USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1096 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 36 MET CE :methyl -165:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= -0.151 USER MOD Set 2.2: A 8 GLN : amide:sc= -0.193 K(o=-0.34,f=-2.7!) USER MOD Single : A 1 ALA N :NH3+ -175:sc= -4.64! (180deg=-4.7!) USER MOD Single : A 3 GLN : amide:sc= -0.738 K(o=-0.74,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -59:sc= 0.309 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0104 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -95:sc= 1.05 USER MOD Single : A 41 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.65) USER MOD Single : A 42 ASN : amide:sc= -2.95! C(o=-2.9!,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 49 GLN : amide:sc= -13! C(o=-13!,f=-8.7!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -159:sc= -0.0965 (180deg=-1.02) USER MOD Single : A 72 MET CE :methyl -151:sc= -0.214 (180deg=-1.08) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -55:sc= 0.536 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0904) USER MOD Single : A 97 ASN : amide:sc= -0.0107 K(o=-0.011,f=-2.1!) 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= -0.0699 X(o=-0.07,f=-0.31) USER MOD Single : A 109 MET CE :methyl 172:sc= -1.85 (180deg=-2.38) USER MOD Single : A 110 THR OG1 : rot -60:sc= -0.728! USER MOD Single : A 111 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00436) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -0.659! C(o=-0.66!,f=-7.6!) USER MOD Single : A 138 TYR OH : rot 130:sc= -0.581 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 173:sc= 0 (180deg=-0.0167) USER MOD Single : A 145 MET CE :methyl -146:sc= -0.0389 (180deg=-1.77) USER MOD Single : A 146 THR OG1 : rot -170:sc= -0.427 USER MOD Single : A 148 LYS NZ :NH3+ -123:sc= -0.817 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.318 14.791 -8.499 1.00 1.95 N ATOM 2 CA ALA A 1 13.609 13.736 -9.277 1.00 1.16 C ATOM 3 C ALA A 1 12.806 12.849 -8.322 1.00 0.94 C ATOM 4 O ALA A 1 13.357 12.174 -7.476 1.00 1.11 O ATOM 5 CB ALA A 1 14.631 12.883 -10.029 1.00 1.50 C ATOM 0 H1 ALA A 1 14.794 15.444 -9.154 1.00 1.95 H new ATOM 0 H2 ALA A 1 13.631 15.318 -7.923 1.00 1.95 H new ATOM 0 H3 ALA A 1 15.024 14.348 -7.877 1.00 1.95 H new ATOM 0 HA ALA A 1 12.932 14.205 -9.991 1.00 1.16 H new ATOM 0 HB1 ALA A 1 14.113 12.111 -10.598 1.00 1.50 H new ATOM 0 HB2 ALA A 1 15.201 13.515 -10.710 1.00 1.50 H new ATOM 0 HB3 ALA A 1 15.309 12.414 -9.316 1.00 1.50 H new ATOM 13 N ASP A 2 11.506 12.846 -8.448 1.00 0.88 N ATOM 14 CA ASP A 2 10.668 12.003 -7.546 1.00 0.81 C ATOM 15 C ASP A 2 10.622 10.579 -8.073 1.00 0.45 C ATOM 16 O ASP A 2 9.805 9.772 -7.675 1.00 0.54 O ATOM 17 CB ASP A 2 9.251 12.568 -7.492 1.00 0.98 C ATOM 18 CG ASP A 2 8.475 11.906 -6.352 1.00 2.30 C ATOM 19 OD1 ASP A 2 9.102 11.253 -5.535 1.00 2.78 O ATOM 20 OD2 ASP A 2 7.265 12.062 -6.317 1.00 3.17 O ATOM 0 H ASP A 2 10.988 13.391 -9.137 1.00 0.88 H new ATOM 0 HA ASP A 2 11.101 12.006 -6.546 1.00 0.81 H new ATOM 0 HB2 ASP A 2 9.285 13.647 -7.343 1.00 0.98 H new ATOM 0 HB3 ASP A 2 8.743 12.393 -8.440 1.00 0.98 H new ATOM 25 N GLN A 3 11.498 10.275 -8.967 1.00 0.35 N ATOM 26 CA GLN A 3 11.525 8.890 -9.548 1.00 0.41 C ATOM 27 C GLN A 3 11.811 7.876 -8.447 1.00 0.33 C ATOM 28 O GLN A 3 12.570 8.124 -7.533 1.00 0.31 O ATOM 29 CB GLN A 3 12.600 8.760 -10.637 1.00 0.82 C ATOM 30 CG GLN A 3 12.260 9.705 -11.784 1.00 0.80 C ATOM 31 CD GLN A 3 13.455 9.825 -12.733 1.00 1.32 C ATOM 32 OE1 GLN A 3 13.559 10.774 -13.483 1.00 1.69 O ATOM 33 NE2 GLN A 3 14.368 8.892 -12.733 1.00 1.99 N ATOM 0 H GLN A 3 12.204 10.914 -9.332 1.00 0.35 H new ATOM 0 HA GLN A 3 10.550 8.697 -9.996 1.00 0.41 H new ATOM 0 HB2 GLN A 3 13.581 9.001 -10.228 1.00 0.82 H new ATOM 0 HB3 GLN A 3 12.649 7.732 -10.997 1.00 0.82 H new ATOM 0 HG2 GLN A 3 11.390 9.334 -12.326 1.00 0.80 H new ATOM 0 HG3 GLN A 3 11.996 10.687 -11.391 1.00 0.80 H new ATOM 0 HE21 GLN A 3 14.282 8.094 -12.103 1.00 1.99 H new ATOM 0 HE22 GLN A 3 15.168 8.961 -13.363 1.00 1.99 H new ATOM 42 N LEU A 4 11.202 6.729 -8.536 1.00 0.53 N ATOM 43 CA LEU A 4 11.426 5.678 -7.504 1.00 0.53 C ATOM 44 C LEU A 4 12.742 4.951 -7.793 1.00 0.52 C ATOM 45 O LEU A 4 12.912 4.348 -8.834 1.00 0.55 O ATOM 46 CB LEU A 4 10.276 4.666 -7.535 1.00 0.58 C ATOM 47 CG LEU A 4 8.942 5.366 -7.233 1.00 0.61 C ATOM 48 CD1 LEU A 4 7.788 4.427 -7.588 1.00 0.62 C ATOM 49 CD2 LEU A 4 8.853 5.732 -5.742 1.00 0.57 C ATOM 0 H LEU A 4 10.556 6.472 -9.282 1.00 0.53 H new ATOM 0 HA LEU A 4 11.471 6.147 -6.521 1.00 0.53 H new ATOM 0 HB2 LEU A 4 10.230 4.187 -8.513 1.00 0.58 H new ATOM 0 HB3 LEU A 4 10.455 3.879 -6.803 1.00 0.58 H new ATOM 0 HG LEU A 4 8.881 6.278 -7.826 1.00 0.61 H new ATOM 0 HD11 LEU A 4 6.839 4.920 -7.375 1.00 0.62 H new ATOM 0 HD12 LEU A 4 7.837 4.175 -8.647 1.00 0.62 H new ATOM 0 HD13 LEU A 4 7.865 3.516 -6.995 1.00 0.62 H new ATOM 0 HD21 LEU A 4 7.902 6.227 -5.545 1.00 0.57 H new ATOM 0 HD22 LEU A 4 8.922 4.826 -5.140 1.00 0.57 H new ATOM 0 HD23 LEU A 4 9.672 6.403 -5.483 1.00 0.57 H new ATOM 61 N THR A 5 13.674 4.999 -6.880 1.00 0.49 N ATOM 62 CA THR A 5 14.973 4.302 -7.106 1.00 0.49 C ATOM 63 C THR A 5 14.760 2.793 -6.967 1.00 0.47 C ATOM 64 O THR A 5 13.855 2.348 -6.288 1.00 0.47 O ATOM 65 CB THR A 5 15.993 4.775 -6.068 1.00 0.47 C ATOM 66 OG1 THR A 5 15.378 4.815 -4.787 1.00 0.36 O ATOM 67 CG2 THR A 5 16.492 6.171 -6.440 1.00 0.64 C ATOM 0 H THR A 5 13.593 5.489 -5.989 1.00 0.49 H new ATOM 0 HA THR A 5 15.346 4.529 -8.105 1.00 0.49 H new ATOM 0 HB THR A 5 16.836 4.085 -6.046 1.00 0.47 H new ATOM 0 HG1 THR A 5 16.030 5.116 -4.120 1.00 0.36 H new ATOM 0 HG21 THR A 5 17.218 6.507 -5.700 1.00 0.64 H new ATOM 0 HG22 THR A 5 16.963 6.139 -7.422 1.00 0.64 H new ATOM 0 HG23 THR A 5 15.651 6.864 -6.463 1.00 0.64 H new ATOM 75 N GLU A 6 15.578 1.996 -7.601 1.00 0.46 N ATOM 76 CA GLU A 6 15.404 0.521 -7.494 1.00 0.43 C ATOM 77 C GLU A 6 15.333 0.123 -6.020 1.00 0.36 C ATOM 78 O GLU A 6 14.631 -0.797 -5.648 1.00 0.31 O ATOM 79 CB GLU A 6 16.587 -0.187 -8.158 1.00 0.47 C ATOM 80 CG GLU A 6 16.530 0.013 -9.675 1.00 0.75 C ATOM 81 CD GLU A 6 17.482 -0.972 -10.356 1.00 1.26 C ATOM 82 OE1 GLU A 6 17.247 -2.164 -10.243 1.00 2.10 O ATOM 83 OE2 GLU A 6 18.429 -0.519 -10.976 1.00 1.47 O ATOM 0 H GLU A 6 16.356 2.302 -8.186 1.00 0.46 H new ATOM 0 HA GLU A 6 14.482 0.228 -7.996 1.00 0.43 H new ATOM 0 HB2 GLU A 6 17.525 0.207 -7.766 1.00 0.47 H new ATOM 0 HB3 GLU A 6 16.564 -1.251 -7.922 1.00 0.47 H new ATOM 0 HG2 GLU A 6 15.513 -0.141 -10.035 1.00 0.75 H new ATOM 0 HG3 GLU A 6 16.807 1.036 -9.928 1.00 0.75 H new ATOM 90 N GLU A 7 16.054 0.807 -5.175 1.00 0.36 N ATOM 91 CA GLU A 7 16.025 0.467 -3.725 1.00 0.30 C ATOM 92 C GLU A 7 14.644 0.795 -3.155 1.00 0.28 C ATOM 93 O GLU A 7 14.005 -0.035 -2.538 1.00 0.26 O ATOM 94 CB GLU A 7 17.088 1.286 -2.987 1.00 0.26 C ATOM 95 CG GLU A 7 18.480 0.817 -3.413 1.00 0.37 C ATOM 96 CD GLU A 7 18.736 -0.588 -2.865 1.00 1.71 C ATOM 97 OE1 GLU A 7 19.060 -0.696 -1.693 1.00 2.00 O ATOM 98 OE2 GLU A 7 18.601 -1.533 -3.625 1.00 2.89 O ATOM 0 H GLU A 7 16.662 1.587 -5.426 1.00 0.36 H new ATOM 0 HA GLU A 7 16.231 -0.596 -3.596 1.00 0.30 H new ATOM 0 HB2 GLU A 7 16.966 2.346 -3.210 1.00 0.26 H new ATOM 0 HB3 GLU A 7 16.968 1.171 -1.910 1.00 0.26 H new ATOM 0 HG2 GLU A 7 18.557 0.814 -4.500 1.00 0.37 H new ATOM 0 HG3 GLU A 7 19.237 1.507 -3.041 1.00 0.37 H new ATOM 105 N GLN A 8 14.175 1.994 -3.359 1.00 0.31 N ATOM 106 CA GLN A 8 12.834 2.366 -2.829 1.00 0.31 C ATOM 107 C GLN A 8 11.804 1.344 -3.310 1.00 0.33 C ATOM 108 O GLN A 8 10.892 0.984 -2.594 1.00 0.30 O ATOM 109 CB GLN A 8 12.452 3.764 -3.330 1.00 0.38 C ATOM 110 CG GLN A 8 13.261 4.820 -2.570 1.00 0.40 C ATOM 111 CD GLN A 8 13.173 6.161 -3.305 1.00 0.63 C ATOM 112 OE1 GLN A 8 12.393 6.312 -4.222 1.00 0.39 O ATOM 113 NE2 GLN A 8 13.950 7.144 -2.940 1.00 1.27 N ATOM 0 H GLN A 8 14.661 2.731 -3.869 1.00 0.31 H new ATOM 0 HA GLN A 8 12.858 2.373 -1.739 1.00 0.31 H new ATOM 0 HB2 GLN A 8 12.645 3.844 -4.400 1.00 0.38 H new ATOM 0 HB3 GLN A 8 11.385 3.935 -3.185 1.00 0.38 H new ATOM 0 HG2 GLN A 8 12.879 4.924 -1.555 1.00 0.40 H new ATOM 0 HG3 GLN A 8 14.302 4.506 -2.488 1.00 0.40 H new ATOM 0 HE21 GLN A 8 14.606 7.017 -2.169 1.00 1.27 H new ATOM 0 HE22 GLN A 8 13.902 8.040 -3.426 1.00 1.27 H new ATOM 122 N ILE A 9 11.946 0.865 -4.515 1.00 0.39 N ATOM 123 CA ILE A 9 10.977 -0.139 -5.033 1.00 0.42 C ATOM 124 C ILE A 9 11.203 -1.474 -4.320 1.00 0.42 C ATOM 125 O ILE A 9 10.272 -2.196 -4.023 1.00 0.43 O ATOM 126 CB ILE A 9 11.182 -0.324 -6.539 1.00 0.46 C ATOM 127 CG1 ILE A 9 10.903 1.000 -7.256 1.00 0.52 C ATOM 128 CG2 ILE A 9 10.218 -1.397 -7.054 1.00 0.40 C ATOM 129 CD1 ILE A 9 11.305 0.885 -8.727 1.00 0.57 C ATOM 0 H ILE A 9 12.690 1.125 -5.162 1.00 0.39 H new ATOM 0 HA ILE A 9 9.961 0.208 -4.848 1.00 0.42 H new ATOM 0 HB ILE A 9 12.209 -0.633 -6.734 1.00 0.46 H new ATOM 0 HG12 ILE A 9 9.845 1.252 -7.177 1.00 0.52 H new ATOM 0 HG13 ILE A 9 11.459 1.807 -6.779 1.00 0.52 H new ATOM 0 HG21 ILE A 9 10.362 -1.531 -8.126 1.00 0.40 H new ATOM 0 HG22 ILE A 9 10.414 -2.339 -6.541 1.00 0.40 H new ATOM 0 HG23 ILE A 9 9.191 -1.086 -6.862 1.00 0.40 H new ATOM 0 HD11 ILE A 9 11.105 1.829 -9.234 1.00 0.57 H new ATOM 0 HD12 ILE A 9 12.368 0.654 -8.797 1.00 0.57 H new ATOM 0 HD13 ILE A 9 10.729 0.090 -9.200 1.00 0.57 H new ATOM 141 N ALA A 10 12.434 -1.809 -4.042 1.00 0.42 N ATOM 142 CA ALA A 10 12.721 -3.096 -3.349 1.00 0.43 C ATOM 143 C ALA A 10 12.301 -3.007 -1.883 1.00 0.45 C ATOM 144 O ALA A 10 12.109 -4.009 -1.230 1.00 0.82 O ATOM 145 CB ALA A 10 14.219 -3.399 -3.436 1.00 0.43 C ATOM 0 H ALA A 10 13.254 -1.245 -4.266 1.00 0.42 H new ATOM 0 HA ALA A 10 12.158 -3.895 -3.832 1.00 0.43 H new ATOM 0 HB1 ALA A 10 14.430 -4.341 -2.929 1.00 0.43 H new ATOM 0 HB2 ALA A 10 14.514 -3.476 -4.482 1.00 0.43 H new ATOM 0 HB3 ALA A 10 14.781 -2.596 -2.959 1.00 0.43 H new ATOM 151 N GLU A 11 12.140 -1.824 -1.353 1.00 0.18 N ATOM 152 CA GLU A 11 11.722 -1.708 0.060 1.00 0.18 C ATOM 153 C GLU A 11 10.216 -1.984 0.126 1.00 0.20 C ATOM 154 O GLU A 11 9.761 -2.833 0.866 1.00 0.32 O ATOM 155 CB GLU A 11 12.073 -0.284 0.549 1.00 0.20 C ATOM 156 CG GLU A 11 10.998 0.256 1.484 1.00 1.31 C ATOM 157 CD GLU A 11 11.513 1.508 2.197 1.00 1.17 C ATOM 158 OE1 GLU A 11 12.129 1.361 3.239 1.00 0.79 O ATOM 159 OE2 GLU A 11 11.283 2.592 1.688 1.00 2.13 O ATOM 0 H GLU A 11 12.281 -0.940 -1.841 1.00 0.18 H new ATOM 0 HA GLU A 11 12.233 -2.424 0.704 1.00 0.18 H new ATOM 0 HB2 GLU A 11 13.033 -0.300 1.065 1.00 0.20 H new ATOM 0 HB3 GLU A 11 12.182 0.381 -0.307 1.00 0.20 H new ATOM 0 HG2 GLU A 11 10.097 0.493 0.919 1.00 1.31 H new ATOM 0 HG3 GLU A 11 10.724 -0.504 2.216 1.00 1.31 H new ATOM 166 N PHE A 12 9.444 -1.283 -0.657 1.00 0.12 N ATOM 167 CA PHE A 12 7.980 -1.521 -0.646 1.00 0.15 C ATOM 168 C PHE A 12 7.707 -2.960 -1.077 1.00 0.17 C ATOM 169 O PHE A 12 6.789 -3.593 -0.600 1.00 0.20 O ATOM 170 CB PHE A 12 7.284 -0.561 -1.625 1.00 0.16 C ATOM 171 CG PHE A 12 7.786 0.866 -1.457 1.00 0.20 C ATOM 172 CD1 PHE A 12 7.974 1.422 -0.182 1.00 0.20 C ATOM 173 CD2 PHE A 12 8.039 1.647 -2.597 1.00 0.60 C ATOM 174 CE1 PHE A 12 8.415 2.744 -0.050 1.00 0.16 C ATOM 175 CE2 PHE A 12 8.482 2.965 -2.460 1.00 0.63 C ATOM 176 CZ PHE A 12 8.670 3.515 -1.189 1.00 0.27 C ATOM 0 H PHE A 12 9.765 -0.559 -1.300 1.00 0.12 H new ATOM 0 HA PHE A 12 7.594 -1.350 0.359 1.00 0.15 H new ATOM 0 HB2 PHE A 12 7.460 -0.892 -2.648 1.00 0.16 H new ATOM 0 HB3 PHE A 12 6.207 -0.591 -1.462 1.00 0.16 H new ATOM 0 HD1 PHE A 12 7.778 0.829 0.699 1.00 0.20 H new ATOM 0 HD2 PHE A 12 7.891 1.228 -3.581 1.00 0.60 H new ATOM 0 HE1 PHE A 12 8.559 3.169 0.932 1.00 0.16 H new ATOM 0 HE2 PHE A 12 8.680 3.561 -3.339 1.00 0.63 H new ATOM 0 HZ PHE A 12 9.012 4.534 -1.086 1.00 0.27 H new ATOM 186 N LYS A 13 8.495 -3.486 -1.975 1.00 0.19 N ATOM 187 CA LYS A 13 8.261 -4.886 -2.419 1.00 0.21 C ATOM 188 C LYS A 13 8.314 -5.808 -1.200 1.00 0.14 C ATOM 189 O LYS A 13 7.448 -6.636 -1.001 1.00 0.14 O ATOM 190 CB LYS A 13 9.331 -5.300 -3.435 1.00 0.25 C ATOM 191 CG LYS A 13 9.087 -6.756 -3.907 1.00 0.27 C ATOM 192 CD LYS A 13 9.391 -6.892 -5.411 1.00 0.29 C ATOM 193 CE LYS A 13 8.177 -6.448 -6.234 1.00 0.31 C ATOM 194 NZ LYS A 13 8.451 -6.665 -7.681 1.00 0.87 N ATOM 0 H LYS A 13 9.283 -3.011 -2.416 1.00 0.19 H new ATOM 0 HA LYS A 13 7.283 -4.961 -2.894 1.00 0.21 H new ATOM 0 HB2 LYS A 13 9.311 -4.625 -4.290 1.00 0.25 H new ATOM 0 HB3 LYS A 13 10.321 -5.217 -2.986 1.00 0.25 H new ATOM 0 HG2 LYS A 13 9.718 -7.440 -3.339 1.00 0.27 H new ATOM 0 HG3 LYS A 13 8.053 -7.040 -3.712 1.00 0.27 H new ATOM 0 HD2 LYS A 13 10.258 -6.285 -5.671 1.00 0.29 H new ATOM 0 HD3 LYS A 13 9.642 -7.926 -5.647 1.00 0.29 H new ATOM 0 HE2 LYS A 13 7.294 -7.011 -5.932 1.00 0.31 H new ATOM 0 HE3 LYS A 13 7.963 -5.396 -6.047 1.00 0.31 H new ATOM 0 HZ1 LYS A 13 7.627 -6.364 -8.239 1.00 0.87 H new ATOM 0 HZ2 LYS A 13 9.283 -6.109 -7.964 1.00 0.87 H new ATOM 0 HZ3 LYS A 13 8.635 -7.674 -7.852 1.00 0.87 H new ATOM 208 N GLU A 14 9.313 -5.660 -0.373 1.00 0.10 N ATOM 209 CA GLU A 14 9.402 -6.525 0.841 1.00 0.07 C ATOM 210 C GLU A 14 8.200 -6.242 1.730 1.00 0.15 C ATOM 211 O GLU A 14 7.436 -7.122 2.071 1.00 0.33 O ATOM 212 CB GLU A 14 10.674 -6.189 1.621 1.00 0.08 C ATOM 213 CG GLU A 14 11.898 -6.397 0.730 1.00 0.29 C ATOM 214 CD GLU A 14 12.276 -7.883 0.700 1.00 1.28 C ATOM 215 OE1 GLU A 14 12.345 -8.478 1.763 1.00 1.78 O ATOM 216 OE2 GLU A 14 12.490 -8.398 -0.385 1.00 2.09 O ATOM 0 H GLU A 14 10.068 -4.983 -0.483 1.00 0.10 H new ATOM 0 HA GLU A 14 9.421 -7.573 0.542 1.00 0.07 H new ATOM 0 HB2 GLU A 14 10.637 -5.156 1.968 1.00 0.08 H new ATOM 0 HB3 GLU A 14 10.746 -6.820 2.507 1.00 0.08 H new ATOM 0 HG2 GLU A 14 11.687 -6.046 -0.280 1.00 0.29 H new ATOM 0 HG3 GLU A 14 12.735 -5.807 1.104 1.00 0.29 H new ATOM 223 N ALA A 15 8.038 -5.011 2.106 1.00 0.10 N ATOM 224 CA ALA A 15 6.890 -4.644 2.983 1.00 0.16 C ATOM 225 C ALA A 15 5.593 -5.166 2.365 1.00 0.14 C ATOM 226 O ALA A 15 4.658 -5.513 3.058 1.00 0.14 O ATOM 227 CB ALA A 15 6.815 -3.120 3.122 1.00 0.22 C ATOM 0 H ALA A 15 8.650 -4.238 1.846 1.00 0.10 H new ATOM 0 HA ALA A 15 7.029 -5.089 3.968 1.00 0.16 H new ATOM 0 HB1 ALA A 15 5.975 -2.854 3.764 1.00 0.22 H new ATOM 0 HB2 ALA A 15 7.740 -2.749 3.563 1.00 0.22 H new ATOM 0 HB3 ALA A 15 6.677 -2.671 2.138 1.00 0.22 H new ATOM 233 N PHE A 16 5.529 -5.219 1.066 1.00 0.13 N ATOM 234 CA PHE A 16 4.295 -5.715 0.396 1.00 0.14 C ATOM 235 C PHE A 16 4.222 -7.241 0.494 1.00 0.14 C ATOM 236 O PHE A 16 3.176 -7.807 0.745 1.00 0.14 O ATOM 237 CB PHE A 16 4.328 -5.303 -1.073 1.00 0.15 C ATOM 238 CG PHE A 16 2.964 -5.490 -1.685 1.00 0.15 C ATOM 239 CD1 PHE A 16 2.010 -4.471 -1.587 1.00 0.13 C ATOM 240 CD2 PHE A 16 2.657 -6.677 -2.361 1.00 0.18 C ATOM 241 CE1 PHE A 16 0.748 -4.640 -2.163 1.00 0.14 C ATOM 242 CE2 PHE A 16 1.396 -6.842 -2.941 1.00 0.19 C ATOM 243 CZ PHE A 16 0.442 -5.822 -2.841 1.00 0.16 C ATOM 0 H PHE A 16 6.281 -4.939 0.436 1.00 0.13 H new ATOM 0 HA PHE A 16 3.420 -5.286 0.885 1.00 0.14 H new ATOM 0 HB2 PHE A 16 4.637 -4.261 -1.161 1.00 0.15 H new ATOM 0 HB3 PHE A 16 5.064 -5.900 -1.612 1.00 0.15 H new ATOM 0 HD1 PHE A 16 2.249 -3.555 -1.067 1.00 0.13 H new ATOM 0 HD2 PHE A 16 3.393 -7.464 -2.434 1.00 0.18 H new ATOM 0 HE1 PHE A 16 0.009 -3.856 -2.084 1.00 0.14 H new ATOM 0 HE2 PHE A 16 1.158 -7.755 -3.466 1.00 0.19 H new ATOM 0 HZ PHE A 16 -0.532 -5.950 -3.289 1.00 0.16 H new ATOM 253 N SER A 17 5.321 -7.909 0.291 1.00 0.16 N ATOM 254 CA SER A 17 5.320 -9.396 0.362 1.00 0.19 C ATOM 255 C SER A 17 5.069 -9.848 1.803 1.00 0.16 C ATOM 256 O SER A 17 4.487 -10.886 2.047 1.00 0.15 O ATOM 257 CB SER A 17 6.680 -9.921 -0.103 1.00 0.26 C ATOM 258 OG SER A 17 7.563 -9.986 1.011 1.00 1.36 O ATOM 0 H SER A 17 6.225 -7.487 0.078 1.00 0.16 H new ATOM 0 HA SER A 17 4.531 -9.788 -0.279 1.00 0.19 H new ATOM 0 HB2 SER A 17 6.568 -10.908 -0.551 1.00 0.26 H new ATOM 0 HB3 SER A 17 7.092 -9.267 -0.871 1.00 0.26 H new ATOM 0 HG SER A 17 7.659 -9.094 1.405 1.00 1.36 H new ATOM 264 N LEU A 18 5.514 -9.082 2.760 1.00 0.18 N ATOM 265 CA LEU A 18 5.311 -9.475 4.184 1.00 0.18 C ATOM 266 C LEU A 18 3.829 -9.789 4.436 1.00 0.20 C ATOM 267 O LEU A 18 3.490 -10.440 5.404 1.00 0.25 O ATOM 268 CB LEU A 18 5.762 -8.322 5.111 1.00 0.19 C ATOM 269 CG LEU A 18 7.255 -8.456 5.488 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.678 -7.231 6.317 1.00 0.18 C ATOM 271 CD2 LEU A 18 7.492 -9.746 6.313 1.00 0.15 C ATOM 0 H LEU A 18 6.009 -8.202 2.619 1.00 0.18 H new ATOM 0 HA LEU A 18 5.905 -10.364 4.396 1.00 0.18 H new ATOM 0 HB2 LEU A 18 5.594 -7.366 4.614 1.00 0.19 H new ATOM 0 HB3 LEU A 18 5.155 -8.321 6.016 1.00 0.19 H new ATOM 0 HG LEU A 18 7.848 -8.512 4.575 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.731 -7.320 6.586 1.00 0.18 H new ATOM 0 HD12 LEU A 18 7.529 -6.325 5.730 1.00 0.18 H new ATOM 0 HD13 LEU A 18 7.075 -7.179 7.223 1.00 0.18 H new ATOM 0 HD21 LEU A 18 8.548 -9.825 6.570 1.00 0.15 H new ATOM 0 HD22 LEU A 18 6.898 -9.708 7.226 1.00 0.15 H new ATOM 0 HD23 LEU A 18 7.196 -10.614 5.724 1.00 0.15 H new ATOM 283 N PHE A 19 2.945 -9.316 3.588 1.00 0.19 N ATOM 284 CA PHE A 19 1.478 -9.570 3.794 1.00 0.22 C ATOM 285 C PHE A 19 0.864 -10.224 2.552 1.00 0.21 C ATOM 286 O PHE A 19 -0.332 -10.172 2.343 1.00 0.24 O ATOM 287 CB PHE A 19 0.788 -8.238 4.074 1.00 0.26 C ATOM 288 CG PHE A 19 1.405 -7.637 5.309 1.00 0.24 C ATOM 289 CD1 PHE A 19 2.612 -6.934 5.212 1.00 0.21 C ATOM 290 CD2 PHE A 19 0.784 -7.793 6.551 1.00 0.27 C ATOM 291 CE1 PHE A 19 3.195 -6.386 6.360 1.00 0.19 C ATOM 292 CE2 PHE A 19 1.365 -7.243 7.699 1.00 0.27 C ATOM 293 CZ PHE A 19 2.572 -6.540 7.604 1.00 0.22 C ATOM 0 H PHE A 19 3.174 -8.765 2.761 1.00 0.19 H new ATOM 0 HA PHE A 19 1.342 -10.248 4.637 1.00 0.22 H new ATOM 0 HB2 PHE A 19 0.904 -7.564 3.225 1.00 0.26 H new ATOM 0 HB3 PHE A 19 -0.282 -8.387 4.218 1.00 0.26 H new ATOM 0 HD1 PHE A 19 3.093 -6.815 4.252 1.00 0.21 H new ATOM 0 HD2 PHE A 19 -0.145 -8.339 6.625 1.00 0.27 H new ATOM 0 HE1 PHE A 19 4.126 -5.844 6.286 1.00 0.19 H new ATOM 0 HE2 PHE A 19 0.882 -7.361 8.658 1.00 0.27 H new ATOM 0 HZ PHE A 19 3.022 -6.117 8.490 1.00 0.22 H new ATOM 303 N ASP A 20 1.667 -10.861 1.739 1.00 0.17 N ATOM 304 CA ASP A 20 1.131 -11.546 0.521 1.00 0.17 C ATOM 305 C ASP A 20 1.004 -13.043 0.833 1.00 0.13 C ATOM 306 O ASP A 20 1.744 -13.862 0.321 1.00 0.11 O ATOM 307 CB ASP A 20 2.102 -11.348 -0.647 1.00 0.18 C ATOM 308 CG ASP A 20 1.630 -12.167 -1.851 1.00 0.25 C ATOM 309 OD1 ASP A 20 0.515 -12.662 -1.806 1.00 0.86 O ATOM 310 OD2 ASP A 20 2.391 -12.284 -2.797 1.00 1.26 O ATOM 0 H ASP A 20 2.676 -10.937 1.866 1.00 0.17 H new ATOM 0 HA ASP A 20 0.160 -11.131 0.249 1.00 0.17 H new ATOM 0 HB2 ASP A 20 2.158 -10.292 -0.912 1.00 0.18 H new ATOM 0 HB3 ASP A 20 3.106 -11.657 -0.355 1.00 0.18 H new ATOM 315 N LYS A 21 0.090 -13.398 1.696 1.00 0.16 N ATOM 316 CA LYS A 21 -0.077 -14.832 2.086 1.00 0.17 C ATOM 317 C LYS A 21 -0.733 -15.632 0.963 1.00 0.15 C ATOM 318 O LYS A 21 -0.930 -16.826 1.071 1.00 0.17 O ATOM 319 CB LYS A 21 -0.958 -14.914 3.331 1.00 0.23 C ATOM 320 CG LYS A 21 -0.338 -14.095 4.475 1.00 0.29 C ATOM 321 CD LYS A 21 0.773 -14.897 5.165 1.00 0.36 C ATOM 322 CE LYS A 21 1.226 -14.157 6.425 1.00 0.44 C ATOM 323 NZ LYS A 21 2.425 -14.832 6.995 1.00 0.80 N ATOM 0 H LYS A 21 -0.554 -12.752 2.152 1.00 0.16 H new ATOM 0 HA LYS A 21 0.909 -15.252 2.286 1.00 0.17 H new ATOM 0 HB2 LYS A 21 -1.956 -14.539 3.105 1.00 0.23 H new ATOM 0 HB3 LYS A 21 -1.071 -15.954 3.638 1.00 0.23 H new ATOM 0 HG2 LYS A 21 0.067 -13.162 4.084 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -1.108 -13.830 5.200 1.00 0.29 H new ATOM 0 HD2 LYS A 21 0.411 -15.892 5.425 1.00 0.36 H new ATOM 0 HD3 LYS A 21 1.615 -15.031 4.486 1.00 0.36 H new ATOM 0 HE2 LYS A 21 1.459 -13.119 6.186 1.00 0.44 H new ATOM 0 HE3 LYS A 21 0.421 -14.142 7.160 1.00 0.44 H new ATOM 0 HZ1 LYS A 21 2.732 -14.329 7.851 1.00 0.80 H new ATOM 0 HZ2 LYS A 21 2.187 -15.815 7.238 1.00 0.80 H new ATOM 0 HZ3 LYS A 21 3.194 -14.824 6.294 1.00 0.80 H new ATOM 337 N ASP A 22 -1.076 -14.983 -0.105 1.00 0.14 N ATOM 338 CA ASP A 22 -1.731 -15.691 -1.249 1.00 0.15 C ATOM 339 C ASP A 22 -0.696 -15.990 -2.335 1.00 0.19 C ATOM 340 O ASP A 22 -1.019 -16.516 -3.382 1.00 0.22 O ATOM 341 CB ASP A 22 -2.830 -14.797 -1.829 1.00 0.16 C ATOM 342 CG ASP A 22 -4.029 -14.781 -0.880 1.00 0.29 C ATOM 343 OD1 ASP A 22 -4.802 -15.723 -0.914 1.00 1.39 O ATOM 344 OD2 ASP A 22 -4.154 -13.825 -0.131 1.00 0.55 O ATOM 0 H ASP A 22 -0.933 -13.983 -0.244 1.00 0.14 H new ATOM 0 HA ASP A 22 -2.162 -16.628 -0.896 1.00 0.15 H new ATOM 0 HB2 ASP A 22 -2.452 -13.785 -1.972 1.00 0.16 H new ATOM 0 HB3 ASP A 22 -3.133 -15.165 -2.809 1.00 0.16 H new ATOM 349 N GLY A 23 0.547 -15.660 -2.100 1.00 0.20 N ATOM 350 CA GLY A 23 1.596 -15.928 -3.126 1.00 0.25 C ATOM 351 C GLY A 23 1.109 -15.425 -4.483 1.00 0.26 C ATOM 352 O GLY A 23 1.614 -15.808 -5.520 1.00 0.30 O ATOM 0 H GLY A 23 0.880 -15.217 -1.244 1.00 0.20 H new ATOM 0 HA2 GLY A 23 2.526 -15.430 -2.852 1.00 0.25 H new ATOM 0 HA3 GLY A 23 1.809 -16.996 -3.175 1.00 0.25 H new ATOM 356 N ASP A 24 0.122 -14.569 -4.475 1.00 0.23 N ATOM 357 CA ASP A 24 -0.425 -14.027 -5.757 1.00 0.26 C ATOM 358 C ASP A 24 0.157 -12.635 -6.010 1.00 0.25 C ATOM 359 O ASP A 24 -0.164 -11.989 -6.987 1.00 0.26 O ATOM 360 CB ASP A 24 -1.948 -13.928 -5.656 1.00 0.26 C ATOM 361 CG ASP A 24 -2.525 -13.512 -7.009 1.00 0.28 C ATOM 362 OD1 ASP A 24 -1.980 -13.934 -8.017 1.00 1.36 O ATOM 363 OD2 ASP A 24 -3.501 -12.780 -7.016 1.00 0.90 O ATOM 0 H ASP A 24 -0.332 -14.219 -3.632 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.155 -14.691 -6.578 1.00 0.26 H new ATOM 0 HB2 ASP A 24 -2.366 -14.887 -5.351 1.00 0.26 H new ATOM 0 HB3 ASP A 24 -2.226 -13.202 -4.892 1.00 0.26 H new ATOM 368 N GLY A 25 1.009 -12.167 -5.140 1.00 0.23 N ATOM 369 CA GLY A 25 1.606 -10.815 -5.343 1.00 0.22 C ATOM 370 C GLY A 25 0.558 -9.741 -5.020 1.00 0.21 C ATOM 371 O GLY A 25 0.587 -8.660 -5.577 1.00 0.21 O ATOM 0 H GLY A 25 1.317 -12.659 -4.301 1.00 0.23 H new ATOM 0 HA2 GLY A 25 2.479 -10.691 -4.702 1.00 0.22 H new ATOM 0 HA3 GLY A 25 1.948 -10.707 -6.372 1.00 0.22 H new ATOM 375 N THR A 26 -0.371 -10.018 -4.125 1.00 0.21 N ATOM 376 CA THR A 26 -1.414 -9.001 -3.778 1.00 0.21 C ATOM 377 C THR A 26 -1.682 -9.024 -2.271 1.00 0.20 C ATOM 378 O THR A 26 -1.261 -9.922 -1.568 1.00 0.22 O ATOM 379 CB THR A 26 -2.716 -9.322 -4.517 1.00 0.21 C ATOM 380 OG1 THR A 26 -3.240 -10.552 -4.037 1.00 0.22 O ATOM 381 CG2 THR A 26 -2.442 -9.434 -6.018 1.00 0.23 C ATOM 0 H THR A 26 -0.448 -10.903 -3.624 1.00 0.21 H new ATOM 0 HA THR A 26 -1.055 -8.015 -4.073 1.00 0.21 H new ATOM 0 HB THR A 26 -3.438 -8.525 -4.341 1.00 0.21 H new ATOM 0 HG1 THR A 26 -4.074 -10.758 -4.508 1.00 0.22 H new ATOM 0 HG21 THR A 26 -3.370 -9.663 -6.541 1.00 0.23 H new ATOM 0 HG22 THR A 26 -2.041 -8.490 -6.386 1.00 0.23 H new ATOM 0 HG23 THR A 26 -1.719 -10.230 -6.198 1.00 0.23 H new ATOM 389 N ILE A 27 -2.391 -8.041 -1.773 1.00 0.19 N ATOM 390 CA ILE A 27 -2.713 -7.992 -0.313 1.00 0.19 C ATOM 391 C ILE A 27 -4.155 -7.512 -0.153 1.00 0.18 C ATOM 392 O ILE A 27 -4.751 -7.005 -1.084 1.00 0.20 O ATOM 393 CB ILE A 27 -1.759 -7.023 0.403 1.00 0.18 C ATOM 394 CG1 ILE A 27 -1.888 -5.614 -0.197 1.00 0.17 C ATOM 395 CG2 ILE A 27 -0.316 -7.518 0.245 1.00 0.21 C ATOM 396 CD1 ILE A 27 -1.010 -4.635 0.588 1.00 0.15 C ATOM 0 H ILE A 27 -2.763 -7.265 -2.320 1.00 0.19 H new ATOM 0 HA ILE A 27 -2.596 -8.982 0.127 1.00 0.19 H new ATOM 0 HB ILE A 27 -2.019 -6.983 1.461 1.00 0.18 H new ATOM 0 HG12 ILE A 27 -1.588 -5.626 -1.245 1.00 0.17 H new ATOM 0 HG13 ILE A 27 -2.928 -5.289 -0.166 1.00 0.17 H new ATOM 0 HG21 ILE A 27 0.362 -6.832 0.752 1.00 0.21 H new ATOM 0 HG22 ILE A 27 -0.222 -8.511 0.684 1.00 0.21 H new ATOM 0 HG23 ILE A 27 -0.061 -7.563 -0.814 1.00 0.21 H new ATOM 0 HD11 ILE A 27 -1.104 -3.637 0.159 1.00 0.15 H new ATOM 0 HD12 ILE A 27 -1.330 -4.614 1.630 1.00 0.15 H new ATOM 0 HD13 ILE A 27 0.030 -4.956 0.534 1.00 0.15 H new ATOM 408 N THR A 28 -4.732 -7.661 1.010 1.00 0.18 N ATOM 409 CA THR A 28 -6.137 -7.203 1.203 1.00 0.18 C ATOM 410 C THR A 28 -6.154 -5.771 1.729 1.00 0.15 C ATOM 411 O THR A 28 -5.166 -5.264 2.221 1.00 0.09 O ATOM 412 CB THR A 28 -6.836 -8.095 2.221 1.00 0.20 C ATOM 413 OG1 THR A 28 -6.564 -7.621 3.533 1.00 0.17 O ATOM 414 CG2 THR A 28 -6.333 -9.528 2.083 1.00 0.23 C ATOM 0 H THR A 28 -4.293 -8.078 1.831 1.00 0.18 H new ATOM 0 HA THR A 28 -6.651 -7.253 0.243 1.00 0.18 H new ATOM 0 HB THR A 28 -7.911 -8.072 2.041 1.00 0.20 H new ATOM 0 HG1 THR A 28 -6.728 -8.338 4.181 1.00 0.17 H new ATOM 0 HG21 THR A 28 -6.836 -10.162 2.813 1.00 0.23 H new ATOM 0 HG22 THR A 28 -6.545 -9.893 1.078 1.00 0.23 H new ATOM 0 HG23 THR A 28 -5.258 -9.555 2.259 1.00 0.23 H new ATOM 422 N THR A 29 -7.282 -5.124 1.644 1.00 0.20 N ATOM 423 CA THR A 29 -7.381 -3.733 2.155 1.00 0.19 C ATOM 424 C THR A 29 -7.246 -3.757 3.682 1.00 0.18 C ATOM 425 O THR A 29 -6.788 -2.809 4.289 1.00 0.16 O ATOM 426 CB THR A 29 -8.747 -3.154 1.763 1.00 0.24 C ATOM 427 OG1 THR A 29 -9.731 -4.174 1.857 1.00 0.39 O ATOM 428 CG2 THR A 29 -8.704 -2.622 0.328 1.00 0.25 C ATOM 0 H THR A 29 -8.140 -5.501 1.242 1.00 0.20 H new ATOM 0 HA THR A 29 -6.591 -3.115 1.729 1.00 0.19 H new ATOM 0 HB THR A 29 -8.994 -2.334 2.438 1.00 0.24 H new ATOM 0 HG1 THR A 29 -10.606 -3.808 1.609 1.00 0.39 H new ATOM 0 HG21 THR A 29 -9.679 -2.214 0.062 1.00 0.25 H new ATOM 0 HG22 THR A 29 -7.950 -1.839 0.253 1.00 0.25 H new ATOM 0 HG23 THR A 29 -8.452 -3.434 -0.354 1.00 0.25 H new ATOM 436 N LYS A 30 -7.649 -4.831 4.305 1.00 0.20 N ATOM 437 CA LYS A 30 -7.552 -4.912 5.788 1.00 0.19 C ATOM 438 C LYS A 30 -6.087 -4.825 6.221 1.00 0.15 C ATOM 439 O LYS A 30 -5.782 -4.399 7.317 1.00 0.16 O ATOM 440 CB LYS A 30 -8.145 -6.239 6.269 1.00 0.21 C ATOM 441 CG LYS A 30 -9.653 -6.258 6.000 1.00 0.24 C ATOM 442 CD LYS A 30 -10.179 -7.693 6.105 1.00 0.91 C ATOM 443 CE LYS A 30 -9.756 -8.304 7.443 1.00 1.99 C ATOM 444 NZ LYS A 30 -10.573 -9.521 7.716 1.00 2.45 N ATOM 0 H LYS A 30 -8.041 -5.655 3.850 1.00 0.20 H new ATOM 0 HA LYS A 30 -8.107 -4.082 6.226 1.00 0.19 H new ATOM 0 HB2 LYS A 30 -7.664 -7.071 5.755 1.00 0.21 H new ATOM 0 HB3 LYS A 30 -7.954 -6.369 7.334 1.00 0.21 H new ATOM 0 HG2 LYS A 30 -10.168 -5.618 6.717 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -9.860 -5.856 5.008 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -11.266 -7.699 6.020 1.00 0.91 H new ATOM 0 HD3 LYS A 30 -9.791 -8.293 5.282 1.00 0.91 H new ATOM 0 HE2 LYS A 30 -8.697 -8.562 7.418 1.00 1.99 H new ATOM 0 HE3 LYS A 30 -9.888 -7.577 8.245 1.00 1.99 H new ATOM 0 HZ1 LYS A 30 -10.285 -9.936 8.625 1.00 2.45 H new ATOM 0 HZ2 LYS A 30 -11.579 -9.262 7.757 1.00 2.45 H new ATOM 0 HZ3 LYS A 30 -10.425 -10.216 6.956 1.00 2.45 H new ATOM 458 N GLU A 31 -5.182 -5.233 5.371 1.00 0.13 N ATOM 459 CA GLU A 31 -3.724 -5.184 5.733 1.00 0.12 C ATOM 460 C GLU A 31 -3.065 -3.966 5.087 1.00 0.13 C ATOM 461 O GLU A 31 -1.856 -3.858 5.044 1.00 0.17 O ATOM 462 CB GLU A 31 -3.027 -6.451 5.226 1.00 0.10 C ATOM 463 CG GLU A 31 -3.787 -7.697 5.691 1.00 0.13 C ATOM 464 CD GLU A 31 -3.254 -8.923 4.949 1.00 0.14 C ATOM 465 OE1 GLU A 31 -2.956 -8.796 3.774 1.00 0.43 O ATOM 466 OE2 GLU A 31 -3.155 -9.970 5.569 1.00 0.20 O ATOM 0 H GLU A 31 -5.384 -5.599 4.441 1.00 0.13 H new ATOM 0 HA GLU A 31 -3.633 -5.116 6.817 1.00 0.12 H new ATOM 0 HB2 GLU A 31 -2.974 -6.434 4.137 1.00 0.10 H new ATOM 0 HB3 GLU A 31 -2.002 -6.483 5.595 1.00 0.10 H new ATOM 0 HG2 GLU A 31 -3.668 -7.829 6.766 1.00 0.13 H new ATOM 0 HG3 GLU A 31 -4.854 -7.578 5.501 1.00 0.13 H new ATOM 473 N LEU A 32 -3.839 -3.047 4.580 1.00 0.12 N ATOM 474 CA LEU A 32 -3.230 -1.850 3.934 1.00 0.14 C ATOM 475 C LEU A 32 -2.587 -0.959 5.001 1.00 0.17 C ATOM 476 O LEU A 32 -1.446 -0.558 4.879 1.00 0.20 O ATOM 477 CB LEU A 32 -4.315 -1.070 3.183 1.00 0.14 C ATOM 478 CG LEU A 32 -3.742 0.237 2.614 1.00 0.19 C ATOM 479 CD1 LEU A 32 -2.494 -0.052 1.766 1.00 0.21 C ATOM 480 CD2 LEU A 32 -4.808 0.912 1.745 1.00 0.20 C ATOM 0 H LEU A 32 -4.859 -3.072 4.584 1.00 0.12 H new ATOM 0 HA LEU A 32 -2.462 -2.167 3.228 1.00 0.14 H new ATOM 0 HB2 LEU A 32 -4.716 -1.681 2.374 1.00 0.14 H new ATOM 0 HB3 LEU A 32 -5.143 -0.848 3.856 1.00 0.14 H new ATOM 0 HG LEU A 32 -3.460 0.894 3.437 1.00 0.19 H new ATOM 0 HD11 LEU A 32 -2.099 0.883 1.369 1.00 0.21 H new ATOM 0 HD12 LEU A 32 -1.736 -0.532 2.385 1.00 0.21 H new ATOM 0 HD13 LEU A 32 -2.760 -0.712 0.941 1.00 0.21 H new ATOM 0 HD21 LEU A 32 -4.410 1.841 1.337 1.00 0.20 H new ATOM 0 HD22 LEU A 32 -5.086 0.246 0.928 1.00 0.20 H new ATOM 0 HD23 LEU A 32 -5.687 1.130 2.351 1.00 0.20 H new ATOM 492 N GLY A 33 -3.305 -0.640 6.044 1.00 0.17 N ATOM 493 CA GLY A 33 -2.722 0.227 7.104 1.00 0.20 C ATOM 494 C GLY A 33 -1.582 -0.514 7.804 1.00 0.20 C ATOM 495 O GLY A 33 -0.705 0.091 8.389 1.00 0.21 O ATOM 0 H GLY A 33 -4.266 -0.941 6.206 1.00 0.17 H new ATOM 0 HA2 GLY A 33 -2.352 1.154 6.667 1.00 0.20 H new ATOM 0 HA3 GLY A 33 -3.490 0.500 7.828 1.00 0.20 H new ATOM 499 N THR A 34 -1.585 -1.819 7.754 1.00 0.19 N ATOM 500 CA THR A 34 -0.497 -2.585 8.425 1.00 0.19 C ATOM 501 C THR A 34 0.792 -2.476 7.606 1.00 0.15 C ATOM 502 O THR A 34 1.868 -2.331 8.150 1.00 0.13 O ATOM 503 CB THR A 34 -0.909 -4.053 8.555 1.00 0.19 C ATOM 504 OG1 THR A 34 -2.261 -4.122 8.984 1.00 0.20 O ATOM 505 CG2 THR A 34 -0.013 -4.760 9.577 1.00 0.20 C ATOM 0 H THR A 34 -2.290 -2.384 7.280 1.00 0.19 H new ATOM 0 HA THR A 34 -0.323 -2.172 9.419 1.00 0.19 H new ATOM 0 HB THR A 34 -0.802 -4.544 7.588 1.00 0.19 H new ATOM 0 HG1 THR A 34 -2.530 -5.061 9.067 1.00 0.20 H new ATOM 0 HG21 THR A 34 -0.313 -5.804 9.663 1.00 0.20 H new ATOM 0 HG22 THR A 34 1.025 -4.707 9.249 1.00 0.20 H new ATOM 0 HG23 THR A 34 -0.113 -4.273 10.547 1.00 0.20 H new ATOM 513 N VAL A 35 0.700 -2.538 6.307 1.00 0.13 N ATOM 514 CA VAL A 35 1.931 -2.427 5.477 1.00 0.09 C ATOM 515 C VAL A 35 2.500 -1.016 5.627 1.00 0.08 C ATOM 516 O VAL A 35 3.676 -0.833 5.879 1.00 0.05 O ATOM 517 CB VAL A 35 1.593 -2.693 4.008 1.00 0.07 C ATOM 518 CG1 VAL A 35 2.847 -2.507 3.151 1.00 0.05 C ATOM 519 CG2 VAL A 35 1.084 -4.130 3.851 1.00 0.07 C ATOM 0 H VAL A 35 -0.169 -2.660 5.787 1.00 0.13 H new ATOM 0 HA VAL A 35 2.666 -3.161 5.808 1.00 0.09 H new ATOM 0 HB VAL A 35 0.822 -1.994 3.684 1.00 0.07 H new ATOM 0 HG11 VAL A 35 2.605 -2.697 2.105 1.00 0.05 H new ATOM 0 HG12 VAL A 35 3.213 -1.486 3.259 1.00 0.05 H new ATOM 0 HG13 VAL A 35 3.618 -3.205 3.477 1.00 0.05 H new ATOM 0 HG21 VAL A 35 0.844 -4.319 2.805 1.00 0.07 H new ATOM 0 HG22 VAL A 35 1.856 -4.827 4.177 1.00 0.07 H new ATOM 0 HG23 VAL A 35 0.190 -4.268 4.459 1.00 0.07 H new ATOM 529 N MET A 36 1.673 -0.017 5.484 1.00 0.12 N ATOM 530 CA MET A 36 2.166 1.376 5.630 1.00 0.13 C ATOM 531 C MET A 36 2.802 1.536 7.012 1.00 0.13 C ATOM 532 O MET A 36 3.764 2.259 7.185 1.00 0.12 O ATOM 533 CB MET A 36 0.982 2.341 5.489 1.00 0.18 C ATOM 534 CG MET A 36 0.606 2.504 4.005 1.00 0.22 C ATOM 535 SD MET A 36 1.522 3.899 3.298 1.00 0.91 S ATOM 536 CE MET A 36 0.235 4.476 2.163 1.00 0.27 C ATOM 0 H MET A 36 0.679 -0.108 5.273 1.00 0.12 H new ATOM 0 HA MET A 36 2.907 1.596 4.862 1.00 0.13 H new ATOM 0 HB2 MET A 36 0.127 1.964 6.050 1.00 0.18 H new ATOM 0 HB3 MET A 36 1.240 3.310 5.915 1.00 0.18 H new ATOM 0 HG2 MET A 36 0.836 1.590 3.458 1.00 0.22 H new ATOM 0 HG3 MET A 36 -0.466 2.673 3.907 1.00 0.22 H new ATOM 0 HE1 MET A 36 0.671 5.161 1.436 1.00 0.27 H new ATOM 0 HE2 MET A 36 -0.200 3.623 1.642 1.00 0.27 H new ATOM 0 HE3 MET A 36 -0.543 4.992 2.727 1.00 0.27 H new ATOM 546 N ARG A 37 2.276 0.861 8.002 1.00 0.13 N ATOM 547 CA ARG A 37 2.854 0.972 9.370 1.00 0.12 C ATOM 548 C ARG A 37 4.281 0.424 9.363 1.00 0.18 C ATOM 549 O ARG A 37 5.154 0.932 10.038 1.00 0.27 O ATOM 550 CB ARG A 37 1.992 0.170 10.359 1.00 0.12 C ATOM 551 CG ARG A 37 0.730 0.971 10.738 1.00 0.13 C ATOM 552 CD ARG A 37 1.029 1.898 11.923 