USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 674 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 MET CE :methyl -169:sc= -6.64! (180deg=-7.33!) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.341 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.55 K(o=-0.59,f=-3.4!) USER MOD Set 3.2: A 89 ASN : amide:sc= -0.0371 K(o=-0.59,f=-2.2) USER MOD Set 4.1: A 68 HIS : no HE2:sc= -2.39! C(o=-2.5!,f=-4.6!) USER MOD Set 4.2: A 69 THR OG1 : rot 180:sc= -0.113 USER MOD Set 5.1: A 65 ASN : amide:sc= 0.895 K(o=2.1,f=-4.5!) USER MOD Set 5.2: A 71 THR OG1 : rot -104:sc= 1.2 USER MOD Set 6.1: A 40 TYR OH : rot 180:sc= 0.359 USER MOD Set 6.2: A 113 SER OG : rot 167:sc= 0.386 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 2 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.33) USER MOD Single : A 7 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0.33) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.518 K(o=0.52,f=-7.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=-0.00049) USER MOD Single : A 31 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.000271 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.213 F(o=-2.2!,f=-0.21) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.1!) USER MOD Single : A 45 ASN : amide:sc= -5.04! C(o=-5!,f=-7.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.373 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0774) USER MOD Single : A 62 THR OG1 : rot 41:sc= 0.07 USER MOD Single : A 73 SER OG : rot -145:sc= -0.461! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.544 F(o=-1.6!,f=-0.54) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.576 K(o=0.58,f=-2!) USER MOD Single : A 84 SER OG : rot -90:sc= -2 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.32! C(o=-1.3!,f=-4.1!) USER MOD Single : A 95 SER OG : rot -170:sc=-0.00414 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 5:sc= 0.517 USER MOD Single : A 106 ASN : amide:sc= 0.477 K(o=0.48,f=-0.057) USER MOD Single : A 109 HIS : no HE2:sc= 1.05 K(o=1,f=-4.6!) USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= -0.0291 (180deg=-0.183) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0.00218 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.294 -5.834 -0.656 1.00 0.00 N ATOM 2 CA MET A 1 17.116 -6.415 -1.336 1.00 0.00 C ATOM 3 C MET A 1 15.918 -5.493 -1.200 1.00 0.00 C ATOM 4 O MET A 1 15.639 -4.976 -0.116 1.00 0.00 O ATOM 5 CB MET A 1 16.780 -7.786 -0.747 1.00 0.00 C ATOM 6 CG MET A 1 17.777 -8.871 -1.115 1.00 0.00 C ATOM 7 SD MET A 1 17.361 -10.470 -0.393 1.00 0.00 S ATOM 8 CE MET A 1 18.644 -11.502 -1.101 1.00 0.00 C ATOM 0 H1 MET A 1 19.126 -6.434 -0.829 1.00 0.00 H new ATOM 0 H2 MET A 1 18.473 -4.879 -1.027 1.00 0.00 H new ATOM 0 H3 MET A 1 18.113 -5.780 0.367 1.00 0.00 H new ATOM 0 HA MET A 1 17.356 -6.533 -2.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.732 -7.703 0.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.789 -8.085 -1.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.820 -8.967 -2.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.771 -8.574 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.523 -12.526 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.569 -11.481 -2.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.621 -11.127 -0.797 1.00 0.00 H new ATOM 18 N GLN A 2 15.216 -5.288 -2.306 1.00 0.00 N ATOM 19 CA GLN A 2 14.038 -4.433 -2.319 1.00 0.00 C ATOM 20 C GLN A 2 12.873 -5.135 -1.627 1.00 0.00 C ATOM 21 O GLN A 2 12.919 -6.349 -1.416 1.00 0.00 O ATOM 22 CB GLN A 2 13.659 -4.051 -3.759 1.00 0.00 C ATOM 23 CG GLN A 2 14.494 -2.921 -4.359 1.00 0.00 C ATOM 24 CD GLN A 2 15.973 -3.251 -4.472 1.00 0.00 C ATOM 25 OE1 GLN A 2 16.755 -2.989 -3.556 1.00 0.00 O ATOM 26 NE2 GLN A 2 16.371 -3.821 -5.598 1.00 0.00 N ATOM 0 H GLN A 2 15.443 -5.704 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 2 14.268 -3.517 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.757 -4.933 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.609 -3.759 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.107 -2.681 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.375 -2.028 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.695 -4.023 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.354 -4.059 -5.730 1.00 0.00 H new ATOM 33 N CYS A 3 11.847 -4.382 -1.257 1.00 0.00 N ATOM 34 CA CYS A 3 10.693 -4.968 -0.584 1.00 0.00 C ATOM 35 C CYS A 3 9.878 -5.811 -1.559 1.00 0.00 C ATOM 36 O CYS A 3 9.895 -7.039 -1.477 1.00 0.00 O ATOM 37 CB CYS A 3 9.824 -3.884 0.055 1.00 0.00 C ATOM 38 SG CYS A 3 10.658 -2.939 1.374 1.00 0.00 S ATOM 0 H CYS A 3 11.788 -3.375 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 3 11.056 -5.618 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.497 -3.192 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.928 -4.348 0.467 1.00 0.00 H new ATOM 42 N ASN A 4 9.177 -5.141 -2.480 1.00 0.00 N ATOM 43 CA ASN A 4 8.363 -5.811 -3.495 1.00 0.00 C ATOM 44 C ASN A 4 7.393 -6.806 -2.867 1.00 0.00 C ATOM 45 O ASN A 4 7.612 -8.013 -2.928 1.00 0.00 O ATOM 46 CB ASN A 4 9.250 -6.532 -4.524 1.00 0.00 C ATOM 47 CG ASN A 4 10.137 -5.595 -5.326 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.642 -4.597 -4.815 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.316 -5.906 -6.601 1.00 0.00 N ATOM 0 H ASN A 4 9.159 -4.123 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 4 7.785 -5.039 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.877 -7.257 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.614 -7.093 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.890 -5.309 -7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.880 -6.743 -6.988 1.00 0.00 H new ATOM 55 N PHE A 5 6.312 -6.307 -2.271 1.00 0.00 N ATOM 56 CA PHE A 5 5.330 -7.188 -1.645 1.00 0.00 C ATOM 57 C PHE A 5 4.778 -8.181 -2.675 1.00 0.00 C ATOM 58 O PHE A 5 4.710 -9.380 -2.427 1.00 0.00 O ATOM 59 CB PHE A 5 4.191 -6.383 -0.994 1.00 0.00 C ATOM 60 CG PHE A 5 3.182 -5.813 -1.953 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.493 -4.730 -2.759 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.916 -6.369 -2.046 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.560 -4.218 -3.640 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.981 -5.859 -2.924 1.00 0.00 C ATOM 65 CZ PHE A 5 1.302 -4.783 -3.720 1.00 0.00 C ATOM 0 H PHE A 5 6.096 -5.312 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 5 5.829 -7.747 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.671 -7.027 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.627 -5.565 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.474 -4.282 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.658 -7.213 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.814 -3.376 -4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.001 -6.304 -2.986 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.571 -4.381 -4.406 1.00 0.00 H new ATOM 74 N ALA A 6 4.464 -7.664 -3.859 1.00 0.00 N ATOM 75 CA ALA A 6 3.906 -8.458 -4.952 1.00 0.00 C ATOM 76 C ALA A 6 4.857 -9.557 -5.424 1.00 0.00 C ATOM 77 O ALA A 6 4.427 -10.542 -6.022 1.00 0.00 O ATOM 78 CB ALA A 6 3.563 -7.545 -6.114 1.00 0.00 C ATOM 0 H ALA A 6 4.589 -6.678 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 6 3.009 -8.949 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.147 -8.136 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.831 -6.805 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.465 -7.038 -6.457 1.00 0.00 H new ATOM 84 N ASN A 7 