USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1101 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 26 THR OG1 : rot -149:sc= 1.08 USER MOD Set 1.2: A 62 THR OG1 : rot 136:sc= 1.27 USER MOD Set 2.1: A 44 THR OG1 : rot -127:sc= -0.639 USER MOD Set 2.2: A 51 MET CE :methyl -118:sc= -6.06! (180deg=-6.89!) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.0591 K(o=-0.2,f=-3.9!) USER MOD Set 3.2: A 76 MET CE :methyl -167:sc= -0.256 (180deg=-0.431) USER MOD Set 4.1: A 5 THR OG1 : rot -79:sc= -0.639 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.0571 K(o=-0.7,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.041 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0496) USER MOD Single : A 17 SER OG : rot 103:sc= 0.27 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00592) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 36 MET CE :methyl 152:sc=-0.00353 (180deg=-0.359) USER MOD Single : A 38 SER OG : rot -101:sc= -0.0102 USER MOD Single : A 42 ASN : amide:sc= -5.71! C(o=-5.7!,f=-11!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.00037) USER MOD Single : A 60 ASN : amide:sc= -0.896 K(o=-0.9,f=-0.24) USER MOD Single : A 70 THR OG1 : rot 15:sc= 1.11 USER MOD Single : A 71 MET CE :methyl 176:sc= -2.67! (180deg=-2.78!) USER MOD Single : A 72 MET CE :methyl -121:sc= -1.15 (180deg=-2.63) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -6.03! (180deg=-7.52!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 98:sc= 0.166 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 2.04 (180deg=2.04) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=0.0022) USER MOD Single : A 109 MET CE :methyl -112:sc= -5.42! (180deg=-8.57!) USER MOD Single : A 110 THR OG1 : rot 135:sc= 0.936 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -113:sc= -6.4! (180deg=-9.57!) USER MOD Single : A 135 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.096) USER MOD Single : A 137 ASN : amide:sc= -0.12 X(o=-0.12,f=0.31) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -116:sc= -0.886 (180deg=-5.23!) USER MOD Single : A 145 MET CE :methyl 179:sc= -2.23! (180deg=-2.27!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00826) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.239 7.528 -6.486 1.00 7.58 N ATOM 2 CA ALA A 1 14.913 8.860 -7.058 1.00 7.12 C ATOM 3 C ALA A 1 15.309 9.978 -6.101 1.00 6.58 C ATOM 4 O ALA A 1 15.261 9.804 -4.880 1.00 7.05 O ATOM 5 CB ALA A 1 13.429 8.945 -7.383 1.00 7.53 C ATOM 0 H1 ALA A 1 14.472 6.860 -6.703 1.00 7.58 H new ATOM 0 H2 ALA A 1 16.128 7.181 -6.899 1.00 7.58 H new ATOM 0 H3 ALA A 1 15.346 7.610 -5.455 1.00 7.58 H new ATOM 0 HA ALA A 1 15.484 8.983 -7.978 1.00 7.12 H new ATOM 0 HB1 ALA A 1 13.204 9.926 -7.801 1.00 7.53 H new ATOM 0 HB2 ALA A 1 13.171 8.173 -8.108 1.00 7.53 H new ATOM 0 HB3 ALA A 1 12.848 8.797 -6.473 1.00 7.53 H new ATOM 13 N ASP A 2 15.698 11.123 -6.670 1.00 5.87 N ATOM 14 CA ASP A 2 16.109 12.288 -5.882 1.00 5.58 C ATOM 15 C ASP A 2 15.287 13.524 -6.252 1.00 5.24 C ATOM 16 O ASP A 2 14.843 14.264 -5.369 1.00 5.25 O ATOM 17 CB ASP A 2 17.603 12.572 -6.079 1.00 5.55 C ATOM 18 CG ASP A 2 18.488 11.522 -5.432 1.00 5.97 C ATOM 19 OD1 ASP A 2 18.820 10.527 -6.109 1.00 6.14 O ATOM 20 OD2 ASP A 2 18.848 11.697 -4.249 1.00 6.37 O ATOM 0 H ASP A 2 15.737 11.268 -7.679 1.00 5.87 H new ATOM 0 HA ASP A 2 15.928 12.059 -4.832 1.00 5.58 H new ATOM 0 HB2 ASP A 2 17.822 12.619 -7.146 1.00 5.55 H new ATOM 0 HB3 ASP A 2 17.841 13.550 -5.661 1.00 5.55 H new ATOM 25 N GLN A 3 15.090 13.737 -7.562 1.00 5.07 N ATOM 26 CA GLN A 3 14.330 14.871 -8.063 1.00 4.79 C ATOM 27 C GLN A 3 12.887 14.492 -8.333 1.00 4.43 C ATOM 28 O GLN A 3 12.567 13.336 -8.626 1.00 4.50 O ATOM 29 CB GLN A 3 14.992 15.450 -9.321 1.00 5.03 C ATOM 30 CG GLN A 3 14.800 16.953 -9.487 1.00 5.41 C ATOM 31 CD GLN A 3 15.465 17.491 -10.738 1.00 5.73 C ATOM 32 OE1 GLN A 3 16.630 17.889 -10.714 1.00 6.18 O ATOM 33 NE2 GLN A 3 14.726 17.505 -11.842 1.00 5.76 N ATOM 0 H GLN A 3 15.455 13.126 -8.293 1.00 5.07 H new ATOM 0 HA GLN A 3 14.327 15.641 -7.292 1.00 4.79 H new ATOM 0 HB2 GLN A 3 16.059 15.232 -9.291 1.00 5.03 H new ATOM 0 HB3 GLN A 3 14.588 14.944 -10.198 1.00 5.03 H new ATOM 0 HG2 GLN A 3 13.734 17.178 -9.521 1.00 5.41 H new ATOM 0 HG3 GLN A 3 15.206 17.466 -8.615 1.00 5.41 H new ATOM 0 HE21 GLN A 3 13.765 17.165 -11.816 1.00 5.76 H new ATOM 0 HE22 GLN A 3 15.120 17.855 -12.715 1.00 5.76 H new ATOM 42 N LEU A 4 12.034 15.504 -8.225 1.00 4.12 N ATOM 43 CA LEU A 4 10.603 15.351 -8.392 1.00 3.79 C ATOM 44 C LEU A 4 10.042 16.387 -9.366 1.00 3.73 C ATOM 45 O LEU A 4 10.678 17.416 -9.619 1.00 3.87 O ATOM 46 CB LEU A 4 9.976 15.507 -7.011 1.00 3.47 C ATOM 47 CG LEU A 4 8.827 14.545 -6.685 1.00 3.23 C ATOM 48 CD1 LEU A 4 9.356 13.237 -6.111 1.00 3.44 C ATOM 49 CD2 LEU A 4 7.850 15.196 -5.717 1.00 3.02 C ATOM 0 H LEU A 4 12.324 16.460 -8.017 1.00 4.12 H new ATOM 0 HA LEU A 4 10.372 14.374 -8.816 1.00 3.79 H new ATOM 0 HB2 LEU A 4 10.757 15.377 -6.262 1.00 3.47 H new ATOM 0 HB3 LEU A 4 9.608 16.528 -6.914 1.00 3.47 H new ATOM 0 HG LEU A 4 8.301 14.318 -7.612 1.00 3.23 H new ATOM 0 HD11 LEU A 4 8.521 12.573 -5.889 1.00 3.44 H new ATOM 0 HD12 LEU A 4 10.015 12.761 -6.837 1.00 3.44 H new ATOM 0 HD13 LEU A 4 9.912 13.440 -5.196 1.00 3.44 H new ATOM 0 HD21 LEU A 4 7.040 14.501 -5.495 1.00 3.02 H new ATOM 0 HD22 LEU A 4 8.370 15.454 -4.794 1.00 3.02 H new ATOM 0 HD23 LEU A 4 7.439 16.100 -6.167 1.00 3.02 H new ATOM 61 N THR A 5 8.848 16.109 -9.907 1.00 3.61 N ATOM 62 CA THR A 5 8.193 17.016 -10.856 1.00 3.63 C ATOM 63 C THR A 5 7.261 17.987 -10.136 1.00 3.38 C ATOM 64 O THR A 5 6.605 17.620 -9.157 1.00 3.11 O ATOM 65 CB THR A 5 7.387 16.245 -11.924 1.00 3.77 C ATOM 66 OG1 THR A 5 6.569 15.248 -11.300 1.00 3.69 O ATOM 67 CG2 THR A 5 8.310 15.589 -12.943 1.00 4.13 C ATOM 0 H THR A 5 8.317 15.263 -9.703 1.00 3.61 H new ATOM 0 HA THR A 5 8.988 17.574 -11.351 1.00 3.63 H new ATOM 0 HB THR A 5 6.752 16.960 -12.447 1.00 3.77 H new ATOM 0 HG1 THR A 5 7.118 14.468 -11.075 1.00 3.69 H new ATOM 0 HG21 THR A 5 7.714 15.054 -13.682 1.00 4.13 H new ATOM 0 HG22 THR A 5 8.904 16.355 -13.442 1.00 4.13 H new ATOM 0 HG23 THR A 5 8.973 14.889 -12.435 1.00 4.13 H new ATOM 75 N GLU A 6 7.215 19.227 -10.637 1.00 3.50 N ATOM 76 CA GLU A 6 6.374 20.288 -10.062 1.00 3.37 C ATOM 77 C GLU A 6 4.911 20.195 -10.516 1.00 3.33 C ATOM 78 O GLU A 6 4.026 20.769 -9.874 1.00 3.18 O ATOM 79 CB GLU A 6 6.936 21.666 -10.426 1.00 3.63 C ATOM 80 CG GLU A 6 8.203 22.036 -9.669 1.00 3.53 C ATOM 81 CD GLU A 6 8.731 23.405 -10.050 1.00 3.85 C ATOM 82 OE1 GLU A 6 8.330 24.396 -9.405 1.00 3.72 O ATOM 83 OE2 GLU A 6 9.547 23.485 -10.993 1.00 4.59 O ATOM 0 H GLU A 6 7.756 19.524 -11.449 1.00 3.50 H new ATOM 0 HA GLU A 6 6.391 20.151 -8.981 1.00 3.37 H new ATOM 0 HB2 GLU A 6 7.143 21.692 -11.496 1.00 3.63 H new ATOM 0 HB3 GLU A 6 6.174 22.421 -10.231 1.00 3.63 H new ATOM 0 HG2 GLU A 6 8.002 22.014 -8.598 1.00 3.53 H new ATOM 0 HG3 GLU A 6 8.971 21.287 -9.865 1.00 3.53 H new ATOM 90 N GLU A 7 4.666 19.472 -11.621 1.00 3.51 N ATOM 91 CA GLU A 7 3.321 19.322 -12.179 1.00 3.59 C ATOM 92 C GLU A 7 2.474 18.287 -11.444 1.00 3.35 C ATOM 93 O GLU A 7 1.243 18.382 -11.470 1.00 3.38 O ATOM 94 CB GLU A 7 3.387 18.982 -13.671 1.00 3.93 C ATOM 95 CG GLU A 7 3.797 20.153 -14.552 1.00 4.45 C ATOM 96 CD GLU A 7 3.852 19.786 -16.022 1.00 5.14 C ATOM 97 OE1 GLU A 7 4.927 19.354 -16.487 1.00 5.54 O ATOM 98 OE2 GLU A 7 2.818 19.930 -16.709 1.00 5.58 O ATOM 0 H GLU A 7 5.390 18.981 -12.145 1.00 3.51 H new ATOM 0 HA GLU A 7 2.830 20.286 -12.045 1.00 3.59 H new ATOM 0 HB2 GLU A 7 4.094 18.165 -13.817 1.00 3.93 H new ATOM 0 HB3 GLU A 7 2.411 18.620 -13.995 1.00 3.93 H new ATOM 0 HG2 GLU A 7 3.092 20.972 -14.412 1.00 4.45 H new ATOM 0 HG3 GLU A 7 4.775 20.516 -14.235 1.00 4.45 H new ATOM 105 N GLN A 8 3.110 17.292 -10.802 1.00 3.16 N ATOM 106 CA GLN A 8 2.363 16.289 -10.037 1.00 2.96 C ATOM 107 C GLN A 8 1.661 16.965 -8.885 1.00 2.69 C ATOM 108 O GLN A 8 0.527 16.631 -8.556 1.00 2.63 O ATOM 109 CB GLN A 8 3.261 15.146 -9.552 1.00 2.87 C ATOM 110 CG GLN A 8 3.697 14.194 -10.656 1.00 3.23 C ATOM 111 CD GLN A 8 4.473 13.004 -10.126 1.00 3.13 C ATOM 112 OE1 GLN A 8 5.698 13.047 -10.013 1.00 3.27 O ATOM 113 NE2 GLN A 8 3.762 11.932 -9.799 1.00 3.29 N ATOM 0 H GLN A 8 4.122 17.165 -10.799 1.00 3.16 H new ATOM 0 HA GLN A 8 1.621 15.835 -10.694 1.00 2.96 H new ATOM 0 HB2 GLN A 8 4.147 15.569 -9.079 1.00 2.87 H new ATOM 0 HB3 GLN A 8 2.731 14.580 -8.786 1.00 2.87 H new ATOM 0 HG2 GLN A 8 2.818 13.840 -11.194 1.00 3.23 H new ATOM 0 HG3 GLN A 8 4.313 14.734 -11.374 1.00 3.23 H new ATOM 0 HE21 GLN A 8 2.748 11.940 -9.909 1.00 3.29 H new ATOM 0 HE22 GLN A 8 4.230 11.101 -9.438 1.00 3.29 H new ATOM 122 N ILE A 9 2.363 17.919 -8.287 1.00 2.59 N ATOM 123 CA ILE A 9 1.821 18.762 -7.245 1.00 2.41 C ATOM 124 C ILE A 9 0.608 19.501 -7.809 1.00 2.64 C ATOM 125 O ILE A 9 -0.428 19.596 -7.151 1.00 2.55 O ATOM 126 CB ILE A 9 2.918 19.729 -6.753 1.00 2.42 C ATOM 127 CG1 ILE A 9 3.877 18.955 -5.854 1.00 2.20 C ATOM 128 CG2 ILE A 9 2.338 20.951 -6.060 1.00 2.45 C ATOM 129 CD1 ILE A 9 5.039 18.354 -6.608 1.00 2.35 C ATOM 0 H ILE A 9 3.334 18.126 -8.519 1.00 2.59 H new ATOM 0 HA ILE A 9 1.496 18.175 -6.386 1.00 2.41 H new ATOM 0 HB ILE A 9 3.466 20.119 -7.611 1.00 2.42 H new ATOM 0 HG12 ILE A 9 4.259 19.622 -5.081 1.00 2.20 H new ATOM 0 HG13 ILE A 9 3.330 18.160 -5.348 1.00 2.20 H new ATOM 0 HG21 ILE A 9 3.148 21.602 -5.731 1.00 2.45 H new ATOM 0 HG22 ILE A 9 1.696 21.493 -6.755 1.00 2.45 H new ATOM 0 HG23 ILE A 9 1.753 20.636 -5.196 1.00 2.45 H new ATOM 0 HD11 ILE A 9 5.685 17.817 -5.913 1.00 2.35 H new ATOM 0 HD12 ILE A 9 4.664 17.663 -7.363 1.00 2.35 H new ATOM 0 HD13 ILE A 9 5.608 19.148 -7.092 1.00 2.35 H new ATOM 141 N ALA A 10 0.764 20.018 -9.047 1.00 2.97 N ATOM 142 CA ALA A 10 -0.336 20.665 -9.771 1.00 3.26 C ATOM 143 C ALA A 10 -1.508 19.699 -9.924 1.00 3.27 C ATOM 144 O ALA A 10 -2.665 20.121 -10.016 1.00 3.43 O ATOM 145 CB ALA A 10 0.129 21.178 -11.126 1.00 3.61 C ATOM 0 H ALA A 10 1.645 19.996 -9.561 1.00 2.97 H new ATOM 0 HA ALA A 10 -0.671 21.525 -9.191 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -0.706 21.653 -11.641 1.00 3.61 H new ATOM 0 HB2 ALA A 10 0.929 21.905 -10.985 1.00 3.61 H new ATOM 0 HB3 ALA A 10 0.497 20.344 -11.724 1.00 3.61 H new ATOM 151 N GLU A 11 -1.184 18.397 -9.951 1.00 3.14 N ATOM 152 CA GLU A 11 -2.196 17.340 -10.015 1.00 3.18 C ATOM 153 C GLU A 11 -2.705 17.034 -8.618 1.00 2.87 C ATOM 154 O GLU A 11 -3.824 16.548 -8.435 1.00 2.94 O ATOM 155 CB GLU A 11 -1.620 16.063 -10.612 1.00 3.24 C ATOM 156 CG GLU A 11 -1.146 16.194 -12.054 1.00 3.63 C ATOM 157 CD GLU A 11 -0.579 14.899 -12.601 1.00 3.78 C ATOM 158 OE1 GLU A 11 0.642 14.678 -12.458 1.00 4.13 O ATOM 159 OE2 GLU A 11 -1.355 14.105 -13.173 1.00 3.90 O ATOM 0 H GLU A 11 -0.224 18.054 -9.929 1.00 3.14 H new ATOM 0 HA GLU A 11 -3.009 17.693 -10.649 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -0.782 15.736 -9.996 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -2.377 15.281 -10.562 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -1.980 16.514 -12.679 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -0.386 16.973 -12.113 1.00 3.63 H new ATOM 166 N PHE A 12 -1.843 17.307 -7.641 1.00 2.56 N ATOM 167 CA PHE A 12 -2.160 17.103 -6.233 1.00 2.24 C ATOM 168 C PHE A 12 -3.124 18.179 -5.714 1.00 2.30 C ATOM 169 O PHE A 12 -4.006 17.876 -4.905 1.00 2.22 O ATOM 170 CB PHE A 12 -0.875 17.116 -5.397 1.00 1.94 C ATOM 171 CG PHE A 12 0.016 15.892 -5.533 1.00 1.85 C ATOM 172 CD1 PHE A 12 -0.259 14.861 -6.435 1.00 2.28 C ATOM 173 CD2 PHE A 12 1.131 15.762 -4.718 1.00 2.07 C ATOM 174 CE1 PHE A 12 0.550 13.751 -6.500 1.00 2.34 C ATOM 175 CE2 PHE A 12 1.943 14.652 -4.792 1.00 2.03 C ATOM 176 CZ PHE A 12 1.642 13.637 -5.686 1.00 1.90 C ATOM 0 H PHE A 12 -0.906 17.676 -7.805 1.00 2.56 H new ATOM 0 HA PHE A 12 -2.648 16.133 -6.139 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -0.294 17.997 -5.672 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -1.148 17.228 -4.348 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -1.116 14.937 -7.088 1.00 2.28 H new ATOM 0 HD2 PHE A 12 1.367 16.545 -4.013 1.00 2.07 H new ATOM 0 HE1 PHE A 12 0.320 12.962 -7.201 1.00 2.34 H new ATOM 0 HE2 PHE A 12 2.812 14.573 -4.155 1.00 2.03 H new ATOM 0 HZ PHE A 12 2.268 12.759 -5.739 1.00 1.90 H new ATOM 186 N LYS A 13 -2.956 19.439 -6.179 1.00 2.51 N ATOM 187 CA LYS A 13 -3.832 20.539 -5.740 1.00 2.67 C ATOM 188 C LYS A 13 -5.178 20.542 -6.455 1.00 2.96 C ATOM 189 O LYS A 13 -6.136 21.103 -5.929 1.00 3.07 O ATOM 190 CB LYS A 13 -3.167 21.925 -5.849 1.00 2.86 C ATOM 191 CG LYS A 13 -2.298 22.150 -7.090 1.00 3.04 C ATOM 192 CD LYS A 13 -0.855 22.505 -6.714 1.00 2.93 C ATOM 193 CE LYS A 13 -0.702 23.953 -6.242 1.00 3.15 C ATOM 194 NZ LYS A 13 -0.857 24.929 -7.359 1.00 3.58 N ATOM 0 H LYS A 13 -2.234 19.712 -6.846 1.00 2.51 H new ATOM 0 HA LYS A 13 -4.012 20.344 -4.683 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -3.949 22.685 -5.833 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -2.551 22.083 -4.964 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -2.303 21.251 -7.706 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -2.725 22.952 -7.693 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -0.514 21.833 -5.926 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -0.209 22.339 -7.576 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -1.445 24.163 -5.473 1.00 3.15 H new ATOM 0 HE3 LYS A 13 0.278 24.082 -5.782 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -0.580 25.877 -7.033 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -0.250 24.646 -8.154 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -1.849 24.946 -7.670 1.00 3.58 H new ATOM 208 N GLU A 14 -5.270 19.927 -7.648 1.00 3.12 N ATOM 209 CA GLU A 14 -6.558 19.870 -8.356 1.00 3.43 C ATOM 210 C GLU A 14 -7.535 18.938 -7.610 1.00 3.34 C ATOM 211 O GLU A 14 -8.756 19.100 -7.701 1.00 3.56 O ATOM 212 CB GLU A 14 -6.381 19.441 -9.831 1.00 3.67 C ATOM 213 CG GLU A 14 -5.815 18.040 -10.045 1.00 4.07 C ATOM 214 CD GLU A 14 -5.480 17.761 -11.497 1.00 4.36 C ATOM 215 OE1 GLU A 14 -4.382 18.157 -11.941 1.00 4.71 O ATOM 216 OE2 GLU A 14 -6.317 17.147 -12.192 1.00 4.52 O ATOM 0 H GLU A 14 -4.492 19.475 -8.129 1.00 3.12 H new ATOM 0 HA GLU A 14 -6.983 20.874 -8.369 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -7.349 19.502 -10.328 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -5.724 20.158 -10.323 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -4.917 17.919 -9.439 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -6.538 17.303 -9.695 1.00 4.07 H new ATOM 223 N ALA A 15 -6.962 17.967 -6.877 1.00 3.04 N ATOM 224 CA ALA A 15 -7.736 16.999 -6.095 1.00 2.97 C ATOM 225 C ALA A 15 -8.033 17.492 -4.684 1.00 2.76 C ATOM 226 O ALA A 15 -9.197 17.609 -4.303 1.00 2.91 O ATOM 227 CB ALA A 15 -7.005 15.651 -6.038 1.00 2.84 C ATOM 0 H ALA A 15 -5.953 17.835 -6.813 1.00 3.04 H new ATOM 0 HA ALA A 15 -8.693 16.874 -6.602 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -7.593 14.943 -5.454 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -6.873 15.266 -7.049 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -6.029 15.786 -5.571 1.00 2.84 H new ATOM 233 N PHE A 16 -6.973 17.763 -3.906 1.00 2.45 N ATOM 234 CA PHE A 16 -7.105 18.247 -2.523 1.00 2.28 C ATOM 235 C PHE A 16 -8.069 19.426 -2.448 1.00 2.56 C ATOM 236 O PHE A 16 -8.905 19.506 -1.549 1.00 2.60 O ATOM 237 CB PHE A 16 -5.730 18.679 -2.002 1.00 2.02 C ATOM 238 CG PHE A 16 -5.642 18.964 -0.516 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.877 18.144 0.302 1.00 2.18 C ATOM 240 CD2 PHE A 16 -6.288 20.062 0.054 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.754 18.398 1.644 1.00 2.21 C ATOM 242 CE2 PHE A 16 -6.168 20.313 1.410 1.00 2.07 C ATOM 243 CZ PHE A 16 -5.396 19.475 2.201 1.00 1.79 C ATOM 0 H PHE A 16 -6.007 17.654 -4.215 1.00 2.45 H new ATOM 0 HA PHE A 16 -7.500 17.438 -1.909 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -5.010 17.898 -2.245 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -5.424 19.575 -2.542 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -4.370 17.292 -0.126 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -6.883 20.718 -0.564 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -4.151 17.750 2.263 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -6.674 21.159 1.851 1.00 2.07 H new ATOM 0 HZ PHE A 16 -5.300 19.671 3.259 1.00 1.79 H new ATOM 253 N SER A 17 -7.943 20.320 -3.421 1.00 2.80 N ATOM 254 CA SER A 17 -8.760 21.507 -3.485 1.00 3.11 C ATOM 255 C SER A 17 -10.208 21.214 -3.845 1.00 3.36 C ATOM 256 O SER A 17 -11.082 22.052 -3.605 1.00 3.59 O ATOM 257 CB SER A 17 -8.174 22.510 -4.469 1.00 3.33 C ATOM 258 OG SER A 17 -6.953 23.046 -3.990 1.00 3.30 O ATOM 0 H SER A 17 -7.270 20.235 -4.183 1.00 2.80 H new ATOM 0 HA SER A 17 -8.759 21.934 -2.482 1.00 3.11 H new ATOM 0 HB2 SER A 17 -8.008 22.025 -5.431 1.00 3.33 H new ATOM 0 HB3 SER A 17 -8.887 23.317 -4.637 1.00 3.33 H new ATOM 0 HG SER A 17 -6.204 22.621 -4.457 1.00 3.30 H new ATOM 264 N LEU A 18 -10.474 20.036 -4.431 1.00 3.35 N ATOM 265 CA LEU A 18 -11.831 19.680 -4.798 1.00 3.63 C ATOM 266 C LEU A 18 -12.647 19.392 -3.541 1.00 3.56 C ATOM 267 O LEU A 18 -13.882 19.386 -3.547 1.00 3.81 O ATOM 268 CB LEU A 18 -11.830 18.517 -5.798 1.00 3.72 C ATOM 269 CG LEU A 18 -11.959 17.130 -5.192 1.00 3.54 C ATOM 270 CD1 LEU A 18 -13.419 16.703 -5.104 1.00 3.79 C ATOM 271 CD2 LEU A 18 -11.150 16.097 -5.964 1.00 3.53 C ATOM 0 H LEU A 18 -9.771 19.331 -4.653 1.00 3.35 H new ATOM 0 HA LEU A 18 -12.311 20.517 -5.305 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -12.650 18.665 -6.500 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -10.906 18.558 -6.374 1.00 3.72 H new ATOM 0 HG LEU A 18 -11.552 17.184 -4.182 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -13.481 15.707 -4.667 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -13.967 17.408 -4.479 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -13.855 16.688 -6.103 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -11.270 15.119 -5.498 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -11.504 16.054 -6.994 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -10.097 16.378 -5.953 1.00 3.53 H new ATOM 283 N PHE A 19 -11.895 19.157 -2.487 1.00 3.24 N ATOM 284 CA PHE A 19 -12.427 18.890 -1.157 1.00 3.16 C ATOM 285 C PHE A 19 -12.000 20.013 -0.212 1.00 3.11 C ATOM 286 O PHE A 19 -12.235 19.947 0.999 1.00 3.07 O ATOM 287 CB PHE A 19 -11.887 17.559 -0.622 1.00 2.89 C ATOM 288 CG PHE A 19 -12.170 16.347 -1.480 1.00 3.01 C ATOM 289 CD1 PHE A 19 -11.137 15.711 -2.152 1.00 3.31 C ATOM 290 CD2 PHE A 19 -13.457 15.837 -1.602 1.00 3.27 C ATOM 291 CE1 PHE A 19 -11.379 14.593 -2.926 1.00 3.50 C ATOM 292 CE2 PHE A 19 -13.703 14.720 -2.379 1.00 3.41 C ATOM 293 CZ PHE A 19 -12.662 14.097 -3.041 1.00 3.37 C ATOM 0 H PHE A 19 -10.876 19.145 -2.526 1.00 3.24 H new ATOM 0 HA PHE A 19 -13.514 18.836 -1.216 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -10.808 17.649 -0.497 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -12.310 17.388 0.368 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -10.131 16.095 -2.069 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -14.274 16.318 -1.084 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -10.564 14.107 -3.441 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -14.708 14.335 -2.469 1.00 3.41 H new ATOM 0 HZ PHE A 19 -12.852 13.224 -3.647 1.00 3.37 H new ATOM 303 N ALA A 20 -11.370 21.050 -0.793 1.00 3.18 N ATOM 304 CA ALA A 20 -10.843 22.211 -0.028 1.00 3.22 C ATOM 305 C ALA A 20 -11.856 22.851 0.935 1.00 3.51 C ATOM 306 O ALA A 20 -13.021 23.059 0.586 1.00 3.80 O ATOM 307 CB ALA A 20 -10.308 23.276 -0.974 1.00 3.38 C ATOM 0 H ALA A 20 -11.209 21.114 -1.798 1.00 3.18 H new ATOM 0 HA ALA A 20 -10.042 21.805 0.589 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -9.927 24.118 -0.396 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -9.503 22.856 -1.577 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -11.110 23.618 -1.627 1.00 3.38 H new ATOM 313 N LYS A 21 -11.370 23.152 2.150 1.00 3.61 N ATOM 314 CA LYS A 21 -12.170 23.788 3.204 1.00 3.95 C ATOM 315 C LYS A 21 -11.996 25.315 3.188 1.00 3.96 C ATOM 316 O LYS A 21 -11.151 25.842 2.458 1.00 4.13 O ATOM 317 CB LYS A 21 -11.756 23.225 4.576 1.00 4.48 C ATOM 318 CG LYS A 21 -12.679 22.144 5.133 1.00 5.04 C ATOM 319 CD LYS A 21 -12.510 20.809 4.411 1.00 4.99 C ATOM 320 CE LYS A 21 -13.724 20.487 3.557 1.00 5.12 C ATOM 321 NZ LYS A 21 -14.895 20.062 4.376 1.00 5.47 N ATOM 0 H LYS A 21 -10.408 22.960 2.428 1.00 3.61 H new ATOM 0 HA LYS A 21 -13.221 23.567 3.019 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -10.749 22.816 4.496 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -11.710 24.047 5.291 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -12.476 22.008 6.195 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -13.714 22.473 5.046 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -11.620 20.843 3.783 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -12.355 20.015 5.141 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -13.994 21.364 2.968 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -13.470 19.695 2.852 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -15.699 19.853 3.750 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -14.648 19.210 4.919 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -15.156 20.826 5.031 1.00 5.47 H new ATOM 335 N ASP A 22 -12.805 26.013 4.002 1.00 4.12 N ATOM 336 CA ASP A 22 -12.770 27.472 4.098 1.00 4.45 C ATOM 337 C ASP A 22 -11.735 27.981 5.115 1.00 4.42 C ATOM 338 O ASP A 22 -11.316 29.140 5.040 1.00 4.77 O ATOM 339 CB ASP A 22 -14.156 28.012 4.463 1.00 4.96 C ATOM 340 CG ASP A 22 -15.155 27.875 3.328 1.00 5.21 C ATOM 341 OD1 ASP A 22 -15.833 26.829 3.258 1.00 5.70 O ATOM 342 OD2 ASP A 22 -15.257 28.814 2.511 1.00 5.20 O ATOM 0 H ASP A 22 -13.499 25.577 4.609 1.00 4.12 H new ATOM 0 HA ASP A 22 -12.469 27.841 3.117 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -14.530 27.480 5.337 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -14.071 29.062 4.742 1.00 4.96 H new ATOM 347 N GLY A 23 -11.328 27.113 6.060 1.00 4.20 N ATOM 348 CA GLY A 23 -10.356 27.493 7.092 1.00 4.32 C ATOM 349 C GLY A 23 -8.934 27.644 6.565 1.00 4.21 C ATOM 350 O GLY A 23 -8.672 28.513 5.729 1.00 4.37 O ATOM 0 H GLY A 23 -11.657 26.150 6.127 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -10.669 28.434 7.545 1.00 4.32 H new ATOM 0 HA3 GLY A 23 -10.364 26.741 7.881 1.00 4.32 H new ATOM 354 N ASP A 24 -8.021 26.792 7.060 1.00 3.98 N ATOM 355 CA ASP A 24 -6.604 26.813 6.643 1.00 3.89 C ATOM 356 C ASP A 24 -6.424 26.236 5.231 1.00 3.62 C ATOM 357 O ASP A 24 -5.356 26.366 4.624 1.00 3.56 O ATOM 358 CB ASP A 24 -5.744 26.027 7.639 1.00 3.77 C ATOM 359 CG ASP A 24 -5.616 26.727 8.979 1.00 4.13 C ATOM 360 OD1 ASP A 24 -6.462 26.475 9.863 1.00 4.50 O ATOM 361 OD2 ASP A 24 -4.669 27.525 9.144 1.00 4.32 O ATOM 0 H ASP A 24 -8.238 26.076 7.753 1.00 3.98 H new ATOM 0 HA ASP A 24 -6.280 27.854 6.628 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -6.180 25.039 7.789 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -4.751 25.876 7.216 1.00 3.77 H new ATOM 366 N GLY A 25 -7.491 25.602 4.731 1.00 3.50 N ATOM 367 CA GLY A 25 -7.497 25.009 3.400 1.00 3.30 C ATOM 368 C GLY A 25 -7.070 23.575 3.483 1.00 2.90 C ATOM 369 O GLY A 25 -6.111 23.146 2.833 1.00 2.69 O ATOM 0 H GLY A 25 -8.368 25.489 5.239 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -8.495 25.077 2.966 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -6.825 25.561 2.743 1.00 3.30 H new ATOM 373 N THR A 26 -7.817 22.847 4.307 1.00 2.85 N ATOM 374 CA THR A 26 -7.546 21.455 4.584 1.00 2.53 C ATOM 375 C THR A 26 -8.612 20.515 4.014 1.00 2.45 C ATOM 376 O THR A 26 -9.600 20.967 3.427 1.00 2.66 O ATOM 377 CB THR A 26 -7.448 21.224 6.096 1.00 2.59 C ATOM 378 OG1 THR A 26 -8.682 21.540 6.752 1.00 2.84 O ATOM 379 CG2 THR A 26 -6.335 22.049 6.668 1.00 2.74 C ATOM 0 H THR A 26 -8.630 23.215 4.800 1.00 2.85 H new ATOM 0 HA THR A 26 -6.599 21.225 4.096 1.00 2.53 H new ATOM 0 HB THR A 26 -7.239 20.168 6.265 1.00 2.59 H new ATOM 0 HG1 THR A 26 -8.497 21.863 7.659 1.00 2.84 H new ATOM 0 HG21 THR A 26 -6.272 21.879 7.743 1.00 2.74 H new ATOM 0 HG22 THR A 26 -5.393 21.764 6.200 1.00 2.74 H new ATOM 0 HG23 THR A 26 -6.530 23.105 6.478 1.00 2.74 H new ATOM 387 N ILE A 27 -8.395 19.198 4.200 1.00 2.21 N ATOM 388 CA ILE A 27 -9.339 18.163 3.730 1.00 2.22 C ATOM 389 C ILE A 27 -9.330 16.977 4.699 1.00 2.15 C ATOM 390 O ILE A 27 -8.703 17.043 5.745 1.00 2.13 O ATOM 391 CB ILE A 27 -9.064 17.669 2.269 1.00 2.13 C ATOM 392 CG1 ILE A 27 -7.706 16.955 2.174 1.00 1.82 C ATOM 393 CG2 ILE A 27 -9.180 18.824 1.277 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.520 16.153 0.901 1.00 1.79 C ATOM 0 H ILE A 27 -7.572 18.825 4.674 1.00 2.21 H new ATOM 0 HA ILE A 27 -10.324 18.630 3.708 1.00 2.22 H new ATOM 0 HB ILE A 27 -9.826 16.937 2.002 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -6.911 17.697 2.243 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.596 16.289 3.030 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -8.985 18.459 0.269 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -10.185 19.244 1.323 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -8.453 19.595 1.530 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.538 15.680 0.909 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.292 15.386 0.838 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -7.596 16.816 0.039 1.00 1.79 H new ATOM 406 N THR A 28 -10.047 15.918 4.361 1.00 2.23 N ATOM 407 CA THR A 28 -10.105 14.721 5.203 1.00 2.29 C ATOM 408 C THR A 28 -9.291 13.593 4.557 1.00 2.17 C ATOM 409 O THR A 28 -8.849 13.710 3.409 1.00 2.04 O ATOM 410 CB THR A 28 -11.578 14.294 5.530 1.00 2.57 C ATOM 411 OG1 THR A 28 -11.648 12.928 5.965 1.00 2.86 O ATOM 412 CG2 THR A 28 -12.516 14.499 4.345 1.00 3.10 C ATOM 0 H THR A 28 -10.601 15.857 3.507 1.00 2.23 H new ATOM 0 HA THR A 28 -9.653 14.954 6.167 1.00 2.29 H new ATOM 0 HB THR A 28 -11.906 14.943 6.342 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.579 12.695 6.162 1.00 2.86 H new ATOM 0 HG21 THR A 28 -13.524 14.189 4.621 1.00 3.10 H new ATOM 0 HG22 THR A 28 -12.524 15.553 4.065 1.00 3.10 H new ATOM 0 HG23 THR A 28 -12.171 13.902 3.501 1.00 3.10 H new ATOM 420 N THR A 29 -9.109 12.508 5.307 1.00 2.30 N ATOM 421 CA THR A 29 -8.285 11.375 4.884 1.00 2.30 C ATOM 422 C THR A 29 -8.876 10.490 3.787 1.00 2.50 C ATOM 423 O THR A 29 -8.182 10.168 2.819 1.00 2.44 O ATOM 424 CB THR A 29 -7.924 10.506 6.073 1.00 2.48 C ATOM 425 OG1 THR A 29 -9.082 10.224 6.871 1.00 2.75 O ATOM 426 CG2 THR A 29 -6.873 11.222 6.889 1.00 2.32 C ATOM 0 H THR A 29 -9.530 12.388 6.228 1.00 2.30 H new ATOM 0 HA THR A 29 -7.404 11.843 4.444 1.00 2.30 H new ATOM 0 HB THR A 29 -7.531 9.552 5.723 1.00 2.48 H new ATOM 0 HG1 THR A 29 -8.826 9.661 7.631 1.00 2.75 H new ATOM 0 HG21 THR A 29 -6.601 10.610 7.749 1.00 2.32 H new ATOM 0 HG22 THR A 29 -5.990 11.395 6.274 1.00 2.32 H new ATOM 0 HG23 THR A 29 -7.268 12.178 7.233 1.00 2.32 H new ATOM 434 N LYS A 30 -10.138 10.080 3.945 1.00 2.77 N ATOM 435 CA LYS A 30 -10.813 9.208 2.962 1.00 3.04 C ATOM 436 C LYS A 30 -10.730 9.765 1.531 1.00 2.98 C ATOM 437 O LYS A 30 -10.487 9.016 0.581 1.00 3.14 O ATOM 438 CB LYS A 30 -12.283 8.994 3.357 1.00 3.33 C ATOM 439 CG LYS A 30 -12.486 8.080 4.566 1.00 3.42 C ATOM 440 CD LYS A 30 -12.396 8.845 5.883 1.00 3.38 C ATOM 441 CE LYS A 30 -12.640 7.938 7.081 1.00 3.68 C ATOM 442 NZ LYS A 30 -14.074 7.553 7.214 1.00 3.70 N ATOM 0 H LYS A 30 -10.719 10.335 4.744 1.00 2.77 H new ATOM 0 HA LYS A 30 -10.289 8.252 2.972 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -12.734 9.963 3.570 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -12.818 8.574 2.505 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -13.460 7.595 4.494 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -11.735 7.290 4.554 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -11.412 9.305 5.970 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -13.127 9.654 5.884 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -12.032 7.039 6.983 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -12.316 8.445 7.990 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -14.201 6.978 8.071 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -14.659 8.410 7.283 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -14.364 7.002 6.381 1.00 3.70 H new ATOM 456 N GLU A 31 -10.936 11.079 1.402 1.00 2.81 N ATOM 457 CA GLU A 31 -10.894 11.764 0.104 1.00 2.81 C ATOM 458 C GLU A 31 -9.494 12.277 -0.274 1.00 2.52 C ATOM 459 O GLU A 31 -9.303 12.719 -1.413 1.00 2.57 O ATOM 460 CB GLU A 31 -11.902 12.923 0.094 1.00 2.89 C ATOM 461 CG GLU A 31 -13.364 12.479 0.072 1.00 3.24 C ATOM 462 CD GLU A 31 -13.896 12.105 1.444 1.00 3.22 C ATOM 463 OE1 GLU A 31 -14.022 10.895 1.721 1.00 3.26 O ATOM 464 OE2 GLU A 31 -14.189 13.023 2.238 1.00 3.60 O ATOM 0 H GLU A 31 -11.136 11.696 2.189 1.00 2.81 H new ATOM 0 HA GLU A 31 -11.163 11.023 -0.649 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.735 13.543 0.975 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.711 13.549 -0.777 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -13.975 13.282 -0.341 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -13.467 11.624 -0.596 1.00 3.24 H new ATOM 471 N LEU A 32 -8.507 12.223 0.651 1.00 2.26 N ATOM 472 CA LEU A 32 -7.153 12.714 0.325 1.00 1.98 C ATOM 473 C LEU A 32 -6.397 11.759 -0.570 1.00 2.07 C ATOM 474 O LEU A 32 -5.631 12.185 -1.430 1.00 1.98 O ATOM 475 CB LEU A 32 -6.318 13.079 1.556 1.00 1.69 C ATOM 476 CG LEU A 32 -5.939 12.014 2.596 1.00 1.74 C ATOM 477 CD1 LEU A 32 -4.837 11.063 2.143 1.00 1.76 C ATOM 478 CD2 LEU A 32 -5.446 12.758 3.787 1.00 1.59 C ATOM 0 H LEU A 32 -8.618 11.857 1.597 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.317 13.640 -0.226 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.388 13.517 1.193 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -6.856 13.866 2.085 1.00 1.69 H new ATOM 0 HG LEU A 32 -6.816 11.395 2.785 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -4.630 10.343 2.935 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -5.159 10.534 1.246 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -3.933 11.631 1.924 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -5.160 12.050 4.565 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -4.581 13.360 3.508 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -6.236 13.409 4.162 1.00 1.59 H new ATOM 490 N GLY A 33 -6.586 10.467 -0.336 1.00 2.31 N ATOM 491 CA GLY A 33 -5.965 9.463 -1.185 1.00 2.52 C ATOM 492 C GLY A 33 -6.496 9.548 -2.583 1.00 2.75 C ATOM 493 O GLY A 33 -5.904 9.015 -3.511 1.00 2.91 O ATOM 0 H GLY A 33 -7.156 10.095 0.424 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -4.884 9.604 -1.192 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -6.154 8.469 -0.779 1.00 2.52 H new ATOM 497 N THR A 34 -7.658 10.204 -2.708 1.00 2.81 N ATOM 498 CA THR A 34 -8.279 10.445 -3.994 1.00 3.07 C ATOM 499 C THR A 34 -7.426 11.433 -4.766 1.00 2.93 C ATOM 500 O THR A 34 -7.531 11.585 -5.986 1.00 3.16 O ATOM 501 CB THR A 34 -9.761 10.899 -3.875 1.00 3.23 C ATOM 502 OG1 THR A 34 -10.432 10.103 -2.890 1.00 3.30 O ATOM 503 CG2 THR A 34 -10.502 10.768 -5.205 1.00 3.60 C ATOM 0 H THR A 34 -8.183 10.577 -1.917 1.00 2.81 H new ATOM 0 HA THR A 34 -8.325 9.505 -4.545 1.00 3.07 H new ATOM 0 HB THR A 34 -9.761 11.949 -3.583 1.00 3.23 H new ATOM 0 HG1 THR A 34 -11.365 10.392 -2.816 1.00 3.30 H new ATOM 0 HG21 THR A 34 -11.534 11.095 -5.080 1.00 3.60 H new ATOM 0 HG22 THR A 34 -10.013 11.388 -5.956 1.00 3.60 H new ATOM 0 HG23 THR A 34 -10.488 9.727 -5.528 1.00 3.60 H new ATOM 511 N VAL A 35 -6.587 12.088 -3.985 1.00 2.56 N ATOM 512 CA VAL A 35 -5.572 13.004 -4.492 1.00 2.39 C ATOM 513 C VAL A 35 -4.425 12.129 -4.941 1.00 2.44 C ATOM 514 O VAL A 35 -3.791 12.418 -5.950 1.00 2.53 O ATOM 515 CB VAL A 35 -4.968 14.022 -3.459 1.00 2.01 C ATOM 516 CG1 VAL A 35 -3.927 14.930 -4.120 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.010 14.889 -2.783 1.00 2.02 C ATOM 0 H VAL A 35 -6.588 12.001 -2.969 1.00 2.56 H new ATOM 0 HA VAL A 35 -6.056 13.609 -5.258 1.00 2.39 H new ATOM 0 HB VAL A 35 -4.500 13.405 -2.692 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -3.527 15.624 -3.380 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -3.117 14.322 -4.523 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -4.395 15.492 -4.928 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.521 15.567 -2.084 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -6.545 15.468 -3.536 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -6.715 14.257 -2.243 1.00 