1.00 1.11 C ATOM 553 NE ARG A 37 1.080 1.099 13.178 1.00 1.12 N ATOM 554 CZ ARG A 37 1.603 1.610 14.258 1.00 2.35 C ATOM 555 NH1 ARG A 37 2.075 2.829 14.238 1.00 3.58 N ATOM 556 NH2 ARG A 37 1.656 0.908 15.357 1.00 2.41 N ATOM 0 H ARG A 37 1.472 0.239 7.920 1.00 0.13 H new ATOM 0 HA ARG A 37 2.871 2.018 9.677 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.706 -0.783 9.914 1.00 0.12 H new ATOM 0 HB3 ARG A 37 2.570 -0.057 11.255 1.00 0.12 H new ATOM 0 HG2 ARG A 37 0.392 1.558 9.884 1.00 0.13 H new ATOM 0 HG3 ARG A 37 -0.080 0.288 10.996 1.00 0.13 H new ATOM 0 HD2 ARG A 37 1.978 2.411 11.767 1.00 1.11 H new ATOM 0 HD3 ARG A 37 0.260 2.667 12.000 1.00 1.11 H new ATOM 0 HE ARG A 37 0.705 0.150 13.193 1.00 1.12 H new ATOM 0 HH11 ARG A 37 2.034 3.378 13.379 1.00 3.58 H new ATOM 0 HH12 ARG A 37 2.485 3.231 15.081 1.00 3.58 H new ATOM 0 HH21 ARG A 37 1.288 -0.043 15.373 1.00 2.41 H new ATOM 0 HH22 ARG A 37 2.066 1.310 16.200 1.00 2.41 H new ATOM 570 N SER A 38 4.529 -0.603 8.601 1.00 0.14 N ATOM 571 CA SER A 38 5.903 -1.171 8.553 1.00 0.19 C ATOM 572 C SER A 38 6.869 -0.097 8.055 1.00 0.21 C ATOM 573 O SER A 38 8.004 -0.019 8.484 1.00 0.29 O ATOM 574 CB SER A 38 5.933 -2.366 7.600 1.00 0.22 C ATOM 575 OG SER A 38 5.861 -1.902 6.259 1.00 0.16 O ATOM 0 H SER A 38 3.842 -1.072 8.011 1.00 0.14 H new ATOM 0 HA SER A 38 6.198 -1.500 9.549 1.00 0.19 H new ATOM 0 HB2 SER A 38 6.847 -2.941 7.749 1.00 0.22 H new ATOM 0 HB3 SER A 38 5.098 -3.034 7.811 1.00 0.22 H new ATOM 0 HG SER A 38 4.930 -1.926 5.954 1.00 0.16 H new ATOM 581 N LEU A 39 6.429 0.735 7.150 1.00 0.18 N ATOM 582 CA LEU A 39 7.323 1.807 6.624 1.00 0.21 C ATOM 583 C LEU A 39 7.402 2.953 7.638 1.00 0.21 C ATOM 584 O LEU A 39 8.093 3.930 7.430 1.00 0.23 O ATOM 585 CB LEU A 39 6.769 2.334 5.298 1.00 0.20 C ATOM 586 CG LEU A 39 6.425 1.161 4.376 1.00 0.19 C ATOM 587 CD1 LEU A 39 5.793 1.695 3.089 1.00 0.20 C ATOM 588 CD2 LEU A 39 7.700 0.378 4.033 1.00 0.23 C ATOM 0 H LEU A 39 5.490 0.719 6.752 1.00 0.18 H new ATOM 0 HA LEU A 39 8.320 1.398 6.462 1.00 0.21 H new ATOM 0 HB2 LEU A 39 5.880 2.938 5.479 1.00 0.20 H new ATOM 0 HB3 LEU A 39 7.503 2.982 4.819 1.00 0.20 H new ATOM 0 HG LEU A 39 5.722 0.499 4.882 1.00 0.19 H new ATOM 0 HD11 LEU A 39 5.547 0.861 2.431 1.00 0.20 H new ATOM 0 HD12 LEU A 39 4.884 2.246 3.331 1.00 0.20 H new ATOM 0 HD13 LEU A 39 6.497 2.359 2.586 1.00 0.20 H new ATOM 0 HD21 LEU A 39 7.450 -0.456 3.377 1.00 0.23 H new ATOM 0 HD22 LEU A 39 8.407 1.037 3.529 1.00 0.23 H new ATOM 0 HD23 LEU A 39 8.150 -0.004 4.949 1.00 0.23 H new ATOM 600 N GLY A 40 6.705 2.838 8.739 1.00 0.21 N ATOM 601 CA GLY A 40 6.748 3.917 9.774 1.00 0.22 C ATOM 602 C GLY A 40 5.671 4.973 9.497 1.00 0.21 C ATOM 603 O GLY A 40 5.726 6.068 10.022 1.00 0.23 O ATOM 0 H GLY A 40 6.107 2.044 8.967 1.00 0.21 H new ATOM 0 HA2 GLY A 40 6.596 3.486 10.763 1.00 0.22 H new ATOM 0 HA3 GLY A 40 7.732 4.386 9.778 1.00 0.22 H new ATOM 607 N GLN A 41 4.690 4.660 8.687 1.00 0.20 N ATOM 608 CA GLN A 41 3.606 5.652 8.387 1.00 0.21 C ATOM 609 C GLN A 41 2.376 5.326 9.239 1.00 0.19 C ATOM 610 O GLN A 41 2.038 4.176 9.428 1.00 0.24 O ATOM 611 CB GLN A 41 3.230 5.568 6.906 1.00 0.20 C ATOM 612 CG GLN A 41 4.331 6.212 6.063 1.00 0.39 C ATOM 613 CD GLN A 41 4.270 7.733 6.219 1.00 1.27 C ATOM 614 OE1 GLN A 41 3.213 8.323 6.116 1.00 2.09 O ATOM 615 NE2 GLN A 41 5.366 8.396 6.464 1.00 1.85 N ATOM 0 H GLN A 41 4.591 3.759 8.219 1.00 0.20 H new ATOM 0 HA GLN A 41 3.959 6.658 8.616 1.00 0.21 H new ATOM 0 HB2 GLN A 41 3.095 4.527 6.613 1.00 0.20 H new ATOM 0 HB3 GLN A 41 2.281 6.074 6.732 1.00 0.20 H new ATOM 0 HG2 GLN A 41 5.307 5.843 6.377 1.00 0.39 H new ATOM 0 HG3 GLN A 41 4.209 5.938 5.015 1.00 0.39 H new ATOM 0 HE21 GLN A 41 6.253 7.900 6.550 1.00 1.85 H new ATOM 0 HE22 GLN A 41 5.336 9.410 6.569 1.00 1.85 H new ATOM 624 N ASN A 42 1.708 6.326 9.768 1.00 0.13 N ATOM 625 CA ASN A 42 0.501 6.065 10.621 1.00 0.12 C ATOM 626 C ASN A 42 -0.639 7.019 10.237 1.00 0.10 C ATOM 627 O ASN A 42 -0.929 7.944 10.970 1.00 0.08 O ATOM 628 CB ASN A 42 0.872 6.299 12.088 1.00 0.10 C ATOM 629 CG ASN A 42 -0.283 5.845 12.982 1.00 0.11 C ATOM 630 OD1 ASN A 42 -1.395 6.311 12.838 1.00 0.85 O ATOM 631 ND2 ASN A 42 -0.065 4.950 13.906 1.00 0.81 N ATOM 0 H ASN A 42 1.946 7.310 9.646 1.00 0.13 H new ATOM 0 HA ASN A 42 0.171 5.037 10.470 1.00 0.12 H new ATOM 0 HB2 ASN A 42 1.778 5.748 12.338 1.00 0.10 H new ATOM 0 HB3 ASN A 42 1.084 7.355 12.257 1.00 0.10 H new ATOM 0 HD21 ASN A 42 -0.829 4.642 14.508 1.00 0.81 H new ATOM 0 HD22 ASN A 42 0.869 4.559 14.027 1.00 0.81 H new ATOM 638 N PRO A 43 -1.271 6.767 9.109 1.00 0.15 N ATOM 639 CA PRO A 43 -2.393 7.607 8.650 1.00 0.17 C ATOM 640 C PRO A 43 -3.609 7.342 9.546 1.00 0.15 C ATOM 641 O PRO A 43 -3.752 6.270 10.099 1.00 0.14 O ATOM 642 CB PRO A 43 -2.663 7.144 7.198 1.00 0.23 C ATOM 643 CG PRO A 43 -1.793 5.877 6.946 1.00 0.24 C ATOM 644 CD PRO A 43 -0.924 5.649 8.204 1.00 0.20 C ATOM 0 HA PRO A 43 -2.181 8.675 8.694 1.00 0.17 H new ATOM 0 HB2 PRO A 43 -3.720 6.918 7.057 1.00 0.23 H new ATOM 0 HB3 PRO A 43 -2.408 7.932 6.490 1.00 0.23 H new ATOM 0 HG2 PRO A 43 -2.425 5.010 6.755 1.00 0.24 H new ATOM 0 HG3 PRO A 43 -1.164 6.013 6.066 1.00 0.24 H new ATOM 0 HD2 PRO A 43 -1.140 4.685 8.665 1.00 0.20 H new ATOM 0 HD3 PRO A 43 0.138 5.654 7.958 1.00 0.20 H new ATOM 652 N THR A 44 -4.493 8.291 9.690 1.00 0.15 N ATOM 653 CA THR A 44 -5.684 8.039 10.545 1.00 0.13 C ATOM 654 C THR A 44 -6.586 7.028 9.842 1.00 0.10 C ATOM 655 O THR A 44 -6.357 6.664 8.706 1.00 0.09 O ATOM 656 CB THR A 44 -6.464 9.336 10.767 1.00 0.15 C ATOM 657 OG1 THR A 44 -6.722 9.953 9.515 1.00 0.12 O ATOM 658 CG2 THR A 44 -5.649 10.283 11.649 1.00 0.21 C ATOM 0 H THR A 44 -4.444 9.215 9.260 1.00 0.15 H new ATOM 0 HA THR A 44 -5.358 7.654 11.511 1.00 0.13 H new ATOM 0 HB THR A 44 -7.409 9.110 11.261 1.00 0.15 H new ATOM 0 HG1 THR A 44 -7.223 10.783 9.657 1.00 0.12 H new ATOM 0 HG21 THR A 44 -6.208 11.206 11.805 1.00 0.21 H new ATOM 0 HG22 THR A 44 -5.456 9.808 12.611 1.00 0.21 H new ATOM 0 HG23 THR A 44 -4.702 10.511 11.160 1.00 0.21 H new ATOM 666 N GLU A 45 -7.603 6.570 10.505 1.00 0.09 N ATOM 667 CA GLU A 45 -8.512 5.579 9.875 1.00 0.06 C ATOM 668 C GLU A 45 -9.214 6.215 8.676 1.00 0.05 C ATOM 669 O GLU A 45 -9.282 5.637 7.609 1.00 0.08 O ATOM 670 CB GLU A 45 -9.554 5.129 10.900 1.00 0.06 C ATOM 671 CG GLU A 45 -8.908 4.162 11.894 1.00 0.05 C ATOM 672 CD GLU A 45 -9.952 3.715 12.919 1.00 0.94 C ATOM 673 OE1 GLU A 45 -11.123 3.960 12.689 1.00 1.59 O ATOM 674 OE2 GLU A 45 -9.559 3.132 13.917 1.00 1.40 O ATOM 0 H GLU A 45 -7.846 6.839 11.458 1.00 0.09 H new ATOM 0 HA GLU A 45 -7.935 4.718 9.537 1.00 0.06 H new ATOM 0 HB2 GLU A 45 -9.958 5.993 11.427 1.00 0.06 H new ATOM 0 HB3 GLU A 45 -10.390 4.644 10.396 1.00 0.06 H new ATOM 0 HG2 GLU A 45 -8.506 3.297 11.367 1.00 0.05 H new ATOM 0 HG3 GLU A 45 -8.071 4.646 12.398 1.00 0.05 H new ATOM 681 N ALA A 46 -9.741 7.394 8.833 1.00 0.20 N ATOM 682 CA ALA A 46 -10.437 8.039 7.687 1.00 0.22 C ATOM 683 C ALA A 46 -9.457 8.212 6.529 1.00 0.20 C ATOM 684 O ALA A 46 -9.814 8.053 5.378 1.00 0.19 O ATOM 685 CB ALA A 46 -10.999 9.398 8.108 1.00 0.28 C ATOM 0 H ALA A 46 -9.721 7.936 9.697 1.00 0.20 H new ATOM 0 HA ALA A 46 -11.264 7.406 7.367 1.00 0.22 H new ATOM 0 HB1 ALA A 46 -11.506 9.860 7.261 1.00 0.28 H new ATOM 0 HB2 ALA A 46 -11.708 9.261 8.925 1.00 0.28 H new ATOM 0 HB3 ALA A 46 -10.184 10.042 8.439 1.00 0.28 H new ATOM 691 N GLU A 47 -8.217 8.515 6.810 1.00 0.21 N ATOM 692 CA GLU A 47 -7.240 8.665 5.700 1.00 0.20 C ATOM 693 C GLU A 47 -7.201 7.345 4.929 1.00 0.20 C ATOM 694 O GLU A 47 -7.143 7.322 3.718 1.00 0.25 O ATOM 695 CB GLU A 47 -5.846 8.976 6.262 1.00 0.21 C ATOM 696 CG GLU A 47 -5.736 10.470 6.577 1.00 0.15 C ATOM 697 CD GLU A 47 -4.326 10.780 7.083 1.00 0.11 C ATOM 698 OE1 GLU A 47 -3.394 10.639 6.307 1.00 0.78 O ATOM 699 OE2 GLU A 47 -4.201 11.154 8.239 1.00 0.51 O ATOM 0 H GLU A 47 -7.845 8.663 7.748 1.00 0.21 H new ATOM 0 HA GLU A 47 -7.537 9.484 5.045 1.00 0.20 H new ATOM 0 HB2 GLU A 47 -5.669 8.391 7.164 1.00 0.21 H new ATOM 0 HB3 GLU A 47 -5.081 8.690 5.541 1.00 0.21 H new ATOM 0 HG2 GLU A 47 -5.952 11.058 5.685 1.00 0.15 H new ATOM 0 HG3 GLU A 47 -6.474 10.750 7.329 1.00 0.15 H new ATOM 706 N LEU A 48 -7.241 6.245 5.632 1.00 0.17 N ATOM 707 CA LEU A 48 -7.213 4.926 4.942 1.00 0.20 C ATOM 708 C LEU A 48 -8.552 4.685 4.234 1.00 0.22 C ATOM 709 O LEU A 48 -8.591 4.394 3.055 1.00 0.33 O ATOM 710 CB LEU A 48 -6.979 3.810 5.970 1.00 0.22 C ATOM 711 CG LEU A 48 -5.513 3.808 6.436 1.00 0.21 C ATOM 712 CD1 LEU A 48 -5.361 2.827 7.604 1.00 0.36 C ATOM 713 CD2 LEU A 48 -4.576 3.385 5.280 1.00 0.34 C ATOM 0 H LEU A 48 -7.292 6.204 6.650 1.00 0.17 H new ATOM 0 HA LEU A 48 -6.406 4.924 4.209 1.00 0.20 H new ATOM 0 HB2 LEU A 48 -7.639 3.951 6.826 1.00 0.22 H new ATOM 0 HB3 LEU A 48 -7.229 2.844 5.531 1.00 0.22 H new ATOM 0 HG LEU A 48 -5.239 4.814 6.754 1.00 0.21 H new ATOM 0 HD11 LEU A 48 -4.324 2.820 7.940 1.00 0.36 H new ATOM 0 HD12 LEU A 48 -6.007 3.137 8.426 1.00 0.36 H new ATOM 0 HD13 LEU A 48 -5.644 1.826 7.278 1.00 0.36 H new ATOM 0 HD21 LEU A 48 -3.543 3.389 5.629 1.00 0.34 H new ATOM 0 HD22 LEU A 48 -4.841 2.382 4.945 1.00 0.34 H new ATOM 0 HD23 LEU A 48 -4.682 4.085 4.451 1.00 0.34 H new ATOM 725 N GLN A 49 -9.648 4.788 4.941 1.00 0.23 N ATOM 726 CA GLN A 49 -10.969 4.544 4.304 1.00 0.23 C ATOM 727 C GLN A 49 -11.163 5.468 3.099 1.00 0.24 C ATOM 728 O GLN A 49 -11.972 5.207 2.231 1.00 0.29 O ATOM 729 CB GLN A 49 -12.063 4.821 5.334 1.00 0.20 C ATOM 730 CG GLN A 49 -12.126 3.697 6.385 1.00 0.20 C ATOM 731 CD GLN A 49 -10.722 3.221 6.780 1.00 2.20 C ATOM 732 OE1 GLN A 49 -10.252 3.511 7.861 1.00 3.38 O ATOM 733 NE2 GLN A 49 -10.036 2.485 5.948 1.00 3.48 N ATOM 0 H GLN A 49 -9.681 5.031 5.931 1.00 0.23 H new ATOM 0 HA GLN A 49 -11.019 3.511 3.961 1.00 0.23 H new ATOM 0 HB2 GLN A 49 -11.871 5.774 5.826 1.00 0.20 H new ATOM 0 HB3 GLN A 49 -13.027 4.909 4.832 1.00 0.20 H new ATOM 0 HG2 GLN A 49 -12.653 4.053 7.270 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -12.698 2.858 5.989 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -10.430 2.241 5.039 1.00 3.48 H new ATOM 0 HE22 GLN A 49 -9.106 2.154 6.207 1.00 3.48 H new ATOM 742 N ASP A 50 -10.441 6.548 3.042 1.00 0.21 N ATOM 743 CA ASP A 50 -10.600 7.483 1.893 1.00 0.21 C ATOM 744 C ASP A 50 -9.908 6.901 0.662 1.00 0.22 C ATOM 745 O ASP A 50 -10.480 6.828 -0.408 1.00 0.26 O ATOM 746 CB ASP A 50 -9.980 8.839 2.241 1.00 0.22 C ATOM 747 CG ASP A 50 -10.195 9.813 1.082 1.00 1.04 C ATOM 748 OD1 ASP A 50 -9.874 9.450 -0.038 1.00 2.37 O ATOM 749 OD2 ASP A 50 -10.676 10.905 1.333 1.00 1.00 O ATOM 0 H ASP A 50 -9.749 6.825 3.738 1.00 0.21 H new ATOM 0 HA ASP A 50 -11.661 7.618 1.681 1.00 0.21 H new ATOM 0 HB2 ASP A 50 -10.432 9.234 3.150 1.00 0.22 H new ATOM 0 HB3 ASP A 50 -8.914 8.723 2.439 1.00 0.22 H new ATOM 754 N MET A 51 -8.685 6.478 0.806 1.00 0.19 N ATOM 755 CA MET A 51 -7.967 5.889 -0.357 1.00 0.22 C ATOM 756 C MET A 51 -8.673 4.598 -0.760 1.00 0.25 C ATOM 757 O MET A 51 -8.739 4.251 -1.923 1.00 0.33 O ATOM 758 CB MET A 51 -6.514 5.581 0.029 1.00 0.22 C ATOM 759 CG MET A 51 -5.846 6.833 0.613 1.00 0.20 C ATOM 760 SD MET A 51 -4.050 6.683 0.455 1.00 0.28 S ATOM 761 CE MET A 51 -3.779 5.640 1.908 1.00 0.28 C ATOM 0 H MET A 51 -8.153 6.514 1.675 1.00 0.19 H new ATOM 0 HA MET A 51 -7.969 6.593 -1.189 1.00 0.22 H new ATOM 0 HB2 MET A 51 -6.487 4.771 0.758 1.00 0.22 H new ATOM 0 HB3 MET A 51 -5.962 5.240 -0.846 1.00 0.22 H new ATOM 0 HG2 MET A 51 -6.195 7.723 0.090 1.00 0.20 H new ATOM 0 HG3 MET A 51 -6.122 6.951 1.661 1.00 0.20 H new ATOM 0 HE1 MET A 51 -2.716 5.420 2.005 1.00 0.28 H new ATOM 0 HE2 MET A 51 -4.124 6.162 2.800 1.00 0.28 H new ATOM 0 HE3 MET A 51 -4.334 4.708 1.796 1.00 0.28 H new ATOM 771 N ILE A 52 -9.210 3.890 0.191 1.00 0.20 N ATOM 772 CA ILE A 52 -9.921 2.627 -0.132 1.00 0.23 C ATOM 773 C ILE A 52 -11.093 2.941 -1.063 1.00 0.23 C ATOM 774 O ILE A 52 -11.329 2.253 -2.030 1.00 0.22 O ATOM 775 CB ILE A 52 -10.442 1.986 1.164 1.00 0.26 C ATOM 776 CG1 ILE A 52 -9.245 1.435 1.960 1.00 0.26 C ATOM 777 CG2 ILE A 52 -11.417 0.848 0.829 1.00 0.25 C ATOM 778 CD1 ILE A 52 -9.700 0.834 3.301 1.00 0.30 C ATOM 0 H ILE A 52 -9.187 4.133 1.181 1.00 0.20 H new ATOM 0 HA ILE A 52 -9.240 1.932 -0.624 1.00 0.23 H new ATOM 0 HB ILE A 52 -10.969 2.732 1.759 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -8.733 0.673 1.372 1.00 0.26 H new ATOM 0 HG13 ILE A 52 -8.526 2.234 2.141 1.00 0.26 H new ATOM 0 HG21 ILE A 52 -11.782 0.398 1.752 1.00 0.25 H new ATOM 0 HG22 ILE A 52 -12.258 1.245 0.261 1.00 0.25 H new ATOM 0 HG23 ILE A 52 -10.903 0.092 0.235 1.00 0.25 H new ATOM 0 HD11 ILE A 52 -8.834 0.453 3.841 1.00 0.30 H new ATOM 0 HD12 ILE A 52 -10.190 1.604 3.897 1.00 0.30 H new ATOM 0 HD13 ILE A 52 -10.400 0.019 3.116 1.00 0.30 H new ATOM 790 N ASN A 53 -11.832 3.967 -0.764 1.00 0.23 N ATOM 791 CA ASN A 53 -12.999 4.322 -1.617 1.00 0.23 C ATOM 792 C ASN A 53 -12.559 4.434 -3.084 1.00 0.22 C ATOM 793 O ASN A 53 -13.320 4.165 -3.991 1.00 0.30 O ATOM 794 CB ASN A 53 -13.601 5.662 -1.125 1.00 0.21 C ATOM 795 CG ASN A 53 -15.132 5.622 -1.204 1.00 0.47 C ATOM 796 OD1 ASN A 53 -15.805 5.656 -0.194 1.00 1.19 O ATOM 797 ND2 ASN A 53 -15.711 5.550 -2.371 1.00 1.03 N ATOM 0 H ASN A 53 -11.679 4.579 0.037 1.00 0.23 H new ATOM 0 HA ASN A 53 -13.758 3.543 -1.545 1.00 0.23 H new ATOM 0 HB2 ASN A 53 -13.288 5.853 -0.098 1.00 0.21 H new ATOM 0 HB3 ASN A 53 -13.221 6.483 -1.732 1.00 0.21 H new ATOM 0 HD21 ASN A 53 -16.729 5.522 -2.435 1.00 1.03 H new ATOM 0 HD22 ASN A 53 -15.146 5.521 -3.220 1.00 1.03 H new ATOM 804 N GLU A 54 -11.340 4.834 -3.320 1.00 0.19 N ATOM 805 CA GLU A 54 -10.858 4.968 -4.729 1.00 0.22 C ATOM 806 C GLU A 54 -10.453 3.604 -5.284 1.00 0.38 C ATOM 807 O GLU A 54 -10.944 3.163 -6.302 1.00 0.52 O ATOM 808 CB GLU A 54 -9.656 5.925 -4.772 1.00 0.29 C ATOM 809 CG GLU A 54 -10.144 7.379 -4.732 1.00 0.09 C ATOM 810 CD GLU A 54 -8.943 8.317 -4.595 1.00 0.74 C ATOM 811 OE1 GLU A 54 -8.466 8.480 -3.484 1.00 1.66 O ATOM 812 OE2 GLU A 54 -8.521 8.859 -5.604 1.00 1.18 O ATOM 0 H GLU A 54 -10.656 5.074 -2.602 1.00 0.19 H new ATOM 0 HA GLU A 54 -11.665 5.369 -5.342 1.00 0.22 H new ATOM 0 HB2 GLU A 54 -8.995 5.731 -3.927 1.00 0.29 H new ATOM 0 HB3 GLU A 54 -9.075 5.752 -5.678 1.00 0.29 H new ATOM 0 HG2 GLU A 54 -10.699 7.612 -5.640 1.00 0.09 H new ATOM 0 HG3 GLU A 54 -10.828 7.521 -3.895 1.00 0.09 H new ATOM 819 N VAL A 55 -9.545 2.946 -4.631 1.00 0.40 N ATOM 820 CA VAL A 55 -9.085 1.617 -5.130 1.00 0.56 C ATOM 821 C VAL A 55 -10.226 0.619 -5.073 1.00 0.55 C ATOM 822 O VAL A 55 -10.272 -0.351 -5.803 1.00 0.68 O ATOM 823 CB VAL A 55 -7.931 1.110 -4.274 1.00 0.64 C ATOM 824 CG1 VAL A 55 -7.229 -0.029 -5.012 1.00 0.74 C ATOM 825 CG2 VAL A 55 -6.950 2.252 -4.026 1.00 0.56 C ATOM 0 H VAL A 55 -9.098 3.266 -3.772 1.00 0.40 H new ATOM 0 HA VAL A 55 -8.750 1.728 -6.161 1.00 0.56 H new ATOM 0 HB VAL A 55 -8.305 0.746 -3.317 1.00 0.64 H new ATOM 0 HG11 VAL A 55 -6.401 -0.399 -4.407 1.00 0.74 H new ATOM 0 HG12 VAL A 55 -7.937 -0.838 -5.191 1.00 0.74 H new ATOM 0 HG13 VAL A 55 -6.847 0.336 -5.965 1.00 0.74 H new ATOM 0 HG21 VAL A 55 -6.122 1.894 -3.414 1.00 0.56 H new ATOM 0 HG22 VAL A 55 -6.566 2.615 -4.979 1.00 0.56 H new ATOM 0 HG23 VAL A 55 -7.460 3.064 -3.508 1.00 0.56 H new ATOM 835 N ASP A 56 -11.139 0.869 -4.209 1.00 0.42 N ATOM 836 CA ASP A 56 -12.318 -0.039 -4.068 1.00 0.50 C ATOM 837 C ASP A 56 -13.306 0.288 -5.178 1.00 0.58 C ATOM 838 O ASP A 56 -14.507 0.247 -5.005 1.00 0.62 O ATOM 839 CB ASP A 56 -12.989 0.161 -2.706 1.00 0.42 C ATOM 840 CG ASP A 56 -14.191 -0.779 -2.591 1.00 0.55 C ATOM 841 OD1 ASP A 56 -14.246 -1.733 -3.350 1.00 0.73 O ATOM 842 OD2 ASP A 56 -15.035 -0.527 -1.746 1.00 1.62 O ATOM 0 H ASP A 56 -11.135 1.670 -3.578 1.00 0.42 H new ATOM 0 HA ASP A 56 -11.993 -1.077 -4.139 1.00 0.50 H new ATOM 0 HB2 ASP A 56 -12.278 -0.040 -1.905 1.00 0.42 H new ATOM 0 HB3 ASP