6.141 -9.388 -5.139 1.00 0.00 N ATOM 85 CA ASN A 7 7.168 -10.344 -5.554 1.00 0.00 C ATOM 86 C ASN A 7 6.880 -11.744 -5.015 1.00 0.00 C ATOM 87 O ASN A 7 7.234 -12.742 -5.636 1.00 0.00 O ATOM 88 CB ASN A 7 8.537 -9.874 -5.057 1.00 0.00 C ATOM 89 CG ASN A 7 9.702 -10.439 -5.849 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.633 -11.535 -6.406 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.790 -9.686 -5.900 1.00 0.00 N ATOM 0 H ASN A 7 6.502 -8.590 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 7 7.163 -10.394 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.575 -8.785 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.650 -10.156 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.610 -10.009 -6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.808 -8.783 -5.425 1.00 0.00 H new ATOM 97 N SER A 8 6.222 -11.820 -3.867 1.00 0.00 N ATOM 98 CA SER A 8 5.917 -13.112 -3.268 1.00 0.00 C ATOM 99 C SER A 8 4.462 -13.193 -2.817 1.00 0.00 C ATOM 100 O SER A 8 4.098 -14.066 -2.028 1.00 0.00 O ATOM 101 CB SER A 8 6.836 -13.344 -2.077 1.00 0.00 C ATOM 102 OG SER A 8 8.194 -13.110 -2.418 1.00 0.00 O ATOM 0 H SER A 8 5.892 -11.013 -3.337 1.00 0.00 H new ATOM 0 HA SER A 8 6.076 -13.883 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.546 -12.686 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.720 -14.367 -1.720 1.00 0.00 H new ATOM 0 HG SER A 8 8.760 -13.265 -1.633 1.00 0.00 H new ATOM 107 N CYS A 9 3.630 -12.301 -3.324 1.00 0.00 N ATOM 108 CA CYS A 9 2.223 -12.277 -2.950 1.00 0.00 C ATOM 109 C CYS A 9 1.342 -12.532 -4.165 1.00 0.00 C ATOM 110 O CYS A 9 1.558 -11.958 -5.230 1.00 0.00 O ATOM 111 CB CYS A 9 1.881 -10.935 -2.297 1.00 0.00 C ATOM 112 SG CYS A 9 2.751 -10.622 -0.719 1.00 0.00 S ATOM 0 H CYS A 9 3.902 -11.583 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 9 2.034 -13.072 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.120 -10.133 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.806 -10.894 -2.120 1.00 0.00 H new ATOM 116 N THR A 10 0.363 -13.414 -4.001 1.00 0.00 N ATOM 117 CA THR A 10 -0.544 -13.765 -5.083 1.00 0.00 C ATOM 118 C THR A 10 -2.002 -13.692 -4.644 1.00 0.00 C ATOM 119 O THR A 10 -2.318 -13.929 -3.475 1.00 0.00 O ATOM 120 CB THR A 10 -0.249 -15.184 -5.604 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.132 -16.099 -4.499 1.00 0.00 O ATOM 122 CG2 THR A 10 1.028 -15.200 -6.426 1.00 0.00 C ATOM 0 H THR A 10 0.178 -13.900 -3.124 1.00 0.00 H new ATOM 0 HA THR A 10 -0.382 -13.039 -5.879 1.00 0.00 H new ATOM 0 HB THR A 10 -1.075 -15.495 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.054 -16.999 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.218 -16.212 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.921 -14.528 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.863 -14.872 -5.807 1.00 0.00 H new ATOM 130 N GLY A 11 -2.880 -13.365 -5.588 1.00 0.00 N ATOM 131 CA GLY A 11 -4.300 -13.273 -5.299 1.00 0.00 C ATOM 132 C GLY A 11 -4.625 -12.160 -4.323 1.00 0.00 C ATOM 133 O GLY A 11 -5.388 -12.358 -3.378 1.00 0.00 O ATOM 0 H GLY A 11 -2.630 -13.161 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.846 -13.108 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.646 -14.222 -4.890 1.00 0.00 H new ATOM 137 N VAL A 12 -4.038 -10.992 -4.543 1.00 0.00 N ATOM 138 CA VAL A 12 -4.270 -9.846 -3.672 1.00 0.00 C ATOM 139 C VAL A 12 -5.483 -9.035 -4.130 1.00 0.00 C ATOM 140 O VAL A 12 -5.659 -8.769 -5.324 1.00 0.00 O ATOM 141 CB VAL A 12 -3.027 -8.932 -3.589 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.900 -9.632 -2.848 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.566 -8.512 -4.973 1.00 0.00 C ATOM 0 H VAL A 12 -3.398 -10.812 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.471 -10.242 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.306 -8.035 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.033 -8.974 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.226 -9.878 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.631 -10.547 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.690 -7.869 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.310 -9.397 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.367 -7.967 -5.474 1.00 0.00 H new ATOM 153 N GLU A 13 -6.320 -8.659 -3.173 1.00 0.00 N ATOM 154 CA GLU A 13 -7.527 -7.887 -3.452 1.00 0.00 C ATOM 155 C GLU A 13 -7.596 -6.668 -2.535 1.00 0.00 C ATOM 156 O GLU A 13 -6.999 -6.669 -1.457 1.00 0.00 O ATOM 157 CB GLU A 13 -8.766 -8.768 -3.272 1.00 0.00 C ATOM 158 CG GLU A 13 -8.727 -10.033 -4.118 1.00 0.00 C ATOM 159 CD GLU A 13 -9.954 -10.900 -3.957 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.997 -11.718 -3.013 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.871 -10.791 -4.795 1.00 0.00 O ATOM 0 H GLU A 13 -6.184 -8.878 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.496 -7.539 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.859 -9.043 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.655 -8.192 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.622 -9.757 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.844 -10.613 -3.851 1.00 0.00 H new ATOM 166 N LEU A 14 -8.326 -5.638 -2.958 1.00 0.00 N ATOM 167 CA LEU A 14 -8.442 -4.409 -2.177 1.00 0.00 C ATOM 168 C LEU A 14 -9.890 -3.977 -2.001 1.00 0.00 C ATOM 169 O LEU A 14 -10.622 -3.808 -2.973 1.00 0.00 O ATOM 170 CB LEU A 14 -7.647 -3.290 -2.855 1.00 0.00 C ATOM 171 CG LEU A 14 -7.802 -1.883 -2.259 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.581 -1.886 -0.753 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.825 -0.944 -2.923 1.00 0.00 C ATOM 0 H LEU A 14 -8.845 -5.630 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.036 -4.609 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.591 -3.557 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.940 -3.251 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.822 -1.545 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.699 -0.874 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.311 -2.543 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.575 -2.244 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.935 0.054 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.808 -1.299 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.025 -0.908 -3.994 1.00 0.00 H new ATOM 184 N TYR A 15 -10.293 -3.797 -0.751 1.00 0.00 N ATOM 185 CA TYR A 15 -11.642 -3.355 -0.434 1.00 0.00 C ATOM 186 C TYR A 15 -11.593 -2.120 0.463 1.00 0.00 C ATOM 187 O TYR A 15 -11.377 -2.229 1.671 1.00 0.00 O ATOM 188 CB TYR A 15 -12.430 -4.474 0.253 1.00 0.00 C ATOM 189 CG TYR A 15 -12.616 -5.701 -0.610 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.674 -5.787 -1.506 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.728 -6.767 -0.537 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.842 -6.901 -2.303 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.888 -7.883 -1.336 1.00 0.00 C ATOM 194 CZ TYR A 15 -12.947 -7.944 -2.216 1.00 0.00 C ATOM 195 OH TYR A 15 -13.108 -9.050 -3.015 1.00 0.00 O ATOM 0 H TYR A 15 -9.700 -3.952 0.064 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.148 -3.098 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.915 -4.760 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.409 -4.092 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.376 -4.970 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.900 -6.723 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.672 -6.955 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.187 -8.702 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.392 -9.693 -2.831 1.00 0.00 H new ATOM 204 N GLY A 16 -11.761 -0.947 -0.138 1.00 0.00 N ATOM 205 CA GLY A 16 -11.738 0.298 0.617 1.00 0.00 C ATOM 206 C GLY A 16 -10.333 0.739 0.984 1.00 0.00 C ATOM 207 O GLY A 16 -9.881 1.804 0.578 1.00 0.00 O ATOM 0 H GLY A 16 -11.914 -0.833 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.218 1.082 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.325 0.176 1.527 1.00 0.00 H new ATOM 211 N TYR A 17 -9.650 -0.077 1.771 1.00 0.00 N ATOM 212 CA TYR A 17 -8.286 0.208 2.205 1.00 0.00 C ATOM 213 C TYR A 17 -7.664 -1.035 2.832 1.00 0.00 C ATOM 214 O TYR A 17 -6.748 -0.948 3.655 1.00 0.00 O ATOM 215 CB TYR A 17 -8.262 1.385 3.196 1.00 0.00 C ATOM 216 CG TYR A 17 -9.232 1.258 4.357 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.900 0.537 5.498 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.477 1.877 4.314 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.779 0.432 6.559 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.362 1.775 5.370 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.008 1.053 6.489 1.00 0.00 C ATOM 222 OH TYR A 17 -11.889 0.952 7.543 1.00 0.00 O ATOM 0 H TYR A 17 -10.023 -0.956 2.129 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.697 0.491 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.252 1.487 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.485 2.304 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.938 0.050 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.757 2.447 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.505 -0.133 7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.326 2.259 5.319 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.708 1.448 7.333 1.00 0.00 H new ATOM 231 N ILE A 18 -8.166 -2.193 2.427 1.00 0.00 N ATOM 232 CA ILE A 18 -7.689 -3.465 2.947 1.00 0.00 C ATOM 233 C ILE A 18 -7.123 -4.326 1.827 1.00 0.00 C ATOM 234 O ILE A 18 -7.851 -4.712 0.912 1.00 0.00 O ATOM 235 CB ILE A 18 -8.829 -4.236 3.637 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.649 -3.280 4.504 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.269 -5.382 4.472 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.859 -3.922 5.147 1.00 0.00 C ATOM 0 H ILE A 18 -8.910 -2.277 1.734 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.905 -3.249 3.673 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.482 -4.663 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.007 -2.873 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.978 -2.440 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.089 -5.916 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.718 -6.067 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.599 -4.983 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.389 -3.181 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.523 -4.305 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.538 -4.743 5.787 1.00 0.00 H new ATOM 249 N LEU A 19 -5.829 -4.600 1.891 1.00 0.00 N ATOM 250 CA LEU A 19 -5.172 -5.426 0.892 1.00 0.00 C ATOM 251 C LEU A 19 -4.928 -6.804 1.469 1.00 0.00 C ATOM 252 O LEU A 19 -4.138 -6.956 2.392 1.00 0.00 O ATOM 253 CB LEU A 19 -3.826 -4.817 0.483 1.00 0.00 C ATOM 254 CG LEU A 19 -3.577 -4.719 -1.021 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.613 -6.092 -1.671 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.598 -3.802 -1.653 1.00 0.00 C ATOM 0 H LEU A 19 -5.211 -4.260 2.628 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.815 -5.487 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.755 -3.817 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.028 -5.412 0.928 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.582 -4.303 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.433 -5.993 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.842 -6.724 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.590 -6.546 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.414 -3.737 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.599 -4.197 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.519 -2.809 -1.210 1.00 0.00 H new ATOM 267 N ARG A 20 -5.586 -7.805 0.935 1.00 0.00 N ATOM 268 CA ARG A 20 -5.397 -9.150 1.432 1.00 0.00 C ATOM 269 C ARG A 20 -4.947 -10.053 0.304 1.00 0.00 C ATOM 270 O ARG A 20 -5.389 -9.901 -0.833 1.00 0.00 O ATOM 271 CB ARG A 20 -6.678 -9.702 2.052 1.00 0.00 C ATOM 272 CG ARG A 20 -6.457 -11.012 2.789 1.00 0.00 C ATOM 273 CD ARG A 20 -7.570 -12.004 2.515 1.00 0.00 C ATOM 274 NE ARG A 20 -8.862 -11.541 3.009 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.891 -12.348 3.243 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.777 -13.652 3.014 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.033 -11.850 3.695 1.00 0.00 N ATOM 0 H ARG A 20 -6.250 -7.718 0.165 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.632 -9.118 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.088 -8.966 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.421 -9.852 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.503 -11.443 2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.395 -10.821 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.637 -12.183 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.326 -12.958 2.983 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.982 -10.543 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.900 -14.033 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.567 -14.272 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.121 -10.848 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.824 -12.469 3.875 1.00 0.00 H new ATOM 288 N GLY A 21 -4.062 -10.977 0.620 1.00 0.00 N ATOM 289 CA GLY A 21 -3.572 -11.895 -0.379 1.00 0.00 C ATOM 290 C GLY A 21 -2.759 -13.010 0.224 1.00 0.00 C ATOM 291 O GLY A 21 -2.570 -13.061 1.442 1.00 0.00 O ATOM 0 H GLY A 21 -3.672 -11.109 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.415 -12.317 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.962 -11.352 -1.101 1.00 0.00 H new ATOM 295 N ASP A 22 -2.281 -13.900 -0.624 1.00 0.00 N ATOM 296 CA ASP A 22 -1.477 -15.023 -0.182 1.00 0.00 C ATOM 297 C ASP A 22 -0.012 -14.762 -0.472 1.00 0.00 C ATOM 298 O ASP A 22 0.409 -14.792 -1.628 1.00 0.00 O ATOM 299 CB ASP A 22 -1.908 -16.309 -0.888 1.00 0.00 C ATOM 300 CG ASP A 22 -3.233 -16.844 -0.385 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.252 -17.513 0.671 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.263 -16.615 -1.054 1.00 0.00 O ATOM 0 H ASP A 22 -2.437 -13.866 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.623 -15.141 0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.981 -16.122 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.139 -17.069 -0.749 1.00 0.00 H new ATOM 306 N CYS A 23 0.765 -14.511 0.563 1.00 0.00 N ATOM 307 CA CYS A 23 2.177 -14.254 0.382 1.00 0.00 C ATOM 308 C CYS A 23 2.970 -15.466 0.846 1.00 0.00 C ATOM 309 O CYS A 23 2.752 -15.988 1.935 1.00 0.00 O ATOM 310 CB CYS A 23 2.580 -13.002 1.159 1.00 0.00 C ATOM 311 SG CYS A 23 1.614 -11.525 0.697 1.00 0.00 S ATOM 0 H CYS A 23 0.444 -14.480 1.531 1.00 0.00 H new ATOM 0 HA CYS A 23 2.391 -14.080 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.457 -13.189 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.638 -12.803 0.990 1.00 0.00 H new ATOM 315 N ILE A 24 3.902 -15.899 0.020 1.00 0.00 N ATOM 316 CA ILE A 24 4.703 -17.072 0.319 1.00 0.00 C ATOM 317 C ILE A 24 5.761 -16.777 