2.02 H new ATOM 527 N MET A 36 -4.165 11.046 -4.168 1.00 2.44 N ATOM 528 CA MET A 36 -3.067 10.162 -4.504 1.00 2.55 C ATOM 529 C MET A 36 -3.451 9.138 -5.573 1.00 2.97 C ATOM 530 O MET A 36 -2.671 8.884 -6.496 1.00 3.11 O ATOM 531 CB MET A 36 -2.518 9.412 -3.281 1.00 2.49 C ATOM 532 CG MET A 36 -2.137 10.303 -2.103 1.00 2.24 C ATOM 533 SD MET A 36 -1.315 9.399 -0.778 1.00 2.48 S ATOM 534 CE MET A 36 -1.019 10.717 0.398 1.00 1.96 C ATOM 0 H MET A 36 -4.694 10.785 -3.336 1.00 2.44 H new ATOM 0 HA MET A 36 -2.289 10.816 -4.897 1.00 2.55 H new ATOM 0 HB2 MET A 36 -3.266 8.693 -2.947 1.00 2.49 H new ATOM 0 HB3 MET A 36 -1.641 8.841 -3.586 1.00 2.49 H new ATOM 0 HG2 MET A 36 -1.481 11.100 -2.454 1.00 2.24 H new ATOM 0 HG3 MET A 36 -3.035 10.779 -1.709 1.00 2.24 H new ATOM 0 HE1 MET A 36 -0.994 10.305 1.407 1.00 1.96 H new ATOM 0 HE2 MET A 36 -0.064 11.194 0.177 1.00 1.96 H new ATOM 0 HE3 MET A 36 -1.818 11.455 0.327 1.00 1.96 H new ATOM 544 N ARG A 37 -4.673 8.576 -5.462 1.00 3.18 N ATOM 545 CA ARG A 37 -5.140 7.524 -6.342 1.00 3.60 C ATOM 546 C ARG A 37 -5.365 8.021 -7.785 1.00 3.77 C ATOM 547 O ARG A 37 -5.387 7.226 -8.730 1.00 4.10 O ATOM 548 CB ARG A 37 -6.427 6.934 -5.714 1.00 3.78 C ATOM 549 CG ARG A 37 -7.584 6.680 -6.670 1.00 4.18 C ATOM 550 CD ARG A 37 -7.415 5.366 -7.420 1.00 4.52 C ATOM 551 NE ARG A 37 -7.855 4.214 -6.626 1.00 4.90 N ATOM 552 CZ ARG A 37 -7.893 2.949 -7.070 1.00 5.36 C ATOM 553 NH1 ARG A 37 -7.519 2.643 -8.312 1.00 5.45 N ATOM 554 NH2 ARG A 37 -8.310 1.984 -6.262 1.00 5.91 N ATOM 0 H ARG A 37 -5.353 8.851 -4.753 1.00 3.18 H new ATOM 0 HA ARG A 37 -4.379 6.748 -6.432 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -6.171 5.993 -5.228 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -6.770 7.613 -4.933 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -8.520 6.663 -6.112 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -7.653 7.501 -7.384 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -7.985 5.404 -8.349 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -6.368 5.238 -7.693 1.00 4.52 H new ATOM 0 HE ARG A 37 -8.154 4.388 -5.666 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -7.197 3.377 -8.943 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -7.555 1.675 -8.632 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -8.599 2.206 -5.309 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -8.342 1.020 -6.593 1.00 5.91 H new ATOM 568 N SER A 38 -5.514 9.338 -7.926 1.00 3.57 N ATOM 569 CA SER A 38 -5.770 9.983 -9.223 1.00 3.76 C ATOM 570 C SER A 38 -4.547 9.986 -10.152 1.00 3.81 C ATOM 571 O SER A 38 -4.688 10.243 -11.352 1.00 4.08 O ATOM 572 CB SER A 38 -6.255 11.418 -9.002 1.00 3.59 C ATOM 573 OG SER A 38 -5.343 12.152 -8.201 1.00 3.89 O ATOM 0 H SER A 38 -5.461 9.993 -7.146 1.00 3.57 H new ATOM 0 HA SER A 38 -6.540 9.393 -9.719 1.00 3.76 H new ATOM 0 HB2 SER A 38 -6.379 11.915 -9.964 1.00 3.59 H new ATOM 0 HB3 SER A 38 -7.234 11.404 -8.523 1.00 3.59 H new ATOM 0 HG SER A 38 -5.678 12.196 -7.281 1.00 3.89 H new ATOM 579 N LEU A 39 -3.360 9.702 -9.603 1.00 3.59 N ATOM 580 CA LEU A 39 -2.131 9.688 -10.407 1.00 3.65 C ATOM 581 C LEU A 39 -1.618 8.266 -10.645 1.00 3.91 C ATOM 582 O LEU A 39 -0.715 8.054 -11.462 1.00 4.06 O ATOM 583 CB LEU A 39 -1.038 10.543 -9.762 1.00 3.29 C ATOM 584 CG LEU A 39 -1.506 11.916 -9.295 1.00 3.06 C ATOM 585 CD1 LEU A 39 -1.793 11.878 -7.816 1.00 2.78 C ATOM 586 CD2 LEU A 39 -0.496 12.992 -9.622 1.00 3.19 C ATOM 0 H LEU A 39 -3.224 9.481 -8.617 1.00 3.59 H new ATOM 0 HA LEU A 39 -2.384 10.118 -11.376 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -0.627 10.003 -8.909 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -0.226 10.673 -10.477 1.00 3.29 H new ATOM 0 HG LEU A 39 -2.422 12.166 -9.830 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -2.127 12.861 -7.485 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -2.572 11.143 -7.615 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -0.887 11.602 -7.277 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -0.866 13.956 -9.273 1.00 3.19 H new ATOM 0 HD22 LEU A 39 0.449 12.766 -9.128 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -0.342 13.031 -10.700 1.00 3.19 H new ATOM 598 N GLY A 40 -2.206 7.301 -9.931 1.00 4.01 N ATOM 599 CA GLY A 40 -1.809 5.905 -10.059 1.00 4.30 C ATOM 600 C GLY A 40 -1.092 5.377 -8.827 1.00 4.16 C ATOM 601 O GLY A 40 -0.361 4.386 -8.912 1.00 4.36 O ATOM 0 H GLY A 40 -2.957 7.466 -9.261 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -2.694 5.297 -10.246 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -1.158 5.796 -10.926 1.00 4.30 H new ATOM 605 N GLN A 41 -1.304 6.042 -7.681 1.00 3.86 N ATOM 606 CA GLN A 41 -0.682 5.646 -6.415 1.00 3.74 C ATOM 607 C GLN A 41 -1.701 5.804 -5.296 1.00 3.60 C ATOM 608 O GLN A 41 -2.151 6.910 -5.022 1.00 3.46 O ATOM 609 CB GLN A 41 0.553 6.516 -6.104 1.00 3.47 C ATOM 610 CG GLN A 41 1.708 6.378 -7.094 1.00 3.68 C ATOM 611 CD GLN A 41 1.684 7.441 -8.176 1.00 3.94 C ATOM 612 OE1 GLN A 41 1.119 7.243 -9.251 1.00 4.34 O ATOM 613 NE2 GLN A 41 2.301 8.583 -7.895 1.00 4.15 N ATOM 0 H GLN A 41 -1.906 6.862 -7.609 1.00 3.86 H new ATOM 0 HA GLN A 41 -0.357 4.609 -6.496 1.00 3.74 H new ATOM 0 HB2 GLN A 41 0.244 7.561 -6.073 1.00 3.47 H new ATOM 0 HB3 GLN A 41 0.916 6.262 -5.108 1.00 3.47 H new ATOM 0 HG2 GLN A 41 2.653 6.437 -6.554 1.00 3.68 H new ATOM 0 HG3 GLN A 41 1.667 5.393 -7.558 1.00 3.68 H new ATOM 0 HE21 GLN A 41 2.758 8.707 -6.991 1.00 4.15 H new ATOM 0 HE22 GLN A 41 2.318 9.336 -8.583 1.00 4.15 H new ATOM 622 N ASN A 42 -2.045 4.711 -4.631 1.00 3.76 N ATOM 623 CA ASN A 42 -3.025 4.767 -3.567 1.00 3.68 C ATOM 624 C ASN A 42 -2.358 4.639 -2.181 1.00 3.53 C ATOM 625 O ASN A 42 -1.349 3.937 -2.061 1.00 3.67 O ATOM 626 CB ASN A 42 -4.046 3.637 -3.729 1.00 4.06 C ATOM 627 CG ASN A 42 -5.122 3.945 -4.747 1.00 4.60 C ATOM 628 OD1 ASN A 42 -6.250 4.276 -4.385 1.00 4.82 O ATOM 629 ND2 ASN A 42 -4.780 3.835 -6.025 1.00 5.19 N ATOM 0 H ASN A 42 -1.661 3.783 -4.810 1.00 3.76 H new ATOM 0 HA ASN A 42 -3.523 5.734 -3.631 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -3.526 2.726 -4.025 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -4.514 3.438 -2.765 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -5.466 4.028 -6.755 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -3.831 3.557 -6.277 1.00 5.19 H new ATOM 636 N PRO A 43 -2.895 5.304 -1.108 1.00 3.30 N ATOM 637 CA PRO A 43 -2.341 5.205 0.255 1.00 3.22 C ATOM 638 C PRO A 43 -2.949 4.034 1.048 1.00 3.54 C ATOM 639 O PRO A 43 -3.883 3.382 0.570 1.00 3.81 O ATOM 640 CB PRO A 43 -2.727 6.549 0.897 1.00 2.89 C ATOM 641 CG PRO A 43 -3.672 7.230 -0.053 1.00 2.92 C ATOM 642 CD PRO A 43 -4.047 6.229 -1.114 1.00 3.17 C ATOM 0 HA PRO A 43 -1.268 5.016 0.247 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -3.200 6.392 1.866 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -1.843 7.163 1.069 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -4.559 7.580 0.474 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -3.201 8.105 -0.501 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -4.979 5.717 -0.876 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -4.182 6.701 -2.087 1.00 3.17 H new ATOM 650 N THR A 44 -2.417 3.772 2.259 1.00 3.56 N ATOM 651 CA THR A 44 -2.914 2.682 3.118 1.00 3.90 C ATOM 652 C THR A 44 -4.283 3.031 3.725 1.00 3.85 C ATOM 653 O THR A 44 -4.713 4.184 3.665 1.00 3.54 O ATOM 654 CB THR A 44 -1.920 2.340 4.252 1.00 4.01 C ATOM 655 OG1 THR A 44 -0.782 3.213 4.209 1.00 3.86 O ATOM 656 CG2 THR A 44 -1.455 0.896 4.141 1.00 4.50 C ATOM 0 H THR A 44 -1.644 4.301 2.663 1.00 3.56 H new ATOM 0 HA THR A 44 -3.019 1.807 2.477 1.00 3.90 H new ATOM 0 HB THR A 44 -2.438 2.476 5.202 1.00 4.01 H new ATOM 0 HG1 THR A 44 0.040 2.679 4.202 1.00 3.86 H new ATOM 0 HG21 THR A 44 -0.756 0.676 4.948 1.00 4.50 H new ATOM 0 HG22 THR A 44 -2.315 0.230 4.214 1.00 4.50 H new ATOM 0 HG23 THR A 44 -0.960 0.746 3.182 1.00 4.50 H new ATOM 664 N GLU A 45 -4.958 2.024 4.302 1.00 4.21 N ATOM 665 CA GLU A 45 -6.293 2.206 4.895 1.00 4.27 C ATOM 666 C GLU A 45 -6.254 2.831 6.299 1.00 4.16 C ATOM 667 O GLU A 45 -7.003 3.772 6.575 1.00 4.02 O ATOM 668 CB GLU A 45 -7.037 0.864 4.945 1.00 4.73 C ATOM 669 CG GLU A 45 -7.524 0.379 3.588 1.00 4.87 C ATOM 670 CD GLU A 45 -8.255 -0.947 3.671 1.00 5.41 C ATOM 671 OE1 GLU A 45 -9.491 -0.933 3.852 1.00 5.67 O ATOM 672 OE2 GLU A 45 -7.593 -1.999 3.553 1.00 5.89 O ATOM 0 H GLU A 45 -4.599 1.072 4.371 1.00 4.21 H new ATOM 0 HA GLU A 45 -6.824 2.907 4.251 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -6.378 0.110 5.374 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -7.892 0.958 5.615 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -8.186 1.128 3.155 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -6.672 0.279 2.915 1.00 4.87 H new ATOM 679 N ALA A 46 -5.384 2.307 7.173 1.00 4.29 N ATOM 680 CA ALA A 46 -5.277 2.797 8.555 1.00 4.30 C ATOM 681 C ALA A 46 -4.215 3.879 8.736 1.00 3.96 C ATOM 682 O ALA A 46 -4.284 4.654 9.695 1.00 3.93 O ATOM 683 CB ALA A 46 -4.975 1.645 9.498 1.00 4.70 C ATOM 0 H ALA A 46 -4.745 1.545 6.948 1.00 4.29 H new ATOM 0 HA ALA A 46 -6.242 3.247 8.791 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -4.898 2.021 10.518 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -5.777 0.909 9.442 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -4.033 1.178 9.211 1.00 4.70 H new ATOM 689 N GLU A 47 -3.238 3.936 7.822 1.00 3.76 N ATOM 690 CA GLU A 47 -2.144 4.905 7.915 1.00 3.47 C ATOM 691 C GLU A 47 -2.571 6.340 7.642 1.00 3.09 C ATOM 692 O GLU A 47 -1.905 7.268 8.103 1.00 2.91 O ATOM 693 CB GLU A 47 -0.976 4.506 7.007 1.00 3.43 C ATOM 694 CG GLU A 47 -0.212 3.285 7.502 1.00 3.78 C ATOM 695 CD GLU A 47 1.003 2.967 6.655 1.00 3.77 C ATOM 696 OE1 GLU A 47 0.967 1.956 5.923 1.00 3.72 O ATOM 697 OE2 GLU A 47 1.990 3.730 6.723 1.00 4.19 O ATOM 0 H GLU A 47 -3.185 3.321 7.010 1.00 3.76 H new ATOM 0 HA GLU A 47 -1.814 4.879 8.954 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -1.357 4.305 6.006 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -0.287 5.347 6.924 1.00 3.43 H new ATOM 0 HG2 GLU A 47 0.103 3.453 8.532 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -0.879 2.423 7.509 1.00 3.78 H new ATOM 704 N LEU A 48 -3.667 6.533 6.891 1.00 3.03 N ATOM 705 CA LEU A 48 -4.184 7.884 6.602 1.00 2.71 C ATOM 706 C LEU A 48 -4.485 8.626 7.897 1.00 2.75 C ATOM 707 O LEU A 48 -4.428 9.846 7.953 1.00 2.53 O ATOM 708 CB LEU A 48 -5.469 7.848 5.781 1.00 2.77 C ATOM 709 CG LEU A 48 -5.499 6.888 4.603 1.00 2.90 C ATOM 710 CD1 LEU A 48 -6.860 6.218 4.490 1.00 3.19 C ATOM 711 CD2 LEU A 48 -5.174 7.651 3.345 1.00 2.63 C ATOM 0 H LEU A 48 -4.211 5.777 6.474 1.00 3.03 H new ATOM 0 HA LEU A 48 -3.408 8.393 6.030 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -6.292 7.594 6.448 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -5.662 8.853 5.406 1.00 2.77 H new ATOM 0 HG LEU A 48 -4.758 6.103 4.754 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -6.860 5.535 3.641 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -7.068 5.661 5.403 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -7.628 6.977 4.345 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -5.193 6.972 2.493 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -5.912 8.440 3.197 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -4.182 8.094 3.434 1.00 2.63 H new ATOM 723 N GLN A 49 -4.825 7.855 8.928 1.00 3.08 N ATOM 724 CA GLN A 49 -5.121 8.396 10.248 1.00 3.22 C ATOM 725 C GLN A 49 -3.838 8.737 11.011 1.00 3.25 C ATOM 726 O GLN A 49 -3.809 9.729 11.737 1.00 3.25 O ATOM 727 CB GLN A 49 -5.950 7.397 11.060 1.00 3.61 C ATOM 728 CG GLN A 49 -7.394 7.269 10.595 1.00 3.67 C ATOM 729 CD GLN A 49 -8.184 6.269 11.417 1.00 4.10 C ATOM 730 OE1 GLN A 49 -8.796 6.622 12.425 1.00 4.58 O ATOM 731 NE2 GLN A 49 -8.176 5.012 10.988 1.00 4.30 N ATOM 0 H GLN A 49 -4.902 6.840 8.870 1.00 3.08 H new ATOM 0 HA GLN A 49 -5.693 9.313 10.108 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -5.474 6.418 11.007 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -5.942 7.700 12.107 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -7.878 8.244 10.652 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -7.409 6.966 9.548 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -7.655 4.763 10.147 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -8.691 4.295 11.499 1.00 4.30 H new ATOM 740 N ASP A 50 -2.787 7.907 10.849 1.00 3.34 N ATOM 741 CA ASP A 50 -1.519 8.130 11.560 1.00 3.43 C ATOM 742 C ASP A 50 -0.513 9.038 10.827 1.00 3.13 C ATOM 743 O ASP A 50 0.009 9.969 11.445 1.00 3.13 O ATOM 744 CB ASP A 50 -0.850 6.819 11.926 1.00 3.76 C ATOM 745 CG ASP A 50 -1.652 6.002 12.923 1.00 4.11 C ATOM 746 OD1 ASP A 50 -1.445 6.181 14.142 1.00 4.38 O ATOM 747 OD2 ASP A 50 -2.488 5.184 12.484 1.00 4.38 O ATOM 0 H ASP A 50 -2.793 7.089 10.240 1.00 3.34 H new ATOM 0 HA ASP A 50 -1.811 8.667 12.463 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -0.697 6.230 11.021 1.00 3.76 H new ATOM 0 HB3 ASP A 50 0.136 7.024 12.343 1.00 3.76 H new ATOM 752 N MET A 51 -0.200 8.777 9.531 1.00 2.93 N ATOM 753 CA MET A 51 0.781 9.627 8.804 1.00 2.66 C ATOM 754 C MET A 51 0.264 11.043 8.668 1.00 2.39 C ATOM 755 O MET A 51 1.018 12.014 8.772 1.00 2.30 O ATOM 756 CB MET A 51 1.184 9.026 7.445 1.00 2.59 C ATOM 757 CG MET A 51 0.061 8.918 6.430 1.00 2.35 C ATOM 758 SD MET A 51 0.388 7.674 5.179 1.00 2.18 S ATOM 759 CE MET A 51 -1.283 7.175 4.847 1.00 2.48 C ATOM 0 H MET A 51 -0.596 8.013 8.983 1.00 2.93 H new ATOM 0 HA MET A 51 1.693 9.659 9.401 1.00 2.66 H new ATOM 0 HB2 MET A 51 1.981 9.635 7.018 1.00 2.59 H new ATOM 0 HB3 MET A 51 1.597 8.032 7.613 1.00 2.59 H new ATOM 0 HG2 MET A 51 -0.869 8.676 6.945 1.00 2.35 H new ATOM 0 HG3 MET A 51 -0.084 9.885 5.948 1.00 2.35 H new ATOM 0 HE1 MET A 51 -1.405 6.122 5.099 1.00 2.48 H new ATOM 0 HE2 MET A 51 -1.968 7.773 5.448 1.00 2.48 H new ATOM 0 HE3 MET A 51 -1.504 7.323 3.790 1.00 2.48 H new ATOM 769 N ILE A 52 -1.036 11.128 8.451 1.00 2.33 N ATOM 770 CA ILE A 52 -1.744 12.387 8.358 1.00 2.15 C ATOM 771 C ILE A 52 -1.797 13.041 9.734 1.00 2.40 C ATOM 772 O ILE A 52 -1.957 14.242 9.854 1.00 2.36 O ATOM 773 CB ILE A 52 -3.152 12.134 7.767 1.00 2.10 C ATOM 774 CG1 ILE A 52 -3.112 12.346 6.262 1.00 1.78 C ATOM 775 CG2 ILE A 52 -4.258 12.967 8.411 1.00 2.22 C ATOM 776 CD1 ILE A 52 -3.087 11.057 5.471 1.00 1.85 C ATOM 0 H ILE A 52 -1.636 10.312 8.333 1.00 2.33 H new ATOM 0 HA ILE A 52 -1.225 13.076 7.691 1.00 2.15 H new ATOM 0 HB ILE A 52 -3.410 11.100 7.994 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -3.982 12.930 5.962 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -2.230 12.935 6.009 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.212 12.731 7.941 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -4.312 12.739 9.476 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -4.040 14.027 8.277 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -3.059 11.285 4.405 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -2.203 10.481 5.742 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -3.982 10.476 5.694 1.00 1.85 H new ATOM 788 N ASN A 53 -1.625 12.217 10.760 1.00 2.72 N ATOM 789 CA ASN A 53 -1.623 12.665 12.143 1.00 3.03 C ATOM 790 C ASN A 53 -0.311 13.313 12.496 1.00 3.09 C ATOM 791 O ASN A 53 -0.134 13.916 13.552 1.00 3.36 O ATOM 792 CB ASN A 53 -1.902 11.475 13.063 1.00 3.37 C ATOM 793 CG ASN A 53 -2.212 11.864 14.501 1.00 3.66 C ATOM 794 OD1 ASN A 53 -3.368 12.083 14.862 1.00 3.89 O ATOM 795 ND2 ASN A 53 -1.176 11.950 15.327 1.00 3.98 N ATOM 0 H ASN A 53 -1.482 11.213 10.653 1.00 2.72 H new ATOM 0 HA ASN A 53 -2.406 13.412 12.274 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -2.742 10.908 12.662 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -1.037 10.812 13.055 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -1.322 12.206 16.303 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -0.234 11.760 14.985 1.00 3.98 H new ATOM 802 N GLU A 54 0.595 13.097 11.611 1.00 2.90 N ATOM 803 CA GLU A 54 1.930 13.666 11.692 1.00 2.96 C ATOM 804 C GLU A 54 1.967 15.045 11.034 1.00 2.77 C ATOM 805 O GLU A 54 2.867 15.846 11.304 1.00 2.93 O ATOM 806 CB GLU A 54 2.943 12.734 11.017 1.00 2.91 C ATOM 807 CG GLU A 54 3.200 11.444 11.785 1.00 3.22 C ATOM 808 CD GLU A 54 4.154 10.515 11.061 1.00 3.25 C ATOM 809 OE1 GLU A 54 3.679 9.678 10.265 1.00 3.56 O ATOM 810 OE2 GLU A 