A 56 -13.311 1.196 -2.595 1.00 0.42 H new ATOM 847 N ALA A 57 -12.783 0.618 -6.315 1.00 0.62 N ATOM 848 CA ALA A 57 -13.632 0.968 -7.477 1.00 0.70 C ATOM 849 C ALA A 57 -14.135 -0.308 -8.143 1.00 0.85 C ATOM 850 O ALA A 57 -15.130 -0.313 -8.840 1.00 0.91 O ATOM 851 CB ALA A 57 -12.790 1.789 -8.456 1.00 0.70 C ATOM 0 H ALA A 57 -11.780 0.661 -6.493 1.00 0.62 H new ATOM 0 HA ALA A 57 -14.496 1.552 -7.159 1.00 0.70 H new ATOM 0 HB1 ALA A 57 -13.397 2.058 -9.321 1.00 0.70 H new ATOM 0 HB2 ALA A 57 -12.439 2.695 -7.963 1.00 0.70 H new ATOM 0 HB3 ALA A 57 -11.934 1.199 -8.783 1.00 0.70 H new ATOM 857 N ASP A 58 -13.456 -1.393 -7.919 1.00 0.92 N ATOM 858 CA ASP A 58 -13.876 -2.686 -8.514 1.00 1.06 C ATOM 859 C ASP A 58 -15.016 -3.270 -7.685 1.00 1.11 C ATOM 860 O ASP A 58 -15.752 -4.126 -8.132 1.00 1.22 O ATOM 861 CB ASP A 58 -12.691 -3.661 -8.564 1.00 1.13 C ATOM 862 CG ASP A 58 -13.048 -4.849 -9.457 1.00 1.35 C ATOM 863 OD1 ASP A 58 -12.928 -4.716 -10.665 1.00 1.22 O ATOM 864 OD2 ASP A 58 -13.436 -5.874 -8.919 1.00 2.00 O ATOM 0 H ASP A 58 -12.617 -1.439 -7.341 1.00 0.92 H new ATOM 0 HA ASP A 58 -14.221 -2.522 -9.535 1.00 1.06 H new ATOM 0 HB2 ASP A 58 -11.806 -3.155 -8.950 1.00 1.13 H new ATOM 0 HB3 ASP A 58 -12.448 -4.007 -7.559 1.00 1.13 H new ATOM 869 N GLY A 59 -15.162 -2.813 -6.473 1.00 1.03 N ATOM 870 CA GLY A 59 -16.251 -3.335 -5.600 1.00 1.09 C ATOM 871 C GLY A 59 -15.809 -4.653 -4.951 1.00 1.17 C ATOM 872 O GLY A 59 -16.580 -5.586 -4.845 1.00 1.10 O ATOM 0 H GLY A 59 -14.572 -2.098 -6.048 1.00 1.03 H new ATOM 0 HA2 GLY A 59 -16.495 -2.603 -4.830 1.00 1.09 H new ATOM 0 HA3 GLY A 59 -17.156 -3.493 -6.187 1.00 1.09 H new ATOM 876 N ASN A 60 -14.573 -4.737 -4.512 1.00 1.34 N ATOM 877 CA ASN A 60 -14.075 -5.992 -3.866 1.00 1.45 C ATOM 878 C ASN A 60 -13.350 -5.631 -2.575 1.00 1.34 C ATOM 879 O ASN A 60 -13.941 -5.526 -1.520 1.00 2.36 O ATOM 880 CB ASN A 60 -13.098 -6.697 -4.813 1.00 1.50 C ATOM 881 CG ASN A 60 -13.867 -7.288 -5.996 1.00 1.94 C ATOM 882 OD1 ASN A 60 -15.073 -7.165 -6.075 1.00 2.83 O ATOM 883 ND2 ASN A 60 -13.215 -7.929 -6.928 1.00 1.59 N ATOM 0 H ASN A 60 -13.886 -3.985 -4.575 1.00 1.34 H new ATOM 0 HA ASN A 60 -14.914 -6.653 -3.648 1.00 1.45 H new ATOM 0 HB2 ASN A 60 -12.348 -5.991 -5.170 1.00 1.50 H new ATOM 0 HB3 ASN A 60 -12.566 -7.486 -4.282 1.00 1.50 H new ATOM 0 HD21 ASN A 60 -13.718 -8.326 -7.721 1.00 1.59 H new ATOM 0 HD22 ASN A 60 -12.202 -8.033 -6.863 1.00 1.59 H new ATOM 890 N GLY A 61 -12.073 -5.439 -2.666 1.00 0.32 N ATOM 891 CA GLY A 61 -11.270 -5.074 -1.452 1.00 0.25 C ATOM 892 C GLY A 61 -9.858 -5.693 -1.522 1.00 0.20 C ATOM 893 O GLY A 61 -9.430 -6.345 -0.589 1.00 0.31 O ATOM 0 H GLY A 61 -11.536 -5.517 -3.530 1.00 0.32 H new ATOM 0 HA2 GLY A 61 -11.193 -3.990 -1.374 1.00 0.25 H new ATOM 0 HA3 GLY A 61 -11.781 -5.423 -0.554 1.00 0.25 H new ATOM 897 N THR A 62 -9.121 -5.502 -2.602 1.00 0.14 N ATOM 898 CA THR A 62 -7.747 -6.086 -2.692 1.00 0.21 C ATOM 899 C THR A 62 -6.813 -5.068 -3.360 1.00 0.20 C ATOM 900 O THR A 62 -7.261 -4.148 -4.015 1.00 0.20 O ATOM 901 CB THR A 62 -7.797 -7.359 -3.536 1.00 0.25 C ATOM 902 OG1 THR A 62 -8.252 -7.043 -4.843 1.00 0.30 O ATOM 903 CG2 THR A 62 -8.748 -8.365 -2.888 1.00 0.39 C ATOM 0 H THR A 62 -9.417 -4.967 -3.419 1.00 0.14 H new ATOM 0 HA THR A 62 -7.378 -6.324 -1.694 1.00 0.21 H new ATOM 0 HB THR A 62 -6.800 -7.795 -3.597 1.00 0.25 H new ATOM 0 HG1 THR A 62 -8.282 -7.859 -5.385 1.00 0.30 H new ATOM 0 HG21 THR A 62 -8.783 -9.273 -3.491 1.00 0.39 H new ATOM 0 HG22 THR A 62 -8.393 -8.608 -1.886 1.00 0.39 H new ATOM 0 HG23 THR A 62 -9.747 -7.933 -2.824 1.00 0.39 H new ATOM 911 N ILE A 63 -5.520 -5.221 -3.196 1.00 0.19 N ATOM 912 CA ILE A 63 -4.557 -4.259 -3.819 1.00 0.18 C ATOM 913 C ILE A 63 -3.346 -5.031 -4.355 1.00 0.18 C ATOM 914 O ILE A 63 -2.823 -5.910 -3.700 1.00 0.18 O ATOM 915 CB ILE A 63 -4.096 -3.256 -2.750 1.00 0.16 C ATOM 916 CG1 ILE A 63 -5.285 -2.922 -1.836 1.00 0.17 C ATOM 917 CG2 ILE A 63 -3.561 -1.973 -3.411 1.00 0.14 C ATOM 918 CD1 ILE A 63 -4.909 -1.808 -0.861 1.00 0.16 C ATOM 0 H ILE A 63 -5.090 -5.972 -2.656 1.00 0.19 H new ATOM 0 HA ILE A 63 -5.038 -3.727 -4.640 1.00 0.18 H new ATOM 0 HB ILE A 63 -3.291 -3.697 -2.162 1.00 0.16 H new ATOM 0 HG12 ILE A 63 -6.140 -2.614 -2.438 1.00 0.17 H new ATOM 0 HG13 ILE A 63 -5.588 -3.811 -1.283 1.00 0.17 H new ATOM 0 HG21 ILE A 63 -3.239 -1.273 -2.640 1.00 0.14 H new ATOM 0 HG22 ILE A 63 -2.715 -2.220 -4.053 1.00 0.14 H new ATOM 0 HG23 ILE A 63 -4.349 -1.516 -4.009 1.00 0.14 H new ATOM 0 HD11 ILE A 63 -5.761 -1.582 -0.220 1.00 0.16 H new ATOM 0 HD12 ILE A 63 -4.068 -2.131 -0.247 1.00 0.16 H new ATOM 0 HD13 ILE A 63 -4.629 -0.915 -1.420 1.00 0.16 H new ATOM 930 N ASP A 64 -2.894 -4.701 -5.538 1.00 0.18 N ATOM 931 CA ASP A 64 -1.706 -5.396 -6.129 1.00 0.18 C ATOM 932 C ASP A 64 -0.473 -4.480 -5.974 1.00 0.18 C ATOM 933 O ASP A 64 -0.600 -3.319 -5.646 1.00 0.17 O ATOM 934 CB ASP A 64 -1.993 -5.708 -7.608 1.00 0.19 C ATOM 935 CG ASP A 64 -2.151 -4.409 -8.405 1.00 0.18 C ATOM 936 OD1 ASP A 64 -1.856 -3.358 -7.864 1.00 0.19 O ATOM 937 OD2 ASP A 64 -2.565 -4.491 -9.551 1.00 0.17 O ATOM 0 H ASP A 64 -3.300 -3.973 -6.126 1.00 0.18 H new ATOM 0 HA ASP A 64 -1.507 -6.337 -5.616 1.00 0.18 H new ATOM 0 HB2 ASP A 64 -1.180 -6.302 -8.026 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -2.900 -6.306 -7.691 1.00 0.19 H new ATOM 942 N PHE A 65 0.718 -4.995 -6.171 1.00 0.18 N ATOM 943 CA PHE A 65 1.946 -4.145 -5.989 1.00 0.18 C ATOM 944 C PHE A 65 1.977 -2.917 -6.934 1.00 0.16 C ATOM 945 O PHE A 65 2.295 -1.841 -6.466 1.00 0.16 O ATOM 946 CB PHE A 65 3.223 -5.000 -6.140 1.00 0.19 C ATOM 947 CG PHE A 65 4.443 -4.211 -5.693 1.00 0.20 C ATOM 948 CD1 PHE A 65 4.560 -3.779 -4.361 1.00 0.43 C ATOM 949 CD2 PHE A 65 5.464 -3.916 -6.611 1.00 0.76 C ATOM 950 CE1 PHE A 65 5.690 -3.056 -3.958 1.00 0.42 C ATOM 951 CE2 PHE A 65 6.590 -3.195 -6.203 1.00 0.76 C ATOM 952 CZ PHE A 65 6.704 -2.764 -4.878 1.00 0.21 C ATOM 0 H PHE A 65 0.896 -5.960 -6.448 1.00 0.18 H new ATOM 0 HA PHE A 65 1.908 -3.746 -4.975 1.00 0.18 H new ATOM 0 HB2 PHE A 65 3.132 -5.909 -5.546 1.00 0.19 H new ATOM 0 HB3 PHE A 65 3.342 -5.308 -7.179 1.00 0.19 H new ATOM 0 HD1 PHE A 65 3.780 -4.004 -3.649 1.00 0.43 H new ATOM 0 HD2 PHE A 65 5.379 -4.247 -7.635 1.00 0.76 H new ATOM 0 HE1 PHE A 65 5.779 -2.723 -2.935 1.00 0.42 H new ATOM 0 HE2 PHE A 65 7.373 -2.971 -6.912 1.00 0.76 H new ATOM 0 HZ PHE A 65 7.574 -2.206 -4.564 1.00 0.21 H new ATOM 962 N PRO A 66 1.657 -3.045 -8.217 1.00 0.16 N ATOM 963 CA PRO A 66 1.682 -1.861 -9.098 1.00 0.14 C ATOM 964 C PRO A 66 0.827 -0.743 -8.481 1.00 0.13 C ATOM 965 O PRO A 66 1.270 0.380 -8.339 1.00 0.13 O ATOM 966 CB PRO A 66 1.107 -2.347 -10.450 1.00 0.13 C ATOM 967 CG PRO A 66 0.861 -3.877 -10.326 1.00 0.13 C ATOM 968 CD PRO A 66 1.254 -4.301 -8.890 1.00 0.16 C ATOM 0 HA PRO A 66 2.683 -1.449 -9.230 1.00 0.14 H new ATOM 0 HB2 PRO A 66 0.178 -1.826 -10.682 1.00 0.13 H new ATOM 0 HB3 PRO A 66 1.803 -2.134 -11.262 1.00 0.13 H new ATOM 0 HG2 PRO A 66 -0.185 -4.114 -10.522 1.00 0.13 H new ATOM 0 HG3 PRO A 66 1.454 -4.421 -11.061 1.00 0.13 H new ATOM 0 HD2 PRO A 66 0.418 -4.774 -8.375 1.00 0.16 H new ATOM 0 HD3 PRO A 66 2.071 -5.023 -8.901 1.00 0.16 H new ATOM 976 N GLU A 67 -0.389 -1.041 -8.109 1.00 0.13 N ATOM 977 CA GLU A 67 -1.255 0.006 -7.501 1.00 0.13 C ATOM 978 C GLU A 67 -0.647 0.453 -6.172 1.00 0.14 C ATOM 979 O GLU A 67 -0.767 1.596 -5.780 1.00 0.14 O ATOM 980 CB GLU A 67 -2.663 -0.552 -7.262 1.00 0.13 C ATOM 981 CG GLU A 67 -3.330 -0.844 -8.607 1.00 0.10 C ATOM 982 CD GLU A 67 -4.614 -1.645 -8.377 1.00 0.09 C ATOM 983 OE1 GLU A 67 -4.636 -2.437 -7.449 1.00 0.20 O ATOM 984 OE2 GLU A 67 -5.551 -1.452 -9.132 1.00 0.22 O ATOM 0 H GLU A 67 -0.818 -1.962 -8.200 1.00 0.13 H new ATOM 0 HA GLU A 67 -1.322 0.857 -8.179 1.00 0.13 H new ATOM 0 HB2 GLU A 67 -2.609 -1.463 -6.666 1.00 0.13 H new ATOM 0 HB3 GLU A 67 -3.259 0.164 -6.696 1.00 0.13 H new ATOM 0 HG2 GLU A 67 -3.558 0.089 -9.122 1.00 0.10 H new ATOM 0 HG3 GLU A 67 -2.649 -1.404 -9.249 1.00 0.10 H new ATOM 991 N PHE A 68 0.021 -0.431 -5.478 1.00 0.16 N ATOM 992 CA PHE A 68 0.639 -0.025 -4.188 1.00 0.17 C ATOM 993 C PHE A 68 1.711 1.023 -4.482 1.00 0.17 C ATOM 994 O PHE A 68 1.891 1.966 -3.739 1.00 0.18 O ATOM 995 CB PHE A 68 1.265 -1.232 -3.479 1.00 0.16 C ATOM 996 CG PHE A 68 1.665 -0.831 -2.080 1.00 0.14 C ATOM 997 CD1 PHE A 68 0.706 -0.802 -1.060 1.00 0.12 C ATOM 998 CD2 PHE A 68 2.991 -0.479 -1.804 1.00 0.14 C ATOM 999 CE1 PHE A 68 1.073 -0.420 0.238 1.00 0.10 C ATOM 1000 CE2 PHE A 68 3.356 -0.096 -0.507 1.00 0.13 C ATOM 1001 CZ PHE A 68 2.399 -0.068 0.513 1.00 0.10 C ATOM 0 H PHE A 68 0.163 -1.405 -5.747 1.00 0.16 H new ATOM 0 HA PHE A 68 -0.126 0.387 -3.530 1.00 0.17 H new ATOM 0 HB2 PHE A 68 0.554 -2.058 -3.445 1.00 0.16 H new ATOM 0 HB3 PHE A 68 2.136 -1.583 -4.033 1.00 0.16 H new ATOM 0 HD1 PHE A 68 -0.317 -1.074 -1.273 1.00 0.12 H new ATOM 0 HD2 PHE A 68 3.732 -0.503 -2.590 1.00 0.14 H new ATOM 0 HE1 PHE A 68 0.333 -0.397 1.025 1.00 0.10 H new ATOM 0 HE2 PHE A 68 4.379 0.178 -0.294 1.00 0.13 H new ATOM 0 HZ PHE A 68 2.684 0.225 1.513 1.00 0.10 H new ATOM 1011 N LEU A 69 2.411 0.876 -5.578 1.00 0.18 N ATOM 1012 CA LEU A 69 3.455 1.879 -5.931 1.00 0.19 C ATOM 1013 C LEU A 69 2.773 3.208 -6.263 1.00 0.18 C ATOM 1014 O LEU A 69 3.357 4.267 -6.135 1.00 0.19 O ATOM 1015 CB LEU A 69 4.242 1.397 -7.156 1.00 0.17 C ATOM 1016 CG LEU A 69 5.196 0.258 -6.768 1.00 0.25 C ATOM 1017 CD1 LEU A 69 5.829 -0.318 -8.041 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.303 0.775 -5.824 1.00 0.48 C ATOM 0 H LEU A 69 2.304 0.107 -6.240 1.00 0.18 H new ATOM 0 HA LEU A 69 4.138 2.007 -5.091 1.00 0.19 H new ATOM 0 HB2 LEU A 69 3.552 1.055 -7.927 1.00 0.17 H new ATOM 0 HB3 LEU A 69 4.809 2.226 -7.581 1.00 0.17 H new ATOM 0 HG LEU A 69 4.634 -0.517 -6.247 1.00 0.25 H new ATOM 0 HD11 LEU A 69 6.508 -1.128 -7.775 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.046 -0.701 -8.695 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.383 0.465 -8.558 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.969 -0.046 -5.560 1.00 0.48 H new ATOM 0 HD22 LEU A 69 6.873 1.557 -6.325 1.00 0.48 H new ATOM 0 HD23 LEU A 69 5.850 1.180 -4.919 1.00 0.48 H new ATOM 1030 N THR A 70 1.540 3.161 -6.686 1.00 0.16 N ATOM 1031 CA THR A 70 0.817 4.416 -7.025 1.00 0.15 C ATOM 1032 C THR A 70 0.412 5.125 -5.731 1.00 0.18 C ATOM 1033 O THR A 70 0.221 6.324 -5.700 1.00 0.11 O ATOM 1034 CB THR A 70 -0.429 4.079 -7.856 1.00 0.15 C ATOM 1035 OG1 THR A 70 -0.025 3.491 -9.085 1.00 0.17 O ATOM 1036 CG2 THR A 70 -1.229 5.352 -8.140 1.00 0.15 C ATOM 0 H THR A 70 1.001 2.304 -6.811 1.00 0.16 H new ATOM 0 HA THR A 70 1.463 5.073 -7.608 1.00 0.15 H new ATOM 0 HB THR A 70 -1.055 3.382 -7.299 1.00 0.15 H new ATOM 0 HG1 THR A 70 -0.817 3.272 -9.619 1.00 0.17 H new ATOM 0 HG21 THR A 70 -2.111 5.103 -8.730 1.00 0.15 H new ATOM 0 HG22 THR A 70 -1.538 5.805 -7.198 1.00 0.15 H new ATOM 0 HG23 THR A 70 -0.608 6.056 -8.694 1.00 0.15 H new ATOM 1044 N MET A 71 0.294 4.392 -4.659 1.00 0.32 N ATOM 1045 CA MET A 71 -0.082 5.030 -3.360 1.00 0.36 C ATOM 1046 C MET A 71 1.143 5.748 -2.785 1.00 0.31 C ATOM 1047 O MET A 71 1.067 6.881 -2.353 1.00 0.27 O ATOM 1048 CB MET A 71 -0.563 3.966 -2.354 1.00 0.53 C ATOM 1049 CG MET A 71 -1.901 3.329 -2.817 1.00 0.52 C ATOM 1050 SD MET A 71 -3.108 3.369 -1.461 1.00 0.63 S ATOM 1051 CE MET A 71 -3.819 1.720 -1.708 1.00 0.40 C ATOM 0 H MET A 71 0.440 3.383 -4.623 1.00 0.32 H new ATOM 0 HA MET A 71 -0.891 5.740 -3.534 1.00 0.36 H new ATOM 0 HB2 MET A 71 0.196 3.191 -2.248 1.00 0.53 H new ATOM 0 HB3 MET A 71 -0.693 4.421 -1.372 1.00 0.53 H new ATOM 0 HG2 MET A 71 -2.292 3.870 -3.679 1.00 0.52 H new ATOM 0 HG3 MET A 71 -1.733 2.300 -3.135 1.00 0.52 H new ATOM 0 HE1 MET A 71 -4.804 1.675 -1.244 1.00 0.40 H new ATOM 0 HE2 MET A 71 -3.911 1.520 -2.775 1.00 0.40 H new ATOM 0 HE3 MET A 71 -3.170 0.972 -1.253 1.00 0.40 H new ATOM 1061 N MET A 72 2.272 5.091 -2.779 1.00 0.33 N ATOM 1062 CA MET A 72 3.503 5.726 -2.237 1.00 0.31 C ATOM 1063 C MET A 72 3.914 6.891 -3.137 1.00 0.25 C ATOM 1064 O MET A 72 4.438 7.886 -2.676 1.00 0.27 O ATOM 1065 CB MET A 72 4.641 4.699 -2.188 1.00 0.36 C ATOM 1066 CG MET A 72 4.165 3.411 -1.503 1.00 0.36 C ATOM 1067 SD MET A 72 3.482 3.802 0.128 1.00 0.56 S ATOM 1068 CE MET A 72 5.015 4.388 0.892 1.00 0.51 C ATOM 0 H MET A 72 2.393 4.140 -3.127 1.00 0.33 H new ATOM 0 HA MET A 72 3.303 6.092 -1.230 1.00 0.31 H new ATOM 0 HB2 MET A 72 4.983 4.477 -3.199 1.00 0.36 H new ATOM 0 HB3 MET A 72 5.492 5.114 -1.647 1.00 0.36 H new ATOM 0 HG2 MET A 72 3.409 2.920 -2.116 1.00 0.36 H new ATOM 0 HG3 MET A 72 4.996 2.713 -1.402 1.00 0.36 H new ATOM 0 HE1 MET A 72 4.982 4.200 1.965 1.00 0.51 H new ATOM 0 HE2 MET A 72 5.863 3.860 0.457 1.00 0.51 H new ATOM 0 HE3 MET A 72 5.124 5.458 0.714 1.00 0.51 H new ATOM 1078 N ALA A 73 3.689 6.783 -4.419 1.00 0.18 N ATOM 1079 CA ALA A 73 4.077 7.893 -5.328 1.00 0.13 C ATOM 1080 C ALA A 73 3.176 9.104 -5.070 1.00 0.12 C ATOM 1081 O ALA A 73 3.597 10.237 -5.199 1.00 0.12 O ATOM 1082 CB ALA A 73 3.942 7.440 -6.785 1.00 0.10 C ATOM 0 H ALA A 73 3.256 5.978 -4.871 1.00 0.18 H new ATOM 0 HA ALA A 73 5.114 8.171 -5.139 1.00 0.13 H new ATOM 0 HB1 ALA A 73 4.227 8.257 -7.448 1.00 0.10 H new ATOM 0 HB2 ALA A 73 4.594 6.584 -6.962 1.00 0.10 H new ATOM 0 HB3 ALA A 73 2.909 7.156 -6.983 1.00 0.10 H new ATOM 1088 N ARG A 74 1.944 8.879 -4.695 1.00 0.14 N ATOM 1089 CA ARG A 74 1.035 10.023 -4.422 1.00 0.14 C ATOM 1090 C ARG A 74 1.573 10.802 -3.222 1.00 0.20 C ATOM 1091 O ARG A 74 1.468 12.010 -3.150 1.00 0.23 O ATOM 1092 CB ARG A 74 -0.378 9.490 -4.114 1.00 0.27 C ATOM 1093 CG ARG A 74 -1.179 9.292 -5.422 1.00 0.15 C ATOM 1094 CD ARG A 74 -2.011 10.543 -5.733 1.00 0.22 C ATOM 1095 NE ARG A 74 -2.811 10.312 -6.968 1.00 1.49 N ATOM 1096 CZ ARG A 74 -3.809 11.104 -7.255 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -4.108 12.094 -6.460 1.00 1.27 N ATOM 1098 NH2 ARG A 74 -4.509 10.904 -8.338 1.00 2.74 N ATOM 0 H ARG A 74 1.532 7.955 -4.567 1.00 0.14 H new ATOM 0 HA ARG A 74 0.984 10.680 -5.291 1.00 0.14 H new ATOM 0 HB2 ARG A 74 -0.307 8.544 -3.577 1.00 0.27 H new ATOM 0 HB3 ARG A 74 -0.902 10.188 -3.462 1.00 0.27 H new ATOM 0 HG2 ARG A 74 -0.496 9.087 -6.247 1.00 0.15 H new ATOM 0 HG3 ARG A 74 -1.834 8.426 -5.328 1.00 0.15 H new ATOM 0 HD2 ARG A 74 -2.671 10.771 -4.896 1.00 0.22 H new ATOM 0 HD3 ARG A 74 -1.356 11.404 -5.866 1.00 0.22 H new ATOM 0 HE ARG A 74 -2.580 9.536 -7.589 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -3.562 12.251 -5.613 1.00 1.27 H new ATOM 0 HH12 ARG A 74 -4.888 12.712 -6.686 1.00 1.27 H new ATOM 0 HH21 ARG A 74 -4.277 10.129 -8.960 1.00 2.74 H new ATOM 0 HH22 ARG A 74 -5.289 11.522 -8.563 1.00 2.74 H new ATOM 1112 N LYS A 75 2.151 10.112 -2.283 1.00 0.25 N ATOM 1113 CA LYS A 75 2.702 10.798 -1.085 1.00 0.36 C ATOM 1114 C LYS A 75 4.034 11.447 -1.441 1.00 0.38 C ATOM 1115 O LYS A 75 4.252 12.621 -1.218 1.00 0.47 O ATOM 1116 CB LYS A 75 2.913 9.775 0.036 1.00 0.44 C ATOM 1117 CG LYS A 75 1.556 9.296 0.583 1.00 0.42 C ATOM 1118 CD LYS A 75 1.045 10.253 1.667 1.00 0.96 C ATOM 1119 CE LYS A 75 -0.316 9.766 2.174 1.00 1.15 C ATOM 1120 NZ LYS A 75 -0.825 10.702 3.214 1.00 1.94 N ATOM 0 H LYS A 75 2.266 9.099 -2.293 1.00 0.25 H new ATOM 0 HA LYS A 75 2.003 11.564 -0.749 1.00 0.36 H new ATOM 0 HB2 LYS A 75 3.482 8.925 -0.340 1.00 0.44 H new ATOM 0 HB3 LYS A 75 3.500 10.221 0.839 1.00 0.44 H new ATOM 0 HG2 LYS A 75 0.831 9.236 -0.229 1.00 0.42 H new ATOM 0 HG3 LYS A 75 1.657 8.292 0.995 1.00 0.42 H new ATOM 0 HD2 LYS A 75 1.757 10.300 2.491 1.00 0.96 H new ATOM 0 HD3 LYS A 75 0.956 11.262 1.264 1.00 0.96 H new ATOM 0 HE2 LYS A 75 -1.023 9.706 1.347 1.00 1.15 H new ATOM 0 HE3 LYS A 75 -0.223 8.762 2.588 1.00 1.15 H new ATOM 0 HZ1 LYS A 75 -1.749 10.370 3.557 1.00 1.94 H new ATOM 0 HZ2 LYS A 75 -0.153 10.738 4.007 1.00 1.94 H new ATOM 0 HZ3 LYS A 75 -0.929 11.652 2.805 1.00 1.94 H