1.370 1.00 0.00 C ATOM 318 O ILE A 24 6.421 -15.738 1.340 1.00 0.00 O ATOM 319 CB ILE A 24 5.369 -17.619 -0.960 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.299 -17.923 -2.012 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.184 -18.864 -0.654 1.00 0.00 C ATOM 322 CD1 ILE A 24 4.851 -18.506 -3.296 1.00 0.00 C ATOM 0 H ILE A 24 4.125 -15.453 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 24 4.030 -17.829 0.721 1.00 0.00 H new ATOM 0 HB ILE A 24 6.048 -16.862 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.575 -18.620 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.759 -17.005 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.644 -19.232 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.962 -18.621 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.532 -19.634 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.033 -18.694 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.553 -17.802 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.365 -19.442 -3.079 1.00 0.00 H new ATOM 333 N ASN A 25 5.896 -17.695 2.308 1.00 0.00 N ATOM 334 CA ASN A 25 6.868 -17.562 3.377 1.00 0.00 C ATOM 335 C ASN A 25 8.066 -18.461 3.087 1.00 0.00 C ATOM 336 O ASN A 25 8.132 -19.063 2.017 1.00 0.00 O ATOM 337 CB ASN A 25 6.225 -17.921 4.724 1.00 0.00 C ATOM 338 CG ASN A 25 6.058 -19.409 4.938 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.887 -20.045 5.576 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.992 -19.973 4.397 1.00 0.00 N ATOM 0 H ASN A 25 5.339 -18.549 2.351 1.00 0.00 H new ATOM 0 HA ASN A 25 7.211 -16.529 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.836 -17.513 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.249 -17.441 4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.836 -20.975 4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.326 -19.406 3.873 1.00 0.00 H new ATOM 346 N GLU A 26 8.991 -18.562 4.031 1.00 0.00 N ATOM 347 CA GLU A 26 10.183 -19.389 3.866 1.00 0.00 C ATOM 348 C GLU A 26 9.823 -20.836 3.510 1.00 0.00 C ATOM 349 O GLU A 26 10.507 -21.482 2.709 1.00 0.00 O ATOM 350 CB GLU A 26 11.011 -19.353 5.150 1.00 0.00 C ATOM 351 CG GLU A 26 12.178 -20.320 5.143 1.00 0.00 C ATOM 352 CD GLU A 26 13.026 -20.220 6.387 1.00 0.00 C ATOM 353 OE1 GLU A 26 12.572 -20.669 7.458 1.00 0.00 O ATOM 354 OE2 GLU A 26 14.153 -19.688 6.296 1.00 0.00 O ATOM 0 H GLU A 26 8.940 -18.078 4.927 1.00 0.00 H new ATOM 0 HA GLU A 26 10.767 -18.983 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.388 -18.342 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.364 -19.582 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.800 -21.338 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.799 -20.127 4.268 1.00 0.00 H new ATOM 359 N ASP A 27 8.735 -21.327 4.094 1.00 0.00 N ATOM 360 CA ASP A 27 8.264 -22.690 3.861 1.00 0.00 C ATOM 361 C ASP A 27 7.960 -22.938 2.388 1.00 0.00 C ATOM 362 O ASP A 27 8.052 -24.064 1.908 1.00 0.00 O ATOM 363 CB ASP A 27 7.013 -22.952 4.696 1.00 0.00 C ATOM 364 CG ASP A 27 6.423 -24.326 4.465 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.969 -25.313 5.002 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.409 -24.421 3.750 1.00 0.00 O ATOM 0 H ASP A 27 8.155 -20.793 4.741 1.00 0.00 H new ATOM 0 HA ASP A 27 9.059 -23.374 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.259 -22.841 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.263 -22.197 4.462 1.00 0.00 H new ATOM 370 N GLY A 28 7.607 -21.880 1.675 1.00 0.00 N ATOM 371 CA GLY A 28 7.293 -22.012 0.267 1.00 0.00 C ATOM 372 C GLY A 28 5.803 -22.076 0.027 1.00 0.00 C ATOM 373 O GLY A 28 5.346 -22.205 -1.110 1.00 0.00 O ATOM 0 H GLY A 28 7.532 -20.932 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.713 -21.168 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.763 -22.913 -0.127 1.00 0.00 H new ATOM 377 N HIS A 29 5.044 -21.976 1.105 1.00 0.00 N ATOM 378 CA HIS A 29 3.594 -22.021 1.029 1.00 0.00 C ATOM 379 C HIS A 29 2.990 -20.637 1.244 1.00 0.00 C ATOM 380 O HIS A 29 3.467 -19.850 2.066 1.00 0.00 O ATOM 381 CB HIS A 29 3.054 -23.056 2.038 1.00 0.00 C ATOM 382 CG HIS A 29 1.954 -22.592 2.959 1.00 0.00 C ATOM 383 ND1 HIS A 29 0.620 -22.830 2.721 1.00 0.00 N ATOM 384 CD2 HIS A 29 2.009 -21.939 4.144 1.00 0.00 C ATOM 385 CE1 HIS A 29 -0.096 -22.350 3.720 1.00 0.00 C ATOM 386 NE2 HIS A 29 0.723 -21.803 4.599 1.00 0.00 N ATOM 0 H HIS A 29 5.411 -21.862 2.050 1.00 0.00 H new ATOM 0 HA HIS A 29 3.296 -22.337 0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.689 -23.918 1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.887 -23.402 2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.902 -21.589 4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.172 -22.397 3.804 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.445 -21.354 5.472 1.00 0.00 H new ATOM 394 N PRO A 30 1.949 -20.331 0.464 1.00 0.00 N ATOM 395 CA PRO A 30 1.227 -19.055 0.538 1.00 0.00 C ATOM 396 C PRO A 30 0.525 -18.859 1.880 1.00 0.00 C ATOM 397 O PRO A 30 -0.308 -19.668 2.285 1.00 0.00 O ATOM 398 CB PRO A 30 0.197 -19.160 -0.592 1.00 0.00 C ATOM 399 CG PRO A 30 0.057 -20.621 -0.851 1.00 0.00 C ATOM 400 CD PRO A 30 1.405 -21.209 -0.587 1.00 0.00 C ATOM 0 HA PRO A 30 1.900 -18.203 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.756 -18.718 -0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.534 -18.631 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.697 -21.063 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.258 -20.808 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.335 -22.244 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.030 -21.204 -1.480 1.00 0.00 H new ATOM 405 N HIS A 31 0.869 -17.779 2.559 1.00 0.00 N ATOM 406 CA HIS A 31 0.296 -17.455 3.852 1.00 0.00 C ATOM 407 C HIS A 31 -0.702 -16.312 3.695 1.00 0.00 C ATOM 408 O HIS A 31 -0.388 -15.287 3.087 1.00 0.00 O ATOM 409 CB HIS A 31 1.415 -17.062 4.827 1.00 0.00 C ATOM 410 CG HIS A 31 0.962 -16.798 6.237 1.00 0.00 C ATOM 411 ND1 HIS A 31 1.270 -17.627 7.293 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.248 -15.776 6.763 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.762 -17.128 8.406 1.00 0.00 C ATOM 414 NE2 HIS A 31 0.139 -16.005 8.108 1.00 0.00 N ATOM 0 H HIS A 31 1.555 -17.101 2.228 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.226 -18.325 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.159 -17.858 4.843 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.911 -16.169 4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.160 -14.935 6.222 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.843 -17.565 9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.346 -15.403 8.773 1.00 0.00 H new ATOM 422 N ALA A 32 -1.894 -16.495 4.239 1.00 0.00 N ATOM 423 CA ALA A 32 -2.933 -15.479 4.155 1.00 0.00 C ATOM 424 C ALA A 32 -2.615 -14.296 5.064 1.00 0.00 C ATOM 425 O ALA A 32 -2.566 -14.434 6.288 1.00 0.00 O ATOM 426 CB ALA A 32 -4.283 -16.071 4.514 1.00 0.00 C ATOM 0 H ALA A 32 -2.167 -17.338 4.744 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.970 -15.118 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.049 -15.298 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.521 -16.879 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.250 -16.461 5.531 1.00 0.00 H new ATOM 432 N THR A 33 -2.401 -13.141 4.458 1.00 0.00 N ATOM 433 CA THR A 33 -2.079 -11.929 5.194 1.00 0.00 C ATOM 434 C THR A 33 -2.865 -10.750 4.630 1.00 0.00 C ATOM 435 O THR A 33 -3.301 -10.780 3.477 1.00 0.00 O ATOM 436 CB THR A 33 -0.562 -11.624 5.132 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.239 -10.501 5.963 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.134 -11.332 3.702 1.00 0.00 C ATOM 0 H THR A 33 -2.445 -13.016 3.447 1.00 0.00 H new ATOM 0 HA THR A 33 -2.355 -12.084 6.237 1.00 0.00 H new ATOM 0 HB THR A 33 -0.028 -12.503 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.129 -10.819 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.935 -11.120 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.346 -12.198 3.075 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.684 -10.469 3.327 1.00 0.00 H new ATOM 446 N SER A 34 -3.053 -9.725 5.443 1.00 0.00 N ATOM 447 CA SER A 34 -3.787 -8.546 5.023 1.00 0.00 C ATOM 448 C SER A 34 -3.126 -7.284 5.552 1.00 0.00 C ATOM 449 O SER A 34 -2.612 -7.273 6.667 1.00 0.00 O ATOM 450 CB SER A 34 -5.228 -8.629 5.510 1.00 0.00 C ATOM 451 OG SER A 34 -5.289 -8.870 6.908 1.00 0.00 O ATOM 0 H SER A 34 -2.706 -9.686 6.401 1.00 0.00 H new ATOM 0 HA SER A 34 -3.781 -8.504 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.747 -7.699 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.748 -9.426 4.979 1.00 0.00 H new ATOM 0 HG SER A 34 -6.226 -8.916 7.191 1.00 0.00 H new ATOM 456 N ILE A 35 -3.132 -6.233 4.752 1.00 0.00 N ATOM 457 CA ILE A 35 -2.530 -4.979 5.155 1.00 0.00 C ATOM 458 C ILE A 35 -3.522 -3.832 4.994 1.00 0.00 C ATOM 459 O ILE A 35 -4.335 -3.825 4.069 1.00 0.00 O ATOM 460 CB ILE A 35 -1.262 -4.639 4.330 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.385 -5.872 4.107 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.454 -3.545 5.014 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.688 -6.613 2.817 1.00 0.00 C ATOM 0 H ILE A 35 -3.547 -6.225 3.820 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.246 -5.099 6.201 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.596 -4.281 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.661 -5.566 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.514 -6.555 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.432 -3.321 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.064 -2.647 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.150 -3.883 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.027 -7.475 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.724 -6.950 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.531 -5.946 1.969 1.00 0.00 H new ATOM 474 N ASN A 36 -3.458 -2.865 5.895 1.00 0.00 N ATOM 475 CA ASN A 36 -4.333 -1.706 5.829 1.00 0.00 C ATOM 476 C ASN A 36 -3.579 -0.529 5.237 1.00 0.00 C ATOM 477 O ASN A 36 -2.830 0.158 5.929 1.00 0.00 O ATOM 478 CB ASN A 36 -4.893 -1.354 7.207 1.00 0.00 C ATOM 479 CG ASN A 36 -6.004 -2.291 7.642 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.758 -2.804 6.679 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.188 -2.545 8.833 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.808 -2.860 6.681 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.179 -1.947 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.088 -1.386 7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.270 -0.332 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.585 -2.129 9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.944 -3.171 9.110 1.00 0.00 H new ATOM 487 N LEU A 37 -3.806 -0.293 3.951 1.00 0.00 N ATOM 488 CA LEU A 37 -3.138 0.782 3.219 1.00 0.00 C ATOM 489 C LEU A 37 -3.507 2.137 3.797 1.00 0.00 C ATOM 490 O LEU A 37 -2.785 3.115 3.634 1.00 0.00 O ATOM 491 CB LEU A 37 -3.525 0.768 1.730 1.00 0.00 C ATOM 492 CG LEU A 37 -3.328 -0.553 0.972 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.984 -1.181 1.305 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.469 -1.520 1.257 1.00 0.00 C ATOM 0 H LEU A 37 -4.456 -0.838 3.385 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.065 0.615 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.574 1.052 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.947 1.540 1.222 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.335 -0.330 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.872 -2.115 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.183 -0.496 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.932 -1.383 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.305 -2.448 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.508 -1.732 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.412 -1.073 0.942 1.00 0.00 H new ATOM 505 N ASN A 38 -4.639 2.174 4.482 1.00 0.00 N ATOM 506 CA ASN A 38 -5.146 3.400 5.079 1.00 0.00 C ATOM 507 C ASN A 38 -4.131 4.043 6.018 1.00 0.00 C ATOM 508 O ASN A 38 -4.062 5.262 6.111 1.00 0.00 O ATOM 509 CB ASN A 38 -6.442 3.115 5.845 1.00 0.00 C ATOM 510 CG ASN A 38 -7.097 4.371 6.398 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.778 4.821 7.495 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.041 4.927 5.651 1.00 0.00 N ATOM 0 H ASN A 38 -5.231 1.358 4.640 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.340 4.100 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.144 2.608 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.228 2.432 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.530 5.758 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.278 4.523 4.745 1.00 0.00 H new ATOM 518 N TYR A 39 -3.327 3.233 6.687 1.00 0.00 N ATOM 519 CA TYR A 39 -2.352 3.762 7.634 1.00 0.00 C ATOM 520 C TYR A 39 -0.941 3.738 7.060 1.00 0.00 C ATOM 521 O TYR A 39 0.034 3.899 7.794 1.00 0.00 O ATOM 522 CB TYR A 39 -2.399 2.951 8.931 1.00 0.00 C ATOM 523 CG TYR A 39 -3.803 2.703 9.431 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.530 3.703 10.067 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.407 1.466 9.253 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.819 3.475 10.509 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.693 1.231 9.695 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.394 2.238 10.319 1.00 0.00 C ATOM 529 OH TYR A 39 -7.679 2.006 10.751 1.00 0.00 O ATOM 0 H TYR A 39 -3.327 2.217 6.596 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.612 4.801 7.838 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.904 1.993 8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.834 3.477 9.701 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.080 4.673 10.218 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.862 0.675 8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.372 4.262 11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.147 0.262 9.552 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.934 1.084 10.539 1.00 0.00 H new ATOM 538 N TYR A 40 -0.830 3.531 5.754 1.00 0.00 N ATOM 539 CA TYR A 40 0.481 3.483 5.116 1.00 0.00 C ATOM 540 C TYR A 40 0.562 4.359 3.870 1.00 0.00 C ATOM 541 O TYR A 40 1.656 4.697 3.429 1.00 0.00 O ATOM 542 CB TYR A 40 0.861 2.038 4.769 1.00 0.00 C ATOM 543 CG TYR A 40 1.012 1.145 5.983 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.926 1.449 6.986 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.243 -0.001 6.126 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.064 0.640 8.097 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.375 -0.818 7.235 1.00 0.00 C ATOM 548 CZ TYR A 40 1.287 -0.492 8.218 1.00 0.00 C ATOM 549 OH TYR A 40 1.422 -1.299 9.326 1.00 0.00 O ATOM 0 H TYR A 40 -1.619 3.395 5.122 1.00 0.00 H new ATOM 0 HA TYR A 40 1.194 3.882 5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.100 1.618 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.797 2.041 