54 5.377 10.624 11.289 1.00 3.40 O ATOM 0 H GLU A 54 0.446 12.512 10.789 1.00 2.90 H new ATOM 0 HA GLU A 54 2.195 13.776 12.744 1.00 2.96 H new ATOM 0 HB2 GLU A 54 2.584 12.486 10.018 1.00 2.91 H new ATOM 0 HB3 GLU A 54 3.886 13.266 10.894 1.00 2.91 H new ATOM 0 HG2 GLU A 54 3.608 11.685 12.767 1.00 3.22 H new ATOM 0 HG3 GLU A 54 2.253 10.930 11.951 1.00 3.22 H new ATOM 817 N VAL A 55 0.978 15.302 10.174 1.00 2.49 N ATOM 818 CA VAL A 55 0.887 16.570 9.453 1.00 2.36 C ATOM 819 C VAL A 55 -0.468 17.263 9.596 1.00 2.40 C ATOM 820 O VAL A 55 -0.552 18.485 9.426 1.00 2.49 O ATOM 821 CB VAL A 55 1.281 16.366 7.958 1.00 1.99 C ATOM 822 CG1 VAL A 55 0.690 17.418 7.017 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.793 16.343 7.830 1.00 2.07 C ATOM 0 H VAL A 55 0.228 14.645 9.961 1.00 2.49 H new ATOM 0 HA VAL A 55 1.601 17.251 9.917 1.00 2.36 H new ATOM 0 HB VAL A 55 0.856 15.411 7.650 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.007 17.211 5.995 1.00 2.37 H new ATOM 0 HG12 VAL A 55 -0.398 17.386 7.073 1.00 2.37 H new ATOM 0 HG13 VAL A 55 1.039 18.407 7.312 1.00 2.37 H new ATOM 0 HG21 VAL A 55 3.068 16.200 6.785 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.203 17.288 8.187 1.00 2.07 H new ATOM 0 HG23 VAL A 55 3.196 15.524 8.426 1.00 2.07 H new ATOM 833 N ALA A 56 -1.507 16.517 9.939 1.00 2.43 N ATOM 834 CA ALA A 56 -2.829 17.111 10.064 1.00 2.53 C ATOM 835 C ALA A 56 -3.157 17.271 11.538 1.00 2.90 C ATOM 836 O ALA A 56 -4.305 17.514 11.932 1.00 3.05 O ATOM 837 CB ALA A 56 -3.850 16.267 9.322 1.00 2.36 C ATOM 0 H ALA A 56 -1.463 15.517 10.133 1.00 2.43 H new ATOM 0 HA ALA A 56 -2.852 18.101 9.608 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -4.837 16.719 9.421 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -3.580 16.213 8.267 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -3.867 15.262 9.744 1.00 2.36 H new ATOM 843 N ALA A 57 -2.096 17.147 12.340 1.00 3.08 N ATOM 844 CA ALA A 57 -2.179 17.267 13.778 1.00 3.45 C ATOM 845 C ALA A 57 -1.782 18.647 14.249 1.00 3.67 C ATOM 846 O ALA A 57 -0.756 19.204 13.848 1.00 3.69 O ATOM 847 CB ALA A 57 -1.342 16.209 14.464 1.00 3.64 C ATOM 0 H ALA A 57 -1.154 16.959 11.997 1.00 3.08 H new ATOM 0 HA ALA A 57 -3.222 17.110 14.053 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -1.424 16.324 15.545 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -1.699 15.220 14.176 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -0.300 16.320 14.165 1.00 3.64 H new ATOM 853 N ASP A 58 -2.634 19.153 15.128 1.00 3.94 N ATOM 854 CA ASP A 58 -2.541 20.481 15.751 1.00 4.23 C ATOM 855 C ASP A 58 -3.875 20.760 16.439 1.00 4.25 C ATOM 856 O ASP A 58 -4.004 21.706 17.222 1.00 4.54 O ATOM 857 CB ASP A 58 -2.253 21.599 14.724 1.00 4.40 C ATOM 858 CG ASP A 58 -1.592 22.816 15.348 1.00 4.54 C ATOM 859 OD1 ASP A 58 -2.323 23.729 15.788 1.00 4.74 O ATOM 860 OD2 ASP A 58 -0.345 22.855 15.397 1.00 4.85 O ATOM 0 H ASP A 58 -3.450 18.631 15.447 1.00 3.94 H new ATOM 0 HA ASP A 58 -1.710 20.478 16.457 1.00 4.23 H new ATOM 0 HB2 ASP A 58 -1.610 21.206 13.937 1.00 4.40 H new ATOM 0 HB3 ASP A 58 -3.187 21.901 14.251 1.00 4.40 H new ATOM 865 N GLY A 59 -4.862 19.903 16.125 1.00 4.05 N ATOM 866 CA GLY A 59 -6.198 20.036 16.687 1.00 4.27 C ATOM 867 C GLY A 59 -7.163 20.739 15.747 1.00 4.03 C ATOM 868 O GLY A 59 -7.848 21.683 16.151 1.00 4.23 O ATOM 0 H GLY A 59 -4.751 19.116 15.486 1.00 4.05 H new ATOM 0 HA2 GLY A 59 -6.587 19.046 16.927 1.00 4.27 H new ATOM 0 HA3 GLY A 59 -6.140 20.591 17.623 1.00 4.27 H new ATOM 872 N ASN A 60 -7.211 20.274 14.492 1.00 3.90 N ATOM 873 CA ASN A 60 -8.098 20.853 13.475 1.00 3.86 C ATOM 874 C ASN A 60 -9.164 19.855 13.035 1.00 3.69 C ATOM 875 O ASN A 60 -10.308 20.231 12.763 1.00 3.78 O ATOM 876 CB ASN A 60 -7.291 21.330 12.263 1.00 3.90 C ATOM 877 CG ASN A 60 -6.439 22.547 12.569 1.00 4.10 C ATOM 878 OD1 ASN A 60 -6.882 23.685 12.413 1.00 4.42 O ATOM 879 ND2 ASN A 60 -5.208 22.312 13.008 1.00 4.29 N ATOM 0 H ASN A 60 -6.644 19.496 14.156 1.00 3.90 H new ATOM 0 HA ASN A 60 -8.600 21.710 13.925 1.00 3.86 H new ATOM 0 HB2 ASN A 60 -6.649 20.520 11.917 1.00 3.90 H new ATOM 0 HB3 ASN A 60 -7.974 21.566 11.447 1.00 3.90 H new ATOM 0 HD21 ASN A 60 -4.589 23.091 13.231 1.00 4.29 H new ATOM 0 HD22 ASN A 60 -4.882 21.352 13.123 1.00 4.29 H new ATOM 886 N GLY A 61 -8.764 18.591 12.974 1.00 3.52 N ATOM 887 CA GLY A 61 -9.663 17.512 12.578 1.00 3.44 C ATOM 888 C GLY A 61 -9.549 17.122 11.109 1.00 3.11 C ATOM 889 O GLY A 61 -10.251 16.211 10.661 1.00 3.10 O ATOM 0 H GLY A 61 -7.816 18.286 13.195 1.00 3.52 H new ATOM 0 HA2 GLY A 61 -9.457 16.636 13.193 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -10.690 17.813 12.785 1.00 3.44 H new ATOM 893 N THR A 62 -8.670 17.807 10.360 1.00 2.91 N ATOM 894 CA THR A 62 -8.459 17.513 8.936 1.00 2.61 C ATOM 895 C THR A 62 -6.995 17.740 8.521 1.00 2.41 C ATOM 896 O THR A 62 -6.152 18.088 9.350 1.00 2.55 O ATOM 897 CB THR A 62 -9.404 18.328 8.019 1.00 2.62 C ATOM 898 OG1 THR A 62 -9.438 19.697 8.434 1.00 2.84 O ATOM 899 CG2 THR A 62 -10.814 17.749 8.030 1.00 2.75 C ATOM 0 H THR A 62 -8.094 18.569 10.719 1.00 2.91 H new ATOM 0 HA THR A 62 -8.698 16.457 8.806 1.00 2.61 H new ATOM 0 HB THR A 62 -9.017 18.270 7.002 1.00 2.62 H new ATOM 0 HG1 THR A 62 -9.377 20.279 7.648 1.00 2.84 H new ATOM 0 HG21 THR A 62 -11.456 18.341 7.378 1.00 2.75 H new ATOM 0 HG22 THR A 62 -10.787 16.719 7.675 1.00 2.75 H new ATOM 0 HG23 THR A 62 -11.209 17.772 9.046 1.00 2.75 H new ATOM 907 N ILE A 63 -6.733 17.571 7.219 1.00 2.14 N ATOM 908 CA ILE A 63 -5.406 17.674 6.623 1.00 1.93 C ATOM 909 C ILE A 63 -5.236 18.922 5.805 1.00 1.95 C ATOM 910 O ILE A 63 -6.107 19.270 5.033 1.00 1.99 O ATOM 911 CB ILE A 63 -5.136 16.605 5.552 1.00 1.63 C ATOM 912 CG1 ILE A 63 -6.331 15.663 5.306 1.00 1.70 C ATOM 913 CG2 ILE A 63 -3.835 15.817 5.749 1.00 1.51 C ATOM 914 CD1 ILE A 63 -6.577 14.633 6.390 1.00 1.95 C ATOM 0 H ILE A 63 -7.461 17.353 6.538 1.00 2.14 H new ATOM 0 HA ILE A 63 -4.756 17.606 7.495 1.00 1.93 H new ATOM 0 HB ILE A 63 -4.996 17.191 4.644 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -7.231 16.267 5.191 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.174 15.142 4.362 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.727 15.086 4.948 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -2.988 16.503 5.731 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -3.864 15.301 6.709 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -7.438 14.021 6.122 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -5.698 13.997 6.494 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -6.772 15.139 7.335 1.00 1.95 H new ATOM 926 N ASP A 64 -4.069 19.509 5.892 1.00 2.01 N ATOM 927 CA ASP A 64 -3.734 20.668 5.101 1.00 2.12 C ATOM 928 C ASP A 64 -2.905 20.213 3.884 1.00 1.86 C ATOM 929 O ASP A 64 -2.372 19.100 3.887 1.00 1.62 O ATOM 930 CB ASP A 64 -3.015 21.750 5.921 1.00 2.46 C ATOM 931 CG ASP A 64 -1.694 21.297 6.532 1.00 2.46 C ATOM 932 OD1 ASP A 64 -1.711 20.791 7.674 1.00 2.68 O ATOM 933 OD2 ASP A 64 -0.648 21.450 5.867 1.00 2.74 O ATOM 0 H ASP A 64 -3.323 19.197 6.514 1.00 2.01 H new ATOM 0 HA ASP A 64 -4.654 21.137 4.753 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -2.829 22.612 5.280 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -3.677 22.084 6.720 1.00 2.46 H new ATOM 938 N PHE A 65 -2.792 21.063 2.860 1.00 1.97 N ATOM 939 CA PHE A 65 -2.085 20.695 1.622 1.00 1.80 C ATOM 940 C PHE A 65 -0.525 20.806 1.680 1.00 1.83 C ATOM 941 O PHE A 65 0.145 19.928 1.130 1.00 1.60 O ATOM 942 CB PHE A 65 -2.610 21.549 0.452 1.00 2.04 C ATOM 943 CG PHE A 65 -2.241 21.032 -0.925 1.00 1.95 C ATOM 944 CD1 PHE A 65 -1.369 21.731 -1.743 1.00 2.40 C ATOM 945 CD2 PHE A 65 -2.777 19.848 -1.393 1.00 2.11 C ATOM 946 CE1 PHE A 65 -1.048 21.251 -3.000 1.00 2.45 C ATOM 947 CE2 PHE A 65 -2.469 19.357 -2.640 1.00 2.08 C ATOM 948 CZ PHE A 65 -1.600 20.063 -3.449 1.00 1.96 C ATOM 0 H PHE A 65 -3.178 22.007 2.859 1.00 1.97 H new ATOM 0 HA PHE A 65 -2.298 19.636 1.479 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -3.696 21.610 0.523 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -2.226 22.563 0.559 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -0.936 22.658 -1.397 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -3.456 19.293 -0.763 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -0.367 21.803 -3.631 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -2.902 18.429 -2.983 1.00 2.08 H new ATOM 0 HZ PHE A 65 -1.351 19.689 -4.431 1.00 1.96 H new ATOM 958 N PRO A 66 0.084 21.865 2.325 1.00 2.16 N ATOM 959 CA PRO A 66 1.567 22.075 2.348 1.00 2.30 C ATOM 960 C PRO A 66 2.462 20.850 2.657 1.00 2.09 C ATOM 961 O PRO A 66 3.321 20.507 1.841 1.00 2.04 O ATOM 962 CB PRO A 66 1.743 23.149 3.426 1.00 2.67 C ATOM 963 CG PRO A 66 0.492 23.942 3.366 1.00 2.78 C ATOM 964 CD PRO A 66 -0.601 22.950 3.083 1.00 2.48 C ATOM 0 HA PRO A 66 1.903 22.335 1.344 1.00 2.30 H new ATOM 0 HB2 PRO A 66 1.884 22.704 4.411 1.00 2.67 H new ATOM 0 HB3 PRO A 66 2.617 23.770 3.229 1.00 2.67 H new ATOM 0 HG2 PRO A 66 0.314 24.465 4.306 1.00 2.78 H new ATOM 0 HG3 PRO A 66 0.545 24.700 2.585 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -1.047 22.574 4.004 1.00 2.48 H new ATOM 0 HD3 PRO A 66 -1.405 23.398 2.500 1.00 2.48 H new ATOM 972 N GLU A 67 2.279 20.206 3.819 1.00 2.04 N ATOM 973 CA GLU A 67 3.116 19.062 4.212 1.00 1.95 C ATOM 974 C GLU A 67 2.592 17.718 3.752 1.00 1.60 C ATOM 975 O GLU A 67 3.286 16.700 3.820 1.00 1.59 O ATOM 976 CB GLU A 67 3.417 19.075 5.712 1.00 2.24 C ATOM 977 CG GLU A 67 4.441 20.124 6.121 1.00 2.61 C ATOM 978 CD GLU A 67 4.720 20.114 7.612 1.00 3.15 C ATOM 979 OE1 GLU A 67 4.022 20.839 8.351 1.00 3.47 O ATOM 980 OE2 GLU A 67 5.638 19.382 8.039 1.00 3.66 O ATOM 0 H GLU A 67 1.562 20.456 4.500 1.00 2.04 H new ATOM 0 HA GLU A 67 4.056 19.195 3.676 1.00 1.95 H new ATOM 0 HB2 GLU A 67 2.490 19.252 6.258 1.00 2.24 H new ATOM 0 HB3 GLU A 67 3.779 18.091 6.010 1.00 2.24 H new ATOM 0 HG2 GLU A 67 5.371 19.950 5.580 1.00 2.61 H new ATOM 0 HG3 GLU A 67 4.082 21.111 5.829 1.00 2.61 H new ATOM 987 N PHE A 68 1.368 17.730 3.304 1.00 1.40 N ATOM 988 CA PHE A 68 0.693 16.527 2.796 1.00 1.10 C ATOM 989 C PHE A 68 1.389 16.046 1.492 1.00 0.99 C ATOM 990 O PHE A 68 1.293 14.869 1.131 1.00 0.94 O ATOM 991 CB PHE A 68 -0.817 16.829 2.649 1.00 1.04 C ATOM 992 CG PHE A 68 -1.657 15.866 1.847 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.094 16.230 0.582 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.068 14.641 2.371 1.00 1.60 C ATOM 995 CE1 PHE A 68 -2.926 15.407 -0.147 1.00 1.57 C ATOM 996 CE2 PHE A 68 -2.888 13.817 1.638 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.328 14.200 0.376 1.00 1.15 C ATOM 0 H PHE A 68 0.791 18.571 3.273 1.00 1.40 H new ATOM 0 HA PHE A 68 0.775 15.693 3.493 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.244 16.891 3.650 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.918 17.816 2.198 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.778 17.173 0.161 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.741 14.339 3.355 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.262 15.710 -1.128 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.193 12.864 2.045 1.00 1.57 H new ATOM 0 HZ PHE A 68 -3.982 13.553 -0.191 1.00 1.15 H new ATOM 1007 N LEU A 69 2.088 16.982 0.798 1.00 1.15 N ATOM 1008 CA LEU A 69 2.873 16.664 -0.419 1.00 1.24 C ATOM 1009 C LEU A 69 4.243 16.117 -0.043 1.00 1.42 C ATOM 1010 O LEU A 69 4.762 15.216 -0.704 1.00 1.53 O ATOM 1011 CB LEU A 69 3.088 17.871 -1.333 1.00 1.51 C ATOM 1012 CG LEU A 69 1.942 18.866 -1.428 1.00 1.59 C ATOM 1013 CD1 LEU A 69 2.446 20.228 -1.028 1.00 1.82 C ATOM 1014 CD2 LEU A 69 1.365 18.901 -2.830 1.00 1.76 C ATOM 0 H LEU A 69 2.122 17.966 1.064 1.00 1.15 H new ATOM 0 HA LEU A 69 2.285 15.923 -0.960 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.975 18.404 -0.990 1.00 1.51 H new ATOM 0 HB3 LEU A 69 3.305 17.504 -2.336 1.00 1.51 H new ATOM 0 HG LEU A 69 1.143 18.558 -0.754 1.00 1.59 H new ATOM 0 HD11 LEU A 69 1.632 20.950 -1.092 1.00 1.82 H new ATOM 0 HD12 LEU A 69 2.819 20.192 -0.004 1.00 1.82 H new ATOM 0 HD13 LEU A 69 3.252 20.529 -1.697 1.00 1.82 H new ATOM 0 HD21 LEU A 69 0.547 19.621 -2.869 1.00 1.76 H new ATOM 0 HD22 LEU A 69 2.142 19.195 -3.536 1.00 1.76 H new ATOM 0 HD23 LEU A 69 0.991 17.912 -3.094 1.00 1.76 H new ATOM 1026 N THR A 70 4.837 16.690 1.020 1.00 1.58 N ATOM 1027 CA THR A 70 6.160 16.243 1.509 1.00 1.88 C ATOM 1028 C THR A 70 6.077 14.783 1.962 1.00 1.87 C ATOM 1029 O THR A 70 7.072 14.053 1.963 1.00 2.04 O ATOM 1030 CB THR A 70 6.703 17.117 2.664 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.718 17.266 3.688 1.00 2.14 O ATOM 1032 CG2 THR A 70 7.128 18.490 2.159 1.00 2.80 C ATOM 0 H THR A 70 4.429 17.457 1.554 1.00 1.58 H new ATOM 0 HA THR A 70 6.857 16.344 0.678 1.00 1.88 H new ATOM 0 HB THR A 70 7.576 16.612 3.078 1.00 2.19 H new ATOM 0 HG1 THR A 70 5.007 16.605 3.556 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.506 19.083 2.992 1.00 2.80 H new ATOM 0 HG22 THR A 70 7.912 18.376 1.410 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.271 18.995 1.713 1.00 2.80 H new ATOM 1040 N MET A 71 4.855 14.394 2.346 1.00 1.77 N ATOM 1041 CA MET A 71 4.523 13.034 2.750 1.00 1.91 C ATOM 1042 C MET A 71 4.282 12.158 1.520 1.00 1.83 C ATOM 1043 O MET A 71 4.680 10.997 1.489 1.00 2.06 O ATOM 1044 CB MET A 71 3.239 13.050 3.575 1.00 2.01 C ATOM 1045 CG MET A 71 3.422 13.456 5.024 1.00 2.31 C ATOM 1046 SD MET A 71 1.873 13.974 5.799 1.00 2.07 S ATOM 1047 CE MET A 71 0.899 12.465 5.801 1.00 1.57 C ATOM 0 H MET A 71 4.060 15.031 2.383 1.00 1.77 H new ATOM 0 HA MET A 71 5.353 12.635 3.333 1.00 1.91 H new ATOM 0 HB2 MET A 71 2.531 13.734 3.107 1.00 2.01 H new ATOM 0 HB3 MET A 71 2.791 12.057 3.544 1.00 2.01 H new ATOM 0 HG2 MET A 71 3.842 12.619 5.582 1.00 2.31 H new ATOM 0 HG3 MET A 71 4.143 14.271 5.081 1.00 2.31 H new ATOM 0 HE1 MET A 71 -0.045 12.642 6.316 1.00 1.57 H new ATOM 0 HE2 MET A 71 0.700 12.159 4.774 1.00 1.57 H new ATOM 0 HE3 MET A 71 1.450 11.677 6.314 1.00 1.57 H new ATOM 1057 N MET A 72 3.674 12.775 0.486 1.00 1.61 N ATOM 1058 CA MET A 72 3.290 12.116 -0.778 1.00 1.69 C ATOM 1059 C MET A 72 4.354 11.168 -1.359 1.00 1.97 C ATOM 1060 O MET A 72 4.003 10.194 -2.030 1.00 2.17 O ATOM 1061 CB MET A 72 2.917 13.189 -1.803 1.00 1.60 C ATOM 1062 CG MET A 72 1.454 13.595 -1.744 1.00 1.46 C ATOM 1063 SD MET A 72 0.371 12.419 -2.569 1.00 1.69 S ATOM 1064 CE MET A 72 -1.024 13.480 -2.939 1.00 1.53 C ATOM 0 H MET A 72 3.432 13.766 0.508 1.00 1.61 H new ATOM 0 HA MET A 72 2.438 11.476 -0.548 1.00 1.69 H new ATOM 0 HB2 MET A 72 3.538 14.070 -1.639 1.00 1.60 H new ATOM 0 HB3 MET A 72 3.144 12.821 -2.803 1.00 1.60 H new ATOM 0 HG2 MET A 72 1.150 13.692 -0.702 1.00 1.46 H new ATOM 0 HG3 MET A 72 1.335 14.576 -2.204 1.00 1.46 H new ATOM 0 HE1 MET A 72 -1.921 13.080 -2.467 1.00 1.53 H new ATOM 0 HE2 MET A 72 -0.830 14.483 -2.558 1.00 1.53 H new ATOM 0 HE3 MET A 72 -1.171 13.524 -4.018 1.00 1.53 H new ATOM 1074 N ALA A 73 5.638 11.444 -1.097 1.00 2.06 N ATOM 1075 CA ALA A 73 6.721 10.593 -1.572 1.00 2.36 C ATOM 1076 C ALA A 73 7.095 9.545 -0.538 1.00 2.55 C ATOM 1077 O ALA A 73 7.460 8.424 -0.902 1.00 2.80 O ATOM 1078 CB ALA A 73 7.930 11.420 -1.981 1.00 2.47 C ATOM 0 H ALA A 73 5.946 12.253 -0.557 1.00 2.06 H new ATOM 0 HA ALA A 73 6.364 10.067 -2.457 1.00 2.36 H new ATOM 0 HB1 ALA A 73 8.722 10.758 -2.331 1.00 2.47 H new ATOM 0 HB2 ALA A 73 7.649 12.104 -2.781 1.00 2.47 H new ATOM 0 HB3 ALA A 73 8.287 11.991 -1.124 1.00 2.47 H new ATOM 1084 N ARG A 74 7.002 9.906 0.751 1.00 2.49 N ATOM 1085 CA ARG A 74 7.276 8.963 1.843 1.00 2.74 C ATOM 1086 C ARG A 74 6.280 7.805 1.772 1.00 2.80 C ATOM 1087 O ARG A 74 6.590 6.670 2.142 1.00 3.08 O ATOM 1088 CB ARG A 74 7.202 9.656 3.218 1.00 2.75 C ATOM 1089 CG ARG A 74 8.077 10.906 3.369 1.00 2.90 C ATOM 1090 CD ARG A 74 9.565 10.577 3.378 1.00 2.93 C ATOM 1091 NE ARG A 74 10.391 11.765 3.618 1.00 3.02 N ATOM 1092 CZ ARG A 74 11.732 11.782 3.596 1.00 3.34 C ATOM 1093 NH1 ARG A 74 12.430 10.676 3.343 1.00 3.84 N ATOM 1094 NH2 ARG A 74 12.376 12.917 3.828 1.00 3.53 N ATOM 0 H ARG A 74 6.740 10.842 1.061 1.00 2.49 H new ATOM 0 HA ARG A 74 8.290 8.580 1.726 1.00 2.74 H new ATOM 0 HB2 ARG A 74 6.166 9.932 3.412 1.00 2.75 H new ATOM 0 HB3 ARG A 74 7.489 8.937 3.985 1.00 2.75 H new ATOM 0 HG2 ARG A 74 7.865 11.595 2.552 1.00 2.90 H new ATOM 0 HG3 ARG A 74 