758 -5.879 -15.127 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.369 -8.236 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.781 -8.403 -15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.727 -8.548 -16.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.824 -7.171 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.425 -7.010 -17.377 1.00 0.00 H new ATOM 992 N ASN A 62 -11.869 -1.719 -18.205 1.00 0.00 N ATOM 993 CA ASN A 62 -13.079 -1.099 -18.736 1.00 0.00 C ATOM 994 C ASN A 62 -12.885 -0.563 -20.159 1.00 0.00 C ATOM 995 O ASN A 62 -13.865 -0.443 -20.894 1.00 0.00 O ATOM 996 CB ASN A 62 -13.529 0.040 -17.811 1.00 0.00 C ATOM 997 CG ASN A 62 -14.845 0.651 -18.285 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.878 -0.014 -18.309 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.848 1.918 -18.660 1.00 0.00 N ATOM 0 H ASN A 62 -11.467 -1.215 -17.415 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.846 -1.872 -18.780 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.646 -0.338 -16.795 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.759 0.811 -17.778 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.715 2.355 -18.974 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.984 2.459 -18.635 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.648 -0.242 -20.565 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.378 0.371 -21.860 1.00 0.00 C ATOM 1008 C GLY A 63 -12.107 1.710 -22.007 1.00 0.00 C ATOM 1009 O GLY A 63 -12.729 1.974 -23.036 1.00 0.00 O ATOM 0 H GLY A 63 -10.813 -0.402 -20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.305 0.525 -21.975 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.690 -0.305 -22.656 1.00 0.00 H new ATOM 1013 N SER A 64 -12.091 2.521 -20.943 1.00 0.00 N ATOM 1014 CA SER A 64 -12.856 3.757 -20.829 1.00 0.00 C ATOM 1015 C SER A 64 -12.709 4.747 -22.006 1.00 0.00 C ATOM 1016 O SER A 64 -13.743 5.248 -22.455 1.00 0.00 O ATOM 1017 CB SER A 64 -12.505 4.434 -19.496 1.00 0.00 C ATOM 1018 OG SER A 64 -12.461 3.476 -18.447 1.00 0.00 O ATOM 0 H SER A 64 -11.527 2.325 -20.116 1.00 0.00 H new ATOM 0 HA SER A 64 -13.906 3.467 -20.864 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.541 4.936 -19.579 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.244 5.201 -19.265 1.00 0.00 H new ATOM 0 HG SER A 64 -12.235 3.923 -17.605 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.499 5.078 -22.509 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.343 6.215 -23.416 1.00 0.00 C ATOM 1026 C PRO A 65 -11.841 5.899 -24.833 1.00 0.00 C ATOM 1027 O PRO A 65 -12.700 6.610 -25.358 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.847 6.558 -23.389 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.178 5.234 -23.029 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.193 4.573 -22.101 1.00 0.00 C ATOM 0 HA PRO A 65 -11.949 7.063 -23.097 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.504 6.930 -24.354 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.627 7.331 -22.653 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.985 4.627 -23.913 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.220 5.389 -22.533 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.150 3.487 -22.186 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.987 4.819 -21.059 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.298 4.842 -25.444 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.591 4.360 -26.794 1.00 0.00 C ATOM 1040 C PHE A 66 -10.816 3.057 -26.984 1.00 0.00 C ATOM 1041 O PHE A 66 -11.380 2.043 -27.396 1.00 0.00 O ATOM 1042 CB PHE A 66 -11.131 5.373 -27.862 1.00 0.00 C ATOM 1043 CG PHE A 66 -11.341 4.893 -29.288 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -12.580 5.095 -29.925 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -10.307 4.222 -29.972 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -12.784 4.634 -31.238 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -10.512 3.758 -31.283 1.00 0.00 C ATOM 1048 CZ PHE A 66 -11.750 3.965 -31.918 1.00 0.00 C ATOM 0 H PHE A 66 -10.598 4.265 -24.978 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.666 4.217 -26.907 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.672 6.309 -27.719 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.073 5.590 -27.713 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.376 5.606 -29.404 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.355 4.064 -29.488 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.735 4.794 -31.724 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.718 