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.539 2.334 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.471 -0.260 5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.777 0.893 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.232 -1.706 7.331 1.00 0.00 H new ATOM 0 HH TYR A 40 0.801 -2.054 9.258 1.00 0.00 H new ATOM 558 N ILE A 41 -0.578 4.751 3.323 1.00 0.00 N ATOM 559 CA ILE A 41 -0.599 5.575 2.120 1.00 0.00 C ATOM 560 C ILE A 41 -1.273 6.911 2.399 1.00 0.00 C ATOM 561 O ILE A 41 -2.246 6.977 3.154 1.00 0.00 O ATOM 562 CB ILE A 41 -1.325 4.869 0.946 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.421 3.845 0.261 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.828 5.873 -0.077 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.273 2.556 1.022 1.00 0.00 C ATOM 0 H ILE A 41 -1.500 4.514 3.690 1.00 0.00 H new ATOM 0 HA ILE A 41 0.439 5.740 1.830 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.180 4.345 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.821 3.627 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.566 4.285 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.332 5.346 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.528 6.559 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.986 6.436 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.383 1.882 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.157 2.760 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.251 2.091 1.144 1.00 0.00 H new ATOM 576 N GLY A 42 -0.746 7.972 1.802 1.00 0.00 N ATOM 577 CA GLY A 42 -1.314 9.288 2.005 1.00 0.00 C ATOM 578 C GLY A 42 -1.785 9.913 0.717 1.00 0.00 C ATOM 579 O GLY A 42 -1.434 9.454 -0.371 1.00 0.00 O ATOM 0 H GLY A 42 0.063 7.944 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.151 9.217 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.570 9.935 2.469 1.00 0.00 H new ATOM 583 N ASN A 43 -2.581 10.958 0.835 1.00 0.00 N ATOM 584 CA ASN A 43 -3.104 11.647 -0.331 1.00 0.00 C ATOM 585 C ASN A 43 -2.615 13.092 -0.366 1.00 0.00 C ATOM 586 O ASN A 43 -2.976 13.915 0.475 1.00 0.00 O ATOM 587 CB ASN A 43 -4.642 11.584 -0.370 1.00 0.00 C ATOM 588 CG ASN A 43 -5.320 12.222 0.832 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.821 12.169 1.955 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.471 12.836 0.597 1.00 0.00 N ATOM 0 H ASN A 43 -2.881 11.350 1.728 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.729 11.139 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.992 12.078 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.951 10.541 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.975 13.286 1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.853 12.859 -0.348 1.00 0.00 H new ATOM 596 N ASP A 44 -1.772 13.391 -1.340 1.00 0.00 N ATOM 597 CA ASP A 44 -1.221 14.728 -1.484 1.00 0.00 C ATOM 598 C ASP A 44 -1.784 15.399 -2.729 1.00 0.00 C ATOM 599 O ASP A 44 -1.563 14.927 -3.842 1.00 0.00 O ATOM 600 CB ASP A 44 0.309 14.665 -1.559 1.00 0.00 C ATOM 601 CG ASP A 44 0.955 16.038 -1.614 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.153 16.568 -2.727 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.280 16.589 -0.541 1.00 0.00 O ATOM 0 H ASP A 44 -1.454 12.725 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.504 15.319 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.688 14.125 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.601 14.096 -2.441 1.00 0.00 H new ATOM 607 N ASN A 45 -2.555 16.469 -2.527 1.00 0.00 N ATOM 608 CA ASN A 45 -3.148 17.227 -3.629 1.00 0.00 C ATOM 609 C ASN A 45 -4.054 16.338 -4.479 1.00 0.00 C ATOM 610 O ASN A 45 -4.151 16.505 -5.693 1.00 0.00 O ATOM 611 CB ASN A 45 -2.042 17.835 -4.496 1.00 0.00 C ATOM 612 CG ASN A 45 -2.488 19.052 -5.278 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.246 19.879 -4.781 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.018 19.171 -6.510 1.00 0.00 N ATOM 0 H ASN A 45 -2.784 16.832 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.757 18.027 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.202 18.110 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.680 17.078 -5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.284 19.972 -7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.390 18.461 -6.887 1.00 0.00 H new ATOM 620 N GLY A 46 -4.711 15.386 -3.830 1.00 0.00 N ATOM 621 CA GLY A 46 -5.601 14.489 -4.537 1.00 0.00 C ATOM 622 C GLY A 46 -4.871 13.356 -5.233 1.00 0.00 C ATOM 623 O GLY A 46 -5.465 12.618 -6.018 1.00 0.00 O ATOM 0 H GLY A 46 -4.643 15.220 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.321 14.072 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.168 15.056 -5.275 1.00 0.00 H new ATOM 627 N ARG A 47 -3.584 13.219 -4.950 1.00 0.00 N ATOM 628 CA ARG A 47 -2.771 12.170 -5.551 1.00 0.00 C ATOM 629 C ARG A 47 -2.282 11.196 -4.492 1.00 0.00 C ATOM 630 O ARG A 47 -2.167 11.550 -3.319 1.00 0.00 O ATOM 631 CB ARG A 47 -1.584 12.786 -6.288 1.00 0.00 C ATOM 632 CG ARG A 47 -1.700 12.718 -7.801 1.00 0.00 C ATOM 633 CD ARG A 47 -3.024 13.278 -8.305 1.00 0.00 C ATOM 634 NE ARG A 47 -3.208 14.683 -7.933 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.278 15.690 -8.804 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.160 15.467 -10.107 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.467 16.925 -8.368 1.00 0.00 N ATOM 0 H ARG A 47 -3.077 13.824 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.386 11.621 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.483 13.829 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.672 12.275 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.878 13.274 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.599 11.682 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.067 13.182 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.845 12.686 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.288 14.906 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.014 14.518 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.215 16.245 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.559 17.104 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.521 17.698 -9.032 1.00 0.00 H new ATOM 648 N LEU A 48 -1.998 9.976 -4.915 1.00 0.00 N ATOM 649 CA LEU A 48 -1.534 8.936 -4.009 1.00 0.00 C ATOM 650 C LEU A 48 -0.037 9.050 -3.759 1.00 0.00 C ATOM 651 O LEU A 48 0.763 9.032 -4.696 1.00 0.00 O ATOM 652 CB LEU A 48 -1.865 7.557 -4.585 1.00 0.00 C ATOM 653 CG LEU A 48 -3.328 7.351 -4.973 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.582 5.905 -5.353 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.245 7.779 -3.844 1.00 0.00 C ATOM 0 H LEU A 48 -2.081 9.679 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.046 9.063 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.245 7.390 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.589 6.799 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.543 7.974 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.630 5.779 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.951 5.635 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.348 5.260 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.283 7.625 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.029 7.186 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.084 8.834 -3.624 1.00 0.00 H new ATOM 666 N GLU A 49 0.321 9.189 -2.492 1.00 0.00 N ATOM 667 CA GLU A 49 1.712 9.292 -2.075 1.00 0.00 C ATOM 668 C GLU A 49 2.099 8.035 -1.303 1.00 0.00 C ATOM 669 O GLU A 49 1.303 