7.816 11.419 4.294 1.00 2.90 H new ATOM 0 HD2 ARG A 74 9.767 9.834 4.149 1.00 2.93 H new ATOM 0 HD3 ARG A 74 9.843 10.130 2.424 1.00 2.93 H new ATOM 0 HE ARG A 74 9.910 12.643 3.816 1.00 3.02 H new ATOM 0 HH11 ARG A 74 11.945 9.797 3.162 1.00 3.84 H new ATOM 0 HH12 ARG A 74 13.449 10.708 3.330 1.00 3.84 H new ATOM 0 HH21 ARG A 74 11.852 13.770 4.022 1.00 3.53 H new ATOM 0 HH22 ARG A 74 13.396 12.937 3.813 1.00 3.53 H new ATOM 1108 N LYS A 75 5.074 8.136 1.283 1.00 2.57 N ATOM 1109 CA LYS A 75 3.998 7.172 1.067 1.00 2.67 C ATOM 1110 C LYS A 75 4.313 6.238 -0.083 1.00 2.87 C ATOM 1111 O LYS A 75 3.838 5.098 -0.094 1.00 3.11 O ATOM 1112 CB LYS A 75 2.640 7.852 0.785 1.00 2.45 C ATOM 1113 CG LYS A 75 2.453 9.259 1.370 1.00 2.47 C ATOM 1114 CD LYS A 75 1.978 9.256 2.818 1.00 2.50 C ATOM 1115 CE LYS A 75 3.076 9.007 3.858 1.00 2.43 C ATOM 1116 NZ LYS A 75 4.140 10.044 3.850 1.00 3.05 N ATOM 0 H LYS A 75 4.822 9.091 1.026 1.00 2.57 H new ATOM 0 HA LYS A 75 3.921 6.606 1.996 1.00 2.67 H new ATOM 0 HB2 LYS A 75 2.503 7.909 -0.295 1.00 2.45 H new ATOM 0 HB3 LYS A 75 1.849 7.211 1.174 1.00 2.45 H new ATOM 0 HG2 LYS A 75 3.398 9.799 1.307 1.00 2.47 H new ATOM 0 HG3 LYS A 75 1.733 9.805 0.761 1.00 2.47 H new ATOM 0 HD2 LYS A 75 1.506 10.215 3.032 1.00 2.50 H new ATOM 0 HD3 LYS A 75 1.210 8.491 2.931 1.00 2.50 H new ATOM 0 HE2 LYS A 75 2.625 8.967 4.850 1.00 2.43 H new ATOM 0 HE3 LYS A 75 3.527 8.032 3.673 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 4.966 9.698 4.380 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 4.419 10.248 2.869 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 3.782 10.913 4.296 1.00 3.05 H new ATOM 1130 N MET A 76 5.102 6.711 -1.061 1.00 2.81 N ATOM 1131 CA MET A 76 5.475 5.851 -2.177 1.00 3.04 C ATOM 1132 C MET A 76 6.626 4.934 -1.822 1.00 3.27 C ATOM 1133 O MET A 76 7.161 4.186 -2.647 1.00 3.48 O ATOM 1134 CB MET A 76 5.717 6.635 -3.469 1.00 2.98 C ATOM 1135 CG MET A 76 4.475 6.769 -4.338 1.00 3.01 C ATOM 1136 SD MET A 76 4.716 7.883 -5.737 1.00 2.99 S ATOM 1137 CE MET A 76 4.426 9.470 -4.959 1.00 2.50 C ATOM 0 H MET A 76 5.481 7.657 -1.097 1.00 2.81 H new ATOM 0 HA MET A 76 4.618 5.209 -2.379 1.00 3.04 H new ATOM 0 HB2 MET A 76 6.084 7.630 -3.218 1.00 2.98 H new ATOM 0 HB3 MET A 76 6.501 6.141 -4.043 1.00 2.98 H new ATOM 0 HG2 MET A 76 4.189 5.785 -4.709 1.00 3.01 H new ATOM 0 HG3 MET A 76 3.648 7.133 -3.728 1.00 3.01 H new ATOM 0 HE1 MET A 76 4.309 10.235 -5.726 1.00 2.50 H new ATOM 0 HE2 MET A 76 3.519 9.419 -4.356 1.00 2.50 H new ATOM 0 HE3 MET A 76 5.273 9.722 -4.320 1.00 2.50 H new ATOM 1147 N LYS A 77 6.961 5.032 -0.568 1.00 3.25 N ATOM 1148 CA LYS A 77 7.938 4.196 0.073 1.00 3.50 C ATOM 1149 C LYS A 77 7.162 3.389 1.092 1.00 3.65 C ATOM 1150 O LYS A 77 7.705 2.509 1.769 1.00 3.90 O ATOM 1151 CB LYS A 77 9.050 5.016 0.738 1.00 3.48 C ATOM 1152 CG LYS A 77 10.206 5.381 -0.191 1.00 3.51 C ATOM 1153 CD LYS A 77 9.924 6.648 -0.988 1.00 3.56 C ATOM 1154 CE LYS A 77 11.086 7.003 -1.900 1.00 3.75 C ATOM 1155 NZ LYS A 77 10.823 8.245 -2.679 1.00 4.00 N ATOM 0 H LYS A 77 6.547 5.721 0.060 1.00 3.25 H new ATOM 0 HA LYS A 77 8.449 3.558 -0.649 1.00 3.50 H new ATOM 0 HB2 LYS A 77 8.618 5.933 1.139 1.00 3.48 H new ATOM 0 HB3 LYS A 77 9.444 4.453 1.584 1.00 3.48 H new ATOM 0 HG2 LYS A 77 11.113 5.518 0.397 1.00 3.51 H new ATOM 0 HG3 LYS A 77 10.393 4.555 -0.878 1.00 3.51 H new ATOM 0 HD2 LYS A 77 9.021 6.511 -1.584 1.00 3.56 H new ATOM 0 HD3 LYS A 77 9.732 7.474 -0.304 1.00 3.56 H new ATOM 0 HE2 LYS A 77 11.989 7.133 -1.303 1.00 3.75 H new ATOM 0 HE3 LYS A 77 11.274 6.177 -2.586 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 11.640 8.452 -3.288 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 9.976 8.113 -3.268 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 10.669 9.039 -2.025 1.00 4.00 H new ATOM 1169 N ASP A 78 5.854 3.717 1.174 1.00 3.51 N ATOM 1170 CA ASP A 78 4.938 3.019 2.061 1.00 3.68 C ATOM 1171 C ASP A 78 4.134 2.018 1.233 1.00 3.85 C ATOM 1172 O ASP A 78 3.680 0.994 1.752 1.00 4.10 O ATOM 1173 CB ASP A 78 4.015 4.012 2.779 1.00 3.50 C ATOM 1174 CG ASP A 78 3.303 3.403 3.975 1.00 3.68 C ATOM 1175 OD1 ASP A 78 3.949 3.242 5.031 1.00 4.02 O ATOM 1176 OD2 ASP A 78 2.100 3.090 3.852 1.00 3.89 O ATOM 0 H ASP A 78 5.422 4.464 0.630 1.00 3.51 H new ATOM 0 HA ASP A 78 5.498 2.488 2.831 1.00 3.68 H new ATOM 0 HB2 ASP A 78 4.601 4.870 3.110 1.00 3.50 H new ATOM 0 HB3 ASP A 78 3.273 4.386 2.073 1.00 3.50 H new ATOM 1181 N THR A 79 3.968 2.336 -0.061 1.00 3.74 N ATOM 1182 CA THR A 79 3.251 1.477 -0.979 1.00 3.93 C ATOM 1183 C THR A 79 4.132 1.035 -2.151 1.00 3.95 C ATOM 1184 O THR A 79 3.636 0.734 -3.242 1.00 4.03 O ATOM 1185 CB THR A 79 1.955 2.152 -1.498 1.00 3.88 C ATOM 1186 OG1 THR A 79 2.273 3.357 -2.207 1.00 3.58 O ATOM 1187 CG2 THR A 79 1.010 2.477 -0.350 1.00 3.95 C ATOM 0 H THR A 79 4.329 3.191 -0.484 1.00 3.74 H new ATOM 0 HA THR A 79 2.968 0.586 -0.418 1.00 3.93 H new ATOM 0 HB THR A 79 1.461 1.452 -2.171 1.00 3.88 H new ATOM 0 HG1 THR A 79 2.291 3.175 -3.170 1.00 3.58 H new ATOM 0 HG21 THR A 79 0.110 2.949 -0.743 1.00 3.95 H new ATOM 0 HG22 THR A 79 0.740 1.558 0.170 1.00 3.95 H new ATOM 0 HG23 THR A 79 1.503 3.157 0.345 1.00 3.95 H new ATOM 1195 N ASP A 80 5.444 0.978 -1.905 1.00 3.93 N ATOM 1196 CA ASP A 80 6.410 0.550 -2.926 1.00 3.99 C ATOM 1197 C ASP A 80 6.547 -0.982 -2.950 1.00 3.80 C ATOM 1198 O ASP A 80 6.480 -1.596 -4.019 1.00 4.18 O ATOM 1199 CB ASP A 80 7.775 1.207 -2.679 1.00 4.25 C ATOM 1200 CG ASP A 80 8.632 1.279 -3.933 1.00 4.80 C ATOM 1201 OD1 ASP A 80 9.399 0.325 -4.183 1.00 5.12 O ATOM 1202 OD2 ASP A 80 8.535 2.289 -4.661 1.00 5.24 O ATOM 0 H ASP A 80 5.864 1.223 -1.008 1.00 3.93 H new ATOM 0 HA ASP A 80 6.038 0.870 -3.899 1.00 3.99 H new ATOM 0 HB2 ASP A 80 7.623 2.214 -2.290 1.00 4.25 H new ATOM 0 HB3 ASP A 80 8.309 0.646 -1.912 1.00 4.25 H new ATOM 1207 N SER A 81 6.738 -1.584 -1.765 1.00 3.49 N ATOM 1208 CA SER A 81 6.889 -3.032 -1.631 1.00 3.36 C ATOM 1209 C SER A 81 5.544 -3.765 -1.561 1.00 2.88 C ATOM 1210 O SER A 81 5.472 -4.966 -1.835 1.00 2.79 O ATOM 1211 CB SER A 81 7.731 -3.363 -0.397 1.00 3.71 C ATOM 1212 OG SER A 81 7.188 -2.768 0.770 1.00 4.35 O ATOM 0 H SER A 81 6.791 -1.079 -0.880 1.00 3.49 H new ATOM 0 HA SER A 81 7.397 -3.382 -2.530 1.00 3.36 H new ATOM 0 HB2 SER A 81 7.781 -4.444 -0.267 1.00 3.71 H new ATOM 0 HB3 SER A 81 8.752 -3.012 -0.546 1.00 3.71 H new ATOM 0 HG SER A 81 7.745 -2.997 1.543 1.00 4.35 H new ATOM 1218 N GLU A 82 4.492 -3.029 -1.195 1.00 2.97 N ATOM 1219 CA GLU A 82 3.134 -3.590 -1.067 1.00 3.25 C ATOM 1220 C GLU A 82 2.399 -3.627 -2.402 1.00 3.85 C ATOM 1221 O GLU A 82 1.512 -4.455 -2.616 1.00 4.27 O ATOM 1222 CB GLU A 82 2.317 -2.786 -0.059 1.00 3.94 C ATOM 1223 CG GLU A 82 2.756 -2.972 1.387 1.00 4.12 C ATOM 1224 CD GLU A 82 1.893 -2.196 2.363 1.00 4.93 C ATOM 1225 OE1 GLU A 82 2.241 -1.037 2.672 1.00 5.51 O ATOM 1226 OE2 GLU A 82 0.870 -2.748 2.820 1.00 5.25 O ATOM 0 H GLU A 82 4.550 -2.034 -0.979 1.00 2.97 H new ATOM 0 HA GLU A 82 3.246 -4.616 -0.716 1.00 3.25 H new ATOM 0 HB2 GLU A 82 2.384 -1.728 -0.314 1.00 3.94 H new ATOM 0 HB3 GLU A 82 1.268 -3.070 -0.148 1.00 3.94 H new ATOM 0 HG2 GLU A 82 2.721 -4.032 1.640 1.00 4.12 H new ATOM 0 HG3 GLU A 82 3.793 -2.653 1.492 1.00 4.12 H new ATOM 1233 N GLU A 83 2.753 -2.695 -3.274 1.00 4.18 N ATOM 1234 CA GLU A 83 2.174 -2.613 -4.622 1.00 5.12 C ATOM 1235 C GLU A 83 2.737 -3.717 -5.522 1.00 5.33 C ATOM 1236 O GLU A 83 2.127 -4.080 -6.531 1.00 6.21 O ATOM 1237 CB GLU A 83 2.438 -1.242 -5.247 1.00 5.53 C ATOM 1238 CG GLU A 83 1.335 -0.230 -4.979 1.00 5.74 C ATOM 1239 CD GLU A 83 1.586 1.101 -5.661 1.00 6.48 C ATOM 1240 OE1 GLU A 83 2.134 2.011 -5.004 1.00 6.88 O ATOM 1241 OE2 GLU A 83 1.234 1.233 -6.852 1.00 6.89 O ATOM 0 H GLU A 83 3.446 -1.973 -3.076 1.00 4.18 H new ATOM 0 HA GLU A 83 1.097 -2.751 -4.531 1.00 5.12 H new ATOM 0 HB2 GLU A 83 3.380 -0.851 -4.862 1.00 5.53 H new ATOM 0 HB3 GLU A 83 2.558 -1.360 -6.324 1.00 5.53 H new ATOM 0 HG2 GLU A 83 0.383 -0.636 -5.322 1.00 5.74 H new ATOM 0 HG3 GLU A 83 1.245 -0.072 -3.904 1.00 5.74 H new ATOM 1248 N GLU A 84 3.911 -4.238 -5.132 1.00 4.72 N ATOM 1249 CA GLU A 84 4.604 -5.297 -5.875 1.00 5.16 C ATOM 1250 C GLU A 84 4.053 -6.697 -5.551 1.00 4.87 C ATOM 1251 O GLU A 84 4.040 -7.568 -6.425 1.00 5.53 O ATOM 1252 CB GLU A 84 6.110 -5.249 -5.585 1.00 5.11 C ATOM 1253 CG GLU A 84 6.794 -3.963 -6.035 1.00 5.77 C ATOM 1254 CD GLU A 84 8.290 -3.984 -5.792 1.00 6.38 C ATOM 1255 OE1 GLU A 84 9.033 -4.425 -6.695 1.00 6.86 O ATOM 1256 OE2 GLU A 84 8.720 -3.559 -4.699 1.00 6.68 O ATOM 0 H GLU A 84 4.405 -3.935 -4.292 1.00 4.72 H new ATOM 0 HA GLU A 84 4.427 -5.114 -6.935 1.00 5.16 H new ATOM 0 HB2 GLU A 84 6.266 -5.374 -4.514 1.00 5.11 H new ATOM 0 HB3 GLU A 84 6.590 -6.094 -6.078 1.00 5.11 H new ATOM 0 HG2 GLU A 84 6.604 -3.807 -7.097 1.00 5.77 H new ATOM 0 HG3 GLU A 84 6.355 -3.118 -5.505 1.00 5.77 H new ATOM 1263 N ILE A 85 3.602 -6.913 -4.295 1.00 3.98 N ATOM 1264 CA ILE A 85 3.041 -8.213 -3.864 1.00 3.69 C ATOM 1265 C ILE A 85 1.736 -8.518 -4.563 1.00 4.63 C ATOM 1266 O ILE A 85 1.603 -9.552 -5.220 1.00 5.03 O ATOM 1267 CB ILE A 85 2.894 -8.329 -2.319 1.00 2.77 C ATOM 1268 CG1 ILE A 85 2.299 -7.066 -1.684 1.00 3.16 C ATOM 1269 CG2 ILE A 85 4.255 -8.598 -1.717 1.00 1.99 C ATOM 1270 CD1 ILE A 85 1.141 -7.326 -0.744 1.00 3.97 C ATOM 0 H ILE A 85 3.616 -6.204 -3.562 1.00 3.98 H new ATOM 0 HA ILE A 85 3.767 -8.968 -4.164 1.00 3.69 H new ATOM 0 HB ILE A 85 2.204 -9.148 -2.114 1.00 2.77 H new ATOM 0 HG12 ILE A 85 3.085 -6.544 -1.138 1.00 3.16 H new ATOM 0 HG13 ILE A 85 1.964 -6.398 -2.478 1.00 3.16 H new ATOM 0 HG21 ILE A 85 4.164 -8.681 -0.634 1.00 1.99 H new ATOM 0 HG22 ILE A 85 4.654 -9.529 -2.120 1.00 1.99 H new ATOM 0 HG23 ILE A 85 4.930 -7.778 -1.962 1.00 1.99 H new ATOM 0 HD11 ILE A 85 0.781 -6.380 -0.340 1.00 3.97 H new ATOM 0 HD12 ILE A 85 0.335 -7.819 -1.287 1.00 3.97 H new ATOM 0 HD13 ILE A 85 1.472 -7.967 0.073 1.00 3.97 H new ATOM 1282 N ARG A 86 0.797 -7.597 -4.455 1.00 5.19 N ATOM 1283 CA ARG A 86 -0.496 -7.722 -5.135 1.00 6.32 C ATOM 1284 C ARG A 86 -0.290 -7.821 -6.635 1.00 7.11 C ATOM 1285 O ARG A 86 -1.155 -8.310 -7.368 1.00 7.98 O ATOM 1286 CB ARG A 86 -1.344 -6.489 -4.909 1.00 6.99 C ATOM 1287 CG ARG A 86 -2.570 -6.732 -4.046 1.00 7.36 C ATOM 1288 CD ARG A 86 -3.375 -5.457 -3.850 1.00 8.25 C ATOM 1289 NE ARG A 86 -4.552 -5.675 -3.002 1.00 8.76 N ATOM 1290 CZ ARG A 86 -5.416 -4.718 -2.632 1.00 9.65 C ATOM 1291 NH1 ARG A 86 -5.255 -3.455 -3.026 1.00 10.08 N ATOM 1292 NH2 ARG A 86 -6.448 -5.030 -1.861 1.00 10.26 N ATOM 0 H ARG A 86 0.898 -6.746 -3.901 1.00 5.19 H new ATOM 0 HA ARG A 86 -0.983 -8.611 -4.735 1.00 6.32 H new ATOM 0 HB2 ARG A 86 -0.730 -5.719 -4.442 1.00 6.99 H new ATOM 0 HB3 ARG A 86 -1.664 -6.099 -5.875 1.00 6.99 H new ATOM 0 HG2 ARG A 86 -3.198 -7.492 -4.510 1.00 7.36 H new ATOM 0 HG3 ARG A 86 -2.262 -7.122 -3.076 1.00 7.36 H new ATOM 0 HD2 ARG A 86 -2.741 -4.693 -3.400 1.00 8.25 H new ATOM 0 HD3 ARG A 86 -3.693 -5.076 -4.821 1.00 8.25 H new ATOM 0 HE ARG A 86 -4.726 -6.623 -2.669 1.00 8.76 H new ATOM 0 HH11 ARG A 86 -4.464 -3.203 -3.619 1.00 10.08 H new ATOM 0 HH12 ARG A 86 -5.922 -2.741 -2.735 1.00 10.08 H new ATOM 0 HH21 ARG A 86 -6.581 -5.993 -1.553 1.00 10.26 H new ATOM 0 HH22 ARG A 86 -7.109 -4.307 -1.576 1.00 10.26 H new ATOM 1306 N GLU A 87 0.883 -7.347 -7.068 1.00 6.95 N ATOM 1307 CA GLU A 87 1.209 -7.307 -8.478 1.00 7.91 C ATOM 1308 C GLU A 87 1.803 -8.632 -8.963 1.00 7.97 C ATOM 1309 O GLU A 87 1.539 -9.079 -10.083 1.00 8.94 O ATOM 1310 CB GLU A 87 2.165 -6.146 -8.777 1.00 8.02 C ATOM 1311 CG GLU A 87 1.983 -5.533 -10.160 1.00 8.75 C ATOM 1312 CD GLU A 87 2.942 -4.389 -10.422 1.00 9.11 C ATOM 1313 OE1 GLU A 87 2.586 -3.233 -10.113 1.00 9.62 O ATOM 1314 OE2 GLU A 87 4.051 -4.650 -10.936 1.00 9.05 O ATOM 0 H GLU A 87 1.615 -6.988 -6.455 1.00 6.95 H new ATOM 0 HA GLU A 87 0.280 -7.146 -9.024 1.00 7.91 H new ATOM 0 HB2 GLU A 87 2.023 -5.370 -8.025 1.00 8.02 H new ATOM 0 HB3 GLU A 87 3.191 -6.500 -8.680 1.00 8.02 H new ATOM 0 HG2 GLU A 87 2.128 -6.304 -10.917 1.00 8.75 H new ATOM 0 HG3 GLU A 87 0.959 -5.174 -10.262 1.00 8.75 H new ATOM 1321 N ALA A 88 2.607 -9.235 -8.087 1.00 7.00 N ATOM 1322 CA ALA A 88 3.298 -10.501 -8.359 1.00 7.06 C ATOM 1323 C ALA A 88 2.378 -11.702 -8.203 1.00 7.01 C ATOM 1324 O ALA A 88 2.304 -12.554 -9.076 1.00 7.73 O ATOM 1325 CB ALA A 88 4.476 -10.656 -7.432 1.00 6.21 C ATOM 0 H ALA A 88 2.800 -8.857 -7.160 1.00 7.00 H new ATOM 0 HA ALA A 88 3.635 -10.467 -9.395 1.00 7.06 H new ATOM 0 HB1 ALA A 88 4.982 -11.598 -7.641 1.00 6.21 H new ATOM 0 HB2 ALA A 88 5.170 -9.829 -7.584 1.00 6.21 H new ATOM 0 HB3 ALA A 88 4.129 -10.653 -6.399 1.00 6.21 H new ATOM 1331 N PHE A 89 1.736 -11.798 -7.045 1.00 6.21 N ATOM 1332 CA PHE A 89 0.769 -12.860 -6.747 1.00 6.21 C ATOM 1333 C PHE A 89 -0.278 -13.076 -7.851 1.00 7.49 C ATOM 1334 O PHE A 89 -0.929 -14.119 -7.896 1.00 7.70 O ATOM 1335 CB PHE A 89 0.123 -12.550 -5.411 1.00 5.56 C ATOM 1336 CG PHE A 89 1.055 -12.843 -4.290 1.00 4.24 C ATOM 1337 CD1 PHE A 89 1.040 -14.087 -3.702 1.00 3.84 C ATOM 1338 CD2 PHE A 89 1.967 -11.891 -3.840 1.00 3.79 C ATOM 1339 CE1 PHE A 89 1.895 -14.386 -2.689 1.00 2.77 C ATOM 1340 CE2 PHE A 89 2.824 -12.181 -2.823 1.00 2.72 C ATOM 1341 CZ PHE A 89 2.784 -13.441 -2.241 1.00 1.93 C ATOM 0 H PHE A 89 1.869 -11.139 -6.278 1.00 6.21 H new ATOM 0 HA PHE A 89 1.307 -13.807 -6.699 1.00 6.21 H new ATOM 0 HB2 PHE A 89 -0.171 -11.501 -5.380 1.00 5.56 H new ATOM 0 HB3 PHE A 89 -0.786 -13.140 -5.297 1.00 5.56 H new ATOM 0 HD1 PHE A 89 0.341 -14.834 -4.049 1.00 3.84 H new ATOM 0 HD2 PHE A 89 1.994 -10.915 -4.302 1.00 3.79 H new ATOM 0 HE1 PHE A 89 1.875 -15.367 -2.237 1.00 2.77 H new ATOM 0 HE2 PHE A 89 3.527 -11.440 -2.473 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.457 -13.679 -1.430 1.00 1.93 H new ATOM 1351 N ARG A 90 -0.435 -12.084 -8.736 1.00 8.36 N ATOM 1352 CA ARG A 90 -1.359 -12.190 -9.868 1.00 9.63 C ATOM 1353 C ARG A 90 -0.754 -13.075 -10.975 1.00 10.20 C ATOM 1354 O ARG A 90 -1.447 -13.452 -11.924 1.00 11.20 O ATOM 1355 CB ARG A 90 -1.688 -10.801 -10.427 1.00 10.38 C ATOM 1356 CG ARG A 90 -2.608 -9.980 -9.535 1.00 10.73 C ATOM 1357 CD ARG A 90 -2.895 -8.613 -10.136 1.00 11.51 C ATOM 1358 NE ARG A 90 -3.779 -7.812 -9.282 1.00 12.01 N ATOM 1359 CZ ARG A 90 -4.206 -6.575 -9.573 1.00 12.77 C ATOM 1360 NH1 ARG A 90 -3.842 -5.967 -10.701 1.00 13.10 N ATOM 1361 NH2 ARG A 90 -5.006 -5.942 -8.725 1.00 13.29 N ATOM 0 H ARG A 90 0.068 -11.198 -8.688 1.00 8.36 H new ATOM 0 HA ARG A 90 -2.281 -12.651 -9.514 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -0.759 -10.251 -10.578 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -2.154 -10.915 -11.406 1.00 10.38 H new ATOM 0 HG2 ARG A 90 -3.545 -10.517 -9.385 1.00 10.73 H new ATOM 0 HG3 ARG A 90 -2.150 -9.858 -8.553 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -1.957 -8.080 -10.288 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -3.354 -8.737 -11.117 1.00 11.51 H new ATOM 0 HE ARG A 90 -4.091 -8.226 -8.404 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -3.228 -6.443 -11.362 1.00 13.10 H new ATOM 0 HH12 ARG A 90 -4.178 -5.025 -10.904 1.00 13.10 H new ATOM 0 HH21 ARG A 90 -5.292 -6.397 -7.858 1.00 13.29 H new ATOM 0 HH22 ARG A 90 -5.335 -5.001 -8.940 1.00 13.29 H new ATOM 1375 N VAL A 91 0.550 -13.394 -10.833 1.00 9.66 N ATOM 1376 CA VAL A 91 1.274 -14.217 -11.769 1.00 10.29 C ATOM 1377 C VAL A 91 1.407 -15.648 -11.268 1.00 9.81 C ATOM 1378 O VAL A 91 1.105 -16.604 -11.988 1.00 10.52 O ATOM 1379 CB VAL A 91 2.703 -13.694 -12.030 1.00 10.33 C ATOM 1380 CG1 VAL A 91 3.059 -13.770 -13.508 1.00 11.64 C ATOM 1381 CG2 VAL A 91 2.941 -12.292 -11.485 1.00 9.85 C ATOM 0 H VAL A 91 1.118 -13.073 -10.049 1.00 9.66 H new ATOM 0 HA VAL A 91 0.693 -14.182 -12.690 1.00 10.29 H new ATOM 0 HB VAL A 91 3.369 -14.356 -11.477 1.00 10.33 H new ATOM 0 HG11 VAL A 91 4.071 -13.394 -13.658 1.00 11.64 H new ATOM 0 HG12 VAL A 91 3.003 -14.806 -13.843 1.00 11.64 H new ATOM 0 HG13 VAL A 91 2.358 -13.164 -14.083 1.00 11.64 H new ATOM 0 HG21 VAL A 91 3.964 -11.986 -11.703 1.00 9.85 H new ATOM 0 HG22 VAL A 91 2.246 -11.596 -11.955 1.00 9.85 H new ATOM 0 HG23 VAL A 91 2.783 -12.289 -10.407 1.00 9.85 H new ATOM 1391 N PHE A 92 1.866 -15.767 -10.026 1.00 8.63 N ATOM 1392 CA PHE A 92 2.114 -17.071 -9.404 1.00 8.08 C ATOM 1393 C PHE A 92 0.935 -17.581 -8.582 1.00 7.58 C ATOM 1394 O PHE A 92 0.753 -18.792 -8.462 1.00 7.57 O ATOM 1395 CB