3.242 -31.803 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.906 3.611 -32.926 1.00 0.00 H new ATOM 1058 N SER A 67 -9.524 3.089 -26.644 1.00 0.00 N ATOM 1059 CA SER A 67 -8.657 1.933 -26.514 1.00 0.00 C ATOM 1060 C SER A 67 -9.250 0.953 -25.503 1.00 0.00 C ATOM 1061 O SER A 67 -9.888 1.364 -24.528 1.00 0.00 O ATOM 1062 CB SER A 67 -7.249 2.403 -26.110 1.00 0.00 C ATOM 1063 OG SER A 67 -7.240 3.743 -25.619 1.00 0.00 O ATOM 0 H SER A 67 -9.040 3.965 -26.445 1.00 0.00 H new ATOM 0 HA SER A 67 -8.577 1.408 -27.466 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.853 1.736 -25.344 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.584 2.330 -26.971 1.00 0.00 H new ATOM 0 HG SER A 67 -6.325 3.995 -25.374 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.061 -0.346 -25.746 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.683 -1.411 -24.967 1.00 0.00 C ATOM 1071 C LYS A 68 -8.867 -2.682 -25.118 1.00 0.00 C ATOM 1072 O LYS A 68 -8.226 -2.894 -26.149 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.172 -1.600 -25.348 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.571 -1.549 -26.839 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.080 -2.683 -27.752 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.460 -4.098 -27.286 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.927 -4.347 -27.312 1.00 0.00 N ATOM 0 H LYS A 68 -8.464 -0.688 -26.499 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.686 -1.136 -23.912 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.494 -2.564 -24.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.746 -0.834 -24.826 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.659 -1.523 -26.894 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.208 -0.607 -27.251 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.483 -2.525 -28.752 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.995 -2.622 -27.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.962 -4.830 -27.922 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.089 -4.252 -26.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.120 -5.316 -26.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.405 -3.670 -26.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.282 -4.229 -28.282 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.902 -3.536 -24.102 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.164 -4.788 -24.105 1.00 0.00 C ATOM 1093 C VAL A 69 -9.010 -5.887 -24.752 1.00 0.00 C ATOM 1094 O VAL A 69 -10.243 -5.831 -24.738 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.715 -5.140 -22.670 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.761 -4.059 -22.141 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.867 -5.310 -21.666 1.00 0.00 C ATOM 0 H VAL A 69 -9.444 -3.377 -23.253 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.258 -4.688 -24.703 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.221 -6.108 -22.750 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.448 -4.314 -21.128 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.885 -3.999 -22.787 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.272 -3.096 -22.132 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.461 -5.556 -20.685 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.434 -4.381 -21.602 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.524 -6.114 -21.999 1.00 0.00 H new ATOM 1107 N THR A 70 -8.343 -6.913 -25.266 1.00 0.00 N ATOM 1108 CA THR A 70 -8.914 -8.210 -25.609 1.00 0.00 C ATOM 1109 C THR A 70 -8.196 -9.321 -24.819 1.00 0.00 C ATOM 1110 O THR A 70 -8.695 -10.445 -24.742 1.00 0.00 O ATOM 1111 CB THR A 70 -8.851 -8.423 -27.135 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.544 -8.201 -27.636 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.783 -7.458 -27.878 1.00 0.00 C ATOM 0 H THR A 70 -7.344 -6.861 -25.464 1.00 0.00 H new ATOM 0 HA THR A 70 -9.966 -8.246 -25.326 1.00 0.00 H new ATOM 0 HB THR A 70 -9.157 -9.455 -27.304 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.536 -8.345 -28.605 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.712 -7.637 -28.951 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.810 -7.619 -27.