new ATOM 1134 N MET A 76 4.955 10.684 -1.936 1.00 0.36 N ATOM 1135 CA MET A 76 6.323 11.234 -2.248 1.00 0.41 C ATOM 1136 C MET A 76 6.245 12.429 -3.226 1.00 0.44 C ATOM 1137 O MET A 76 6.119 12.271 -4.422 1.00 1.14 O ATOM 1138 CB MET A 76 7.197 10.086 -2.820 1.00 0.41 C ATOM 1139 CG MET A 76 7.043 8.811 -1.961 1.00 0.36 C ATOM 1140 SD MET A 76 8.642 8.383 -1.223 1.00 0.98 S ATOM 1141 CE MET A 76 9.361 7.595 -2.683 1.00 1.37 C ATOM 0 H MET A 76 4.833 9.693 -2.145 1.00 0.36 H new ATOM 0 HA MET A 76 6.778 11.616 -1.334 1.00 0.41 H new ATOM 0 HB2 MET A 76 6.905 9.876 -3.849 1.00 0.41 H new ATOM 0 HB3 MET A 76 8.243 10.393 -2.842 1.00 0.41 H new ATOM 0 HG2 MET A 76 6.301 8.974 -1.179 1.00 0.36 H new ATOM 0 HG3 MET A 76 6.682 7.987 -2.576 1.00 0.36 H new ATOM 0 HE1 MET A 76 10.368 7.248 -2.451 1.00 1.37 H new ATOM 0 HE2 MET A 76 8.744 6.746 -2.979 1.00 1.37 H new ATOM 0 HE3 MET A 76 9.405 8.315 -3.500 1.00 1.37 H new ATOM 1151 N LYS A 77 6.324 13.634 -2.687 1.00 1.22 N ATOM 1152 CA LYS A 77 6.270 14.892 -3.506 1.00 1.26 C ATOM 1153 C LYS A 77 6.995 16.007 -2.731 1.00 1.64 C ATOM 1154 O LYS A 77 8.205 16.123 -2.764 1.00 1.74 O ATOM 1155 CB LYS A 77 4.804 15.264 -3.732 1.00 1.53 C ATOM 1156 CG LYS A 77 4.164 14.227 -4.650 1.00 0.65 C ATOM 1157 CD LYS A 77 2.808 14.739 -5.152 1.00 0.90 C ATOM 1158 CE LYS A 77 3.003 15.569 -6.425 1.00 1.89 C ATOM 1159 NZ LYS A 77 1.789 16.400 -6.665 1.00 2.52 N ATOM 0 H LYS A 77 6.426 13.796 -1.685 1.00 1.22 H new ATOM 0 HA LYS A 77 6.755 14.752 -4.472 1.00 1.26 H new ATOM 0 HB2 LYS A 77 4.274 15.302 -2.780 1.00 1.53 H new ATOM 0 HB3 LYS A 77 4.732 16.256 -4.177 1.00 1.53 H new ATOM 0 HG2 LYS A 77 4.821 14.023 -5.496 1.00 0.65 H new ATOM 0 HG3 LYS A 77 4.032 13.287 -4.114 1.00 0.65 H new ATOM 0 HD2 LYS A 77 2.144 13.898 -5.354 1.00 0.90 H new ATOM 0 HD3 LYS A 77 2.330 15.345 -4.382 1.00 0.90 H new ATOM 0 HE2 LYS A 77 3.881 16.208 -6.325 1.00 1.89 H new ATOM 0 HE3 LYS A 77 3.182 14.913 -7.277 1.00 1.89 H new ATOM 0 HZ1 LYS A 77 1.920 16.964 -7.529 1.00 2.52 H new ATOM 0 HZ2 LYS A 77 0.961 15.781 -6.778 1.00 2.52 H new ATOM 0 HZ3 LYS A 77 1.638 17.036 -5.856 1.00 2.52 H new ATOM 1173 N ASP A 78 6.255 16.750 -1.969 1.00 1.10 N ATOM 1174 CA ASP A 78 6.840 17.792 -1.077 1.00 1.07 C ATOM 1175 C ASP A 78 8.110 17.282 -0.396 1.00 0.91 C ATOM 1176 O ASP A 78 8.828 18.029 0.237 1.00 1.06 O ATOM 1177 CB ASP A 78 5.816 18.199 -0.017 1.00 1.28 C ATOM 1178 CG ASP A 78 6.436 19.227 0.927 1.00 1.30 C ATOM 1179 OD1 ASP A 78 6.532 20.380 0.538 1.00 1.75 O ATOM 1180 OD2 ASP A 78 6.805 18.846 2.027 1.00 1.67 O ATOM 0 H ASP A 78 5.238 16.680 -1.922 1.00 1.10 H new ATOM 0 HA ASP A 78 7.101 18.657 -1.687 1.00 1.07 H new ATOM 0 HB2 ASP A 78 4.930 18.617 -0.495 1.00 1.28 H new ATOM 0 HB3 ASP A 78 5.492 17.323 0.545 1.00 1.28 H new ATOM 1185 N THR A 79 8.387 16.020 -0.528 1.00 0.69 N ATOM 1186 CA THR A 79 9.619 15.425 0.100 1.00 0.53 C ATOM 1187 C THR A 79 10.482 14.783 -0.988 1.00 0.48 C ATOM 1188 O THR A 79 11.000 13.694 -0.831 1.00 0.40 O ATOM 1189 CB THR A 79 9.192 14.354 1.108 1.00 0.48 C ATOM 1190 OG1 THR A 79 10.342 13.859 1.781 1.00 0.35 O ATOM 1191 CG2 THR A 79 8.488 13.202 0.377 1.00 0.52 C ATOM 0 H THR A 79 7.812 15.358 -1.049 1.00 0.69 H new ATOM 0 HA THR A 79 10.192 16.203 0.605 1.00 0.53 H new ATOM 0 HB THR A 79 8.503 14.791 1.831 1.00 0.48 H new ATOM 0 HG1 THR A 79 10.991 13.532 1.123 1.00 0.35 H new ATOM 0 HG21 THR A 79 8.187 12.443 1.099 1.00 0.52 H new ATOM 0 HG22 THR A 79 7.606 13.583 -0.138 1.00 0.52 H new ATOM 0 HG23 THR A 79 9.171 12.761 -0.349 1.00 0.52 H new ATOM 1199 N ASP A 80 10.649 15.459 -2.082 1.00 0.56 N ATOM 1200 CA ASP A 80 11.480 14.912 -3.189 1.00 0.54 C ATOM 1201 C ASP A 80 12.817 14.437 -2.636 1.00 0.44 C ATOM 1202 O ASP A 80 13.188 14.733 -1.517 1.00 0.41 O ATOM 1203 CB ASP A 80 11.707 16.011 -4.234 1.00 0.59 C ATOM 1204 CG ASP A 80 12.120 15.388 -5.573 1.00 0.73 C ATOM 1205 OD1 ASP A 80 12.192 14.174 -5.646 1.00 1.45 O ATOM 1206 OD2 ASP A 80 12.356 16.143 -6.502 1.00 1.69 O ATOM 0 H ASP A 80 10.243 16.377 -2.262 1.00 0.56 H new ATOM 0 HA ASP A 80 10.969 14.069 -3.654 1.00 0.54 H new ATOM 0 HB2 ASP A 80 10.796 16.596 -4.362 1.00 0.59 H new ATOM 0 HB3 ASP A 80 12.481 16.697 -3.889 1.00 0.59 H new ATOM 1211 N SER A 81 13.551 13.722 -3.432 1.00 0.44 N ATOM 1212 CA SER A 81 14.881 13.237 -2.995 1.00 0.42 C ATOM 1213 C SER A 81 15.840 14.380 -3.246 1.00 0.45 C ATOM 1214 O SER A 81 16.916 14.471 -2.692 1.00 0.50 O ATOM 1215 CB SER A 81 15.268 12.019 -3.832 1.00 0.48 C ATOM 1216 OG SER A 81 16.675 12.010 -4.032 1.00 0.92 O ATOM 0 H SER A 81 13.283 13.450 -4.378 1.00 0.44 H new ATOM 0 HA SER A 81 14.892 12.940 -1.946 1.00 0.42 H new ATOM 0 HB2 SER A 81 14.956 11.104 -3.329 1.00 0.48 H new ATOM 0 HB3 SER A 81 14.753 12.046 -4.793 1.00 0.48 H new ATOM 0 HG SER A 81 16.924 11.228 -4.568 1.00 0.92 H new ATOM 1222 N GLU A 82 15.406 15.256 -4.090 1.00 0.45 N ATOM 1223 CA GLU A 82 16.209 16.450 -4.445 1.00 0.51 C ATOM 1224 C GLU A 82 16.364 17.348 -3.210 1.00 0.57 C ATOM 1225 O GLU A 82 17.437 17.838 -2.915 1.00 0.58 O ATOM 1226 CB GLU A 82 15.463 17.196 -5.561 1.00 0.51 C ATOM 1227 CG GLU A 82 15.889 16.653 -6.932 1.00 1.13 C ATOM 1228 CD GLU A 82 15.064 17.332 -8.028 1.00 1.16 C ATOM 1229 OE1 GLU A 82 14.343 18.263 -7.710 1.00 0.55 O ATOM 1230 OE2 GLU A 82 15.172 16.910 -9.168 1.00 2.29 O ATOM 0 H GLU A 82 14.504 15.196 -4.563 1.00 0.45 H new ATOM 0 HA GLU A 82 17.204 16.165 -4.786 1.00 0.51 H new ATOM 0 HB2 GLU A 82 14.387 17.078 -5.432 1.00 0.51 H new ATOM 0 HB3 GLU A 82 15.676 18.263 -5.501 1.00 0.51 H new ATOM 0 HG2 GLU A 82 16.951 16.837 -7.094 1.00 1.13 H new ATOM 0 HG3 GLU A 82 15.744 15.573 -6.969 1.00 1.13 H new ATOM 1237 N GLU A 83 15.303 17.560 -2.493 1.00 0.65 N ATOM 1238 CA GLU A 83 15.374 18.421 -1.276 1.00 0.74 C ATOM 1239 C GLU A 83 16.216 17.727 -0.207 1.00 0.67 C ATOM 1240 O GLU A 83 16.713 18.351 0.710 1.00 0.69 O ATOM 1241 CB GLU A 83 13.954 18.676 -0.738 1.00 0.87 C ATOM 1242 CG GLU A 83 13.299 19.827 -1.509 1.00 1.49 C ATOM 1243 CD GLU A 83 13.976 21.145 -1.125 1.00 3.00 C ATOM 1244 OE1 GLU A 83 13.918 21.503 0.039 1.00 3.19 O ATOM 1245 OE2 GLU A 83 14.546 21.773 -2.004 1.00 4.30 O ATOM 0 H GLU A 83 14.381 17.174 -2.695 1.00 0.65 H new ATOM 0 HA GLU A 83 15.835 19.375 -1.534 1.00 0.74 H new ATOM 0 HB2 GLU A 83 13.352 17.773 -0.836 1.00 0.87 H new ATOM 0 HB3 GLU A 83 13.997 18.917 0.324 1.00 0.87 H new ATOM 0 HG2 GLU A 83 13.389 19.658 -2.582 1.00 1.49 H new ATOM 0 HG3 GLU A 83 12.234 19.872 -1.281 1.00 1.49 H new ATOM 1252 N GLU A 84 16.381 16.442 -0.315 1.00 0.59 N ATOM 1253 CA GLU A 84 17.188 15.706 0.695 1.00 0.54 C ATOM 1254 C GLU A 84 18.673 15.940 0.425 1.00 0.45 C ATOM 1255 O GLU A 84 19.461 16.130 1.332 1.00 0.41 O ATOM 1256 CB GLU A 84 16.880 14.208 0.616 1.00 0.55 C ATOM 1257 CG GLU A 84 15.510 13.931 1.239 1.00 0.53 C ATOM 1258 CD GLU A 84 15.063 12.514 0.878 1.00 1.44 C ATOM 1259 OE1 GLU A 84 15.918 11.646 0.797 1.00 1.88 O ATOM 1260 OE2 GLU A 84 13.874 12.317 0.691 1.00 2.40 O ATOM 0 H GLU A 84 15.991 15.866 -1.061 1.00 0.59 H new ATOM 0 HA GLU A 84 16.937 16.069 1.692 1.00 0.54 H new ATOM 0 HB2 GLU A 84 16.891 13.879 -0.423 1.00 0.55 H new ATOM 0 HB3 GLU A 84 17.650 13.640 1.139 1.00 0.55 H new ATOM 0 HG2 GLU A 84 15.562 14.043 2.322 1.00 0.53 H new ATOM 0 HG3 GLU A 84 14.781 14.657 0.878 1.00 0.53 H new ATOM 1267 N ILE A 85 19.058 15.935 -0.816 1.00 0.43 N ATOM 1268 CA ILE A 85 20.493 16.160 -1.153 1.00 0.35 C ATOM 1269 C ILE A 85 20.832 17.650 -0.983 1.00 0.39 C ATOM 1270 O ILE A 85 21.864 17.999 -0.446 1.00 0.34 O ATOM 1271 CB ILE A 85 20.769 15.712 -2.601 1.00 0.29 C ATOM 1272 CG1 ILE A 85 20.874 14.180 -2.653 1.00 0.24 C ATOM 1273 CG2 ILE A 85 22.086 16.334 -3.094 1.00 0.25 C ATOM 1274 CD1 ILE A 85 21.024 13.719 -4.105 1.00 0.19 C ATOM 0 H ILE A 85 18.443 15.785 -1.616 1.00 0.43 H new ATOM 0 HA ILE A 85 21.119 15.573 -0.481 1.00 0.35 H new ATOM 0 HB ILE A 85 19.952 16.043 -3.242 1.00 0.29 H new ATOM 0 HG12 ILE A 85 21.729 13.845 -2.065 1.00 0.24 H new ATOM 0 HG13 ILE A 85 19.986 13.730 -2.209 1.00 0.24 H new ATOM 0 HG21 ILE A 85 22.278 16.015 -4.118 1.00 0.25 H new ATOM 0 HG22 ILE A 85 22.010 17.421 -3.061 1.00 0.25 H new ATOM 0 HG23 ILE A 85 22.905 16.008 -2.453 1.00 0.25 H new ATOM 0 HD11 ILE A 85 21.098 12.632 -4.136 1.00 0.19 H new ATOM 0 HD12 ILE A 85 20.156 14.040 -4.680 1.00 0.19 H new ATOM 0 HD13 ILE A 85 21.925 14.156 -4.534 1.00 0.19 H new ATOM 1286 N ARG A 86 19.981 18.529 -1.437 1.00 0.47 N ATOM 1287 CA ARG A 86 20.277 19.983 -1.296 1.00 0.51 C ATOM 1288 C ARG A 86 20.351 20.331 0.191 1.00 0.53 C ATOM 1289 O ARG A 86 21.195 21.094 0.619 1.00 0.55 O ATOM 1290 CB ARG A 86 19.162 20.793 -1.972 1.00 0.56 C ATOM 1291 CG ARG A 86 19.664 22.201 -2.293 1.00 1.22 C ATOM 1292 CD ARG A 86 18.477 23.105 -2.642 1.00 1.14 C ATOM 1293 NE ARG A 86 17.538 22.380 -3.563 1.00 0.98 N ATOM 1294 CZ ARG A 86 17.943 21.897 -4.707 1.00 1.92 C ATOM 1295 NH1 ARG A 86 19.128 22.190 -5.166 1.00 2.78 N ATOM 1296 NH2 ARG A 86 17.136 21.159 -5.422 1.00 2.49 N ATOM 0 H ARG A 86 19.098 18.305 -1.897 1.00 0.47 H new ATOM 0 HA ARG A 86 21.229 20.222 -1.771 1.00 0.51 H new ATOM 0 HB2 ARG A 86 18.842 20.294 -2.887 1.00 0.56 H new ATOM 0 HB3 ARG A 86 18.292 20.848 -1.317 1.00 0.56 H new ATOM 0 HG2 ARG A 86 20.205 22.608 -1.439 1.00 1.22 H new ATOM 0 HG3 ARG A 86 20.365 22.166 -3.127 1.00 1.22 H new ATOM 0 HD2 ARG A 86 17.953 23.400 -1.733 1.00 1.14 H new ATOM 0 HD3 ARG A 86 18.832 24.020 -3.116 1.00 1.14 H new ATOM 0 HE ARG A 86 16.563 22.262 -3.289 1.00 0.98 H new ATOM 0 HH11 ARG A 86 19.746 22.800 -4.631 1.00 2.78 H new ATOM 0 HH12 ARG A 86 19.437 21.809 -6.060 1.00 2.78 H new ATOM 0 HH21 ARG A 86 16.193 20.962 -5.086 1.00 2.49 H new ATOM 0 HH22 ARG A 86 17.449 20.780 -6.316 1.00 2.49 H new ATOM 1310 N GLU A 87 19.473 19.778 0.989 1.00 0.52 N ATOM 1311 CA GLU A 87 19.506 20.084 2.445 1.00 0.53 C ATOM 1312 C GLU A 87 20.754 19.451 3.066 1.00 0.43 C ATOM 1313 O GLU A 87 21.228 19.890 4.095 1.00 0.38 O ATOM 1314 CB GLU A 87 18.233 19.555 3.128 1.00 0.62 C ATOM 1315 CG GLU A 87 17.076 20.528 2.884 1.00 0.87 C ATOM 1316 CD GLU A 87 15.804 19.989 3.543 1.00 0.93 C ATOM 1317 OE1 GLU A 87 15.925 19.288 4.534 1.00 0.69 O ATOM 1318 OE2 GLU A 87 14.731 20.288 3.046 1.00 1.95 O ATOM 0 H GLU A 87 18.740 19.132 0.695 1.00 0.52 H new ATOM 0 HA GLU A 87 19.545 21.164 2.589 1.00 0.53 H new ATOM 0 HB2 GLU A 87 17.981 18.569 2.737 1.00 0.62 H new ATOM 0 HB3 GLU A 87 18.404 19.439 4.198 1.00 0.62 H new ATOM 0 HG2 GLU A 87 17.321 21.509 3.291 1.00 0.87 H new ATOM 0 HG3 GLU A 87 16.916 20.658 1.814 1.00 0.87 H new ATOM 1325 N ALA A 88 21.323 18.454 2.437 1.00 0.40 N ATOM 1326 CA ALA A 88 22.567 17.862 2.997 1.00 0.32 C ATOM 1327 C ALA A 88 23.698 18.788 2.598 1.00 0.23 C ATOM 1328 O ALA A 88 24.503 19.197 3.400 1.00 0.18 O ATOM 1329 CB ALA A 88 22.821 16.478 2.406 1.00 0.34 C ATOM 0 H ALA A 88 20.983 18.032 1.573 1.00 0.40 H new ATOM 0 HA ALA A 88 22.487 17.754 4.079 1.00 0.32 H new ATOM 0 HB1 ALA A 88 23.736 16.064 2.830 1.00 0.34 H new ATOM 0 HB2 ALA A 88 21.983 15.822 2.642 1.00 0.34 H new ATOM 0 HB3 ALA A 88 22.926 16.558 1.324 1.00 0.34 H new ATOM 1335 N PHE A 89 23.739 19.158 1.357 1.00 0.25 N ATOM 1336 CA PHE A 89 24.797 20.091 0.920 1.00 0.23 C ATOM 1337 C PHE A 89 24.660 21.362 1.761 1.00 0.24 C ATOM 1338 O PHE A 89 25.606 22.099 1.952 1.00 0.25 O ATOM 1339 CB PHE A 89 24.627 20.404 -0.573 1.00 0.29 C ATOM 1340 CG PHE A 89 25.289 19.324 -1.413 1.00 0.23 C ATOM 1341 CD1 PHE A 89 26.678 19.147 -1.351 1.00 0.27 C ATOM 1342 CD2 PHE A 89 24.519 18.487 -2.249 1.00 0.25 C ATOM 1343 CE1 PHE A 89 27.284 18.154 -2.118 1.00 0.30 C ATOM 1344 CE2 PHE A 89 25.153 17.485 -3.015 1.00 0.20 C ATOM 1345 CZ PHE A 89 26.542 17.334 -2.937 1.00 0.22 C ATOM 0 H PHE A 89 23.089 18.856 0.631 1.00 0.25 H new ATOM 0 HA PHE A 89 25.787 19.656 1.057 1.00 0.23 H new ATOM 0 HB2 PHE A 89 23.567 20.469 -0.820 1.00 0.29 H new ATOM 0 HB3 PHE A 89 25.068 21.374 -0.801 1.00 0.29 H new ATOM 0 HD1 PHE A 89 27.277 19.778 -0.711 1.00 0.27 H new ATOM 0 HD2 PHE A 89 23.448 18.613 -2.302 1.00 0.25 H new ATOM 0 HE1 PHE A 89 28.355 18.026 -2.069 1.00 0.30 H new ATOM 0 HE2 PHE A 89 24.571 16.840 -3.656 1.00 0.20 H new ATOM 0 HZ PHE A 89 27.034 16.571 -3.522 1.00 0.22 H new ATOM 1355 N ARG A 90 23.484 21.609 2.295 1.00 0.25 N ATOM 1356 CA ARG A 90 23.299 22.810 3.154 1.00 0.25 C ATOM 1357 C ARG A 90 24.038 22.562 4.469 1.00 0.15 C ATOM 1358 O ARG A 90 24.763 23.403 4.960 1.00 0.10 O ATOM 1359 CB ARG A 90 21.808 23.030 3.425 1.00 0.35 C ATOM 1360 CG ARG A 90 21.588 24.462 3.935 1.00 0.40 C ATOM 1361 CD ARG A 90 20.105 24.685 4.312 1.00 0.43 C ATOM 1362 NE ARG A 90 19.619 25.982 3.734 1.00 1.00 N ATOM 1363 CZ ARG A 90 20.324 27.080 3.839 1.00 1.70 C ATOM 1364 NH1 ARG A 90 21.424 27.096 4.539 1.00 2.24 N ATOM 1365 NH2 ARG A 90 19.910 28.174 3.260 1.00 2.13 N ATOM 0 H ARG A 90 22.653 21.031 2.170 1.00 0.25 H new ATOM 0 HA ARG A 90 23.693 23.698 2.659 1.00 0.25 H new ATOM 0 HB2 ARG A 90 21.233 22.864 2.514 1.00 0.35 H new ATOM 0 HB3 ARG A 90 21.451 22.311 4.162 1.00 0.35 H new ATOM 0 HG2 ARG A 90 22.221 24.646 4.803 1.00 0.40 H new ATOM 0 HG3 ARG A 90 21.885 25.177 3.167 1.00 0.40 H new ATOM 0 HD2 ARG A 90 19.498 23.860 3.938 1.00 0.43 H new ATOM 0 HD3 ARG A 90 19.994 24.696 5.396 1.00 0.43 H new ATOM 0 HE ARG A 90 18.722 26.008 3.250 1.00 1.00 H new ATOM 0 HH11 ARG A 90 21.741 26.249 5.010 1.00 2.24 H new ATOM 0 HH12 ARG A 90 21.967 27.956 4.616 1.00 2.24 H new ATOM 0 HH21 ARG A 90 19.040 28.172 2.728 1.00 2.13 H new ATOM 0 HH22 ARG A 90 20.457 29.031 3.340 1.00 2.13 H new ATOM 1379 N VAL A 91 23.880 21.391 5.022 1.00 0.17 N ATOM 1380 CA VAL A 91 24.599 21.046 6.284 1.00 0.19 C ATOM 1381 C VAL A 91 26.086 21.315 6.050 1.00 0.17 C ATOM 1382 O VAL A 91 26.880 21.385 6.967 1.00 0.27 O ATOM 1383 CB VAL A 91 24.388 19.535 6.577 1.00 0.28 C ATOM 1384 CG1 VAL A 91 25.603 18.923 7.296 1.00 0.34 C ATOM 1385 CG2 VAL A 91 23.137 19.334 7.445 1.00 0.35 C ATOM 0 H VAL A 91 23.280 20.653 4.653 1.00 0.17 H new ATOM 0 HA VAL A 91 24.230 21.633 7.125 1.00 0.19 H new ATOM 0 HB VAL A 91 24.262 19.031 5.619 1.00 0.28 H new ATOM 0 HG11 VAL A 91 25.419 17.865 7.485 1.00 0.34 H new ATOM 0 HG12 VAL A 91 26.489 19.032 6.670 1.00 0.34 H new ATOM 0 HG13 VAL A 91 25.763 19.438 8.243 1.00 0.34 H new ATOM 0 HG21 VAL A 91 22.999 18.271 7.644 1.00 0.35 H new ATOM 0 HG22 VAL A 91 23.259 19.867 8.388 1.00 0.35 H new ATOM 0 HG23 VAL A 91 22.264 19.721 6.920 1.00 0.35 H new ATOM 1395 N PHE A 92 26.462 21.392 4.810 1.00 0.09 N ATOM 1396 CA PHE A 92 27.892 21.566 4.449 1.00 0.17 C ATOM 1397 C PHE A 92 28.231 23.021 4.112 1.00 0.27 C ATOM 1398 O PHE A 92 29.378 23.387 3.968 1.00 0.33 O ATOM 1399 CB PHE A 92 28.131 20.624 3.263 1.00 0.10 C ATOM 1400 CG PHE A 92 28.585 19.296 3.792 1.00 0.15 C ATOM 1401 CD1 PHE A 92 29.943 19.096 3.967 1.00 0.23 C ATOM 1402 CD2 PHE A 92 27.661 18.281 4.118 1.00 0.22 C ATOM 1403 CE1 PHE A 92 30.405 17.874 4.469 1.00 0.33 C ATOM 1404 CE2 PHE A 92 28.120 17.069 4.623 1.00 0.35 C ATOM 1405 CZ PHE A 92 29.486 16.859 4.800 1.00 0.39 C ATOM 0 H PHE A 92 25.826 21.341 4.014 1.00 0.09 H new ATOM 0 HA PHE A 92 28.546 21.322 5.286 1.00 0.17 H new ATOM 0 HB2 PHE A 92 27.216 20.507 2.682 1.00 0.10 H new ATOM 0 HB3 PHE A 92 28.883 21.042 2.593 1.00 0.10 H new ATOM 0 HD1 PHE A 92 30.643 19.879 3.717 1.00 0.23 H new ATOM 0 HD2 PHE A 92 26.603 18.444 3.976 1.00 0.22 H new ATOM 0 HE1 PHE A 92 31.464 17.710 4.602 1.00 0.33 H new ATOM 0 HE2 PHE A 92 27.417 16.290 4.878 1.00 0.35 H new ATOM 0 HZ PHE A 92 29.841 15.917 5.191 1.00 0.39 H new ATOM 1415 N ASP A 93 27.249 23.850 4.040 1.00 0.31 N ATOM 1416 CA ASP A 93 27.485 25.300 3.756 1.00 0.44 C ATOM 1417 C ASP A 93 27.688 26.034 5.088 1.00 0.68 C ATOM 1418 O ASP A 93 26.806 26.701 5.589 1.00 0.88 O ATOM 1419 CB ASP A 93 26.269 25.883 3.028 1.00 0.52 C ATOM 1420 CG ASP A 93 26.413 27.402 2.914 1.00 0.71 C ATOM 1421 OD1 ASP A 93 27.478 27.900 3.233 1.00 1.77 O