PHE A 92 3.307 -16.992 -8.448 1.00 7.14 C ATOM 1396 CG PHE A 92 4.486 -16.178 -8.912 1.00 7.60 C ATOM 1397 CD1 PHE A 92 5.571 -16.794 -9.509 1.00 7.95 C ATOM 1398 CD2 PHE A 92 4.532 -14.805 -8.694 1.00 7.88 C ATOM 1399 CE1 PHE A 92 6.680 -16.062 -9.880 1.00 8.45 C ATOM 1400 CE2 PHE A 92 5.634 -14.071 -9.066 1.00 8.39 C ATOM 1401 CZ PHE A 92 6.715 -14.699 -9.656 1.00 8.62 C ATOM 0 H PHE A 92 2.076 -14.971 -9.423 1.00 8.63 H new ATOM 0 HA PHE A 92 2.297 -17.753 -10.235 1.00 8.08 H new ATOM 0 HB2 PHE A 92 2.959 -16.579 -7.501 1.00 7.14 H new ATOM 0 HB3 PHE A 92 3.651 -18.007 -8.247 1.00 7.14 H new ATOM 0 HD1 PHE A 92 5.550 -17.859 -9.687 1.00 7.95 H new ATOM 0 HD2 PHE A 92 3.693 -14.310 -8.228 1.00 7.88 H new ATOM 0 HE1 PHE A 92 7.521 -16.554 -10.346 1.00 8.45 H new ATOM 0 HE2 PHE A 92 5.655 -13.004 -8.897 1.00 8.39 H new ATOM 0 HZ PHE A 92 7.585 -14.126 -9.941 1.00 8.62 H new ATOM 1411 N ALA A 93 0.149 -16.665 -8.018 1.00 7.32 N ATOM 1412 CA ALA A 93 -0.992 -17.045 -7.194 1.00 7.11 C ATOM 1413 C ALA A 93 -2.309 -16.925 -7.970 1.00 8.33 C ATOM 1414 O ALA A 93 -3.087 -15.979 -7.791 1.00 8.83 O ATOM 1415 CB ALA A 93 -0.972 -16.257 -5.883 1.00 6.22 C ATOM 0 H ALA A 93 0.283 -15.659 -8.117 1.00 7.32 H new ATOM 0 HA ALA A 93 -0.914 -18.100 -6.929 1.00 7.11 H new ATOM 0 HB1 ALA A 93 -1.827 -16.546 -5.272 1.00 6.22 H new ATOM 0 HB2 ALA A 93 -0.050 -16.473 -5.343 1.00 6.22 H new ATOM 0 HB3 ALA A 93 -1.024 -15.190 -6.099 1.00 6.22 H new ATOM 1421 N LYS A 94 -2.522 -17.908 -8.861 1.00 8.92 N ATOM 1422 CA LYS A 94 -3.711 -18.006 -9.708 1.00 10.13 C ATOM 1423 C LYS A 94 -4.974 -18.333 -8.927 1.00 10.64 C ATOM 1424 O LYS A 94 -4.972 -19.183 -8.032 1.00 11.32 O ATOM 1425 CB LYS A 94 -3.467 -19.063 -10.788 1.00 10.90 C ATOM 1426 CG LYS A 94 -3.676 -18.563 -12.218 1.00 11.36 C ATOM 1427 CD LYS A 94 -2.406 -17.942 -12.809 1.00 11.16 C ATOM 1428 CE LYS A 94 -2.307 -16.446 -12.531 1.00 10.61 C ATOM 1429 NZ LYS A 94 -1.201 -15.814 -13.301 1.00 11.01 N ATOM 0 H LYS A 94 -1.858 -18.667 -9.011 1.00 8.92 H new ATOM 0 HA LYS A 94 -3.876 -17.028 -10.159 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -2.447 -19.435 -10.691 1.00 10.90 H new ATOM 0 HB3 LYS A 94 -4.133 -19.907 -10.610 1.00 10.90 H new ATOM 0 HG2 LYS A 94 -3.999 -19.393 -12.847 1.00 11.36 H new ATOM 0 HG3 LYS A 94 -4.478 -17.825 -12.229 1.00 11.36 H new ATOM 0 HD2 LYS A 94 -1.532 -18.444 -12.394 1.00 11.16 H new ATOM 0 HD3 LYS A 94 -2.389 -18.111 -13.886 1.00 11.16 H new ATOM 0 HE2 LYS A 94 -3.251 -15.965 -12.788 1.00 10.61 H new ATOM 0 HE3 LYS A 94 -2.147 -16.284 -11.465 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 -1.165 -14.797 -13.086 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 -0.297 -16.256 -13.037 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 -1.367 -15.947 -14.319 1.00 11.01 H new ATOM 1443 N ASP A 95 -6.054 -17.630 -9.296 1.00 10.41 N ATOM 1444 CA ASP A 95 -7.371 -17.804 -8.691 1.00 10.95 C ATOM 1445 C ASP A 95 -8.090 -19.020 -9.290 1.00 11.36 C ATOM 1446 O ASP A 95 -9.318 -19.152 -9.212 1.00 11.72 O ATOM 1447 CB ASP A 95 -8.202 -16.521 -8.861 1.00 10.75 C ATOM 1448 CG ASP A 95 -9.251 -16.342 -7.775 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -10.141 -17.210 -7.657 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -9.184 -15.328 -7.050 1.00 10.72 O ATOM 0 H ASP A 95 -6.032 -16.921 -10.029 1.00 10.41 H new ATOM 0 HA ASP A 95 -7.247 -17.991 -7.624 1.00 10.95 H new ATOM 0 HB2 ASP A 95 -7.534 -15.660 -8.858 1.00 10.75 H new ATOM 0 HB3 ASP A 95 -8.694 -16.540 -9.834 1.00 10.75 H new ATOM 1455 N GLY A 96 -7.274 -19.895 -9.880 1.00 11.41 N ATOM 1456 CA GLY A 96 -7.740 -21.142 -10.526 1.00 11.89 C ATOM 1457 C GLY A 96 -8.745 -21.947 -9.717 1.00 11.67 C ATOM 1458 O GLY A 96 -9.935 -21.627 -9.662 1.00 11.82 O ATOM 0 H GLY A 96 -6.263 -19.766 -9.928 1.00 11.41 H new ATOM 0 HA2 GLY A 96 -8.188 -20.890 -11.487 1.00 11.89 H new ATOM 0 HA3 GLY A 96 -6.875 -21.772 -10.733 1.00 11.89 H new ATOM 1462 N ASN A 97 -8.221 -23.004 -9.108 1.00 11.48 N ATOM 1463 CA ASN A 97 -8.964 -23.944 -8.268 1.00 11.39 C ATOM 1464 C ASN A 97 -9.511 -23.307 -6.997 1.00 11.24 C ATOM 1465 O ASN A 97 -10.417 -23.838 -6.349 1.00 11.69 O ATOM 1466 CB ASN A 97 -7.982 -25.006 -7.852 1.00 10.47 C ATOM 1467 CG ASN A 97 -8.485 -26.414 -8.104 1.00 10.82 C ATOM 1468 OD1 ASN A 97 -8.265 -26.983 -9.173 1.00 11.12 O ATOM 1469 ND2 ASN A 97 -9.165 -26.985 -7.116 1.00 10.95 N ATOM 0 H ASN A 97 -7.232 -23.241 -9.186 1.00 11.48 H new ATOM 0 HA ASN A 97 -9.814 -24.321 -8.837 1.00 11.39 H new ATOM 0 HB2 ASN A 97 -7.047 -24.859 -8.392 1.00 10.47 H new ATOM 0 HB3 ASN A 97 -7.759 -24.891 -6.791 1.00 10.47 H new ATOM 0 HD21 ASN A 97 -9.528 -27.932 -7.227 1.00 10.95 H new ATOM 0 HD22 ASN A 97 -9.324 -26.477 -6.246 1.00 10.95 H new ATOM 1476 N GLY A 98 -8.933 -22.170 -6.680 1.00 10.71 N ATOM 1477 CA GLY A 98 -9.262 -21.436 -5.479 1.00 10.57 C ATOM 1478 C GLY A 98 -8.102 -21.490 -4.508 1.00 9.35 C ATOM 1479 O GLY A 98 -8.182 -20.959 -3.399 1.00 9.23 O ATOM 0 H GLY A 98 -8.216 -21.725 -7.253 1.00 10.71 H new ATOM 0 HA2 GLY A 98 -9.492 -20.400 -5.727 1.00 10.57 H new ATOM 0 HA3 GLY A 98 -10.154 -21.859 -5.017 1.00 10.57 H new ATOM 1483 N TYR A 99 -7.050 -22.212 -4.918 1.00 8.53 N ATOM 1484 CA TYR A 99 -5.825 -22.323 -4.158 1.00 7.35 C ATOM 1485 C TYR A 99 -4.606 -22.033 -5.049 1.00 6.60 C ATOM 1486 O TYR A 99 -4.728 -21.468 -6.140 1.00 6.68 O ATOM 1487 CB TYR A 99 -5.682 -23.722 -3.525 1.00 7.03 C ATOM 1488 CG TYR A 99 -6.709 -24.051 -2.477 1.00 7.42 C ATOM 1489 CD1 TYR A 99 -7.980 -24.470 -2.854 1.00 7.29 C ATOM 1490 CD2 TYR A 99 -6.411 -23.952 -1.113 1.00 8.16 C ATOM 1491 CE1 TYR A 99 -8.934 -24.780 -1.905 1.00 7.85 C ATOM 1492 CE2 TYR A 99 -7.365 -24.263 -0.162 1.00 8.71 C ATOM 1493 CZ TYR A 99 -8.623 -24.674 -0.563 1.00 8.53 C ATOM 1494 OH TYR A 99 -9.573 -24.983 0.384 1.00 9.21 O ATOM 0 H TYR A 99 -7.038 -22.734 -5.794 1.00 8.53 H new ATOM 0 HA TYR A 99 -5.869 -21.584 -3.358 1.00 7.35 H new ATOM 0 HB2 TYR A 99 -5.739 -24.470 -4.316 1.00 7.03 H new ATOM 0 HB3 TYR A 99 -4.691 -23.804 -3.079 1.00 7.03 H new ATOM 0 HD1 TYR A 99 -8.224 -24.554 -3.903 1.00 7.29 H new ATOM 0 HD2 TYR A 99 -5.428 -23.630 -0.801 1.00 8.16 H new ATOM 0 HE1 TYR A 99 -9.918 -25.104 -2.210 1.00 7.85 H new ATOM 0 HE2 TYR A 99 -7.129 -24.185 0.889 1.00 8.71 H new ATOM 0 HH TYR A 99 -9.195 -24.858 1.279 1.00 9.21 H new ATOM 1504 N ILE A 100 -3.433 -22.436 -4.543 1.00 6.19 N ATOM 1505 CA ILE A 100 -2.138 -22.324 -5.216 1.00 5.73 C ATOM 1506 C ILE A 100 -1.075 -22.865 -4.256 1.00 4.64 C ATOM 1507 O ILE A 100 -1.111 -22.548 -3.063 1.00 4.17 O ATOM 1508 CB ILE A 100 -1.796 -20.869 -5.700 1.00 5.84 C ATOM 1509 CG1 ILE A 100 -0.623 -20.901 -6.696 1.00 5.96 C ATOM 1510 CG2 ILE A 100 -1.503 -19.916 -4.537 1.00 5.70 C ATOM 1511 CD1 ILE A 100 -1.053 -21.128 -8.134 1.00 6.65 C ATOM 0 H ILE A 100 -3.360 -22.864 -3.620 1.00 6.19 H new ATOM 0 HA ILE A 100 -2.170 -22.910 -6.135 1.00 5.73 H new ATOM 0 HB ILE A 100 -2.680 -20.479 -6.205 1.00 5.84 H new ATOM 0 HG12 ILE A 100 -0.078 -19.959 -6.633 1.00 5.96 H new ATOM 0 HG13 ILE A 100 0.070 -21.690 -6.404 1.00 5.96 H new ATOM 0 HG21 ILE A 100 -1.273 -18.925 -4.928 1.00 5.70 H new ATOM 0 HG22 ILE A 100 -2.376 -19.856 -3.887 1.00 5.70 H new ATOM 0 HG23 ILE A 100 -0.651 -20.288 -3.967 1.00 5.70 H new ATOM 0 HD11 ILE A 100 -0.174 -21.139 -8.779 1.00 6.65 H new ATOM 0 HD12 ILE A 100 -1.572 -22.083 -8.212 1.00 6.65 H new ATOM 0 HD13 ILE A 100 -1.722 -20.325 -8.445 1.00 6.65 H new ATOM 1523 N SER A 101 -0.131 -23.670 -4.761 1.00 4.56 N ATOM 1524 CA SER A 101 0.888 -24.256 -3.897 1.00 3.87 C ATOM 1525 C SER A 101 1.778 -23.213 -3.244 1.00 3.18 C ATOM 1526 O SER A 101 2.213 -22.245 -3.875 1.00 3.33 O ATOM 1527 CB SER A 101 1.731 -25.297 -4.630 1.00 4.59 C ATOM 1528 OG SER A 101 2.600 -24.703 -5.584 1.00 5.48 O ATOM 0 H SER A 101 -0.056 -23.924 -5.746 1.00 4.56 H new ATOM 0 HA SER A 101 0.342 -24.761 -3.100 1.00 3.87 H new ATOM 0 HB2 SER A 101 2.319 -25.862 -3.907 1.00 4.59 H new ATOM 0 HB3 SER A 101 1.074 -26.008 -5.131 1.00 4.59 H new ATOM 0 HG SER A 101 3.123 -25.402 -6.030 1.00 5.48 H new ATOM 1534 N ALA A 102 2.027 -23.451 -1.959 1.00 2.74 N ATOM 1535 CA ALA A 102 2.875 -22.580 -1.122 1.00 2.63 C ATOM 1536 C ALA A 102 4.330 -22.484 -1.617 1.00 3.39 C ATOM 1537 O ALA A 102 5.063 -21.573 -1.222 1.00 3.61 O ATOM 1538 CB ALA A 102 2.853 -23.071 0.314 1.00 3.06 C ATOM 0 H ALA A 102 1.648 -24.255 -1.459 1.00 2.74 H new ATOM 0 HA ALA A 102 2.455 -21.576 -1.190 1.00 2.63 H new ATOM 0 HB1 ALA A 102 3.480 -22.426 0.929 1.00 3.06 H new ATOM 0 HB2 ALA A 102 1.830 -23.049 0.691 1.00 3.06 H new ATOM 0 HB3 ALA A 102 3.233 -24.092 0.355 1.00 3.06 H new ATOM 1544 N ALA A 103 4.732 -23.429 -2.481 1.00 4.09 N ATOM 1545 CA ALA A 103 6.094 -23.484 -3.037 1.00 5.20 C ATOM 1546 C ALA A 103 6.432 -22.291 -3.949 1.00 5.47 C ATOM 1547 O ALA A 103 7.611 -22.011 -4.184 1.00 6.33 O ATOM 1548 CB ALA A 103 6.290 -24.787 -3.796 1.00 5.96 C ATOM 0 H ALA A 103 4.123 -24.176 -2.814 1.00 4.09 H new ATOM 0 HA ALA A 103 6.778 -23.431 -2.190 1.00 5.20 H new ATOM 0 HB1 ALA A 103 7.300 -24.821 -4.205 1.00 5.96 H new ATOM 0 HB2 ALA A 103 6.144 -25.628 -3.118 1.00 5.96 H new ATOM 0 HB3 ALA A 103 5.567 -24.847 -4.609 1.00 5.96 H new ATOM 1554 N GLU A 104 5.399 -21.597 -4.456 1.00 4.91 N ATOM 1555 CA GLU A 104 5.597 -20.443 -5.352 1.00 5.33 C ATOM 1556 C GLU A 104 5.944 -19.160 -4.588 1.00 4.76 C ATOM 1557 O GLU A 104 6.730 -18.349 -5.082 1.00 5.38 O ATOM 1558 CB GLU A 104 4.363 -20.208 -6.225 1.00 5.44 C ATOM 1559 CG GLU A 104 4.175 -21.254 -7.314 1.00 6.31 C ATOM 1560 CD GLU A 104 2.981 -20.967 -8.202 1.00 6.92 C ATOM 1561 OE1 GLU A 104 3.052 -20.011 -9.003 1.00 7.26 O ATOM 1562 OE2 GLU A 104 1.976 -21.701 -8.101 1.00 7.37 O ATOM 0 H GLU A 104 4.421 -21.813 -4.262 1.00 4.91 H new ATOM 0 HA GLU A 104 6.447 -20.690 -5.989 1.00 5.33 H new ATOM 0 HB2 GLU A 104 3.477 -20.194 -5.590 1.00 5.44 H new ATOM 0 HB3 GLU A 104 4.439 -19.224 -6.688 1.00 5.44 H new ATOM 0 HG2 GLU A 104 5.075 -21.300 -7.927 1.00 6.31 H new ATOM 0 HG3 GLU A 104 4.052 -22.234 -6.853 1.00 6.31 H new ATOM 1569 N LEU A 105 5.332 -18.969 -3.400 1.00 3.64 N ATOM 1570 CA LEU A 105 5.579 -17.798 -2.532 1.00 3.09 C ATOM 1571 C LEU A 105 7.042 -17.487 -2.341 1.00 4.03 C ATOM 1572 O LEU A 105 7.445 -16.326 -2.342 1.00 4.13 O ATOM 1573 CB LEU A 105 5.009 -18.030 -1.137 1.00 2.35 C ATOM 1574 CG LEU A 105 3.602 -18.637 -1.063 1.00 1.65 C ATOM 1575 CD1 LEU A 105 3.376 -19.282 0.288 1.00 2.00 C ATOM 1576 CD2 LEU A 105 2.543 -17.583 -1.354 1.00 1.38 C ATOM 0 H LEU A 105 4.651 -19.624 -3.015 1.00 3.64 H new ATOM 0 HA LEU A 105 5.095 -16.966 -3.044 1.00 3.09 H new ATOM 0 HB2 LEU A 105 5.691 -18.684 -0.594 1.00 2.35 H new ATOM 0 HB3 LEU A 105 4.997 -17.076 -0.611 1.00 2.35 H new ATOM 0 HG LEU A 105 3.518 -19.411 -1.826 1.00 1.65 H new ATOM 0 HD11 LEU A 105 2.373 -19.708 0.325 1.00 2.00 H new ATOM 0 HD12 LEU A 105 4.112 -20.072 0.442 1.00 2.00 H new ATOM 0 HD13 LEU A 105 3.480 -18.531 1.072 1.00 2.00 H new ATOM 0 HD21 LEU A 105 1.553 -18.036 -1.296 1.00 1.38 H new ATOM 0 HD22 LEU A 105 2.618 -16.780 -0.621 1.00 1.38 H new ATOM 0 HD23 LEU A 105 2.698 -17.177 -2.354 1.00 1.38 H new ATOM 1588 N ARG A 106 7.826 -18.538 -2.158 1.00 4.83 N ATOM 1589 CA ARG A 106 9.259 -18.398 -1.942 1.00 5.95 C ATOM 1590 C ARG A 106 9.923 -17.791 -3.162 1.00 6.65 C ATOM 1591 O ARG A 106 11.020 -17.254 -3.089 1.00 7.39 O ATOM 1592 CB ARG A 106 9.926 -19.738 -1.605 1.00 6.81 C ATOM 1593 CG ARG A 106 9.335 -20.477 -0.401 1.00 6.46 C ATOM 1594 CD ARG A 106 8.278 -21.468 -0.835 1.00 5.99 C ATOM 1595 NE ARG A 106 8.863 -22.728 -1.310 1.00 6.40 N ATOM 1596 CZ ARG A 106 8.582 -23.941 -0.810 1.00 6.89 C ATOM 1597 NH1 ARG A 106 7.718 -24.092 0.193 1.00 7.08 N ATOM 1598 NH2 ARG A 106 9.173 -25.011 -1.321 1.00 7.37 N ATOM 0 H ARG A 106 7.493 -19.502 -2.155 1.00 4.83 H new ATOM 0 HA ARG A 106 9.389 -17.735 -1.087 1.00 5.95 H new ATOM 0 HB2 ARG A 106 9.860 -20.388 -2.478 1.00 6.81 H new ATOM 0 HB3 ARG A 106 10.985 -19.561 -1.418 1.00 6.81 H new ATOM 0 HG2 ARG A 106 10.128 -20.998 0.135 1.00 6.46 H new ATOM 0 HG3 ARG A 106 8.900 -19.758 0.293 1.00 6.46 H new ATOM 0 HD2 ARG A 106 7.608 -21.672 0.001 1.00 5.99 H new ATOM 0 HD3 ARG A 106 7.673 -21.028 -1.628 1.00 5.99 H new ATOM 0 HE ARG A 106 9.533 -22.678 -2.077 1.00 6.40 H new ATOM 0 HH11 ARG A 106 7.256 -23.276 0.595 1.00 7.08 H new ATOM 0 HH12 ARG A 106 7.518 -25.023 0.558 1.00 7.08 H new ATOM 0 HH21 ARG A 106 9.836 -24.909 -2.089 1.00 7.37 H new ATOM 0 HH22 ARG A 106 8.965 -25.937 -0.946 1.00 7.37 H new ATOM 1612 N HIS A 107 9.255 -17.961 -4.286 1.00 6.60 N ATOM 1613 CA HIS A 107 9.668 -17.384 -5.540 1.00 7.43 C ATOM 1614 C HIS A 107 8.987 -16.023 -5.728 1.00 6.90 C ATOM 1615 O HIS A 107 9.469 -15.195 -6.501 1.00 7.61 O ATOM 1616 CB HIS A 107 9.334 -18.313 -6.711 1.00 8.00 C ATOM 1617 CG HIS A 107 10.166 -19.559 -6.751 1.00 8.87 C ATOM 1618 ND1 HIS A 107 11.247 -19.716 -7.595 1.00 9.79 N ATOM 1619 CD2 HIS A 107 10.071 -20.712 -6.047 1.00 9.07 C ATOM 1620 CE1 HIS A 107 11.779 -20.911 -7.408 1.00 10.41 C ATOM 1621 NE2 HIS A 107 11.084 -21.534 -6.474 1.00 10.03 N ATOM 0 H HIS A 107 8.399 -18.512 -4.350 1.00 6.60 H new ATOM 0 HA HIS A 107 10.749 -17.248 -5.521 1.00 7.43 H new ATOM 0 HB2 HIS A 107 8.282 -18.592 -6.653 1.00 8.00 H new ATOM 0 HB3 HIS A 107 9.468 -17.768 -7.645 1.00 8.00 H new ATOM 0 HD2 HIS A 107 9.335 -20.942 -5.291 1.00 9.07 H new ATOM 0 HE1 HIS A 107 12.636 -21.310 -7.930 1.00 10.41 H new ATOM 0 HE2 HIS A 107 11.270 -22.475 -6.126 1.00 10.03 H new ATOM 1630 N VAL A 108 7.852 -15.805 -5.013 1.00 5.69 N ATOM 1631 CA VAL A 108 7.106 -14.549 -5.095 1.00 5.20 C ATOM 1632 C VAL A 108 7.643 -13.504 -4.140 1.00 4.84 C ATOM 1633 O VAL A 108 8.120 -12.458 -4.572 1.00 5.36 O ATOM 1634 CB VAL A 108 5.584 -14.758 -4.810 1.00 4.27 C ATOM 1635 CG1 VAL A 108 4.796 -13.467 -4.999 1.00 4.16 C ATOM 1636 CG2 VAL A 108 4.993 -15.887 -5.637 1.00 4.80 C ATOM 0 H VAL A 108 7.445 -16.491 -4.377 1.00 5.69 H new ATOM 0 HA VAL A 108 7.235 -14.194 -6.117 1.00 5.20 H new ATOM 0 HB VAL A 108 5.500 -15.050 -3.763 1.00 4.27 H new ATOM 0 HG11 VAL A 108 3.742 -13.651 -4.792 1.00 4.16 H new ATOM 0 HG12 VAL A 108 5.173 -12.707 -4.315 1.00 4.16 H new ATOM 0 HG13 VAL A 108 4.909 -13.119 -6.026 1.00 4.16 H new ATOM 0 HG21 VAL A 108 3.934 -15.993 -5.403 1.00 4.80 H new ATOM 0 HG22 VAL A 108 5.110 -15.661 -6.697 1.00 4.80 H new ATOM 0 HG23 VAL A 108 5.511 -16.818 -5.405 1.00 4.80 H new ATOM 1646 N MET A 109 7.529 -13.786 -2.847 1.00 4.11 N ATOM 1647 CA MET A 109 8.037 -12.893 -1.806 1.00 4.08 C ATOM 1648 C MET A 109 9.510 -12.584 -2.034 1.00 5.33 C ATOM 1649 O MET A 109 9.971 -11.478 -1.737 1.00 5.53 O ATOM 1650 CB MET A 109 7.764 -13.468 -0.430 1.00 3.81 C ATOM 1651 CG MET A 109 6.340 -13.142 0.033 1.00 2.70 C ATOM 1652 SD MET A 109 5.213 -14.538 -0.047 1.00 3.27 S ATOM 1653 CE MET A 109 5.937 -15.590 1.191 1.00 3.46 C ATOM 0 H MET A 109 7.086 -14.633 -2.490 1.00 4.11 H new ATOM 0 HA MET A 109 7.505 -11.943 -1.862 1.00 4.08 H new ATOM 0 HB2 MET A 109 7.905 -14.549 -0.450 1.00 3.81 H new ATOM 0 HB3 MET A 109 8.483 -13.066 0.284 1.00 3.81 H new ATOM 0 HG2 MET A 109 6.377 -12.775 1.059 1.00 2.70 H new ATOM 0 HG3 MET A 109 5.945 -12.333 -0.581 1.00 2.70 H new ATOM 0 HE1 MET A 109 6.361 -16.474 0.715 1.00 3.46 H new ATOM 0 HE2 MET A 109 6.724 -15.047 1.715 1.00 3.46 H new ATOM 0 HE3 MET A 109 5.170 -15.895 1.903 1.00 3.46 H new ATOM 1663 N THR A 110 10.241 -13.576 -2.563 1.00 6.20 N ATOM 1664 CA THR A 110 11.633 -13.369 -2.957 1.00 7.45 C ATOM 1665 C THR A 110 11.691 -12.512 -4.243 1.00 7.80 C ATOM 1666 O THR A 110 12.665 -11.788 -4.458 1.00 8.54 O ATOM 1667 CB THR A 110 12.340 -14.714 -3.197 1.00 8.32 C ATOM 1668 OG1 THR A 110 12.235 -15.517 -2.016 1.00 8.16 O ATOM 1669 CG2 THR A 110 13.820 -14.547 -3.547 1.00 9.65 C ATOM 0 H THR A 110 9.891 -14.520 -2.725 1.00 6.20 H new ATOM 0 HA THR A 110 12.146 -12.849 -2.148 1.00 7.45 H new ATOM 0 HB THR A 110 11.850 -15.191 -4.046 1.00 8.32 H new ATOM 0 HG1 THR A 110 11.977 -16.430 -2.263 1.00 8.16 H new ATOM 0 HG21 THR A 110 14.269 -15.527 -3.706 1.00 9.65 H new ATOM 0 HG22 THR A 110 13.914 -13.953 -4.456 1.00 9.65 H new ATOM 0 HG23 THR A 110 14.333 -14.041 -2.729 1.00 9.65 H new ATOM 1677 N ASN A 111 10.642 -12.612 -5.100 1.00 7.42 N ATOM 1678 CA ASN A 111 10.576 -11.827 -6.350 1.00 8.00 C ATOM 1679 C ASN A 111 10.435 -10.305 -6.109 1.00 7.57 C ATOM 1680 O ASN A 111 10.918 -9.517 -6.927 1.00 8.26 O ATOM 1681 CB ASN A 111 9.420 -12.317 -7.230 