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.490 -6.431 -27.662 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.059 -9.007 -24.183 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.298 -9.878 -23.299 1.00 0.00 C ATOM 1123 C ASP A 71 -5.638 -8.983 -22.251 1.00 0.00 C ATOM 1124 O ASP A 71 -5.124 -7.913 -22.586 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.237 -10.630 -24.113 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.246 -11.394 -23.225 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.685 -12.127 -22.311 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.025 -11.305 -23.490 1.00 0.00 O ATOM 0 H ASP A 71 -6.629 -8.087 -24.282 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.938 -10.617 -22.817 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.730 -11.330 -24.787 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.691 -9.921 -24.734 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.678 -9.391 -20.984 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.143 -8.644 -19.854 1.00 0.00 C ATOM 1135 C ILE A 72 -4.664 -9.662 -18.818 1.00 0.00 C ATOM 1136 O ILE A 72 -5.352 -10.652 -18.548 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.195 -7.635 -19.310 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.670 -6.899 -18.052 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.581 -8.258 -19.039 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.429 -5.599 -17.731 1.00 0.00 C ATOM 0 H ILE A 72 -6.098 -10.279 -20.710 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.293 -8.027 -20.146 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.342 -6.911 -20.111 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.738 -7.569 -17.195 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.614 -6.667 -18.192 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.257 -7.491 -18.662 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.981 -8.672 -19.965 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.485 -9.052 -18.299 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.004 -5.141 -16.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.340 -4.909 -18.570 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.481 -5.825 -17.558 1.00 0.00 H new ATOM 1152 N SER A 73 -3.499 -9.397 -18.231 1.00 0.00 N ATOM 1153 CA SER A 73 -2.879 -10.203 -17.192 1.00 0.00 C ATOM 1154 C SER A 73 -2.276 -9.243 -16.168 1.00 0.00 C ATOM 1155 O SER A 73 -1.806 -8.162 -16.532 1.00 0.00 O ATOM 1156 CB SER A 73 -1.789 -11.096 -17.805 1.00 0.00 C ATOM 1157 OG SER A 73 -2.319 -11.954 -18.807 1.00 0.00 O ATOM 0 H SER A 73 -2.941 -8.580 -18.480 1.00 0.00 H new ATOM 0 HA SER A 73 -3.611 -10.853 -16.713 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.006 -10.472 -18.236 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.324 -11.694 -17.021 1.00 0.00 H new ATOM 0 HG SER A 73 -1.600 -12.507 -19.178 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.291 -9.639 -14.896 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.864 -8.813 -13.774 1.00 0.00 C ATOM 1165 C VAL A 74 -1.019 -9.697 -12.853 1.00 0.00 C ATOM 1166 O VAL A 74 -1.302 -10.883 -12.664 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.094 -8.211 -13.046 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.688 -7.232 -11.928 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.051 -7.482 -14.010 1.00 0.00 C ATOM 0 H VAL A 74 -2.609 -10.566 -14.613 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.266 -7.966 -14.111 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.611 -9.065 -12.608 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.583 -6.837 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.081 -7.755 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.113 -6.411 -12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.895 -7.079 -13.450 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.520 -6.667 -14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.415 -8.183 -14.761 1.00 0.00 H new ATOM 1179 N THR A 75 0.000 -9.087 -12.261 1.00 0.00 N ATOM 1180 CA THR A 75 0.807 -9.594 -11.165 1.00 0.00 C ATOM 1181 C THR A 75 0.750 -8.479 -10.115 1.00 0.00 C ATOM 1182 O THR A 75 0.663 -7.301 -10.477 1.00 0.00 O ATOM 1183 CB THR A 75 2.256 -9.845 -11.636 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.337 -10.193 -13.012 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.946 -10.951 -10.838 1.00 0.00 C ATOM 0 H THR A 75 0.303 -8.159 -12.557 1.00 0.00 H new ATOM 0 HA THR A 75 0.447 -10.546 -10.775 1.00 0.00 H new ATOM 0 HB THR A 75 2.763 -8.895 -11.470 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.965 -11.090 -13.145 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.962 -11.088 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.979 -10.673 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.390 -11.882 -10.951 1.00 0.00 H new ATOM 1193 N GLU A 76 0.792 -8.811 -8.828 1.00 0.00 N ATOM 1194 CA GLU A 76 0.675 -7.827 -7.763 1.00 0.00 C ATOM 1195 C GLU A 76 1.692 -8.208 -6.690 1.00 0.00 C ATOM 1196 O GLU A 76 1.819 -9.392 -6.353 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.780 -7.801 -7.262 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.111 -6.503 -6.519 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.582 -6.447 -6.068 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.027 -7.340 -5.310 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.300 -5.506 -6.472 1.00 0.00 O ATOM 0 H GLU A 76 0.908 -9.769 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 76 0.897 -6.812 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.457 -7.916 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.950 -8.650 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.462 -6.410 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.899 -5.652 -7.166 1.00 0.00 H new ATOM 1208 N SER A 77 2.439 -7.226 -6.186 1.00 0.00 N ATOM 1209 CA SER A 77 3.754 -7.427 -5.583 1.00 0.00 C ATOM 1210 C SER A 77 3.954 -6.479 -4.394 1.00 0.00 C ATOM 1211 O SER A 77 3.178 -5.542 -4.205 1.00 0.00 O ATOM 1212 CB SER A 77 4.832 -7.188 -6.657 1.00 0.00 C ATOM 1213 OG SER A 77 4.565 -7.922 -7.844 1.00 0.00 O ATOM 0 H SER A 77 2.140 -6.251 -6.186 1.00 0.00 H new ATOM 0 HA SER A 77 3.833 -8.447 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.883 -6.125 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.807 -7.475 -6.264 1.00 0.00 H new ATOM 0 HG SER A 77 5.268 -7.745 -8.503 1.00 0.00 H new ATOM 1219 N ARG A 78 5.000 -6.707 -3.591 1.00 0.00 N ATOM 1220 CA ARG A 78 5.325 -5.903 -2.403 1.00 0.00 C ATOM 1221 C ARG A 78 6.722 -5.270 -2.509 1.00 0.00 C ATOM 1222 O ARG A 78 7.146 -4.597 -1.572 1.00 0.00 O ATOM 1223 CB ARG A 78 5.221 -6.775 -1.127 1.00 0.00 C ATOM 1224 CG ARG A 78 3.817 -6.922 -0.510 1.00 0.00 C ATOM 1225 CD ARG A 78 2.772 -7.659 -1.355 1.00 0.00 C ATOM 1226 NE ARG A 78 3.222 -9.006 -1.757 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.780 -9.689 -2.819 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.767 -9.224 -3.542 1.00 0.00 N ATOM 1229 NH2 ARG A 78 3.371 -10.824 -3.175 1.00 0.00 N ATOM 0 H ARG A 78 5.658 -7.470 -3.750 1.00 0.00 H new ATOM 0 HA ARG A 78 4.602 -5.090 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.597 -7.771 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.884 -6.355 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.916 -7.444 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.435 -5.925 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.844 -7.743 -0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.550 -7.072 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 78 3.930 -9.454 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.322 -8.342 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.434 -9.749 -4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.164 -11.177 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.032 -11.343 -3.985 1.00 0.00 H new ATOM 1243 N SER A 79 7.457 -5.488 -3.603 1.00 0.00 N ATOM 1244 CA SER A 79 8.859 -5.093 -3.723 1.00 0.00 C ATOM 1245 C SER A 79 9.046 -3.567 -3.714 1.00 0.00 C ATOM 1246 O SER A 79 10.004 -3.074 -3.113 1.00 0.00 O ATOM 1247 CB SER A 79 9.432 -5.699 -5.012 1.00 0.00 C ATOM 1248 OG SER A 79 9.013 -7.051 -5.164 1.00 0.00 O ATOM 0 H SER A 79 7.090 -5.948 -4.436 1.00 0.00 H new ATOM 0 HA SER A 79 9.396 -5.472 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.105 -5.113 -5.871 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.521 -5.651 -4.989 1.00 0.00 H new ATOM 0 HG SER A 79 9.387 -7.418 -5.992 1.00 0.00 H new ATOM 1254 N LEU A 80 8.114 -2.837 -4.343 1.00 0.00 N ATOM 1255 CA LEU A 80 8.219 -1.426 -4.731 1.00 0.00 C ATOM 1256 C LEU A 80 9.431 -1.189 -5.647 1.00 0.00 C ATOM 1257 O LEU A 80 10.209 -2.099 -5.942 1.00 0.00 O ATOM 1258 CB LEU A 80 8.214 -0.441 -3.533 1.00 0.00 C ATOM 1259 CG LEU A 80 7.083 -0.502 -2.483 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.782 -1.148 -2.976 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.550 -1.186 -1.193 1.00 0.00 C ATOM 0 H LEU A 80 7.216 -3.240 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 80 7.311 -1.206 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.156 -0.574 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.219 0.568 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 80 6.845 0.542 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.047 -1.146 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.394 -0.583 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.980 -2.175 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.729 -1.211 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.869 -2.204 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.385 -0.629 -0.768 1.00 0.00 H new ATOM 1273 N GLU A 81 9.595 0.054 -6.108 1.00 0.00 N ATOM 1274 CA GLU A 81 10.678 0.461 -6.999 1.00 0.00 C ATOM 1275 C GLU A 81 11.478 1.625 -6.396 1.00 0.00 C ATOM 1276 O GLU A 81 12.674 1.746 -6.668 1.00 0.00 O ATOM 1277 CB GLU A 81 10.081 0.847 -8.358 1.00 0.00 C ATOM 1278 CG GLU A 81 9.369 -0.309 -9.078 1.00 0.00 C ATOM 1279 CD GLU A 81 10.314 -1.498 -9.365 1.00 0.00 C ATOM 1280 OE1 GLU A 81 11.481 -1.286 -9.765 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.884 -2.664 -9.216 1.00 0.00 O ATOM 0 H GLU A 81 8.965 0.819 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 81 11.371 -0.370 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.373 1.663 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.877 1.225 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.533 -0.652 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.951 0.054 -10.017 1.00 0.00 H new ATOM 1288 N GLY A 82 10.858 2.439 -5.535 1.00 0.00 N ATOM 1289 CA GLY A 82 11.502 3.541 -4.839 1.00 0.00 C ATOM 1290 C GLY A 82 11.465 4.814 -5.682 1.00 0.00 C ATOM 1291 O GLY A 82 12.476 5.516 -5.757 1.00 0.00 O ATOM 0 H GLY A 82 9.870 2.341 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.002 3.716 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.536 3.279 -4.613 1.00 0.00 H new ATOM 1295 N HIS A 83 10.338 5.093 -6.348 1.00 0.00 N ATOM 1296 CA HIS A 83 10.184 6.256 -7.221 1.00 0.00 C ATOM 1297 C HIS A 83 8.853 6.974 -7.010 1.00 0.00 C ATOM 1298 O HIS A 83 7.938 6.452 -6.372 1.00 0.00 O ATOM 1299 CB HIS A 83 10.437 5.889 -8.693 1.00 0.00 C ATOM 1300 CG HIS A 83 9.475 4.950 -9.375 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.606 4.046 -8.803 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.388 4.782 -10.731 1.00 0.00 C ATOM 1303 CE1 HIS A 83 8.030 3.347 -9.793 1.00 0.00 C ATOM 1304 NE2 HIS A 83 8.475 3.759 -10.991 1.00 0.00 N ATOM 0 H HIS A 83 9.502 4.511 -6.294 1.00 0.00 H new ATOM 0 HA HIS A 83 10.952 6.976 -6.938 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.459 6.816 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.432 5.450 -8.759 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.432 3.929 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.933 5.346 -11.474 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.306 2.559 -9.646 1.00 0.00 H new ATOM 1312 N HIS A 84 8.785 8.194 -7.554 1.00 0.00 N ATOM 1313 CA HIS A 84 7.705 9.162 -7.378 1.00 0.00 C ATOM 1314 C HIS A 84 7.431 9.869 -8.721 1.00 0.00 C ATOM 1315 O HIS A 84 7.109 11.060 -8.758 1.00 0.00 O ATOM 1316 CB HIS A 84 8.086 10.154 -6.261 1.00 0.00 C ATOM 1317 CG HIS A 84 8.430 9.505 -4.940 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.682 9.418 -4.371 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.556 8.886 -4.085 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.565 8.766 -3.203 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.282 8.420 -2.979 1.00 0.00 N ATOM 0 H HIS A 84 9.524 8.549 -8.161 1.00 0.00 H new ATOM 0 HA HIS A 84 6.785 8.662 -7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.938 10.747 -6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.257 10.845 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.492 8.776 -4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.386 8.549 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.914 7.921 -2.169 1.00 0.00 H new ATOM 1329 N ARG A 85 7.606 9.150 -9.837 1.00 0.00 N ATOM 1330 CA ARG A 85 7.419 9.643 -11.204 1.00 0.00 C ATOM 1331 C ARG A 85 6.553 8.646 -11.961 1.00 0.00 C ATOM 1332 O ARG A 85 6.460 7.487 -11.557 1.00 0.00 O ATOM 1333 CB ARG A 85 8.775 9.853 -11.911 1.00 0.00 C ATOM 1334 CG ARG A 85 9.617 8.570 -12.036 1.00 0.00 C ATOM 1335 CD ARG A 85 10.849 8.787 -12.920 1.00 0.00 C ATOM 1336 NE ARG A 85 11.755 7.624 -12.883 1.00 0.00 N ATOM 1337 CZ ARG A 85 11.612 6.468 -13.546 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.579 6.261 -14.361 1.00 0.00 N ATOM 1339 NH2 ARG A 85 12.510 5.504 -13.376 1.00 0.00 N ATOM 0 H ARG A 85 7.893 8.172 -9.809 1.00 0.00 H new ATOM 0 HA ARG A 85 6.923 10.613 -11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.596 10.257 -12.907 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.348 10.600 -11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.933 8.243 -11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.004 7.772 -12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.533 8.970 -13.947 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.384 9.677 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 85 12.580 7.708 -12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.877 6.990 -14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.490 5.374 -14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.299 5.647 -12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.410 4.620 -13.876 1.00 0.00 H new ATOM 1353 N PHE A 86 5.954 9.077 -13.063 1.00 0.00 N ATOM 1354 CA PHE A 86 5.072 8.260 -13.878 1.00 0.00 C ATOM 1355 C PHE A 86 5.501 8.497 -15.332 1.00 0.00 C ATOM 1356 O PHE A 86 5.614 9.652 -15.757 1.00 0.00 O ATOM 1357 CB PHE A 86 3.612 8.601 -13.524 1.00 0.00 C ATOM 1358 CG PHE A 86 3.144 9.990 -13.913 1.00 0.00 C ATOM 1359 CD1 PHE A 86 2.587 10.196 -15.186 1.00 0.00 C ATOM 1360 CD2 PHE A 86 3.264 11.072 -13.019 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.159 11.477 -15.577 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.840 12.356 -13.410 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.288 12.559 -14.689 1.00 0.00 C ATOM 0 H PHE A 86 6.072 10.025 -13.421 1.00 0.00 H new ATOM 0 HA PHE A 86 5.142 7.187 -13.699 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.962 7.871 -14.006 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.482 8.483 -12.448 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.487 9.365 -15.869 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.681 10.917 -12.035 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.732 11.629 -16.557 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.938 13.187 -12.727 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.964 13.545 -14.988 1.00 0.00 H new ATOM 1373 N SER A 87 5.869 7.433 -16.053 1.00 0.00 N ATOM 1374 CA SER A 87 6.815 7.534 -17.167 1.00 0.00 C ATOM 1375 C SER A 87 6.457 6.628 -18.357 1.00 0.00 C ATOM 1376 O SER A 87 5.679 5.677 -18.248 1.00 0.00 O ATOM 1377 CB SER A 87 8.221 7.201 -16.636 1.00 0.00 C ATOM 1378 OG SER A 87 8.559 7.969 -15.485 1.00 0.00 O ATOM 0 H SER A 87 5.524 6.488 -15.883 1.00 0.00 H new ATOM 0 HA SER A 87 6.774 8.552 -17.553 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.273 6.140 -16.390 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.956 7.383 -17.420 1.00 0.00 H new ATOM 0 HG SER A 87 9.257 8.616 -15.717 1.00 0.00 H new ATOM 1384 N ILE A 88 7.059 6.909 -19.513 1.00 0.00 N ATOM 1385 CA ILE A 88 6.832 6.196 -20.766 1.00 0.00 C ATOM 1386 C ILE A 88 8.229 5.894 -21.312 1.00 0.00 C ATOM 1387 O ILE A 88 9.023 6.821 -21.496 1.00 0.00 O ATOM 1388 CB ILE A 88 5.973 7.053 -21.733 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.697 7.612 -21.055 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.589 6.193 -22.943 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.750 8.405 -21.965 1.00 0.00 C ATOM 0 H ILE A 88 7.739 7.664 -19.604 1.00 0.00 H new ATOM 0 HA ILE A 88 6.268 5.273 -20.633 1.00 0.00 H new ATOM 0 HB ILE A 88 6.567 7.912 -22.043 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.143 6.778 -20.624 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.000 8.255 -20.229 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.984 6.783 -23.632 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.492 5.856 -23.451 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.017 5.328 -22.608 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.892 8.748 -21.387 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.277 9.265 -22.377 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.407 7.766 -22.778 1.00 0.00 H new ATOM 1403 N VAL A 89 8.565 4.614 -21.496 1.00 0.00 N ATOM 1404 CA VAL A 89 9.933 4.147 -21.611 1.00 0.00 C ATOM 1405 C VAL A 89 10.083 3.115 -22.740 1.00 0.00 C ATOM 1406 O VAL A 89 9.094 2.630 -23.294 1.00 0.00 O ATOM 1407 CB VAL A 89 10.362 3.585 -20.237 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.306 4.636 -19.113 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.608 2.325 -19.785 1.00 0.00 C ATOM 0 H VAL A 89 7.875 3.866 -21.569 1.00 0.00 H new ATOM 0 HA VAL A 89 10.591 4.973 -21.882 1.00 0.00 H new ATOM 0 HB VAL A 89 11.398 3.294 -20.411 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.618 4.181 -18.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.973 5.463 -19.355 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.287 5.009 -19.014 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.980 2.008 -18.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.543 2.545 -19.713 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.765 1.527 -20.511 1.00 0.00 H new