ATOM 1422 OD2 ASP A 93 25.452 28.039 2.515 1.00 1.04 O ATOM 0 H ASP A 93 26.270 23.594 4.166 1.00 0.31 H new ATOM 0 HA ASP A 93 28.368 25.419 3.128 1.00 0.44 H new ATOM 0 HB2 ASP A 93 26.182 25.441 2.035 1.00 0.52 H new ATOM 0 HB3 ASP A 93 25.356 25.635 3.569 1.00 0.52 H new ATOM 1427 N LYS A 94 28.850 25.890 5.664 1.00 0.76 N ATOM 1428 CA LYS A 94 29.152 26.541 6.974 1.00 1.02 C ATOM 1429 C LYS A 94 29.116 28.064 6.857 1.00 0.92 C ATOM 1430 O LYS A 94 29.023 28.769 7.843 1.00 1.17 O ATOM 1431 CB LYS A 94 30.542 26.106 7.443 1.00 1.22 C ATOM 1432 CG LYS A 94 30.531 24.618 7.841 1.00 1.42 C ATOM 1433 CD LYS A 94 30.078 24.462 9.299 1.00 0.83 C ATOM 1434 CE LYS A 94 30.073 22.979 9.677 1.00 0.96 C ATOM 1435 NZ LYS A 94 31.473 22.510 9.867 1.00 1.59 N ATOM 0 H LYS A 94 29.617 25.340 5.277 1.00 0.76 H new ATOM 0 HA LYS A 94 28.393 26.233 7.693 1.00 1.02 H new ATOM 0 HB2 LYS A 94 31.270 26.271 6.648 1.00 1.22 H new ATOM 0 HB3 LYS A 94 30.854 26.714 8.292 1.00 1.22 H new ATOM 0 HG2 LYS A 94 29.862 24.063 7.183 1.00 1.42 H new ATOM 0 HG3 LYS A 94 31.527 24.193 7.715 1.00 1.42 H new ATOM 0 HD2 LYS A 94 30.747 25.014 9.960 1.00 0.83 H new ATOM 0 HD3 LYS A 94 29.082 24.884 9.428 1.00 0.83 H new ATOM 0 HE2 LYS A 94 29.500 22.828 10.592 1.00 0.96 H new ATOM 0 HE3 LYS A 94 29.586 22.395 8.896 1.00 0.96 H new ATOM 0 HZ1 LYS A 94 31.467 21.565 10.301 1.00 1.59 H new ATOM 0 HZ2 LYS A 94 31.952 22.464 8.945 1.00 1.59 H new ATOM 0 HZ3 LYS A 94 31.980 23.173 10.488 1.00 1.59 H new ATOM 1449 N ASP A 95 29.227 28.574 5.673 1.00 0.63 N ATOM 1450 CA ASP A 95 29.244 30.062 5.485 1.00 0.53 C ATOM 1451 C ASP A 95 27.861 30.561 5.059 1.00 0.35 C ATOM 1452 O ASP A 95 27.689 31.709 4.709 1.00 0.35 O ATOM 1453 CB ASP A 95 30.245 30.407 4.386 1.00 0.57 C ATOM 1454 CG ASP A 95 30.465 31.921 4.352 1.00 0.97 C ATOM 1455 OD1 ASP A 95 30.243 32.555 5.370 1.00 1.18 O ATOM 1456 OD2 ASP A 95 30.854 32.419 3.308 1.00 1.64 O ATOM 0 H ASP A 95 29.308 28.030 4.814 1.00 0.63 H new ATOM 0 HA ASP A 95 29.523 30.536 6.426 1.00 0.53 H new ATOM 0 HB2 ASP A 95 31.190 29.896 4.567 1.00 0.57 H new ATOM 0 HB3 ASP A 95 29.875 30.061 3.421 1.00 0.57 H new ATOM 1461 N GLY A 96 26.874 29.715 5.099 1.00 0.52 N ATOM 1462 CA GLY A 96 25.504 30.154 4.708 1.00 0.85 C ATOM 1463 C GLY A 96 25.565 30.857 3.353 1.00 0.83 C ATOM 1464 O GLY A 96 24.760 31.715 3.048 1.00 0.92 O ATOM 0 H GLY A 96 26.954 28.739 5.385 1.00 0.52 H new ATOM 0 HA2 GLY A 96 24.836 29.294 4.655 1.00 0.85 H new ATOM 0 HA3 GLY A 96 25.097 30.828 5.462 1.00 0.85 H new ATOM 1468 N ASN A 97 26.520 30.500 2.535 1.00 0.74 N ATOM 1469 CA ASN A 97 26.652 31.142 1.189 1.00 0.71 C ATOM 1470 C ASN A 97 26.036 30.227 0.122 1.00 0.80 C ATOM 1471 O ASN A 97 25.227 30.663 -0.675 1.00 1.34 O ATOM 1472 CB ASN A 97 28.135 31.363 0.875 1.00 0.62 C ATOM 1473 CG ASN A 97 28.269 32.288 -0.337 1.00 0.63 C ATOM 1474 OD1 ASN A 97 27.330 32.965 -0.706 1.00 1.74 O ATOM 1475 ND2 ASN A 97 29.406 32.345 -0.976 1.00 0.59 N ATOM 0 H ASN A 97 27.220 29.787 2.741 1.00 0.74 H new ATOM 0 HA ASN A 97 26.132 32.100 1.190 1.00 0.71 H new ATOM 0 HB2 ASN A 97 28.639 31.801 1.737 1.00 0.62 H new ATOM 0 HB3 ASN A 97 28.621 30.408 0.673 1.00 0.62 H new ATOM 0 HD21 ASN A 97 29.506 32.958 -1.785 1.00 0.59 H new ATOM 0 HD22 ASN A 97 30.194 31.777 -0.666 1.00 0.59 H new ATOM 1482 N GLY A 98 26.396 28.961 0.108 1.00 0.49 N ATOM 1483 CA GLY A 98 25.818 28.009 -0.897 1.00 0.62 C ATOM 1484 C GLY A 98 26.936 27.338 -1.692 1.00 0.57 C ATOM 1485 O GLY A 98 26.690 26.492 -2.525 1.00 0.74 O ATOM 0 H GLY A 98 27.068 28.546 0.753 1.00 0.49 H new ATOM 0 HA2 GLY A 98 25.218 27.253 -0.390 1.00 0.62 H new ATOM 0 HA3 GLY A 98 25.151 28.544 -1.574 1.00 0.62 H new ATOM 1489 N TYR A 99 28.163 27.712 -1.440 1.00 0.33 N ATOM 1490 CA TYR A 99 29.319 27.107 -2.177 1.00 0.26 C ATOM 1491 C TYR A 99 30.237 26.371 -1.196 1.00 0.24 C ATOM 1492 O TYR A 99 30.475 26.819 -0.092 1.00 0.26 O ATOM 1493 CB TYR A 99 30.122 28.219 -2.861 1.00 0.26 C ATOM 1494 CG TYR A 99 29.243 28.962 -3.840 1.00 0.47 C ATOM 1495 CD1 TYR A 99 28.359 29.946 -3.380 1.00 2.20 C ATOM 1496 CD2 TYR A 99 29.318 28.674 -5.208 1.00 1.09 C ATOM 1497 CE1 TYR A 99 27.550 30.642 -4.289 1.00 2.46 C ATOM 1498 CE2 TYR A 99 28.511 29.370 -6.117 1.00 0.83 C ATOM 1499 CZ TYR A 99 27.628 30.352 -5.657 1.00 0.96 C ATOM 1500 OH TYR A 99 26.832 31.038 -6.554 1.00 1.21 O ATOM 0 H TYR A 99 28.419 28.417 -0.749 1.00 0.33 H new ATOM 0 HA TYR A 99 28.938 26.405 -2.919 1.00 0.26 H new ATOM 0 HB2 TYR A 99 30.513 28.909 -2.114 1.00 0.26 H new ATOM 0 HB3 TYR A 99 30.980 27.793 -3.381 1.00 0.26 H new ATOM 0 HD1 TYR A 99 28.301 30.169 -2.325 1.00 2.20 H new ATOM 0 HD2 TYR A 99 29.999 27.914 -5.563 1.00 1.09 H new ATOM 0 HE1 TYR A 99 26.868 31.401 -3.935 1.00 2.46 H new ATOM 0 HE2 TYR A 99 28.571 29.148 -7.172 1.00 0.83 H new ATOM 0 HH TYR A 99 27.010 30.716 -7.462 1.00 1.21 H new ATOM 1510 N ILE A 100 30.782 25.258 -1.615 1.00 0.20 N ATOM 1511 CA ILE A 100 31.731 24.489 -0.737 1.00 0.19 C ATOM 1512 C ILE A 100 32.870 23.961 -1.613 1.00 0.14 C ATOM 1513 O ILE A 100 32.782 23.971 -2.826 1.00 0.13 O ATOM 1514 CB ILE A 100 31.037 23.297 -0.038 1.00 0.24 C ATOM 1515 CG1 ILE A 100 30.581 22.268 -1.093 1.00 0.43 C ATOM 1516 CG2 ILE A 100 29.832 23.770 0.818 1.00 0.18 C ATOM 1517 CD1 ILE A 100 29.640 21.237 -0.459 1.00 0.29 C ATOM 0 H ILE A 100 30.613 24.842 -2.531 1.00 0.20 H new ATOM 0 HA ILE A 100 32.102 25.157 0.041 1.00 0.19 H new ATOM 0 HB ILE A 100 31.754 22.827 0.635 1.00 0.24 H new ATOM 0 HG12 ILE A 100 30.074 22.778 -1.912 1.00 0.43 H new ATOM 0 HG13 ILE A 100 31.449 21.765 -1.519 1.00 0.43 H new ATOM 0 HG21 ILE A 100 29.365 22.909 1.296 1.00 0.18 H new ATOM 0 HG22 ILE A 100 30.179 24.466 1.582 1.00 0.18 H new ATOM 0 HG23 ILE A 100 29.104 24.268 0.178 1.00 0.18 H new ATOM 0 HD11 ILE A 100 29.326 20.517 -1.215 1.00 0.29 H new ATOM 0 HD12 ILE A 100 30.160 20.716 0.345 1.00 0.29 H new ATOM 0 HD13 ILE A 100 28.764 21.744 -0.055 1.00 0.29 H new ATOM 1529 N SER A 101 33.936 23.501 -1.020 1.00 0.14 N ATOM 1530 CA SER A 101 35.069 22.974 -1.837 1.00 0.13 C ATOM 1531 C SER A 101 34.745 21.548 -2.292 1.00 0.13 C ATOM 1532 O SER A 101 34.188 20.766 -1.549 1.00 0.19 O ATOM 1533 CB SER A 101 36.353 22.970 -1.005 1.00 0.20 C ATOM 1534 OG SER A 101 36.215 22.052 0.071 1.00 0.26 O ATOM 0 H SER A 101 34.073 23.466 -0.010 1.00 0.14 H new ATOM 0 HA SER A 101 35.213 23.612 -2.709 1.00 0.13 H new ATOM 0 HB2 SER A 101 37.203 22.692 -1.628 1.00 0.20 H new ATOM 0 HB3 SER A 101 36.554 23.970 -0.621 1.00 0.20 H new ATOM 0 HG SER A 101 37.037 22.047 0.604 1.00 0.26 H new ATOM 1540 N ALA A 102 35.079 21.216 -3.513 1.00 0.14 N ATOM 1541 CA ALA A 102 34.790 19.845 -4.044 1.00 0.17 C ATOM 1542 C ALA A 102 35.050 18.784 -2.971 1.00 0.15 C ATOM 1543 O ALA A 102 34.378 17.778 -2.909 1.00 0.20 O ATOM 1544 CB ALA A 102 35.693 19.571 -5.245 1.00 0.22 C ATOM 0 H ALA A 102 35.544 21.840 -4.172 1.00 0.14 H new ATOM 0 HA ALA A 102 33.742 19.798 -4.339 1.00 0.17 H new ATOM 0 HB1 ALA A 102 35.487 18.574 -5.635 1.00 0.22 H new ATOM 0 HB2 ALA A 102 35.501 20.312 -6.021 1.00 0.22 H new ATOM 0 HB3 ALA A 102 36.737 19.631 -4.937 1.00 0.22 H new ATOM 1550 N ALA A 103 36.014 18.997 -2.125 1.00 0.11 N ATOM 1551 CA ALA A 103 36.285 17.987 -1.066 1.00 0.14 C ATOM 1552 C ALA A 103 35.024 17.818 -0.235 1.00 0.15 C ATOM 1553 O ALA A 103 34.484 16.737 -0.104 1.00 0.27 O ATOM 1554 CB ALA A 103 37.437 18.461 -0.175 1.00 0.13 C ATOM 0 H ALA A 103 36.621 19.817 -2.118 1.00 0.11 H new ATOM 0 HA ALA A 103 36.567 17.036 -1.518 1.00 0.14 H new ATOM 0 HB1 ALA A 103 37.629 17.717 0.598 1.00 0.13 H new ATOM 0 HB2 ALA A 103 38.333 18.596 -0.780 1.00 0.13 H new ATOM 0 HB3 ALA A 103 37.169 19.408 0.293 1.00 0.13 H new ATOM 1560 N GLU A 104 34.542 18.889 0.302 1.00 0.09 N ATOM 1561 CA GLU A 104 33.297 18.830 1.107 1.00 0.14 C ATOM 1562 C GLU A 104 32.188 18.234 0.238 1.00 0.26 C ATOM 1563 O GLU A 104 31.336 17.513 0.712 1.00 0.40 O ATOM 1564 CB GLU A 104 32.917 20.249 1.536 1.00 0.25 C ATOM 1565 CG GLU A 104 33.755 20.664 2.747 1.00 0.42 C ATOM 1566 CD GLU A 104 33.514 22.144 3.052 1.00 0.21 C ATOM 1567 OE1 GLU A 104 33.761 22.957 2.175 1.00 0.10 O ATOM 1568 OE2 GLU A 104 33.088 22.439 4.155 1.00 0.32 O ATOM 0 H GLU A 104 34.959 19.816 0.220 1.00 0.09 H new ATOM 0 HA GLU A 104 33.440 18.213 1.994 1.00 0.14 H new ATOM 0 HB2 GLU A 104 33.081 20.944 0.713 1.00 0.25 H new ATOM 0 HB3 GLU A 104 31.856 20.293 1.783 1.00 0.25 H new ATOM 0 HG2 GLU A 104 33.490 20.056 3.612 1.00 0.42 H new ATOM 0 HG3 GLU A 104 34.812 20.490 2.548 1.00 0.42 H new ATOM 1575 N LEU A 105 32.201 18.523 -1.039 1.00 0.22 N ATOM 1576 CA LEU A 105 31.153 17.963 -1.936 1.00 0.33 C ATOM 1577 C LEU A 105 31.295 16.447 -1.974 1.00 0.34 C ATOM 1578 O LEU A 105 30.333 15.717 -1.833 1.00 0.36 O ATOM 1579 CB LEU A 105 31.315 18.519 -3.359 1.00 0.44 C ATOM 1580 CG LEU A 105 30.125 18.057 -4.267 1.00 0.39 C ATOM 1581 CD1 LEU A 105 29.083 19.176 -4.498 1.00 0.42 C ATOM 1582 CD2 LEU A 105 30.651 17.610 -5.634 1.00 0.33 C ATOM 0 H LEU A 105 32.891 19.121 -1.495 1.00 0.22 H new ATOM 0 HA LEU A 105 30.170 18.243 -1.556 1.00 0.33 H new ATOM 0 HB2 LEU A 105 31.355 19.608 -3.328 1.00 0.44 H new ATOM 0 HB3 LEU A 105 32.259 18.177 -3.784 1.00 0.44 H new ATOM 0 HG LEU A 105 29.639 17.234 -3.743 1.00 0.39 H new ATOM 0 HD11 LEU A 105 28.281 18.801 -5.134 1.00 0.42 H new ATOM 0 HD12 LEU A 105 28.669 19.491 -3.540 1.00 0.42 H new ATOM 0 HD13 LEU A 105 29.563 20.026 -4.983 1.00 0.42 H new ATOM 0 HD21 LEU A 105 29.817 17.291 -6.258 1.00 0.33 H new ATOM 0 HD22 LEU A 105 31.167 18.441 -6.115 1.00 0.33 H new ATOM 0 HD23 LEU A 105 31.345 16.780 -5.503 1.00 0.33 H new ATOM 1594 N ARG A 106 32.489 15.967 -2.158 1.00 0.36 N ATOM 1595 CA ARG A 106 32.690 14.498 -2.196 1.00 0.43 C ATOM 1596 C ARG A 106 32.301 13.932 -0.836 1.00 0.38 C ATOM 1597 O ARG A 106 31.780 12.844 -0.732 1.00 0.41 O ATOM 1598 CB ARG A 106 34.170 14.186 -2.479 1.00 0.50 C ATOM 1599 CG ARG A 106 34.437 14.210 -3.986 1.00 0.45 C ATOM 1600 CD ARG A 106 35.925 13.953 -4.243 1.00 0.34 C ATOM 1601 NE ARG A 106 36.744 14.860 -3.390 1.00 1.66 N ATOM 1602 CZ ARG A 106 38.014 14.615 -3.209 1.00 2.32 C ATOM 1603 NH1 ARG A 106 38.565 13.574 -3.771 1.00 2.05 N ATOM 1604 NH2 ARG A 106 38.731 15.408 -2.459 1.00 3.81 N ATOM 0 H ARG A 106 33.332 16.527 -2.283 1.00 0.36 H new ATOM 0 HA ARG A 106 32.079 14.053 -2.981 1.00 0.43 H new ATOM 0 HB2 ARG A 106 34.805 14.917 -1.978 1.00 0.50 H new ATOM 0 HB3 ARG A 106 34.427 13.208 -2.072 1.00 0.50 H new ATOM 0 HG2 ARG A 106 33.834 13.452 -4.485 1.00 0.45 H new ATOM 0 HG3 ARG A 106 34.146 15.174 -4.403 1.00 0.45 H new ATOM 0 HD2 ARG A 106 36.168 12.913 -4.024 1.00 0.34 H new ATOM 0 HD3 ARG A 106 36.157 14.119 -5.295 1.00 0.34 H new ATOM 0 HE ARG A 106 36.313 15.672 -2.948 1.00 1.66 H new ATOM 0 HH11 ARG A 106 38.004 12.951 -4.352 1.00 2.05 H new ATOM 0 HH12 ARG A 106 39.557 13.383 -3.629 1.00 2.05 H new ATOM 0 HH21 ARG A 106 38.299 16.218 -2.015 1.00 3.81 H new ATOM 0 HH22 ARG A 106 39.723 15.217 -2.317 1.00 3.81 H new ATOM 1618 N HIS A 107 32.554 14.673 0.206 1.00 0.33 N ATOM 1619 CA HIS A 107 32.210 14.193 1.565 1.00 0.30 C ATOM 1620 C HIS A 107 30.690 14.217 1.753 1.00 0.26 C ATOM 1621 O HIS A 107 30.121 13.331 2.362 1.00 0.29 O ATOM 1622 CB HIS A 107 32.886 15.108 2.592 1.00 0.30 C ATOM 1623 CG HIS A 107 33.010 14.391 3.905 1.00 0.31 C ATOM 1624 ND1 HIS A 107 33.677 13.181 4.032 1.00 0.49 N ATOM 1625 CD2 HIS A 107 32.552 14.698 5.154 1.00 0.39 C ATOM 1626 CE1 HIS A 107 33.596 12.810 5.323 1.00 0.45 C ATOM 1627 NE2 HIS A 107 32.921 13.701 6.052 1.00 0.34 N ATOM 0 H HIS A 107 32.987 15.596 0.170 1.00 0.33 H new ATOM 0 HA HIS A 107 32.559 13.169 1.701 1.00 0.30 H new ATOM 0 HB2 HIS A 107 33.872 15.406 2.235 1.00 0.30 H new ATOM 0 HB3 HIS A 107 32.304 16.021 2.719 1.00 0.30 H new ATOM 0 HD2 HIS A 107 31.987 15.583 5.407 1.00 0.39 H new ATOM 0 HE1 HIS A 107 34.025 11.902 5.721 1.00 0.45 H new ATOM 0 HE2 HIS A 107 32.719 13.660 7.051 1.00 0.34 H new ATOM 1635 N VAL A 108 30.021 15.210 1.230 1.00 0.23 N ATOM 1636 CA VAL A 108 28.543 15.255 1.381 1.00 0.21 C ATOM 1637 C VAL A 108 27.958 14.020 0.706 1.00 0.20 C ATOM 1638 O VAL A 108 27.017 13.415 1.183 1.00 0.23 O ATOM 1639 CB VAL A 108 27.971 16.477 0.652 1.00 0.22 C ATOM 1640 CG1 VAL A 108 26.435 16.453 0.756 1.00 0.23 C ATOM 1641 CG2 VAL A 108 28.530 17.776 1.267 1.00 0.27 C ATOM 0 H VAL A 108 30.432 15.985 0.709 1.00 0.23 H new ATOM 0 HA VAL A 108 28.296 15.300 2.442 1.00 0.21 H new ATOM 0 HB VAL A 108 28.263 16.444 -0.398 1.00 0.22 H new ATOM 0 HG11 VAL A 108 26.022 17.319 0.240 1.00 0.23 H new ATOM 0 HG12 VAL A 108 26.053 15.541 0.297 1.00 0.23 H new ATOM 0 HG13 VAL A 108 26.141 16.482 1.805 1.00 0.23 H new ATOM 0 HG21 VAL A 108 28.116 18.636 0.740 1.00 0.27 H new ATOM 0 HG22 VAL A 108 28.254 17.828 2.320 1.00 0.27 H new ATOM 0 HG23 VAL A 108 29.616 17.784 1.176 1.00 0.27 H new ATOM 1651 N MET A 109 28.499 13.667 -0.436 1.00 0.17 N ATOM 1652 CA MET A 109 27.965 12.504 -1.188 1.00 0.16 C ATOM 1653 C MET A 109 28.281 11.191 -0.452 1.00 0.15 C ATOM 1654 O MET A 109 27.579 10.212 -0.602 1.00 0.14 O ATOM 1655 CB MET A 109 28.582 12.486 -2.593 1.00 0.23 C ATOM 1656 CG MET A 109 28.253 13.800 -3.314 1.00 0.23 C ATOM 1657 SD MET A 109 29.389 14.026 -4.709 1.00 0.25 S ATOM 1658 CE MET A 109 28.258 13.548 -6.043 1.00 0.11 C ATOM 0 H MET A 109 29.289 14.140 -0.875 1.00 0.17 H new ATOM 0 HA MET A 109 26.882 12.596 -1.266 1.00 0.16 H new ATOM 0 HB2 MET A 109 29.662 12.357 -2.526 1.00 0.23 H new ATOM 0 HB3 MET A 109 28.194 11.640 -3.161 1.00 0.23 H new ATOM 0 HG2 MET A 109 27.223 13.784 -3.669 1.00 0.23 H new ATOM 0 HG3 MET A 109 28.339 14.638 -2.622 1.00 0.23 H new ATOM 0 HE1 MET A 109 28.724 13.755 -7.007 1.00 0.11 H new ATOM 0 HE2 MET A 109 28.036 12.483 -5.968 1.00 0.11 H new ATOM 0 HE3 MET A 109 27.333 14.118 -5.957 1.00 0.11 H new ATOM 1668 N THR A 110 29.337 11.149 0.330 1.00 0.22 N ATOM 1669 CA THR A 110 29.691 9.899 1.049 1.00 0.27 C ATOM 1670 C THR A 110 28.913 9.808 2.373 1.00 0.28 C ATOM 1671 O THR A 110 28.371 8.773 2.709 1.00 0.30 O ATOM 1672 CB THR A 110 31.218 9.916 1.307 1.00 0.38 C ATOM 1673 OG1 THR A 110 31.758 11.120 0.797 1.00 0.45 O ATOM 1674 CG2 THR A 110 31.897 8.734 0.611 1.00 0.36 C ATOM 0 H THR A 110 29.966 11.935 0.496 1.00 0.22 H new ATOM 0 HA THR A 110 29.425 9.027 0.452 1.00 0.27 H new ATOM 0 HB THR A 110 31.394 9.842 2.380 1.00 0.38 H new ATOM 0 HG1 THR A 110 31.579 11.177 -0.165 1.00 0.45 H new ATOM 0 HG21 THR A 110 32.969 8.765 0.805 1.00 0.36 H new ATOM 0 HG22 THR A 110 31.485 7.800 0.995 1.00 0.36 H new ATOM 0 HG23 THR A 110 31.721 8.794 -0.463 1.00 0.36 H new ATOM 1682 N ASN A 111 28.862 10.870 3.135 1.00 0.30 N ATOM 1683 CA ASN A 111 28.132 10.812 4.435 1.00 0.36 C ATOM 1684 C ASN A 111 26.654 10.537 4.183 1.00 0.33 C ATOM 1685 O ASN A 111 25.967 9.963 5.004 1.00 0.45 O ATOM 1686 CB ASN A 111 28.291 12.142 5.175 1.00 0.38 C ATOM 1687 CG ASN A 111 27.698 12.015 6.580 1.00 1.04 C ATOM 1688 OD1 ASN A 111 27.615 10.931 7.122 1.00 1.66 O ATOM 1689 ND2 ASN A 111 27.278 13.087 7.197 1.00 1.98 N ATOM 0 H ASN A 111 29.291 11.769 2.915 1.00 0.30 H new ATOM 0 HA ASN A 111 28.547 10.010 5.045 1.00 0.36 H new ATOM 0 HB2 ASN A 111 29.345 12.413 5.236 1.00 0.38 H new ATOM 0 HB3 ASN A 111 27.788 12.939 4.627 1.00 0.38 H new ATOM 0 HD21 ASN A 111 26.881 13.014 8.134 1.00 1.98 H new ATOM 0 HD22 ASN A 111 27.348 13.997 6.742 1.00 1.98 H new ATOM 1696 N LEU A 112 26.163 10.951 3.059 1.00 0.21 N ATOM 1697 CA LEU A 112 24.722 10.724 2.747 1.00 0.27 C ATOM 1698 C LEU A 112 24.416 9.229 2.747 1.00 0.32 C ATOM 1699 O LEU A 112 23.312 8.800 3.014 1.00 0.40 O ATOM 1700 CB LEU A 112 24.389 11.330 1.369 1.00 0.24 C ATOM 1701 CG LEU A 112 23.928 12.790 1.523 1.00 0.32 C ATOM 1702 CD1 LEU A 112 23.769 13.413 0.133 1.00 0.39 C ATOM 1703 CD2 LEU A 112 22.583 12.858 2.288 1.00 0.35 C ATOM 0 H LEU A 112 26.693 11.439 2.336 1.00 0.21 H new ATOM 0 HA LEU A 112 24.111 11.207 3.509 1.00 