7.554 -0.490 1.00 0.00 O ATOM 670 CB GLU A 49 1.911 10.543 -1.209 1.00 0.00 C ATOM 671 CG GLU A 49 3.275 10.625 -0.534 1.00 0.00 C ATOM 672 CD GLU A 49 4.418 10.822 -1.511 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.540 10.026 -2.464 1.00 0.00 O ATOM 674 OE2 GLU A 49 5.210 11.769 -1.315 1.00 0.00 O ATOM 0 H GLU A 49 -0.346 9.234 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 49 2.352 9.381 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.772 11.427 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.137 10.567 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.270 11.449 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.446 9.711 0.035 1.00 0.00 H new ATOM 679 N TYR A 50 3.299 7.505 -1.579 1.00 0.00 N ATOM 680 CA TYR A 50 3.800 6.296 -0.933 1.00 0.00 C ATOM 681 C TYR A 50 3.488 6.236 0.455 1.00 0.00 C ATOM 682 O TYR A 50 2.667 5.401 0.836 1.00 0.00 O ATOM 683 CB TYR A 50 5.296 6.032 -1.139 1.00 0.00 C ATOM 684 CG TYR A 50 6.048 7.014 -2.031 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.733 7.155 -3.377 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.089 7.789 -1.523 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.425 8.037 -4.188 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.785 8.672 -2.327 1.00 0.00 C ATOM 689 CZ TYR A 50 7.450 8.793 -3.658 1.00 0.00 C ATOM 690 OH TYR A 50 8.150 9.668 -4.464 1.00 0.00 O ATOM 0 H TYR A 50 3.946 7.907 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 50 3.264 5.500 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.778 6.023 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.410 5.033 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.933 6.565 -3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.357 7.698 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.164 8.133 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.588 9.264 -1.914 1.00 0.00 H new ATOM 0 HH TYR A 50 8.837 10.123 -3.934 1.00 0.00 H new ATOM 699 N PRO A 51 4.053 7.018 1.286 1.00 0.00 N ATOM 700 CA PRO A 51 3.694 6.808 2.560 1.00 0.00 C ATOM 701 C PRO A 51 2.855 7.922 3.125 1.00 0.00 C ATOM 702 O PRO A 51 3.176 9.108 3.025 1.00 0.00 O ATOM 703 CB PRO A 51 5.029 6.676 3.167 1.00 0.00 C ATOM 704 CG PRO A 51 5.838 7.752 2.489 1.00 0.00 C ATOM 705 CD PRO A 51 5.129 7.998 1.173 1.00 0.00 C ATOM 0 HA PRO A 51 3.041 5.953 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.994 6.822 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.452 5.687 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.876 8.658 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.868 7.432 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.757 9.019 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.772 7.816 0.312 1.00 0.00 H new ATOM 710 N GLY A 52 1.790 7.529 3.723 1.00 0.00 N ATOM 711 CA GLY A 52 0.888 8.494 4.257 1.00 0.00 C ATOM 712 C GLY A 52 0.024 7.969 5.369 1.00 0.00 C ATOM 713 O GLY A 52 0.336 6.950 5.980 1.00 0.00 O ATOM 0 H GLY A 52 1.519 6.555 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.459 9.346 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.248 8.862 3.455 1.00 0.00 H new ATOM 717 N GLU A 53 -1.086 8.656 5.595 1.00 0.00 N ATOM 718 CA GLU A 53 -2.019 8.299 6.653 1.00 0.00 C ATOM 719 C GLU A 53 -3.435 8.741 6.314 1.00 0.00 C ATOM 720 O GLU A 53 -3.649 9.841 5.808 1.00 0.00 O ATOM 721 CB GLU A 53 -1.610 8.962 7.971 1.00 0.00 C ATOM 722 CG GLU A 53 -0.326 8.433 8.573 1.00 0.00 C ATOM 723 CD GLU A 53 0.189 9.315 9.692 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.224 9.116 10.857 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.003 10.221 9.409 1.00 0.00 O ATOM 0 H GLU A 53 -1.364 9.474 5.052 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.994 7.214 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.503 10.034 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.415 8.830 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.494 7.426 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.433 8.356 7.795 1.00 0.00 H new ATOM 730 N SER A 54 -4.379 7.853 6.590 1.00 0.00 N ATOM 731 CA SER A 54 -5.808 8.091 6.386 1.00 0.00 C ATOM 732 C SER A 54 -6.130 8.659 4.997 1.00 0.00 C ATOM 733 O SER A 54 -6.925 9.590 4.872 1.00 0.00 O ATOM 734 CB SER A 54 -6.334 9.029 7.483 1.00 0.00 C ATOM 735 OG SER A 54 -7.752 9.028 7.535 1.00 0.00 O ATOM 0 H SER A 54 -4.174 6.929 6.969 1.00 0.00 H new ATOM 0 HA SER A 54 -6.309 7.125 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.934 8.721 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.977 10.042 7.298 1.00 0.00 H new ATOM 0 HG SER A 54 -8.054 9.633 8.244 1.00 0.00 H new ATOM 740 N PHE A 55 -5.533 8.093 3.950 1.00 0.00 N ATOM 741 CA PHE A 55 -5.799 8.571 2.598 1.00 0.00 C ATOM 742 C PHE A 55 -7.256 8.294 2.232 1.00 0.00 C ATOM 743 O PHE A 55 -7.919 9.112 1.600 1.00 0.00 O ATOM 744 CB PHE A 55 -4.855 7.916 1.574 1.00 0.00 C ATOM 745 CG PHE A 55 -5.219 6.502 1.197 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.950 5.445 2.052 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.839 6.236 -0.016 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.291 4.153 1.702 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.183 4.946 -0.367 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.909 3.903 0.493 1.00 0.00 C ATOM 0 H PHE A 55 -4.874 7.317 4.010 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.617 9.645 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.841 8.526 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.843 7.921 1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.469 5.633 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.055 7.049 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.074 3.337 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.666 4.754 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.177 2.893 0.221 1.00 0.00 H new ATOM 759 N GLY A 56 -7.757 7.151 2.701 1.00 0.00 N ATOM 760 CA GLY A 56 -9.121 6.737 2.424 1.00 0.00 C ATOM 761 C GLY A 56 -10.158 7.744 2.883 1.00 0.00 C ATOM 762 O GLY A 56 -11.300 7.715 2.427 1.00 0.00 O ATOM 0 H GLY A 56 -7.230 6.496 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.233 6.573 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.310 5.782 2.914 1.00 0.00 H new ATOM 766 N SER A 57 -9.762 8.636 3.784 1.00 0.00 N ATOM 767 CA SER A 57 -10.655 9.659 4.300 1.00 0.00 C ATOM 768 C SER A 57 -11.108 10.590 3.170 1.00 0.00 C ATOM 769 O SER A 57 -12.207 11.145 3.212 1.00 0.00 O ATOM 770 CB SER A 57 -9.951 10.453 5.405 1.00 0.00 C ATOM 771 OG SER A 57 -10.849 11.312 6.092 1.00 0.00 O ATOM 0 H SER A 57 -8.820 8.668 4.173 1.00 0.00 H new ATOM 0 HA SER A 57 -11.539 9.180 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.495 9.762 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.144 11.043 4.971 1.00 0.00 H new ATOM 0 HG SER A 57 -10.365 11.801 6.790 1.00 0.00 H new ATOM 776 N SER A 58 -10.266 10.741 2.152 1.00 0.00 N ATOM 777 CA SER A 58 -10.585 11.597 1.016 1.00 0.00 C ATOM 778 C SER A 58 -10.214 10.913 -0.304 1.00 0.00 C ATOM 779 O SER A 58 -9.898 11.580 -1.291 1.00 0.00 O ATOM 780 CB SER A 58 -9.849 12.936 1.137 1.00 0.00 C ATOM 781 OG SER A 58 -10.198 13.611 2.337 1.00 0.00 O ATOM 0 H SER A 58 -9.358 10.281 2.091 1.00 0.00 H new ATOM 0 HA SER A 58 -11.660 11.780 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.773 12.765 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.091 13.565 0.280 1.00 0.00 H new ATOM 0 HG SER A 58 -9.712 14.461 2.388 1.00 0.00 H new ATOM 786 N CYS A 59 -10.254 9.584 -0.316 1.00 