1.00 7.98 C ATOM 1682 CG ASN A 111 9.678 -12.106 -8.713 1.00 9.16 C ATOM 1683 OD1 ASN A 111 9.337 -11.063 -9.271 1.00 9.84 O ATOM 1684 ND2 ASN A 111 10.282 -13.098 -9.356 1.00 9.58 N ATOM 0 H ASN A 111 9.840 -13.223 -4.946 1.00 7.42 H new ATOM 0 HA ASN A 111 11.527 -11.985 -6.858 1.00 8.00 H new ATOM 0 HB2 ASN A 111 9.251 -13.377 -7.043 1.00 7.98 H new ATOM 0 HB3 ASN A 111 8.507 -11.794 -6.947 1.00 7.98 H new ATOM 0 HD21 ASN A 111 10.481 -13.013 -10.353 1.00 9.58 H new ATOM 0 HD22 ASN A 111 10.547 -13.945 -8.853 1.00 9.58 H new ATOM 1691 N LEU A 112 9.780 -9.889 -4.999 1.00 6.48 N ATOM 1692 CA LEU A 112 9.600 -8.457 -4.705 1.00 6.02 C ATOM 1693 C LEU A 112 10.880 -7.826 -4.154 1.00 6.50 C ATOM 1694 O LEU A 112 11.404 -6.868 -4.730 1.00 6.87 O ATOM 1695 CB LEU A 112 8.439 -8.175 -3.724 1.00 4.81 C ATOM 1696 CG LEU A 112 7.044 -8.742 -4.061 1.00 4.44 C ATOM 1697 CD1 LEU A 112 6.754 -8.803 -5.560 1.00 4.55 C ATOM 1698 CD2 LEU A 112 6.908 -10.103 -3.439 1.00 4.77 C ATOM 0 H LEU A 112 9.375 -10.518 -4.305 1.00 6.48 H new ATOM 0 HA LEU A 112 9.349 -8.002 -5.663 1.00 6.02 H new ATOM 0 HB2 LEU A 112 8.728 -8.561 -2.747 1.00 4.81 H new ATOM 0 HB3 LEU A 112 8.343 -7.094 -3.624 1.00 4.81 H new ATOM 0 HG LEU A 112 6.304 -8.056 -3.648 1.00 4.44 H new ATOM 0 HD11 LEU A 112 5.756 -9.212 -5.721 1.00 4.55 H new ATOM 0 HD12 LEU A 112 6.808 -7.799 -5.982 1.00 4.55 H new ATOM 0 HD13 LEU A 112 7.491 -9.441 -6.047 1.00 4.55 H new ATOM 0 HD21 LEU A 112 5.925 -10.513 -3.671 1.00 4.77 H new ATOM 0 HD22 LEU A 112 7.679 -10.763 -3.836 1.00 4.77 H new ATOM 0 HD23 LEU A 112 7.021 -10.022 -2.358 1.00 4.77 H new ATOM 1710 N GLY A 113 11.370 -8.377 -3.036 1.00 6.67 N ATOM 1711 CA GLY A 113 12.578 -7.863 -2.405 1.00 7.40 C ATOM 1712 C GLY A 113 13.818 -8.653 -2.767 1.00 8.34 C ATOM 1713 O GLY A 113 13.725 -9.765 -3.290 1.00 8.64 O ATOM 0 H GLY A 113 10.947 -9.173 -2.558 1.00 6.67 H new ATOM 0 HA2 GLY A 113 12.719 -6.822 -2.697 1.00 7.40 H new ATOM 0 HA3 GLY A 113 12.449 -7.876 -1.323 1.00 7.40 H new ATOM 1717 N GLU A 114 14.979 -8.065 -2.478 1.00 8.94 N ATOM 1718 CA GLU A 114 16.272 -8.696 -2.760 1.00 10.00 C ATOM 1719 C GLU A 114 16.796 -9.446 -1.542 1.00 10.47 C ATOM 1720 O GLU A 114 17.515 -10.441 -1.672 1.00 11.33 O ATOM 1721 CB GLU A 114 17.296 -7.642 -3.184 1.00 10.43 C ATOM 1722 CG GLU A 114 17.025 -7.025 -4.549 1.00 10.39 C ATOM 1723 CD GLU A 114 18.058 -5.985 -4.935 1.00 11.02 C ATOM 1724 OE1 GLU A 114 17.855 -4.797 -4.607 1.00 11.20 O ATOM 1725 OE2 GLU A 114 19.069 -6.358 -5.565 1.00 11.47 O ATOM 0 H GLU A 114 15.052 -7.144 -2.045 1.00 8.94 H new ATOM 0 HA GLU A 114 16.123 -9.408 -3.572 1.00 10.00 H new ATOM 0 HB2 GLU A 114 17.316 -6.849 -2.436 1.00 10.43 H new ATOM 0 HB3 GLU A 114 18.287 -8.097 -3.193 1.00 10.43 H new ATOM 0 HG2 GLU A 114 17.009 -7.812 -5.303 1.00 10.39 H new ATOM 0 HG3 GLU A 114 16.036 -6.566 -4.546 1.00 10.39 H new ATOM 1732 N LYS A 115 16.421 -8.950 -0.366 1.00 10.04 N ATOM 1733 CA LYS A 115 16.834 -9.537 0.914 1.00 10.61 C ATOM 1734 C LYS A 115 15.885 -10.631 1.379 1.00 10.14 C ATOM 1735 O LYS A 115 16.276 -11.539 2.119 1.00 10.70 O ATOM 1736 CB LYS A 115 16.918 -8.461 2.003 1.00 11.03 C ATOM 1737 CG LYS A 115 15.640 -7.623 2.112 1.00 10.36 C ATOM 1738 CD LYS A 115 15.891 -6.145 1.815 1.00 10.71 C ATOM 1739 CE LYS A 115 16.170 -5.899 0.334 1.00 10.61 C ATOM 1740 NZ LYS A 115 16.710 -4.533 0.086 1.00 10.83 N ATOM 0 H LYS A 115 15.822 -8.130 -0.269 1.00 10.04 H new ATOM 0 HA LYS A 115 17.816 -9.979 0.748 1.00 10.61 H new ATOM 0 HB2 LYS A 115 17.117 -8.937 2.963 1.00 11.03 H new ATOM 0 HB3 LYS A 115 17.761 -7.803 1.793 1.00 11.03 H new ATOM 0 HG2 LYS A 115 14.894 -8.010 1.418 1.00 10.36 H new ATOM 0 HG3 LYS A 115 15.225 -7.725 3.115 1.00 10.36 H new ATOM 0 HD2 LYS A 115 15.024 -5.561 2.122 1.00 10.71 H new ATOM 0 HD3 LYS A 115 16.737 -5.795 2.406 1.00 10.71 H new ATOM 0 HE2 LYS A 115 16.881 -6.641 -0.029 1.00 10.61 H new ATOM 0 HE3 LYS A 115 15.250 -6.034 -0.235 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 16.885 -4.408 -0.932 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 16.021 -3.824 0.408 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 17.601 -4.412 0.608 1.00 10.83 H new ATOM 1754 N LEU A 116 14.639 -10.522 0.930 1.00 9.19 N ATOM 1755 CA LEU A 116 13.582 -11.453 1.303 1.00 8.69 C ATOM 1756 C LEU A 116 13.901 -12.895 0.891 1.00 9.07 C ATOM 1757 O LEU A 116 14.054 -13.197 -0.299 1.00 9.05 O ATOM 1758 CB LEU A 116 12.262 -11.036 0.669 1.00 7.40 C ATOM 1759 CG LEU A 116 11.402 -10.040 1.466 1.00 6.84 C ATOM 1760 CD1 LEU A 116 11.864 -8.606 1.241 1.00 6.44 C ATOM 1761 CD2 LEU A 116 9.936 -10.179 1.080 1.00 6.43 C ATOM 0 H LEU A 116 14.334 -9.784 0.296 1.00 9.19 H new ATOM 0 HA LEU A 116 13.505 -11.421 2.390 1.00 8.69 H new ATOM 0 HB2 LEU A 116 12.475 -10.598 -0.306 1.00 7.40 H new ATOM 0 HB3 LEU A 116 11.669 -11.934 0.493 1.00 7.40 H new ATOM 0 HG LEU A 116 11.518 -10.273 2.524 1.00 6.84 H new ATOM 0 HD11 LEU A 116 11.236 -7.927 1.818 1.00 6.44 H new ATOM 0 HD12 LEU A 116 12.901 -8.503 1.562 1.00 6.44 H new ATOM 0 HD13 LEU A 116 11.786 -8.361 0.182 1.00 6.44 H new ATOM 0 HD21 LEU A 116 9.340 -9.468 1.652 1.00 6.43 H new ATOM 0 HD22 LEU A 116 9.819 -9.976 0.015 1.00 6.43 H new ATOM 0 HD23 LEU A 116 9.597 -11.192 1.296 1.00 6.43 H new ATOM 1773 N THR A 117 14.013 -13.763 1.890 1.00 9.56 N ATOM 1774 CA THR A 117 14.305 -15.164 1.680 1.00 10.01 C ATOM 1775 C THR A 117 13.124 -16.065 1.919 1.00 9.24 C ATOM 1776 O THR A 117 11.996 -15.631 2.150 1.00 8.29 O ATOM 1777 CB THR A 117 15.438 -15.680 2.581 1.00 11.26 C ATOM 1778 OG1 THR A 117 15.300 -15.167 3.913 1.00 11.46 O ATOM 1779 CG2 THR A 117 16.757 -15.279 2.000 1.00 12.18 C ATOM 0 H THR A 117 13.902 -13.507 2.871 1.00 9.56 H new ATOM 0 HA THR A 117 14.599 -15.204 0.631 1.00 10.01 H new ATOM 0 HB THR A 117 15.384 -16.767 2.633 1.00 11.26 H new ATOM 0 HG1 THR A 117 16.029 -15.508 4.472 1.00 11.46 H new ATOM 0 HG21 THR A 117 17.562 -15.644 2.638 1.00 12.18 H new ATOM 0 HG22 THR A 117 16.861 -15.708 1.003 1.00 12.18 H new ATOM 0 HG23 THR A 117 16.811 -14.192 1.935 1.00 12.18 H new ATOM 1787 N ASP A 118 13.441 -17.344 1.821 1.00 9.74 N ATOM 1788 CA ASP A 118 12.523 -18.443 2.046 1.00 9.28 C ATOM 1789 C ASP A 118 12.040 -18.492 3.480 1.00 9.42 C ATOM 1790 O ASP A 118 10.940 -18.976 3.759 1.00 8.80 O ATOM 1791 CB ASP A 118 13.265 -19.714 1.704 1.00 10.08 C ATOM 1792 CG ASP A 118 13.167 -20.076 0.235 1.00 9.81 C ATOM 1793 OD1 ASP A 118 12.353 -20.961 -0.105 1.00 9.86 O ATOM 1794 OD2 ASP A 118 13.903 -19.475 -0.576 1.00 9.76 O ATOM 0 H ASP A 118 14.380 -17.656 1.573 1.00 9.74 H new ATOM 0 HA ASP A 118 11.637 -18.316 1.424 1.00 9.28 H new ATOM 0 HB2 ASP A 118 14.314 -19.601 1.976 1.00 10.08 H new ATOM 0 HB3 ASP A 118 12.867 -20.534 2.303 1.00 10.08 H new ATOM 1799 N GLU A 119 12.879 -17.988 4.381 1.00 10.37 N ATOM 1800 CA GLU A 119 12.541 -17.919 5.796 1.00 10.83 C ATOM 1801 C GLU A 119 11.421 -16.915 6.009 1.00 10.04 C ATOM 1802 O GLU A 119 10.717 -16.963 7.018 1.00 10.27 O ATOM 1803 CB GLU A 119 13.761 -17.575 6.656 1.00 12.10 C ATOM 1804 CG GLU A 119 14.770 -18.709 6.775 1.00 13.08 C ATOM 1805 CD GLU A 119 15.965 -18.338 7.631 1.00 14.16 C ATOM 1806 OE1 GLU A 119 16.956 -17.819 7.074 1.00 14.50 O ATOM 1807 OE2 GLU A 119 15.911 -18.567 8.857 1.00 14.78 O ATOM 0 H GLU A 119 13.802 -17.620 4.152 1.00 10.37 H new ATOM 0 HA GLU A 119 12.199 -18.904 6.113 1.00 10.83 H new ATOM 0 HB2 GLU A 119 14.258 -16.702 6.232 1.00 12.10 H new ATOM 0 HB3 GLU A 119 13.423 -17.296 7.654 1.00 12.10 H new ATOM 0 HG2 GLU A 119 14.279 -19.584 7.202 1.00 13.08 H new ATOM 0 HG3 GLU A 119 15.114 -18.990 5.780 1.00 13.08 H new ATOM 1814 N GLU A 120 11.268 -16.006 5.031 1.00 9.24 N ATOM 1815 CA GLU A 120 10.170 -15.046 5.037 1.00 8.40 C ATOM 1816 C GLU A 120 8.901 -15.854 4.849 1.00 7.57 C ATOM 1817 O GLU A 120 7.901 -15.624 5.515 1.00 7.44 O ATOM 1818 CB GLU A 120 10.293 -14.006 3.904 1.00 7.71 C ATOM 1819 CG GLU A 120 9.506 -12.714 4.129 1.00 7.14 C ATOM 1820 CD GLU A 120 10.076 -11.841 5.236 1.00 8.10 C ATOM 1821 OE1 GLU A 120 9.649 -12.003 6.399 1.00 8.52 O ATOM 1822 OE2 GLU A 120 10.949 -10.999 4.938 1.00 8.58 O ATOM 0 H GLU A 120 11.894 -15.922 4.230 1.00 9.24 H new ATOM 0 HA GLU A 120 10.175 -14.486 5.972 1.00 8.40 H new ATOM 0 HB2 GLU A 120 11.346 -13.755 3.773 1.00 7.71 H new ATOM 0 HB3 GLU A 120 9.956 -14.462 2.973 1.00 7.71 H new ATOM 0 HG2 GLU A 120 9.487 -12.143 3.201 1.00 7.14 H new ATOM 0 HG3 GLU A 120 8.473 -12.965 4.370 1.00 7.14 H new ATOM 1829 N VAL A 121 8.980 -16.859 3.962 1.00 7.19 N ATOM 1830 CA VAL A 121 7.865 -17.718 3.701 1.00 6.42 C ATOM 1831 C VAL A 121 7.624 -18.668 4.874 1.00 7.15 C ATOM 1832 O VAL A 121 6.523 -18.717 5.412 1.00 6.95 O ATOM 1833 CB VAL A 121 8.097 -18.492 2.388 1.00 5.97 C ATOM 1834 CG1 VAL A 121 6.805 -19.073 1.906 1.00 5.00 C ATOM 1835 CG2 VAL A 121 8.698 -17.587 1.320 1.00 5.72 C ATOM 0 H VAL A 121 9.817 -17.079 3.423 1.00 7.19 H new ATOM 0 HA VAL A 121 6.968 -17.109 3.587 1.00 6.42 H new ATOM 0 HB VAL A 121 8.803 -19.299 2.584 1.00 5.97 H new ATOM 0 HG11 VAL A 121 6.975 -19.619 0.978 1.00 5.00 H new ATOM 0 HG12 VAL A 121 6.408 -19.753 2.660 1.00 5.00 H new ATOM 0 HG13 VAL A 121 6.089 -18.271 1.729 1.00 5.00 H new ATOM 0 HG21 VAL A 121 8.852 -18.158 0.404 1.00 5.72 H new ATOM 0 HG22 VAL A 121 8.019 -16.758 1.121 1.00 5.72 H new ATOM 0 HG23 VAL A 121 9.654 -17.197 1.669 1.00 5.72 H new ATOM 1845 N ASP A 122 8.684 -19.367 5.286 1.00 8.17 N ATOM 1846 CA ASP A 122 8.634 -20.334 6.410 1.00 9.00 C ATOM 1847 C ASP A 122 8.114 -19.685 7.700 1.00 9.58 C ATOM 1848 O ASP A 122 7.584 -20.371 8.576 1.00 10.07 O ATOM 1849 CB ASP A 122 10.021 -20.943 6.644 1.00 10.08 C ATOM 1850 CG ASP A 122 9.959 -22.330 7.262 1.00 9.97 C ATOM 1851 OD1 ASP A 122 9.908 -23.318 6.499 1.00 10.09 O ATOM 1852 OD2 ASP A 122 9.963 -22.426 8.507 1.00 9.98 O ATOM 0 H ASP A 122 9.606 -19.286 4.857 1.00 8.17 H new ATOM 0 HA ASP A 122 7.935 -21.124 6.135 1.00 9.00 H new ATOM 0 HB2 ASP A 122 10.554 -20.997 5.695 1.00 10.08 H new ATOM 0 HB3 ASP A 122 10.596 -20.285 7.296 1.00 10.08 H new ATOM 1857 N GLU A 123 8.275 -18.361 7.791 1.00 9.61 N ATOM 1858 CA GLU A 123 7.807 -17.578 8.940 1.00 10.24 C ATOM 1859 C GLU A 123 6.288 -17.382 8.873 1.00 9.65 C ATOM 1860 O GLU A 123 5.600 -17.473 9.895 1.00 10.36 O ATOM 1861 CB GLU A 123 8.509 -16.218 8.997 1.00 10.45 C ATOM 1862 CG GLU A 123 9.797 -16.232 9.803 1.00 11.70 C ATOM 1863 CD GLU A 123 10.474 -14.876 9.843 1.00 11.94 C ATOM 1864 OE1 GLU A 123 11.304 -14.600 8.951 1.00 12.02 O ATOM 1865 OE2 GLU A 123 10.175 -14.090 10.766 1.00 12.16 O ATOM 0 H GLU A 123 8.733 -17.802 7.071 1.00 9.61 H new ATOM 0 HA GLU A 123 8.052 -18.131 9.847 1.00 10.24 H new ATOM 0 HB2 GLU A 123 8.729 -15.889 7.981 1.00 10.45 H new ATOM 0 HB3 GLU A 123 7.828 -15.485 9.429 1.00 10.45 H new ATOM 0 HG2 GLU A 123 9.581 -16.556 10.821 1.00 11.70 H new ATOM 0 HG3 GLU A 123 10.482 -16.963 9.374 1.00 11.70 H new ATOM 1872 N MET A 124 5.778 -17.112 7.657 1.00 8.45 N ATOM 1873 CA MET A 124 4.341 -16.925 7.432 1.00 7.91 C ATOM 1874 C MET A 124 3.630 -18.248 7.187 1.00 7.70 C ATOM 1875 O MET A 124 2.406 -18.333 7.329 1.00 7.76 O ATOM 1876 CB MET A 124 4.094 -15.977 6.253 1.00 6.78 C ATOM 1877 CG MET A 124 3.963 -14.514 6.657 1.00 6.98 C ATOM 1878 SD MET A 124 4.925 -13.400 5.620 1.00 6.62 S ATOM 1879 CE MET A 124 6.553 -13.637 6.316 1.00 7.40 C ATOM 0 H MET A 124 6.346 -17.019 6.815 1.00 8.45 H new ATOM 0 HA MET A 124 3.930 -16.483 8.340 1.00 7.91 H new ATOM 0 HB2 MET A 124 4.914 -16.076 5.542 1.00 6.78 H new ATOM 0 HB3 MET A 124 3.185 -16.284 5.736 1.00 6.78 H new ATOM 0 HG2 MET A 124 2.913 -14.225 6.613 1.00 6.98 H new ATOM 0 HG3 MET A 124 4.281 -14.400 7.693 1.00 6.98 H new ATOM 0 HE1 MET A 124 6.877 -12.718 6.804 1.00 7.40 H new ATOM 0 HE2 MET A 124 6.522 -14.445 7.047 1.00 7.40 H new ATOM 0 HE3 MET A 124 7.254 -13.893 5.522 1.00 7.40 H new ATOM 1889 N ILE A 125 4.402 -19.276 6.821 1.00 7.60 N ATOM 1890 CA ILE A 125 3.862 -20.605 6.566 1.00 7.41 C ATOM 1891 C ILE A 125 3.235 -21.206 7.820 1.00 8.49 C ATOM 1892 O ILE A 125 2.152 -21.785 7.762 1.00 8.45 O ATOM 1893 CB ILE A 125 4.921 -21.554 5.987 1.00 7.24 C ATOM 1894 CG1 ILE A 125 5.278 -21.136 4.562 1.00 6.16 C ATOM 1895 CG2 ILE A 125 4.368 -22.947 5.994 1.00 7.27 C ATOM 1896 CD1 ILE A 125 6.551 -21.729 4.043 1.00 6.48 C ATOM 0 H ILE A 125 5.412 -19.206 6.695 1.00 7.60 H new ATOM 0 HA ILE A 125 3.078 -20.484 5.818 1.00 7.41 H new ATOM 0 HB ILE A 125 5.827 -21.513 6.592 1.00 7.24 H new ATOM 0 HG12 ILE A 125 4.462 -21.421 3.898 1.00 6.16 H new ATOM 0 HG13 ILE A 125 5.356 -20.049 4.524 1.00 6.16 H new ATOM 0 HG21 ILE A 125 5.109 -23.635 5.585 1.00 7.27 H new ATOM 0 HG22 ILE A 125 4.128 -23.238 7.017 1.00 7.27 H new ATOM 0 HG23 ILE A 125 3.465 -22.983 5.385 1.00 7.27 H new ATOM 0 HD11 ILE A 125 6.727 -21.379 3.026 1.00 6.48 H new ATOM 0 HD12 ILE A 125 7.381 -21.424 4.680 1.00 6.48 H new ATOM 0 HD13 ILE A 125 6.473 -22.816 4.044 1.00 6.48 H new ATOM 1908 N ARG A 126 3.970 -21.103 8.922 1.00 9.53 N ATOM 1909 CA ARG A 126 3.517 -21.563 10.256 1.00 10.70 C ATOM 1910 C ARG A 126 2.056 -21.177 10.511 1.00 10.89 C ATOM 1911 O ARG A 126 1.299 -21.954 11.100 1.00 11.45 O ATOM 1912 CB ARG A 126 4.387 -20.966 11.368 1.00 11.76 C ATOM 1913 CG ARG A 126 5.840 -21.415 11.339 1.00 12.03 C ATOM 1914 CD ARG A 126 6.770 -20.226 11.472 1.00 12.20 C ATOM 1915 NE ARG A 126 8.182 -20.621 11.425 1.00 12.92 N ATOM 1916 CZ ARG A 126 9.211 -19.822 11.745 1.00 13.50 C ATOM 1917 NH1 ARG A 126 9.010 -18.566 12.141 1.00 13.44 N ATOM 1918 NH2 ARG A 126 10.450 -20.286 11.666 1.00 14.26 N ATOM 0 H ARG A 126 4.906 -20.697 8.928 1.00 9.53 H new ATOM 0 HA ARG A 126 3.608 -22.649 10.265 1.00 10.70 H new ATOM 0 HB2 ARG A 126 4.354 -19.879 11.294 1.00 11.76 H new ATOM 0 HB3 ARG A 126 3.956 -21.233 12.333 1.00 11.76 H new ATOM 0 HG2 ARG A 126 6.024 -22.120 12.150 1.00 12.03 H new ATOM 0 HG3 ARG A 126 6.045 -21.941 10.407 1.00 12.03 H new ATOM 0 HD2 ARG A 126 6.566 -19.516 10.671 1.00 12.20 H new ATOM 0 HD3 ARG A 126 6.569 -19.713 12.412 1.00 12.20 H new ATOM 0 HE ARG A 126 8.397 -21.573 11.127 1.00 12.92 H new ATOM 0 HH11 ARG A 126 8.061 -18.197 12.205 1.00 13.44 H new ATOM 0 HH12 ARG A 126 9.805 -17.973 12.380 1.00 13.44 H new ATOM 0 HH21 ARG A 126 10.617 -21.246 11.363 1.00 14.26 H new ATOM 0 HH22 ARG A 126 11.237 -19.683 11.908 1.00 14.26 H new ATOM 1932 N GLU A 127 1.670 -19.963 10.058 1.00 10.50 N ATOM 1933 CA GLU A 127 0.290 -19.492 10.193 1.00 10.79 C ATOM 1934 C GLU A 127 -0.619 -20.148 9.152 1.00 10.06 C ATOM 1935 O GLU A 127 -1.799 -20.395 9.416 1.00 10.61 O ATOM 1936 CB GLU A 127 0.226 -17.976 10.034 1.00 10.70 C ATOM 1937 CG GLU A 127 -0.064 -17.229 11.332 1.00 11.77 C ATOM 1938 CD GLU A 127 -1.511 -17.354 11.785 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -2.333 -16.504 11.386 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -1.817 -18.303 12.538 1.00 13.42 O ATOM 0 H GLU A 127 2.297 -19.302 9.600 1.00 10.50 H new ATOM 0 HA GLU A 127 -0.058 -19.768 11.188 1.00 10.79 H new ATOM 0 HB2 GLU A 127 1.174 -17.623 9.627 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -0.545 -17.729 9.304 1.00 10.70 H new ATOM 0 HG2 GLU A 127 0.590 -17.610 12.117 1.00 11.77 H new ATOM 0 HG3 GLU A 127 0.178 -16.175 11.199 1.00 11.77 H new ATOM 1947 N ALA A 128 -0.050 -20.424 7.966 1.00 8.89 N ATOM 1948 CA ALA A 128 -0.783 -21.056 6.864 1.00 8.16 C ATOM 1949 C ALA A 128 -1.040 -22.552 7.083 1.00 8.57 C ATOM 1950 O ALA A 128 -2.026 -23.093 6.573 1.00 8.66 O ATOM 1951 CB ALA A 128 0.001 -20.880 5.591 1.00 6.87 C ATOM 0 H ALA A 128 0.925 -20.216 7.749 1.00 8.89 H new ATOM 0 HA ALA A 128 -1.756 -20.568 6.809 1.00 8.16 H new ATOM 0 HB1 ALA A 128 -0.536 -21.347 4.765 1.00 6.87 H new ATOM 0 HB2 ALA A 128 0.128 -19.817 5.386 1.00 6.87 H new ATOM 0 HB3 ALA A 128 0.979 -21.349 5.698 1.00 6.87 H new ATOM 1957 N ALA A 129 -0.130 -23.210 7.832 1.00 8.95 N ATOM 1958 CA ALA A 129 -0.188 -24.661 8.139 1.00 9.43 C ATOM 1959 C ALA A 129 0.249 -25.500 6.930 1.00 8.51 C ATOM 1960 O ALA A 129 1.219 -26.257 7.020 1.00 8.76 O ATOM 1961 CB ALA A 129 -1.567 -25.102 8.650 1.00 10.42 C ATOM 0 H ALA A 129 0.677 -22.745 8.247 1.00 8.95 H new ATOM 0 HA ALA A 129 0.517 -24.838 8.951 1.00 9.43 H new ATOM 0 HB1 ALA A 129 -1.553 -26.172 8.859 1.00 10.42 H new ATOM 0 HB2 ALA A 129 -1.808 -24.557 9.563 1.00 10.42 H new ATOM 0 HB3 ALA A 129 -2.321 -24.890 7.892 1.00 10.42 H new ATOM 1967 N ILE A 130 -0.476 -25.353 5.796 1.00 7.54 N ATOM 1968 CA ILE A 130 -0.184 -26.072 4.526 1.00 6.69 C ATOM 1969 C ILE A 130 -0.490 -27.575 4.591 1.00 6.68 C ATOM 1970 O ILE A 130 -0.868 -28.177 3.585 1.00 6.97 O ATOM 1971 CB ILE A 130 1.293 -25.811 4.038 1.00 5.80 C ATOM 1972 CG1 ILE A 130 1.328 -24.749 2.927 1.00 5.43 C ATOM 1973 CG2 ILE A 130 1.998 -27.080 3.551 1.00 6.19 C ATOM 1974 CD1 ILE A 130 1.033 -23.336 3.393 1.00 4.53 C ATOM 0 H ILE A 130 -1.282 -24.732 5.733 1.00 7.54 H new ATOM 0 HA ILE A 130 -0.867 -25.655 3.786 1.00 6.69 H new ATOM 0 HB ILE A 130 1.834 -25.448 4.912 1.00 5.80 H new ATOM 0 HG12 ILE A 130 2.312 -24.765 2.459 1.00 5.43 H new ATOM 0 HG13 ILE A 130 0.605 -25.022 2.159 1.00 5.43 H new ATOM 0 HG21 ILE A 130 3.010 -26.833 3.229 1.00 6.19 H new ATOM 0 HG22 ILE A 130 2.042 -27.806 4.363 1.00 6.19 H new ATOM 0 HG23 ILE A 130 1.444 -27.505 2.714 1.00 6.19 H new ATOM 0 HD11 ILE A 130 1.080 -22.655 2.543 1.00 4.53 H new ATOM 0 HD12 ILE A 130 0.037 -23.299 3.833 1.00 4.53 H new ATOM 0 HD13 ILE A 130 1.770 -23.037 4.138 1.00 4.53 H new ATOM 1986 N ASP A 131 -0.332 -28.157 5.775 1.00 6.58 N ATOM 1987 CA ASP A 131 -0.553 -29.590 6.001 1.00 6.68 C ATOM 1988 C ASP A 131 -1.984 -30.029 5.668 1.00 6.59 C ATOM 1989 O ASP A 131 -2.936 -29.258 5.827 1.00 6.80 O ATOM 1990 CB ASP A 131 -0.180 -29.973 7.446 1.00 7.70 C ATOM 1991 CG ASP A 131 -0.924 -29.170 8.509 1.00 7.98 C ATOM 1992 OD1 ASP A 131 -2.015 -29.609 8.929 1.00 8.18 O ATOM 1993 OD2 ASP A 131 -0.412 -28.106 8.916 1.00 8.25 O ATOM 0 H ASP A 131 -0.046 -27.650 6.612 1.00 6.58 H new ATOM 0 HA ASP A 131 0.102 -30.125 5.314 1.00 6.68 H new ATOM 0 HB2 ASP A 131 -0.385 -31.033 7.595 1.00 7.70 H new ATOM 0 HB3 ASP A 131 0.892 -29.834 7.583 1.00 7.70 H new ATOM 1998 N GLY A 132 -2.105 -31.276 5.207 1.00 6.49 N ATOM 1999 CA GLY A 132 -3.396 -31.826 4.826 1.00 6.52 C ATOM 2000 C GLY A 132 -3.579 -31.838 3.320 1.00 5.87 C ATOM 2001 O GLY A 132 -4.038 -32.834 2.753 1.00 6.01 O ATOM 0 H GLY A 132 -1.322 -31.919 5.091 1.00 6.49 H new ATOM 0 HA2 GLY A 132 -3.487 -32.841 5.212 1.00 6.52 H new ATOM 0 HA3 GLY A 132 -4.191 -31.238 5.284 1.00 6.52 H new ATOM 2005 N ASP A 133 -3.216 -30.720 2.679 1.00 5.34 N ATOM 2006 CA ASP A 133 -3.323 -30.571 1.232 1.00 4.95 C ATOM 2007 C ASP A 133 -1.942 -30.441 0.657 1.00 4.57 C ATOM 2008 O ASP A 133 -1.659 -30.872 -0.465 1.00 4.65 O ATOM 2009 CB ASP A 133 -4.051 -29.290 0.888 1.00 4.99 C ATOM 2010 CG ASP A 133 -4.991 -29.440 -0.293 1.00 5.63 C ATOM 2011 OD1 ASP A 133 -4.545 -29.221 -1.439 1.00 6.07 O ATOM 2012 OD2 ASP A 133 -6.174 -29.775 -0.071 1.00 5.97 O ATOM 0 H ASP A 133 -2.841 -29.898 3.152 1.00 5.34 H new ATOM 0 HA ASP A 133 -3.855 -31.435 0.835 1.00 4.95 H new ATOM 0 HB2 ASP A 133 -4.619 -28.957 1.757 1.00 4.99 H new ATOM 0 HB3 ASP A 133 -3.320 -28.512 0.667 1.00 4.99 H new ATOM 2017 N GLY A 134 -1.091 -29.827 1.475 1.00 4.47 N ATOM 2018 CA GLY A 134 0.260 -29.578 1.108 1.00 4.33 C ATOM 2019 C GLY A 134 0.482 -28.215 0.455 1.00 3.73 C ATOM 2020 O GLY A 134 1.625 -27.770 0.319 1.00 3.75 O ATOM 0 H GLY A 134 -1.340 -29.496 2.407 1.00 4.47 H new ATOM 0 HA2 GLY A 134 0.887 -29.651 1.997 1.00 4.33 H new ATOM 0 HA3 GLY A 134 0.589 -30.357 0.421 1.00 4.33 H new ATOM 2024 N GLN A 135 -0.617 -27.562 0.055 1.00 3.55 N ATOM 2025 CA GLN A 135 -0.569 -26.245 -0.597 1.00 3.33 C ATOM 2026 C GLN A 135 -1.296 -25.189 0.253 1.00 3.69 C ATOM 2027 O GLN A 135 -1.550 -25.405 1.442 1.00 4.33 O ATOM 2028 CB GLN A 135 -1.218 -26.312 -1.979 1.00 3.82 C ATOM 2029 CG GLN A 135 -0.619 -27.349 -2.922 1.00 4.41 C ATOM 2030 CD GLN A 135 -1.474 -27.576 -4.154 1.00 5.26 C ATOM 2031 OE1 GLN A 135 -2.313 -28.476 -4.184 1.00 5.74 O ATOM 2032 NE2 GLN A 135 -1.276 -26.750 -5.175 1.00 5.78 N ATOM 0 H GLN A 135 -1.561 -27.929 0.173 1.00 3.55 H new ATOM 0 HA GLN A 135 0.478 -25.960 -0.700 1.00 3.33 H new ATOM 0 HB2 GLN A 135 -2.280 -26.526 -1.855 1.00 3.82 H new ATOM 0 HB3 GLN A 135 -1.143 -25.331 -2.447 1.00 3.82 H new ATOM 0 HG2 GLN A 135 0.376 -27.025 -3.229 1.00 4.41 H new ATOM 0 HG3 GLN A 135 -0.497 -28.292 -2.389 1.00 4.41 H new ATOM 0 HE21 GLN A 135 -0.570 -26.017 -5.108 1.00 5.78 H new ATOM 0 HE22 GLN A 135 -1.830 -26.849 -6.026 1.00 5.78 H new ATOM 2041 N VAL A 136 -1.622 -24.047 -0.378 1.00 3.59 N ATOM 2042 CA VAL A 136 -2.327 -22.940 0.268 1.00 4.23 C ATOM 2043 C VAL A 136 -3.118 -22.127 -0.766 1.00 4.67 C ATOM 2044 O VAL A 136 -3.365 -22.596 -1.878 1.00 4.74 O ATOM 2045 CB VAL A 136 -1.329 -22.054 1.098 1.00 4.02 C ATOM 2046 CG1 VAL A 136 -0.449 -21.163 0.217 1.00 3.51 C ATOM 2047 CG2 VAL A 136 -2.040 -21.235 2.179 1.00 5.08 C ATOM 0 H VAL A 136 -1.399 -23.871 -1.358 1.00 3.59 H new ATOM 0 HA VAL A 136 -3.051 -23.345 0.975 1.00 4.23 H new ATOM 0 HB VAL A 136 -0.664 -22.755 1.602 1.00 4.02 H new ATOM 0 HG11 VAL A 136 0.219 -20.575 0.846 1.00 3.51 H new ATOM 0 HG12 VAL A 136 0.141 -21.786 -0.456 1.00 3.51 H new ATOM 0 HG13 VAL A 136 -1.080 -20.493 -0.368 1.00 3.51 H new ATOM 0 HG21 VAL A 136 -1.308 -20.640 2.725 1.00 5.08 H new ATOM 0 HG22 VAL A 136 -2.771 -20.574 1.713 1.00 5.08 H new ATOM 0 HG23 VAL A 136 -2.548 -21.908 2.870 1.00 5.08 H new ATOM 2057 N ASN A 137 -3.528 -20.933 -0.365 1.00 5.28 N ATOM 2058 CA ASN A 137 -4.291 -20.046 -1.236 1.00 5.95 C ATOM 2059 C ASN A 137 -3.407 -18.935 -1.804 1.00 5.49 C ATOM 2060 O ASN A 137 -2.180 -18.951 -1.660 1.00 4.60 O ATOM 2061 CB ASN A 137 -5.522 -19.452 -0.521 1.00 7.18 C ATOM 2062 CG ASN A 137 -6.444 -20.512 0.056 1.00 7.90 C ATOM 2063 OD1 ASN A 137 -7.367 -20.979 -0.612 1.00 8.11 O ATOM 2064 ND2 ASN A 137 -6.197 -20.896 1.303 1.00 8.51 N ATOM 0 H ASN A 137 -3.345 -20.553 0.563 1.00 5.28 H new ATOM 0 HA ASN A 137 -4.656 -20.652 -2.065 1.00 5.95 H new ATOM 0 HB2 ASN A 137 -5.187 -18.795 0.281 1.00 7.18 H new ATOM 0 HB3 ASN A 137 -6.082 -18.836 -1.225 1.00 7.18 H new ATOM 0 HD21 ASN A 137 -6.783 -21.605 1.744 1.00 8.51 H new ATOM 0 HD22 ASN A 137 -5.421 -20.482 1.820 1.00 8.51 H new ATOM 2071 N TYR A 138 -4.067 -17.983 -2.447 1.00 6.22 N ATOM 2072 CA TYR A 138 -3.437 -16.849 -3.104 1.00 6.03 C ATOM 2073 C TYR A 138 -3.498 -15.595 -2.233 1.00 6.55 C ATOM 2074 O TYR A 138 -2.511 -14.873 -2.109 1.00 6.13 O ATOM 2075 CB TYR A 138 -4.140 -16.594 -4.458 1.00 6.78 C ATOM 2076 CG TYR A 138 -5.622 -16.860 -4.391 1.00 7.93 C ATOM 2077 CD1 TYR A 138 -6.558 -15.869 -4.620 1.00 8.62 C ATOM 2078 CD2 TYR A 138 -6.068 -18.115 -4.032 1.00 8.50 C ATOM 2079 CE1 TYR A 138 -7.904 -16.136 -4.488 1.00 9.65 C ATOM 2080 CE2 TYR A 138 -7.378 -18.390 -3.902 1.00 9.54 C ATOM 2081 CZ TYR A 138 -8.314 -17.404 -4.124 1.00 10.06 C ATOM 2082 OH TYR A 138 -9.655 -17.683 -3.990 1.00 11.13 O ATOM 0 H TYR A 138 -5.084 -17.979 -2.528 1.00 6.22 H new ATOM 0 HA TYR A 138 -2.385 -17.082 -3.270 1.00 6.03 H new ATOM 0 HB2 TYR A 138 -3.972 -15.561 -4.764 1.00 6.78 H new ATOM 0 HB3 TYR A 138 -3.693 -17.230 -5.222 1.00 6.78 H new ATOM 0 HD1 TYR A 138 -6.233 -14.879 -4.904 1.00 8.62 H new ATOM 0 HD2 TYR A 138 -5.346 -18.897 -3.851 1.00 8.50 H new ATOM 0 HE1 TYR A 138 -8.633 -15.359 -4.668 1.00 9.65 H new ATOM 0 HE2 TYR A 138 -7.696 -19.384 -3.624 1.00 9.54 H new ATOM 0 HH TYR A 138 -9.770 -18.621 -3.730 1.00 11.13 H new ATOM 2092 N GLU A 139 -4.677 -15.351 -1.638 1.00 7.59 N ATOM 2093 CA GLU A 139 -4.914 -14.167 -0.799 1.00 8.39 C ATOM 2094 C GLU A 139 -4.459 -14.344 0.656 1.00 8.26 C ATOM 2095 O GLU A 139 -3.773 -13.479 1.198 1.00 8.61 O ATOM 2096 CB GLU A 139 -6.398 -13.782 -0.831 1.00 9.64 C ATOM 2097 CG GLU A 139 -6.825 -13.086 -2.114 1.00 10.21 C ATOM 2098 CD GLU A 139 -8.294 -12.709 -2.112 1.00 11.39 C ATOM 2099 OE1 GLU A 139 -9.120 -13.534 -2.556 1.00 11.90 O ATOM 2100 OE2 GLU A 139 -8.618 -11.588 -1.667 1.00 11.94 O ATOM 0 H GLU A 139 -5.487 -15.965 -1.725 1.00 7.59 H new ATOM 0 HA GLU A 139 -4.306 -13.369 -1.224 1.00 8.39 H new ATOM 0 HB2 GLU A 139 -7.000 -14.681 -0.699 1.00 9.64 H new ATOM 0 HB3 GLU A 139 -6.612 -13.128 0.014 1.00 9.64 H new ATOM 0 HG2 GLU A 139 -6.223 -12.188 -2.253 1.00 10.21 H new ATOM 0 HG3 GLU A 139 -6.623 -13.740 -2.962 1.00 10.21 H new ATOM 2107 N GLU A 140 -4.837 -15.477 1.269 1.00 7.94 N ATOM 2108 CA GLU A 140 -4.541 -15.772 2.688 1.00 8.10 C ATOM 2109 C GLU A 140 -3.050 -15.734 3.064 1.00 7.13 C ATOM 2110 O GLU A 140 -2.724 -15.453 4.221 1.00 7.54 O ATOM 2111 CB GLU A 140 -5.123 -17.138 3.075 1.00 8.42 C ATOM 2112 CG GLU A 140 -6.641 -17.149 3.245 1.00 9.47 C ATOM 2113 CD GLU A 140 -7.391 -17.180 1.924 1.00 9.95 C ATOM 2114 OE1 GLU A 140 -7.818 -18.278 1.509 1.00 10.29 O ATOM 2115 OE2 GLU A 140 -7.551 -16.106 1.307 1.00 10.17 O ATOM 0 H GLU A 140 -5.357 -16.217 0.798 1.00 7.94 H new ATOM 0 HA GLU A 140 -5.013 -14.965 3.248 1.00 8.10 H new ATOM 0 HB2 GLU A 140 -4.849 -17.866 2.311 1.00 8.42 H new ATOM 0 HB3 GLU A 140 -4.662 -17.465 4.007 1.00 8.42 H new ATOM 0 HG2 GLU A 140 -6.927 -18.017 3.838 1.00 9.47 H new ATOM 0 HG3 GLU A 140 -6.944 -16.265 3.807 1.00 9.47 H new ATOM 2122 N PHE A 141 -2.153 -16.011 2.108 1.00 5.98 N ATOM 2123 CA PHE A 141 -0.719 -16.020 2.392 1.00 5.06 C ATOM 2124 C PHE A 141 -0.067 -14.634 2.300 1.00 4.76 C ATOM 2125 O PHE A 141 0.912 -14.358 2.999 1.00 5.06 O ATOM 2126 CB PHE A 141 0.009 -17.045 1.520 1.00 3.97 C ATOM 2127 CG PHE A 141 1.128 -17.700 2.259 1.00 3.73 C ATOM 2128 CD1 PHE A 141 1.026 -19.007 2.721 1.00 3.83 C ATOM 2129 CD2 PHE A 141 2.273 -16.983 2.514 1.00 4.10 C ATOM 2130 CE1 PHE A 141 2.074 -19.576 3.434 1.00 4.24 C ATOM 2131 CE2 PHE A 141 3.309 -17.538 3.215 1.00 4.47 C ATOM 2132 CZ PHE A 141 3.207 -18.828 3.674 1.00 4.52 C ATOM 0 H PHE A 141 -2.395 -16.229 1.142 1.00 5.98 H new ATOM 0 HA PHE A 141 -0.618 -16.323 3.434 1.00 5.06 H new ATOM 0 HB2 PHE A 141 -0.698 -17.803 1.182 1.00 3.97 H new ATOM 0 HB3 PHE A 141 0.399 -16.553 0.629 1.00 3.97 H new ATOM 0 HD1 PHE A 141 0.132 -19.580 2.526 1.00 3.83 H new ATOM 0 HD2 PHE A 141 2.356 -15.967 2.156 1.00 4.10 H new ATOM 0 HE1 PHE A 141 2.002 -20.591 3.796 1.00 4.24 H new ATOM 0 HE2 PHE A 141 4.203 -16.964 3.406 1.00 4.47 H new ATOM 0 HZ PHE A 141 4.025 -19.262 4.230 1.00 4.52 H new ATOM 2142 N VAL A 142 -0.617 -13.783 1.447 1.00 4.40 N ATOM 2143 CA VAL A 142 -0.140 -12.388 1.278 1.00 4.15 C ATOM 2144 C VAL A 142 -0.796 -11.553 2.349 1.00 5.25 C ATOM 2145 O VAL A 142 -0.228 -10.590 2.866 1.00 5.25 O ATOM 2146 CB VAL A 142 -0.517 -11.798 -0.102 1.00 4.09 C ATOM 2147 CG1 VAL A 142 0.447 -10.710 -0.547 1.00 3.37 C ATOM 2148 CG2 VAL A 142 -0.585 -12.894 -1.121 1.00 3.96 C ATOM 0 H VAL A 142 -1.406 -14.024 0.846 1.00 4.40 H new ATOM 0 HA VAL A 142 0.947 -12.382 1.352 1.00 4.15 H new ATOM 0 HB VAL A 142 -1.497 -11.330 -0.006 1.00 4.09 H new ATOM 0 HG11 VAL A 142 0.140 -10.328 -1.521 1.00 3.37 H new ATOM 0 HG12 VAL A 142 0.440 -9.898 0.180 1.00 3.37 H new ATOM 0 HG13 VAL A 142 1.453 -11.123 -0.620 1.00 3.37 H new ATOM 0 HG21 VAL A 142 -0.851 -12.473 -2.091 1.00 3.96 H new ATOM 0 HG22 VAL A 142 0.385 -13.385 -1.192 1.00 3.96 H new ATOM 0 HG23 VAL A 142 -1.339 -13.622 -0.822 1.00 3.96 H new ATOM 2158 N GLN A 143 -2.028 -11.957 2.648 1.00 6.26 N ATOM 2159 CA GLN A 143 -2.836 -11.328 3.697 1.00 7.42 C ATOM 2160 C GLN A 143 -2.150 -11.449 5.063 1.00 7.74 C ATOM 2161 O GLN A 143 -2.394 -10.634 5.958 1.00 8.48 O ATOM 2162 CB GLN A 143 -4.239 -11.946 3.747 1.00 8.47 C ATOM 2163 CG GLN A 143 -5.327 -10.980 4.199 1.00 9.24 C ATOM 2164 CD GLN A 143 -6.698 -11.625 4.242 1.00 10.23 C ATOM 2165 OE1 GLN A 143 -7.435 -11.610 3.256 1.00 10.70 O ATOM 2166 NE2 GLN A 143 -7.049 -12.196 5.389 1.00 10.74 N ATOM 0 H GLN A 143 -2.497 -12.728 2.172 1.00 6.26 H new ATOM 0 HA GLN A 143 -2.934 -10.270 3.455 1.00 7.42 H new ATOM 0 HB2 GLN A 143 -4.493 -12.325 2.757 1.00 8.47 H new ATOM 0 HB3 GLN A 143 -4.224 -12.802 4.422 1.00 8.47 H new ATOM 0 HG2 GLN A 143 -5.079 -10.596 5.189 1.00 9.24 H new ATOM 0 HG3 GLN A 143 -5.353 -10.125 3.523 1.00 9.24 H new ATOM 0 HE21 GLN A 143 -6.407 -12.185 6.181 1.00 10.74 H new ATOM 0 HE22 GLN A 143 -7.961 -12.645 5.477 1.00 10.74 H new ATOM 2175 N MET A 144 -1.294 -12.474 5.209 1.00 7.32 N ATOM 2176 CA MET A 144 -0.552 -12.681 6.446 1.00 7.88 C ATOM 2177 C MET A 144 0.749 -11.895 6.456 1.00 7.37 C ATOM 2178 O MET A 144 1.485 -11.871 7.449 1.00 8.01 O ATOM 2179 CB MET A 144 -0.323 -14.170 6.723 1.00 8.04 C ATOM 2180 CG MET A 144 -0.645 -14.587 8.154 1.00 9.33 C ATOM 2181 SD MET A 144 0.389 -13.767 9.388 1.00 9.76 S ATOM 2182 CE MET A 144 1.877 -14.766 9.325 1.00 9.64 C ATOM 0 H MET A 144 -1.105 -13.166 4.484 1.00 7.32 H new ATOM 0 HA MET A 144 -1.164 -12.295 7.261 1.00 7.88 H new ATOM 0 HB2 MET A 144 -0.935 -14.756 6.037 1.00 8.04 H new ATOM 0 HB3 MET A 144 0.718 -14.414 6.509 1.00 8.04 H new ATOM 0 HG2 MET A 144 -1.692 -14.366 8.363 1.00 9.33 H new ATOM 0 HG3 MET A 144 -0.523 -15.666 8.247 1.00 9.33 H new ATOM 0 HE1 MET A 144 2.023 -15.262 10.284 1.00 9.64 H new ATOM 0 HE2 MET A 144 1.779 -15.516 8.540 1.00 9.64 H new ATOM 0 HE3 MET A 144 2.735 -14.128 9.112 1.00 9.64 H new ATOM 2192 N MET A 145 0.994 -11.254 5.332 1.00 6.37 N ATOM 2193 CA MET A 145 2.144 -10.369 5.149 1.00 5.88 C ATOM 2194 C MET A 145 1.738 -8.961 5.553 1.00 6.25 C ATOM 2195 O MET A 145 2.571 -8.136 5.940 1.00 6.33 O ATOM 2196 CB MET A 145 2.640 -10.357 3.705 1.00 4.66 C ATOM 2197 CG MET A 145 3.392 -11.610 3.293 1.00 3.68 C ATOM 2198 SD MET A 145 4.624 -11.285 2.019 1.00 3.52 S ATOM 2199 CE MET A 145 3.596 -11.157 0.560 1.00 3.45 C ATOM 0 H MET A 145 0.399 -11.328 4.507 1.00 6.37 H new ATOM 0 HA MET A 145 2.960 -10.738 5.771 1.00 5.88 H new ATOM 0 HB2 MET A 145 1.786 -10.225 3.041 1.00 4.66 H new ATOM 0 HB3 MET A 145 3.290 -9.494 3.564 1.00 4.66 H new ATOM 0 HG2 MET A 145 3.882 -12.040 4.167 1.00 3.68 H new ATOM 0 HG3 MET A 145 2.683 -12.352 2.927 1.00 3.68 H new ATOM 0 HE1 MET A 145 4.220 -10.939 -0.307 1.00 3.45 H new ATOM 0 HE2 MET A 145 3.071 -12.099 0.401 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.870 -10.355 0.695 1.00 3.45 H new ATOM 2209 N THR A 146 0.428 -8.721 5.448 1.00 6.65 N ATOM 2210 CA THR A 146 -0.186 -7.455 5.821 1.00 7.20 C ATOM 2211 C THR A 146 -0.478 -7.462 7.330 1.00 8.45 C ATOM 2212 O THR A 146 -0.593 -6.403 7.954 1.00 8.99 O ATOM 2213 CB THR A 146 -1.499 -7.215 5.032 1.00 7.31 C ATOM 2214 OG1 THR A 146 -1.349 -7.665 3.678 1.00 6.44 O ATOM 2215 CG2 THR A 146 -1.888 -5.738 5.023 1.00 7.72 C ATOM 0 H THR A 146 -0.238 -9.410 5.098 1.00 6.65 H new ATOM 0 HA THR A 146 0.504 -6.647 5.578 1.00 7.20 H new ATOM 0 HB THR A 146 -2.287 -7.779 5.531 1.00 7.31 H new ATOM 0 HG1 THR A 146 -2.184 -7.511 3.188 1.00 6.44 H new ATOM 0 HG21 THR A 146 -2.813 -5.609 4.461 1.00 7.72 H new ATOM 0 HG22 THR A 146 -2.035 -5.394 6.047 1.00 7.72 H new ATOM 0 HG23 THR A 146 -1.094 -5.156 4.555 1.00 7.72 H new ATOM 2223 N ALA A 147 -0.593 -8.683 7.900 1.00 8.92 N ATOM 2224 CA ALA A 147 -0.844 -8.865 9.332 1.00 10.15 C ATOM 2225 C ALA A 147 0.449 -8.744 10.146 1.00 10.43 C ATOM 2226 O ALA A 147 0.420 -8.304 11.299 1.00 11.37 O ATOM 2227 CB ALA A 147 -1.490 -10.218 9.578 1.00 10.68 C ATOM 0 H ALA A 147 -0.514 -9.556 7.379 1.00 8.92 H new ATOM 0 HA ALA A 147 -1.521 -8.076 9.659 1.00 10.15 H new ATOM 0 HB1 ALA A 147 -1.673 -10.345 10.645 1.00 10.68 H new ATOM 0 HB2 ALA A 147 -2.435 -10.273 9.038 1.00 10.68 H new ATOM 0 HB3 ALA A 147 -0.825 -11.008 9.227 1.00 10.68 H new ATOM 2233 N LYS A 148 1.582 -9.140 9.532 1.00 9.72 N ATOM 2234 CA LYS A 148 2.900 -9.082 10.173 1.00 10.13 C ATOM 2235 C LYS A 148 3.295 -7.646 10.549 1.00 9.70 C ATOM 2236 O LYS A 148 3.510 -7.391 11.753 1.00 9.60 O ATOM 2237 CB LYS A 148 3.962 -9.688 9.246 1.00 10.60 C ATOM 2238 CG LYS A 148 4.886 -10.689 9.929 1.00 11.38 C ATOM 2239 CD LYS A 148 4.301 -12.095 9.908 1.00 11.36 C ATOM 2240 CE LYS A 148 5.174 -13.085 10.668 1.00 12.34 C ATOM 2241 NZ LYS A 148 5.084 -12.899 12.144 1.00 12.59 N ATOM 2242 OXT LYS A 148 3.375 -6.792 9.639 1.00 9.69 O ATOM 0 H LYS A 148 1.603 -9.507 8.581 1.00 9.72 H new ATOM 0 HA LYS A 148 2.841 -9.661 11.095 1.00 10.13 H new ATOM 0 HB2 LYS A 148 3.462 -10.181 8.412 1.00 10.60 H new ATOM 0 HB3 LYS A 148 4.564 -8.883 8.825 1.00 10.60 H new ATOM 0 HG2 LYS A 148 5.855 -10.690 9.430 1.00 11.38 H new ATOM 0 HG3 LYS A 148 5.059 -10.381 10.960 1.00 11.38 H new ATOM 0 HD2 LYS A 148 3.303 -12.080 10.347 1.00 11.36 H new ATOM 0 HD3 LYS A 148 4.190 -12.427 8.876 1.00 11.36 H new ATOM 0 HE2 LYS A 148 4.874 -14.101 10.413 1.00 12.34 H new ATOM 0 HE3 LYS A 148 6.211 -12.970 10.352 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 5.641 -13.636 12.621 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 5.458 -11.963 12.399 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 4.090 -12.968 12.443 1.00 12.59 H new TER 2256 LYS A 148