0.27 H new ATOM 0 HB2 LEU A 112 25.266 11.285 0.723 1.00 0.24 H new ATOM 0 HB3 LEU A 112 23.607 10.744 0.886 1.00 0.24 H new ATOM 0 HG LEU A 112 24.675 13.343 2.093 1.00 0.32 H new ATOM 0 HD11 LEU A 112 23.442 14.448 0.233 1.00 0.39 H new ATOM 0 HD12 LEU A 112 24.725 13.383 -0.391 1.00 0.39 H new ATOM 0 HD13 LEU A 112 23.027 12.852 -0.435 1.00 0.39 H new ATOM 0 HD21 LEU A 112 22.273 13.898 2.387 1.00 0.35 H new ATOM 0 HD22 LEU A 112 21.823 12.304 1.737 1.00 0.35 H new ATOM 0 HD23 LEU A 112 22.705 12.420 3.279 1.00 0.35 H new ATOM 1715 N GLY A 113 25.390 8.446 2.452 1.00 0.30 N ATOM 1716 CA GLY A 113 25.203 6.967 2.427 1.00 0.38 C ATOM 1717 C GLY A 113 24.687 6.530 1.054 1.00 0.38 C ATOM 1718 O GLY A 113 23.949 5.573 0.933 1.00 0.56 O ATOM 0 H GLY A 113 26.332 8.762 2.220 1.00 0.30 H new ATOM 0 HA2 GLY A 113 26.147 6.469 2.646 1.00 0.38 H new ATOM 0 HA3 GLY A 113 24.498 6.668 3.202 1.00 0.38 H new ATOM 1722 N GLU A 114 25.072 7.221 0.013 1.00 0.30 N ATOM 1723 CA GLU A 114 24.610 6.842 -1.345 1.00 0.48 C ATOM 1724 C GLU A 114 25.458 5.660 -1.847 1.00 0.37 C ATOM 1725 O GLU A 114 26.646 5.604 -1.601 1.00 0.42 O ATOM 1726 CB GLU A 114 24.781 8.041 -2.281 1.00 0.66 C ATOM 1727 CG GLU A 114 23.737 9.107 -1.943 1.00 0.75 C ATOM 1728 CD GLU A 114 22.355 8.641 -2.403 1.00 0.80 C ATOM 1729 OE1 GLU A 114 22.298 7.732 -3.217 1.00 1.63 O ATOM 1730 OE2 GLU A 114 21.377 9.199 -1.935 1.00 1.25 O ATOM 0 H GLU A 114 25.688 8.033 0.050 1.00 0.30 H new ATOM 0 HA GLU A 114 23.560 6.550 -1.321 1.00 0.48 H new ATOM 0 HB2 GLU A 114 25.784 8.455 -2.179 1.00 0.66 H new ATOM 0 HB3 GLU A 114 24.670 7.725 -3.318 1.00 0.66 H new ATOM 0 HG2 GLU A 114 23.729 9.294 -0.869 1.00 0.75 H new ATOM 0 HG3 GLU A 114 23.994 10.048 -2.429 1.00 0.75 H new ATOM 1737 N LYS A 115 24.870 4.707 -2.536 1.00 0.28 N ATOM 1738 CA LYS A 115 25.669 3.544 -3.021 1.00 0.18 C ATOM 1739 C LYS A 115 26.414 3.922 -4.293 1.00 0.27 C ATOM 1740 O LYS A 115 26.555 3.141 -5.213 1.00 0.35 O ATOM 1741 CB LYS A 115 24.733 2.377 -3.310 1.00 0.19 C ATOM 1742 CG LYS A 115 24.317 1.704 -1.997 1.00 0.13 C ATOM 1743 CD LYS A 115 23.068 0.846 -2.229 1.00 0.40 C ATOM 1744 CE LYS A 115 23.311 -0.114 -3.399 1.00 1.56 C ATOM 1745 NZ LYS A 115 22.293 -1.202 -3.370 1.00 2.00 N ATOM 0 H LYS A 115 23.880 4.688 -2.779 1.00 0.28 H new ATOM 0 HA LYS A 115 26.390 3.258 -2.256 1.00 0.18 H new ATOM 0 HB2 LYS A 115 23.850 2.731 -3.843 1.00 0.19 H new ATOM 0 HB3 LYS A 115 25.228 1.654 -3.958 1.00 0.19 H new ATOM 0 HG2 LYS A 115 25.131 1.084 -1.621 1.00 0.13 H new ATOM 0 HG3 LYS A 115 24.115 2.460 -1.238 1.00 0.13 H new ATOM 0 HD2 LYS A 115 22.829 0.282 -1.327 1.00 0.40 H new ATOM 0 HD3 LYS A 115 22.211 1.485 -2.442 1.00 0.40 H new ATOM 0 HE2 LYS A 115 23.254 0.426 -4.344 1.00 1.56 H new ATOM 0 HE3 LYS A 115 24.313 -0.538 -3.333 1.00 1.56 H new ATOM 0 HZ1 LYS A 115 22.489 -1.881 -4.133 1.00 2.00 H new ATOM 0 HZ2 LYS A 115 22.333 -1.691 -2.453 1.00 2.00 H new ATOM 0 HZ3 LYS A 115 21.346 -0.795 -3.504 1.00 2.00 H new ATOM 1759 N LEU A 116 26.901 5.115 -4.332 1.00 0.33 N ATOM 1760 CA LEU A 116 27.669 5.590 -5.528 1.00 0.41 C ATOM 1761 C LEU A 116 29.158 5.330 -5.301 1.00 0.25 C ATOM 1762 O LEU A 116 29.700 5.628 -4.255 1.00 0.34 O ATOM 1763 CB LEU A 116 27.440 7.092 -5.737 1.00 0.63 C ATOM 1764 CG LEU A 116 25.965 7.365 -6.059 1.00 1.42 C ATOM 1765 CD1 LEU A 116 25.697 8.869 -5.953 1.00 1.70 C ATOM 1766 CD2 LEU A 116 25.628 6.887 -7.484 1.00 2.15 C ATOM 0 H LEU A 116 26.806 5.801 -3.583 1.00 0.33 H new ATOM 0 HA LEU A 116 27.328 5.052 -6.413 1.00 0.41 H new ATOM 0 HB2 LEU A 116 27.731 7.640 -4.841 1.00 0.63 H new ATOM 0 HB3 LEU A 116 28.070 7.453 -6.550 1.00 0.63 H new ATOM 0 HG LEU A 116 25.341 6.822 -5.349 1.00 1.42 H new ATOM 0 HD11 LEU A 116 24.650 9.069 -6.181 1.00 1.70 H new ATOM 0 HD12 LEU A 116 25.919 9.208 -4.941 1.00 1.70 H new ATOM 0 HD13 LEU A 116 26.331 9.402 -6.662 1.00 1.70 H new ATOM 0 HD21 LEU A 116 24.578 7.088 -7.696 1.00 2.15 H new ATOM 0 HD22 LEU A 116 26.252 7.418 -8.203 1.00 2.15 H new ATOM 0 HD23 LEU A 116 25.815 5.816 -7.562 1.00 2.15 H new ATOM 1778 N THR A 117 29.825 4.774 -6.276 1.00 0.27 N ATOM 1779 CA THR A 117 31.282 4.490 -6.116 1.00 0.13 C ATOM 1780 C THR A 117 32.084 5.765 -6.386 1.00 0.08 C ATOM 1781 O THR A 117 31.701 6.593 -7.187 1.00 0.09 O ATOM 1782 CB THR A 117 31.703 3.406 -7.114 1.00 0.27 C ATOM 1783 OG1 THR A 117 31.352 3.812 -8.429 1.00 0.33 O ATOM 1784 CG2 THR A 117 30.995 2.091 -6.779 1.00 0.38 C ATOM 0 H THR A 117 29.426 4.504 -7.175 1.00 0.27 H new ATOM 0 HA THR A 117 31.474 4.146 -5.100 1.00 0.13 H new ATOM 0 HB THR A 117 32.781 3.259 -7.053 1.00 0.27 H new ATOM 0 HG1 THR A 117 31.622 3.120 -9.068 1.00 0.33 H new ATOM 0 HG21 THR A 117 31.297 1.323 -7.491 1.00 0.38 H new ATOM 0 HG22 THR A 117 31.267 1.778 -5.771 1.00 0.38 H new ATOM 0 HG23 THR A 117 29.916 2.234 -6.836 1.00 0.38 H new ATOM 1792 N ASP A 118 33.196 5.928 -5.721 1.00 0.17 N ATOM 1793 CA ASP A 118 34.023 7.149 -5.942 1.00 0.26 C ATOM 1794 C ASP A 118 34.299 7.318 -7.438 1.00 0.26 C ATOM 1795 O ASP A 118 34.631 8.393 -7.899 1.00 0.30 O ATOM 1796 CB ASP A 118 35.353 7.007 -5.198 1.00 0.39 C ATOM 1797 CG ASP A 118 35.110 7.101 -3.690 1.00 0.54 C ATOM 1798 OD1 ASP A 118 34.657 6.121 -3.122 1.00 0.83 O ATOM 1799 OD2 ASP A 118 35.381 8.150 -3.131 1.00 1.31 O ATOM 0 H ASP A 118 33.567 5.270 -5.036 1.00 0.17 H new ATOM 0 HA ASP A 118 33.485 8.020 -5.569 1.00 0.26 H new ATOM 0 HB2 ASP A 118 35.818 6.052 -5.443 1.00 0.39 H new ATOM 0 HB3 ASP A 118 36.044 7.788 -5.515 1.00 0.39 H new ATOM 1804 N GLU A 119 34.167 6.268 -8.200 1.00 0.26 N ATOM 1805 CA GLU A 119 34.424 6.380 -9.669 1.00 0.31 C ATOM 1806 C GLU A 119 33.252 7.111 -10.325 1.00 0.24 C ATOM 1807 O GLU A 119 33.433 8.034 -11.093 1.00 0.25 O ATOM 1808 CB GLU A 119 34.573 4.983 -10.297 1.00 0.37 C ATOM 1809 CG GLU A 119 35.977 4.427 -10.021 1.00 0.54 C ATOM 1810 CD GLU A 119 35.982 2.914 -10.253 1.00 0.87 C ATOM 1811 OE1 GLU A 119 35.082 2.435 -10.924 1.00 1.77 O ATOM 1812 OE2 GLU A 119 36.884 2.260 -9.757 1.00 1.67 O ATOM 0 H GLU A 119 33.894 5.341 -7.874 1.00 0.26 H new ATOM 0 HA GLU A 119 35.349 6.935 -9.829 1.00 0.31 H new ATOM 0 HB2 GLU A 119 33.820 4.310 -9.888 1.00 0.37 H new ATOM 0 HB3 GLU A 119 34.400 5.039 -11.372 1.00 0.37 H new ATOM 0 HG2 GLU A 119 36.705 4.908 -10.674 1.00 0.54 H new ATOM 0 HG3 GLU A 119 36.273 4.649 -8.996 1.00 0.54 H new ATOM 1819 N GLU A 120 32.048 6.708 -10.024 1.00 0.19 N ATOM 1820 CA GLU A 120 30.866 7.380 -10.627 1.00 0.18 C ATOM 1821 C GLU A 120 30.972 8.891 -10.395 1.00 0.12 C ATOM 1822 O GLU A 120 30.521 9.689 -11.193 1.00 0.08 O ATOM 1823 CB GLU A 120 29.588 6.845 -9.969 1.00 0.18 C ATOM 1824 CG GLU A 120 29.238 5.475 -10.557 1.00 0.23 C ATOM 1825 CD GLU A 120 27.921 4.980 -9.953 1.00 0.20 C ATOM 1826 OE1 GLU A 120 27.888 4.762 -8.754 1.00 0.18 O ATOM 1827 OE2 GLU A 120 26.968 4.830 -10.700 1.00 0.50 O ATOM 0 H GLU A 120 31.833 5.942 -9.386 1.00 0.19 H new ATOM 0 HA GLU A 120 30.833 7.179 -11.698 1.00 0.18 H new ATOM 0 HB2 GLU A 120 29.729 6.763 -8.891 1.00 0.18 H new ATOM 0 HB3 GLU A 120 28.765 7.542 -10.131 1.00 0.18 H new ATOM 0 HG2 GLU A 120 29.149 5.545 -11.641 1.00 0.23 H new ATOM 0 HG3 GLU A 120 30.036 4.763 -10.348 1.00 0.23 H new ATOM 1834 N VAL A 121 31.566 9.289 -9.303 1.00 0.18 N ATOM 1835 CA VAL A 121 31.702 10.744 -9.016 1.00 0.15 C ATOM 1836 C VAL A 121 32.777 11.347 -9.922 1.00 0.16 C ATOM 1837 O VAL A 121 32.673 12.473 -10.365 1.00 0.18 O ATOM 1838 CB VAL A 121 32.088 10.933 -7.544 1.00 0.12 C ATOM 1839 CG1 VAL A 121 32.511 12.384 -7.302 1.00 0.16 C ATOM 1840 CG2 VAL A 121 30.882 10.601 -6.659 1.00 0.11 C ATOM 0 H VAL A 121 31.963 8.669 -8.597 1.00 0.18 H new ATOM 0 HA VAL A 121 30.755 11.248 -9.208 1.00 0.15 H new ATOM 0 HB VAL A 121 32.919 10.271 -7.300 1.00 0.12 H new ATOM 0 HG11 VAL A 121 32.784 12.513 -6.255 1.00 0.16 H new ATOM 0 HG12 VAL A 121 33.367 12.623 -7.933 1.00 0.16 H new ATOM 0 HG13 VAL A 121 31.683 13.050 -7.546 1.00 0.16 H new ATOM 0 HG21 VAL A 121 31.152 10.734 -5.611 1.00 0.11 H new ATOM 0 HG22 VAL A 121 30.054 11.265 -6.908 1.00 0.11 H new ATOM 0 HG23 VAL A 121 30.581 9.567 -6.828 1.00 0.11 H new ATOM 1850 N ASP A 122 33.808 10.608 -10.197 1.00 0.16 N ATOM 1851 CA ASP A 122 34.894 11.136 -11.072 1.00 0.16 C ATOM 1852 C ASP A 122 34.300 11.548 -12.423 1.00 0.20 C ATOM 1853 O ASP A 122 34.748 12.490 -13.046 1.00 0.22 O ATOM 1854 CB ASP A 122 35.960 10.058 -11.282 1.00 0.17 C ATOM 1855 CG ASP A 122 36.791 9.908 -10.006 1.00 0.23 C ATOM 1856 OD1 ASP A 122 37.527 10.829 -9.689 1.00 1.37 O ATOM 1857 OD2 ASP A 122 36.681 8.873 -9.369 1.00 0.95 O ATOM 0 H ASP A 122 33.950 9.658 -9.855 1.00 0.16 H new ATOM 0 HA ASP A 122 35.354 12.003 -10.598 1.00 0.16 H new ATOM 0 HB2 ASP A 122 35.488 9.109 -11.535 1.00 0.17 H new ATOM 0 HB3 ASP A 122 36.604 10.327 -12.119 1.00 0.17 H new ATOM 1862 N GLU A 123 33.285 10.860 -12.873 1.00 0.20 N ATOM 1863 CA GLU A 123 32.657 11.234 -14.175 1.00 0.23 C ATOM 1864 C GLU A 123 31.844 12.515 -13.959 1.00 0.25 C ATOM 1865 O GLU A 123 31.800 13.390 -14.800 1.00 0.27 O ATOM 1866 CB GLU A 123 31.735 10.096 -14.652 1.00 0.21 C ATOM 1867 CG GLU A 123 32.537 9.072 -15.468 1.00 1.70 C ATOM 1868 CD GLU A 123 32.829 9.641 -16.860 1.00 2.42 C ATOM 1869 OE1 GLU A 123 31.980 9.502 -17.723 1.00 2.28 O ATOM 1870 OE2 GLU A 123 33.896 10.204 -17.036 1.00 3.66 O ATOM 0 H GLU A 123 32.865 10.060 -12.400 1.00 0.20 H new ATOM 0 HA GLU A 123 33.422 11.400 -14.934 1.00 0.23 H new ATOM 0 HB2 GLU A 123 31.274 9.607 -13.794 1.00 0.21 H new ATOM 0 HB3 GLU A 123 30.927 10.503 -15.259 1.00 0.21 H new ATOM 0 HG2 GLU A 123 33.471 8.836 -14.957 1.00 1.70 H new ATOM 0 HG3 GLU A 123 31.976 8.141 -15.555 1.00 1.70 H new ATOM 1877 N MET A 124 31.209 12.625 -12.824 1.00 0.27 N ATOM 1878 CA MET A 124 30.405 13.840 -12.522 1.00 0.29 C ATOM 1879 C MET A 124 31.343 15.041 -12.323 1.00 0.27 C ATOM 1880 O MET A 124 30.999 16.165 -12.631 1.00 0.33 O ATOM 1881 CB MET A 124 29.572 13.588 -11.276 1.00 0.27 C ATOM 1882 CG MET A 124 28.589 12.447 -11.545 1.00 0.31 C ATOM 1883 SD MET A 124 27.866 11.893 -9.980 1.00 0.47 S ATOM 1884 CE MET A 124 26.823 10.581 -10.663 1.00 0.65 C ATOM 0 H MET A 124 31.214 11.919 -12.088 1.00 0.27 H new ATOM 0 HA MET A 124 29.735 14.063 -13.352 1.00 0.29 H new ATOM 0 HB2 MET A 124 30.220 13.334 -10.437 1.00 0.27 H new ATOM 0 HB3 MET A 124 29.030 14.492 -10.998 1.00 0.27 H new ATOM 0 HG2 MET A 124 27.804 12.781 -12.223 1.00 0.31 H new ATOM 0 HG3 MET A 124 29.101 11.619 -12.035 1.00 0.31 H new ATOM 0 HE1 MET A 124 26.275 10.095 -9.856 1.00 0.65 H new ATOM 0 HE2 MET A 124 26.117 11.010 -11.374 1.00 0.65 H new ATOM 0 HE3 MET A 124 27.448 9.847 -11.171 1.00 0.65 H new ATOM 1894 N ILE A 125 32.531 14.806 -11.832 1.00 0.21 N ATOM 1895 CA ILE A 125 33.505 15.923 -11.633 1.00 0.20 C ATOM 1896 C ILE A 125 34.066 16.360 -12.996 1.00 0.24 C ATOM 1897 O ILE A 125 34.493 17.484 -13.169 1.00 0.28 O ATOM 1898 CB ILE A 125 34.642 15.424 -10.732 1.00 0.18 C ATOM 1899 CG1 ILE A 125 34.120 15.282 -9.295 1.00 0.13 C ATOM 1900 CG2 ILE A 125 35.806 16.422 -10.757 1.00 0.20 C ATOM 1901 CD1 ILE A 125 35.152 14.555 -8.431 1.00 0.11 C ATOM 0 H ILE A 125 32.872 13.884 -11.558 1.00 0.21 H new ATOM 0 HA ILE A 125 33.013 16.776 -11.165 1.00 0.20 H new ATOM 0 HB ILE A 125 34.994 14.458 -11.095 1.00 0.18 H new ATOM 0 HG12 ILE A 125 33.912 16.267 -8.876 1.00 0.13 H new ATOM 0 HG13 ILE A 125 33.180 14.730 -9.294 1.00 0.13 H new ATOM 0 HG21 ILE A 125 36.609 16.060 -10.115 1.00 0.20 H new ATOM 0 HG22 ILE A 125 36.175 16.525 -11.777 1.00 0.20 H new ATOM 0 HG23 ILE A 125 35.462 17.391 -10.397 1.00 0.20 H new ATOM 0 HD11 ILE A 125 34.772 14.459 -7.414 1.00 0.11 H new ATOM 0 HD12 ILE A 125 35.338 13.563 -8.844 1.00 0.11 H new ATOM 0 HD13 ILE A 125 36.082 15.124 -8.419 1.00 0.11 H new ATOM 1913 N ARG A 126 34.078 15.478 -13.959 1.00 0.24 N ATOM 1914 CA ARG A 126 34.623 15.840 -15.302 1.00 0.27 C ATOM 1915 C ARG A 126 33.736 16.907 -15.961 1.00 0.24 C ATOM 1916 O ARG A 126 34.221 17.925 -16.410 1.00 0.21 O ATOM 1917 CB ARG A 126 34.676 14.580 -16.187 1.00 0.36 C ATOM 1918 CG ARG A 126 35.969 13.790 -15.905 1.00 0.62 C ATOM 1919 CD ARG A 126 37.211 14.582 -16.380 1.00 2.01 C ATOM 1920 NE ARG A 126 38.111 13.696 -17.190 1.00 2.20 N ATOM 1921 CZ ARG A 126 38.434 12.500 -16.778 1.00 1.53 C ATOM 1922 NH1 ARG A 126 38.057 12.084 -15.600 1.00 1.17 N ATOM 1923 NH2 ARG A 126 39.163 11.728 -17.538 1.00 1.97 N ATOM 0 H ARG A 126 33.734 14.521 -13.875 1.00 0.24 H new ATOM 0 HA ARG A 126 35.628 16.245 -15.186 1.00 0.27 H new ATOM 0 HB2 ARG A 126 33.807 13.952 -15.992 1.00 0.36 H new ATOM 0 HB3 ARG A 126 34.635 14.863 -17.239 1.00 0.36 H new ATOM 0 HG2 ARG A 126 36.049 13.584 -14.838 1.00 0.62 H new ATOM 0 HG3 ARG A 126 35.930 12.827 -16.413 1.00 0.62 H new ATOM 0 HD2 ARG A 126 36.899 15.439 -16.977 1.00 2.01 H new ATOM 0 HD3 ARG A 126 37.753 14.974 -15.519 1.00 2.01 H new ATOM 0 HE ARG A 126 38.478 14.035 -18.080 1.00 2.20 H new ATOM 0 HH11 ARG A 126 37.507 12.694 -14.996 1.00 1.17 H new ATOM 0 HH12 ARG A 126 38.312 11.149 -15.284 1.00 1.17 H new ATOM 0 HH21 ARG A 126 39.478 12.060 -18.450 1.00 1.97 H new ATOM 0 HH22 ARG A 126 39.418 10.793 -17.220 1.00 1.97 H new ATOM 1937 N GLU A 127 32.449 16.686 -16.041 1.00 0.26 N ATOM 1938 CA GLU A 127 31.566 17.705 -16.693 1.00 0.26 C ATOM 1939 C GLU A 127 31.277 18.863 -15.716 1.00 0.21 C ATOM 1940 O GLU A 127 30.910 19.947 -16.127 1.00 0.21 O ATOM 1941 CB GLU A 127 30.249 17.045 -17.134 1.00 0.34 C ATOM 1942 CG GLU A 127 30.471 16.267 -18.433 1.00 0.42 C ATOM 1943 CD GLU A 127 31.609 15.262 -18.237 1.00 2.52 C ATOM 1944 OE1 GLU A 127 31.648 14.638 -17.190 1.00 3.46 O ATOM 1945 OE2 GLU A 127 32.423 15.136 -19.138 1.00 3.42 O ATOM 0 H GLU A 127 31.974 15.855 -15.688 1.00 0.26 H new ATOM 0 HA GLU A 127 32.075 18.107 -17.569 1.00 0.26 H new ATOM 0 HB2 GLU A 127 29.888 16.374 -16.354 1.00 0.34 H new ATOM 0 HB3 GLU A 127 29.482 17.805 -17.281 1.00 0.34 H new ATOM 0 HG2 GLU A 127 29.557 15.747 -18.719 1.00 0.42 H new ATOM 0 HG3 GLU A 127 30.713 16.954 -19.244 1.00 0.42 H new ATOM 1952 N ALA A 128 31.480 18.666 -14.435 1.00 0.17 N ATOM 1953 CA ALA A 128 31.268 19.756 -13.458 1.00 0.15 C ATOM 1954 C ALA A 128 32.587 20.478 -13.307 1.00 0.09 C ATOM 1955 O ALA A 128 33.305 20.242 -12.366 1.00 0.07 O ATOM 1956 CB ALA A 128 30.867 19.204 -12.099 1.00 0.16 C ATOM 0 H ALA A 128 31.787 17.782 -14.030 1.00 0.17 H new ATOM 0 HA ALA A 128 30.473 20.413 -13.810 1.00 0.15 H new ATOM 0 HB1 ALA A 128 30.718 20.028 -11.401 1.00 0.16 H new ATOM 0 HB2 ALA A 128 29.941 18.638 -12.195 1.00 0.16 H new ATOM 0 HB3 ALA A 128 31.655 18.550 -11.725 1.00 0.16 H new ATOM 1962 N ASP A 129 32.910 21.316 -14.238 1.00 0.08 N ATOM 1963 CA ASP A 129 34.207 22.066 -14.211 1.00 0.12 C ATOM 1964 C ASP A 129 34.520 22.489 -12.773 1.00 0.18 C ATOM 1965 O ASP A 129 34.223 23.583 -12.335 1.00 0.23 O ATOM 1966 CB ASP A 129 34.080 23.303 -15.109 1.00 0.16 C ATOM 1967 CG ASP A 129 33.189 22.973 -16.309 1.00 1.04 C ATOM 1968 OD1 ASP A 129 33.239 21.845 -16.768 1.00 1.96 O ATOM 1969 OD2 ASP A 129 32.469 23.857 -16.746 1.00 1.49 O ATOM 0 H ASP A 129 32.320 21.526 -15.043 1.00 0.08 H new ATOM 0 HA ASP A 129 35.016 21.433 -14.576 1.00 0.12 H new ATOM 0 HB2 ASP A 129 33.655 24.133 -14.545 1.00 0.16 H new ATOM 0 HB3 ASP A 129 35.065 23.620 -15.450 1.00 0.16 H new ATOM 1974 N ILE A 130 35.070 21.573 -12.030 1.00 0.17 N ATOM 1975 CA ILE A 130 35.371 21.803 -10.592 1.00 0.24 C ATOM 1976 C ILE A 130 36.677 22.573 -10.404 1.00 0.40 C ATOM 1977 O ILE A 130 37.094 22.873 -9.303 1.00 0.63 O ATOM 1978 CB ILE A 130 35.432 20.408 -9.936 1.00 0.15 C ATOM 1979 CG1 ILE A 130 33.977 19.876 -9.630 1.00 0.07 C ATOM 1980 CG2 ILE A 130 36.335 20.420 -8.700 1.00 0.16 C ATOM 1981 CD1 ILE A 130 33.836 19.375 -8.178 1.00 0.05 C ATOM 0 H ILE A 130 35.331 20.647 -12.370 1.00 0.17 H new ATOM 0 HA ILE A 130 34.602 22.420 -10.127 1.00 0.24 H new ATOM 0 HB ILE A 130 35.884 19.707 -10.638 1.00 0.15 H new ATOM 0 HG12 ILE A 130 33.255 20.672 -9.810 1.00 0.07 H new ATOM 0 HG13 ILE A 130 33.736 19.066 -10.318 1.00 0.07 H new ATOM 0 HG21 ILE A 130 36.360 19.424 -8.258 1.00 0.16 H new ATOM 0 HG22 ILE A 130 37.344 20.714 -8.989 1.00 0.16 H new ATOM 0 HG23 ILE A 130 35.945 21.131 -7.972 1.00 0.16 H new ATOM 0 HD11 ILE A 130 32.819 19.019 -8.013 1.00 0.05 H new ATOM 0 HD12 ILE A 130 34.539 18.560 -8.004 1.00 0.05 H new ATOM 0 HD13 ILE A 130 34.050 20.192 -7.489 1.00 0.05 H new ATOM 1993 N ASP A 131 37.281 22.910 -11.466 1.00 0.34 N ATOM 1994 CA ASP A 131 38.540 23.682 -11.451 1.00 0.47 C ATOM 1995 C ASP A 131 38.218 25.042 -12.029 1.00 0.68 C ATOM 1996 O ASP A 131 37.082 25.472 -12.038 1.00 0.79 O ATOM 1997 CB ASP A 131 39.611 22.975 -12.305 1.00 0.32 C ATOM 1998 CG ASP A 131 40.986 23.572 -11.998 1.00 0.46 C ATOM 1999 OD1 ASP A 131 41.367 23.571 -10.838 1.00 1.20 O ATOM 2000 OD2 ASP A 131 41.636 24.020 -12.930 1.00 1.22 O ATOM 0 H ASP A 131 36.948 22.677 -12.402 1.00 0.34 H new ATOM 0 HA ASP A 131 38.936 23.770 -10.439 1.00 0.47 H new ATOM 0 HB2 ASP A 131 39.612 21.906 -12.094 1.00 0.32 H new ATOM 0 HB3 ASP A 131 39.381 23.091 -13.364 1.00 0.32 H new ATOM 2005 N GLY A 132 39.192 25.721 -12.500 1.00 0.77 N ATOM 2006 CA GLY A 132 38.940 27.070 -13.066 1.00 1.00 C ATOM 2007 C GLY A 132 38.546 28.022 -11.931 1.00 1.09 C ATOM 2008 O GLY A 132 38.742 29.216 -12.019 1.00 1.30 O ATOM 0 H GLY A 132 40.163 25.411 -12.524 1.00 0.77 H new ATOM 0 HA2 GLY A 132 39.832 27.438 -13.573 1.00 1.00 H new ATOM 0 HA3 GLY A 132 38.146 27.023 -13.811 1.00 1.00 H new ATOM 2012 N ASP A 133 37.987 27.495 -10.861 1.00 0.95 N ATOM 2013 CA ASP A 133 37.572 28.359 -9.707 1.00 1.08 C ATOM 2014 C ASP A 133 38.158 27.797 -8.409 1.00 0.84 C ATOM 2015 O ASP A 133 39.175 28.251 -7.924 1.00 0.90 O ATOM 2016 CB ASP A 133 36.045 28.372 -9.610 1.00 1.23 C ATOM 2017 CG ASP A 133 35.613 29.273 -8.450 1.00 1.59 C ATOM 2018 OD1 ASP A 133 35.833 30.468 -8.540 1.00 1.56 O ATOM 2019 OD2 ASP A 133 35.067 28.750 -7.492 1.00 2.72 O ATOM 0 H ASP A 133 37.801 26.500 -10.739 1.00 0.95 H new ATOM 0 HA ASP A 133 37.940 29.374 -9.861 1.00 1.08 H new ATOM 0 HB2 ASP A 133 35.614 28.732 -10.544 1.00 1.23 H new ATOM 0 HB3 ASP A 133 35.671 27.360 -9.456 1.00 1.23 H new ATOM 2024 N GLY A 134 37.517 26.812 -7.841 1.00 0.59 N ATOM 2025 CA GLY A 134 38.019 26.210 -6.569 1.00 0.40 C ATOM 2026 C GLY A 134 36.827 25.705 -5.755 1.00 0.30 C ATOM 2027 O GLY A 134 36.921 24.739 -5.026 1.00 0.26 O ATOM 0 H GLY A 134 36.661 26.394 -8.205 1.00 0.59 H new ATOM 0 HA2 GLY A 134 38.703 25.389 -6.785 1.00 0.40 H new ATOM 0 HA3 GLY A 134 38.579 26.950 -5.997 1.00 0.40 H new ATOM 2031 N GLN A 135 35.700 26.354 -5.892 1.00 0.32 N ATOM 2032 CA GLN A 135 34.469 25.941 -5.155 1.00 0.29 C ATOM 2033 C GLN A 135 33.328 25.801 -6.165 1.00 0.31 C ATOM 2034 O GLN A 135 33.366 26.391 -7.228 1.00 0.36 O ATOM 2035 CB GLN A 135 34.121 27.015 -4.120 1.00 0.35 C ATOM 2036 CG GLN A 135 35.397 27.447 -3.380 1.00 0.35 C ATOM 2037 CD GLN A 135 35.027 28.086 -2.037 1.00 0.58 C ATOM 2038 OE1 GLN A 135 33.877 28.399 -1.798 1.00 0.88 O ATOM 2039 NE2 GLN A 135 35.959 28.296 -1.147 1.00 1.60 N ATOM 0 H GLN A 135 35.579 27.168 -6.495 1.00 0.32 H new ATOM 0 HA GLN A 135 34.628 24.992 -4.643 1.00 0.29 H new ATOM 0 HB2 GLN A 135 33.664 27.874 -4.611 1.00 0.35 H new ATOM 0 HB3 GLN A 135 33.390 26.628 -3.410 1.00 0.35 H new ATOM 0 HG2 GLN A 135 36.043 26.585 -3.217 1.00 0.35 H new ATOM 0 HG3 GLN A 135 35.959 28.156 -3.988 1.00 0.35 H new ATOM 0 HE21 GLN A 135 36.924 28.033 -1.347 1.00 1.60 H new ATOM 0 HE22 GLN A 135 35.722 28.723 -0.251 1.00 1.60 H new ATOM 2048 N VAL A 136 32.329 25.010 -5.863 1.00 0.29 N ATOM 2049 CA VAL A 136 31.205 24.814 -6.827 1.00 0.32 C ATOM 2050 C VAL A 136 29.871 24.844 -6.073 1.00 0.33 C ATOM 2051 O VAL A 136 29.785 24.445 -4.923 1.00 0.32 O ATOM 2052 CB VAL A 136 31.378 23.436 -7.485 1.00 0.34 C ATOM 2053 CG1 VAL A 136 30.727 23.390 -8.876 1.00 0.34 C ATOM 2054 CG2 VAL A 136 32.869 23.113 -7.616 1.00 0.34 C ATOM 0 H VAL A 136 32.244 24.491 -4.989 1.00 0.29 H new ATOM 0 HA VAL A 136 31.211 25.604 -7.578 1.00 0.32 H new ATOM 0 HB VAL A 136 30.886 22.698 -6.852 1.00 0.34 H new ATOM 0 HG11 VAL A 136 30.869 22.401 -9.312 1.00 0.34 H new ATOM 0 HG12 VAL A 136 29.661 23.597 -8.786 1.00 0.34 H new ATOM 0 HG13 VAL A 136 31.189 24.139 -9.519 1.00 0.34 H new ATOM 0 HG21 VAL A 136 32.990 22.135 -8.083 1.00 0.34 H new ATOM 0 HG22 VAL A 136 33.353 23.871 -8.232 1.00 0.34 H new ATOM 0 HG23 VAL A 136 33.327 23.102 -6.627 1.00 0.34 H new ATOM 2064 N ASN A 137 28.826 25.282 -6.717 1.00 0.35 N ATOM 2065 CA ASN A 137 27.506 25.307 -6.079 1.00 0.36 C ATOM 2066 C ASN A 137 26.883 23.920 -6.234 1.00 0.42 C ATOM 2067 O ASN A 137 26.409 23.549 -7.290 1.00 1.17 O ATOM 2068 CB ASN A 137 26.655 26.345 -6.786 1.00 0.35 C ATOM 2069 CG ASN A 137 26.904 26.276 -8.294 1.00 1.29 C ATOM 2070 OD1 ASN A 137 27.509 25.339 -8.779 1.00 2.00 O ATOM 2071 ND2 ASN A 137 26.461 27.234 -9.061 1.00 2.23 N ATOM 0 H ASN A 137 28.844 25.628 -7.676 1.00 0.35 H new ATOM 0 HA ASN A 137 27.578 25.561 -5.021 1.00 0.36 H new ATOM 0 HB2 ASN A 137 25.600 26.170 -6.574 1.00 0.35 H new ATOM 0 HB3 ASN A 137 26.895 27.341 -6.413 1.00 0.35 H new ATOM 0 HD21 ASN A 137 26.622 27.197 -10.068 1.00 2.23 H new ATOM 0 HD22 ASN A 137 25.954 28.020 -8.654 1.00 2.23 H new ATOM 2078 N TYR A 138 26.913 23.159 -5.189 1.00 0.42 N ATOM 2079 CA TYR A 138 26.356 21.777 -5.215 1.00 0.38 C ATOM 2080 C TYR A 138 25.044 21.722 -6.022 1.00 0.36 C ATOM 2081 O TYR A 138 24.634 20.675 -6.475 1.00 0.30 O ATOM 2082 CB TYR A 138 26.086 21.354 -3.768 1.00 0.38 C ATOM 2083 CG TYR A 138 25.450 22.509 -3.027 1.00 0.31 C ATOM 2084 CD1 TYR A 138 24.104 22.806 -3.246 1.00 1.22 C ATOM 2085 CD2 TYR A 138 26.196 23.283 -2.126 1.00 1.67 C ATOM 2086 CE1 TYR A 138 23.496 23.866 -2.576 1.00 1.29 C ATOM 2087 CE2 TYR A 138 25.585 24.351 -1.454 1.00 1.60 C ATOM 2088 CZ TYR A 138 24.235 24.643 -1.680 1.00 0.13 C ATOM 2089 OH TYR A 138 23.631 25.692 -1.017 1.00 0.06 O ATOM 0 H TYR A 138 27.309 23.438 -4.291 1.00 0.42 H new ATOM 0 HA TYR A 138 27.069 21.106 -5.693 1.00 0.38 H new ATOM 0 HB2 TYR A 138 25.428 20.485 -3.746 1.00 0.38 H new ATOM 0 HB3 TYR A 138 27.017 21.061 -3.282 1.00 0.38 H new ATOM 0 HD1 TYR A 138 23.529 22.210 -3.940 1.00 1.22 H new ATOM 0 HD2 TYR A 138 27.237 23.057 -1.951 1.00 1.67 H new ATOM 0 HE1 TYR A 138 22.453 24.087 -2.749 1.00 1.29 H new ATOM 0 HE2 TYR A 138 26.157 24.950 -0.761 1.00 1.60 H new ATOM 0 HH TYR A 138 23.819 25.624 -0.058 1.00 0.06 H new ATOM 2099 N GLU A 139 24.388 22.839 -6.199 1.00 0.44 N ATOM 2100 CA GLU A 139 23.109 22.860 -6.959 1.00 0.46 C ATOM 2101 C GLU A 139 23.235 22.035 -8.251 1.00 0.39 C ATOM 2102 O GLU A 139 22.443 21.147 -8.498 1.00 0.43 O ATOM 2103 CB GLU A 139 22.750 24.334 -7.249 1.00 0.63 C ATOM 2104 CG GLU A 139 21.913 24.454 -8.519 1.00 0.97 C ATOM 2105 CD GLU A 139 21.249 25.831 -8.574 1.00 1.07 C ATOM 2106 OE1 GLU A 139 21.711 26.718 -7.874 1.00 1.23 O ATOM 2107 OE2 GLU A 139 20.291 25.978 -9.316 1.00 1.64 O ATOM 0 H GLU A 139 24.690 23.746 -5.844 1.00 0.44 H new ATOM 0 HA GLU A 139 22.309 22.404 -6.376 1.00 0.46 H new ATOM 0 HB2 GLU A 139 22.199 24.750 -6.406 1.00 0.63 H new ATOM 0 HB3 GLU A 139 23.663 24.920 -7.354 1.00 0.63 H new ATOM 0 HG2 GLU A 139 22.544 24.309 -9.396 1.00 0.97 H new ATOM 0 HG3 GLU A 139 21.153 23.673 -8.540 1.00 0.97 H new ATOM 2114 N GLU A 140 24.202 22.312 -9.079 1.00 0.31 N ATOM 2115 CA GLU A 140 24.327 21.524 -10.338 1.00 0.27 C ATOM 2116 C GLU A 140 24.657 20.070 -9.998 1.00 0.23 C ATOM 2117 O GLU A 140 24.169 19.144 -10.619 1.00 0.25 O ATOM 2118 CB GLU A 140 25.445 22.108 -11.204 1.00 0.23 C ATOM 2119 CG GLU A 140 25.410 21.455 -12.588 1.00 1.24 C ATOM 2120 CD GLU A 140 26.643 21.884 -13.388 1.00 1.71 C ATOM 2121 OE1 GLU A 140 27.525 22.485 -12.802 1.00 2.16 O ATOM 2122 OE2 GLU A 140 26.680 21.602 -14.574 1.00 2.41 O ATOM 0 H GLU A 140 24.903 23.040 -8.943 1.00 0.31 H new ATOM 0 HA GLU A 140 23.385 21.568 -10.885 1.00 0.27 H new ATOM 0 HB2 GLU A 140 25.323 23.187 -11.296 1.00 0.23 H new ATOM 0 HB3 GLU A 140 26.413 21.936 -10.733 1.00 0.23 H new ATOM 0 HG2 GLU A 140 25.387 20.370 -12.489 1.00 1.24 H new ATOM 0 HG3 GLU A 140 24.502 21.746 -13.116 1.00 1.24 H new ATOM 2129 N PHE A 141 25.495 19.861 -9.022 1.00 0.21 N ATOM 2130 CA PHE A 141 25.873 18.466 -8.656 1.00 0.22 C ATOM 2131 C PHE A 141 24.649 17.712 -8.100 1.00 0.23 C ATOM 2132 O PHE A 141 24.597 16.499 -8.157 1.00 0.31 O ATOM 2133 CB PHE A 141 27.025 18.493 -7.614 1.00 0.16 C ATOM 2134 CG PHE A 141 28.268 17.851 -8.197 1.00 0.14 C ATOM 2135 CD1 PHE A 141 28.345 16.460 -8.300 1.00 0.12 C ATOM 2136 CD2 PHE A 141 29.329 18.646 -8.645 1.00 0.21 C ATOM 2137 CE1 PHE A 141 29.486 15.862 -8.846 1.00 0.14 C ATOM 2138 CE2 PHE A 141 30.472 18.039 -9.193 1.00 0.19 C ATOM 2139 CZ PHE A 141 30.544 16.654 -9.290 1.00 0.14 C ATOM 0 H PHE A 141 25.934 20.592 -8.463 1.00 0.21 H new ATOM 0 HA PHE A 141 26.220 17.941 -9.546 1.00 0.22 H new ATOM 0 HB2 PHE A 141 27.239 19.521 -7.323 1.00 0.16 H new ATOM 0 HB3 PHE A 141 26.722 17.963 -6.711 1.00 0.16 H new ATOM 0 HD1 PHE A 141 27.524 15.847 -7.958 1.00 0.12 H new ATOM 0 HD2 PHE A 141 29.270 19.722 -8.570 1.00 0.21 H new ATOM 0 HE1 PHE A 141 29.547 14.787 -8.924 1.00 0.14 H new ATOM 0 HE2 PHE A 141 31.294 18.648 -9.539 1.00 0.19 H new ATOM 0 HZ PHE A 141 31.423 16.190 -9.711 1.00 0.14 H new ATOM 2149 N VAL A 142 23.670 18.395 -7.562 1.00 0.18 N ATOM 2150 CA VAL A 142 22.491 17.658 -7.020 1.00 0.27 C ATOM 2151 C VAL A 142 21.766 16.935 -8.159 1.00 0.36 C ATOM 2152 O VAL A 142 21.505 15.752 -8.088 1.00 0.52 O ATOM 2153 CB VAL A 142 21.517 18.631 -6.349 1.00 0.30 C ATOM 2154 CG1 VAL A 142 20.291 17.851 -5.858 1.00 0.40 C ATOM 2155 CG2 VAL A 142 22.212 19.337 -5.163 1.00 0.29 C ATOM 0 H VAL A 142 23.636 19.411 -7.476 1.00 0.18 H new ATOM 0 HA VAL A 142 22.842 16.935 -6.284 1.00 0.27 H new ATOM 0 HB VAL A 142 21.201 19.389 -7.066 1.00 0.30 H new ATOM 0 HG11 VAL A 142 19.592 18.536 -5.379 1.00 0.40 H new ATOM 0 HG12 VAL A 142 19.803 17.369 -6.705 1.00 0.40 H new ATOM 0 HG13 VAL A 142 20.605 17.093 -5.141 1.00 0.40 H new ATOM 0 HG21 VAL A 142 21.513 20.028 -4.691 1.00 0.29 H new ATOM 0 HG22 VAL A 142 22.535 18.593 -4.435 1.00 0.29 H new ATOM 0 HG23 VAL A 142 23.079 19.889 -5.526 1.00 0.29 H new ATOM 2165 N GLN A 143 21.434 17.642 -9.206 1.00 0.30 N ATOM 2166 CA GLN A 143 20.719 16.997 -10.346 1.00 0.39 C ATOM 2167 C GLN A 143 21.580 15.874 -10.926 1.00 0.41 C ATOM 2168 O GLN A 143 21.076 14.920 -11.487 1.00 0.48 O ATOM 2169 CB GLN A 143 20.446 18.039 -11.435 1.00 0.43 C ATOM 2170 CG GLN A 143 19.326 18.974 -10.981 1.00 0.55 C ATOM 2171 CD GLN A 143 19.259 20.183 -11.917 1.00 0.85 C ATOM 2172 OE1 GLN A 143 19.443 21.306 -11.490 1.00 1.62 O ATOM 2173 NE2 GLN A 143 19.000 19.999 -13.182 1.00 2.09 N ATOM 0 H GLN A 143 21.627 18.637 -9.321 1.00 0.30 H new ATOM 0 HA GLN A 143 19.775 16.584 -9.990 1.00 0.39 H new ATOM 0 HB2 GLN A 143 21.351 18.611 -11.640 1.00 0.43 H new ATOM 0 HB3 GLN A 143 20.165 17.543 -12.364 1.00 0.43 H new ATOM 0 HG2 GLN A 143 18.373 18.445 -10.984 1.00 0.55 H new ATOM 0 HG3 GLN A 143 19.505 19.303 -9.957 1.00 0.55 H new ATOM 0 HE21 GLN A 143 18.846 19.056 -13.539 1.00 2.09 H new ATOM 0 HE22 GLN A 143 18.952 20.798 -13.814 1.00 2.09 H new ATOM 2182 N MET A 144 22.874 15.981 -10.806 1.00 0.37 N ATOM 2183 CA MET A 144 23.763 14.918 -11.363 1.00 0.44 C ATOM 2184 C MET A 144 23.560 13.607 -10.596 1.00 0.41 C ATOM 2185 O MET A 144 23.544 12.540 -11.174 1.00 0.51 O ATOM 2186 CB MET A 144 25.232 15.363 -11.251 1.00 0.42 C ATOM 2187 CG MET A 144 25.620 16.236 -12.452 1.00 0.56 C ATOM 2188 SD MET A 144 27.092 17.205 -12.042 1.00 0.72 S ATOM 2189 CE MET A 144 27.248 18.095 -13.612 1.00 0.67 C ATOM 0 H MET A 144 23.355 16.755 -10.348 1.00 0.37 H new ATOM 0 HA MET A 144 23.512 14.757 -12.411 1.00 0.44 H new ATOM 0 HB2 MET A 144 25.380 15.920 -10.326 1.00 0.42 H new ATOM 0 HB3 MET A 144 25.881 14.488 -11.204 1.00 0.42 H new ATOM 0 HG2 MET A 144 25.815 15.610 -13.323 1.00 0.56 H new ATOM 0 HG3 MET A 144 24.796 16.900 -12.714 1.00 0.56 H new ATOM 0 HE1 MET A 144 28.032 18.848 -13.527 1.00 0.67 H new ATOM 0 HE2 MET A 144 27.504 17.392 -14.405 1.00 0.67 H new ATOM 0 HE3 MET A 144 26.302 18.582 -13.850 1.00 0.67 H new ATOM 2199 N MET A 145 23.417 13.673 -9.301 1.00 0.30 N ATOM 2200 CA MET A 145 23.233 12.419 -8.518 1.00 0.31 C ATOM 2201 C MET A 145 21.851 11.823 -8.801 1.00 0.40 C ATOM 2202 O MET A 145 21.645 10.633 -8.676 1.00 0.52 O ATOM 2203 CB MET A 145 23.383 12.716 -7.015 1.00 0.27 C ATOM 2204 CG MET A 145 24.839 13.149 -6.691 1.00 0.20 C ATOM 2205 SD MET A 145 25.458 12.226 -5.254 1.00 0.16 S ATOM 2206 CE MET A 145 24.504 13.075 -3.971 1.00 0.16 C ATOM 0 H MET A 145 23.419 14.534 -8.754 1.00 0.30 H new ATOM 0 HA MET A 145 23.994 11.698 -8.815 1.00 0.31 H new ATOM 0 HB2 MET A 145 22.689 13.504 -6.723 1.00 0.27 H new ATOM 0 HB3 MET A 145 23.123 11.831 -6.435 1.00 0.27 H new ATOM 0 HG2 MET A 145 25.481 12.969 -7.553 1.00 0.20 H new ATOM 0 HG3 MET A 145 24.872 14.219 -6.488 1.00 0.20 H new ATOM 0 HE1 MET A 145 25.095 13.133 -3.057 1.00 0.16 H new ATOM 0 HE2 MET A 145 24.257 14.082 -4.308 1.00 0.16 H new ATOM 0 HE3 MET A 145 23.585 12.522 -3.775 1.00 0.16 H new ATOM 2216 N THR A 146 20.895 12.633 -9.184 1.00 0.36 N ATOM 2217 CA THR A 146 19.541 12.118 -9.472 1.00 0.45 C ATOM 2218 C THR A 146 19.426 11.840 -10.968 1.00 0.73 C ATOM 2219 O THR A 146 18.350 11.790 -11.531 1.00 1.68 O ATOM 2220 CB THR A 146 18.566 13.206 -9.047 1.00 0.19 C ATOM 2221 OG1 THR A 146 19.185 14.472 -9.215 1.00 0.04 O ATOM 2222 CG2 THR A 146 18.212 13.009 -7.582 1.00 0.63 C ATOM 0 H THR A 146 21.007 13.639 -9.308 1.00 0.36 H new ATOM 0 HA THR A 146 19.330 11.191 -8.940 1.00 0.45 H new ATOM 0 HB THR A 146 17.662 13.155 -9.653 1.00 0.19 H new ATOM 0 HG1 THR A 146 18.631 15.165 -8.799 1.00 0.04 H new ATOM 0 HG21 THR A 146 17.513 13.785 -7.269 1.00 0.63 H new ATOM 0 HG22 THR A 146 17.752 12.030 -7.447 1.00 0.63 H new ATOM 0 HG23 THR A 146 19.117 13.070 -6.978 1.00 0.63 H new ATOM 2230 N ALA A 147 20.540 11.659 -11.603 1.00 0.91 N ATOM 2231 CA ALA A 147 20.549 11.377 -13.071 1.00 0.98 C ATOM 2232 C ALA A 147 20.512 9.882 -13.298 1.00 1.81 C ATOM 2233 O ALA A 147 20.843 9.372 -14.349 1.00 3.14 O ATOM 2234 CB ALA A 147 21.819 11.938 -13.679 1.00 3.18 C ATOM 0 H ALA A 147 21.462 11.693 -11.169 1.00 0.91 H new ATOM 0 HA ALA A 147 19.678 11.840 -13.535 1.00 0.98 H new ATOM 0 HB1 ALA A 147 21.830 11.735 -14.750 1.00 3.18 H new ATOM 0 HB2 ALA A 147 21.857 13.015 -13.514 1.00 3.18 H new ATOM 0 HB3 ALA A 147 22.684 11.468 -13.211 1.00 3.18 H new ATOM 2240 N LYS A 148 20.105 9.196 -12.302 1.00 2.69 N ATOM 2241 CA LYS A 148 20.013 7.708 -12.377 1.00 4.73 C ATOM 2242 C LYS A 148 18.718 7.315 -13.091 1.00 5.42 C ATOM 2243 O LYS A 148 18.737 6.332 -13.813 1.00 5.69 O ATOM 2244 CB LYS A 148 20.013 7.115 -10.961 1.00 6.19 C ATOM 2245 CG LYS A 148 21.412 7.244 -10.326 1.00 5.77 C ATOM 2246 CD LYS A 148 22.289 6.032 -10.699 1.00 6.22 C ATOM 2247 CE LYS A 148 21.749 4.742 -10.049 1.00 7.71 C ATOM 2248 NZ LYS A 148 20.930 3.992 -11.046 1.00 8.18 N ATOM 2249 OXT LYS A 148 17.729 8.003 -12.903 1.00 5.85 O ATOM 0 H LYS A 148 19.820 9.596 -11.408 1.00 2.69 H new ATOM 0 HA LYS A 148 20.870 7.322 -12.929 1.00 4.73 H new ATOM 0 HB2 LYS A 148 19.277 7.630 -10.344 1.00 6.19 H new ATOM 0 HB3 LYS A 148 19.719 6.066 -10.999 1.00 6.19 H new ATOM 0 HG2 LYS A 148 21.889 8.163 -10.666 1.00 5.77 H new ATOM 0 HG3 LYS A 148 21.321 7.314 -9.242 1.00 5.77 H new ATOM 0 HD2 LYS A 148 22.314 5.915 -11.782 1.00 6.22 H new ATOM 0 HD3 LYS A 148 23.315 6.206 -10.374 1.00 6.22 H new ATOM 0 HE2 LYS A 148 22.576 4.123 -9.701 1.00 7.71 H new ATOM 0 HE3 LYS A 148 21.145 4.987 -9.175 1.00 7.71 H new ATOM 0 HZ1 LYS A 148 19.973 3.844 -10.668 1.00 8.18 H new ATOM 0 HZ2 LYS A 148 20.873 4.538 -11.929 1.00 8.18 H new ATOM 0 HZ3 LYS A 148 21.373 3.071 -11.237 1.00 8.18 H new TER 2263 LYS A 148