0.00 N ATOM 787 CA CYS A 59 -9.927 8.819 -1.510 1.00 0.00 C ATOM 788 C CYS A 59 -10.962 7.731 -1.756 1.00 0.00 C ATOM 789 O CYS A 59 -11.428 7.078 -0.819 1.00 0.00 O ATOM 790 CB CYS A 59 -8.546 8.183 -1.382 1.00 0.00 C ATOM 791 SG CYS A 59 -7.180 9.370 -1.184 1.00 0.00 S ATOM 0 H CYS A 59 -10.511 9.015 0.491 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.927 9.508 -2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.550 7.507 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.357 7.576 -2.267 1.00 0.00 H new ATOM 795 N VAL A 60 -11.315 7.544 -3.017 1.00 0.00 N ATOM 796 CA VAL A 60 -12.291 6.536 -3.411 1.00 0.00 C ATOM 797 C VAL A 60 -11.797 5.768 -4.631 1.00 0.00 C ATOM 798 O VAL A 60 -10.754 6.103 -5.193 1.00 0.00 O ATOM 799 CB VAL A 60 -13.662 7.169 -3.742 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.292 7.785 -2.501 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.520 8.212 -4.843 1.00 0.00 C ATOM 0 H VAL A 60 -10.936 8.083 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.412 5.858 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.321 6.378 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.255 8.223 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.437 7.013 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.635 8.560 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.496 8.646 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.839 8.997 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.123 7.740 -5.742 1.00 0.00 H new ATOM 811 N LYS A 61 -12.554 4.744 -5.034 1.00 0.00 N ATOM 812 CA LYS A 61 -12.213 3.917 -6.195 1.00 0.00 C ATOM 813 C LYS A 61 -10.901 3.165 -5.985 1.00 0.00 C ATOM 814 O LYS A 61 -10.096 3.034 -6.907 1.00 0.00 O ATOM 815 CB LYS A 61 -12.136 4.760 -7.479 1.00 0.00 C ATOM 816 CG LYS A 61 -13.475 4.960 -8.182 1.00 0.00 C ATOM 817 CD LYS A 61 -14.484 5.690 -7.312 1.00 0.00 C ATOM 818 CE LYS A 61 -15.825 5.832 -8.013 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.744 6.727 -9.197 1.00 0.00 N ATOM 0 H LYS A 61 -13.417 4.466 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.013 3.185 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.719 5.737 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.443 4.282 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.318 5.523 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.881 3.989 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.617 5.149 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.099 6.677 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.176 4.849 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.561 6.225 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.701 6.904 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.306 7.629 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.168 6.275 -9.935 1.00 0.00 H new ATOM 829 N THR A 62 -10.702 2.665 -4.776 1.00 0.00 N ATOM 830 CA THR A 62 -9.496 1.919 -4.437 1.00 0.00 C ATOM 831 C THR A 62 -9.414 0.589 -5.190 1.00 0.00 C ATOM 832 O THR A 62 -10.342 -0.220 -5.145 1.00 0.00 O ATOM 833 CB THR A 62 -9.439 1.639 -2.927 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.708 1.145 -2.479 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.067 2.892 -2.148 1.00 0.00 C ATOM 0 H THR A 62 -11.364 2.762 -4.006 1.00 0.00 H new ATOM 0 HA THR A 62 -8.650 2.539 -4.734 1.00 0.00 H new ATOM 0 HB THR A 62 -8.669 0.888 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.067 0.518 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.035 2.662 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.088 3.245 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.811 3.668 -2.329 1.00 0.00 H new ATOM 843 N ALA A 63 -8.298 0.374 -5.873 1.00 0.00 N ATOM 844 CA ALA A 63 -8.066 -0.853 -6.626 1.00 0.00 C ATOM 845 C ALA A 63 -6.570 -1.138 -6.707 1.00 0.00 C ATOM 846 O ALA A 63 -5.757 -0.251 -6.459 1.00 0.00 O ATOM 847 CB ALA A 63 -8.667 -0.749 -8.020 1.00 0.00 C ATOM 0 H ALA A 63 -7.529 1.043 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.554 -1.679 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.483 -1.675 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.741 -0.581 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.208 0.084 -8.553 1.00 0.00 H new ATOM 853 N LEU A 64 -6.207 -2.369 -7.038 1.00 0.00 N ATOM 854 CA LEU A 64 -4.801 -2.747 -7.135 1.00 0.00 C ATOM 855 C LEU A 64 -4.464 -3.252 -8.536 1.00 0.00 C ATOM 856 O LEU A 64 -4.953 -4.295 -8.965 1.00 0.00 O ATOM 857 CB LEU A 64 -4.470 -3.820 -6.085 1.00 0.00 C ATOM 858 CG LEU A 64 -3.468 -3.400 -5.002 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.066 -3.339 -5.568 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.850 -2.054 -4.414 1.00 0.00 C ATOM 0 H LEU A 64 -6.863 -3.122 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.194 -1.862 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.397 -4.125 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.076 -4.697 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.493 -4.148 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.370 -3.039 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.784 -4.321 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.033 -2.613 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.127 -1.773 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.854 -1.301 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.843 -2.120 -3.969 1.00 0.00 H new ATOM 871 N ASN A 65 -3.628 -2.496 -9.241 1.00 0.00 N ATOM 872 CA ASN A 65 -3.204 -2.850 -10.590 1.00 0.00 C ATOM 873 C ASN A 65 -2.184 -3.967 -10.553 1.00 0.00 C ATOM 874 O ASN A 65 -1.101 -3.797 -9.984 1.00 0.00 O ATOM 875 CB ASN A 65 -2.571 -1.645 -11.282 1.00 0.00 C ATOM 876 CG ASN A 65 -3.526 -0.481 -11.421 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.640 0.341 -10.517 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.207 -0.396 -12.553 1.00 0.00 N ATOM 0 H ASN A 65 -3.227 -1.624 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.087 -3.175 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.696 -1.325 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.221 -1.942 -12.271 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.858 0.376 -12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.081 -1.102 -13.278 1.00 0.00 H new ATOM 884 N ASP A 66 -2.549 -5.113 -11.132 1.00 0.00 N ATOM 885 CA ASP A 66 -1.674 -6.292 -11.210 1.00 0.00 C ATOM 886 C ASP A 66 -1.182 -6.717 -9.825 1.00 0.00 C ATOM 887 O ASP A 66 -0.247 -7.503 -9.692 1.00 0.00 O ATOM 888 CB ASP A 66 -0.489 -6.015 -12.149 1.00 0.00 C ATOM 889 CG ASP A 66 0.252 -7.278 -12.556 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.345 -8.124 -13.257 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.442 -7.419 -12.203 1.00 0.00 O ATOM 0 H ASP A 66 -3.463 -5.253 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.257 -7.118 -11.617 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.852 -5.509 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.206 -5.335 -11.657 1.00 0.00 H new ATOM 895 N GLY A 67 -1.837 -6.201 -8.797 1.00 0.00 N ATOM 896 CA GLY A 67 -1.471 -6.524 -7.440 1.00 0.00 C ATOM 897 C GLY A 67 -0.142 -5.928 -7.013 1.00 0.00 C ATOM 898 O GLY A 67 0.614 -6.569 -6.291 1.00 0.00 O ATOM 0 H GLY A 67 -2.624 -5.558 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.252 -6.170 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.425 -7.608 -7.333 1.00 0.00 H new ATOM 902 N HIS A 68 0.149 -4.701 -7.449 1.00 0.00 N ATOM 903 CA HIS A 68 1.400 -4.044 -7.064 1.00 0.00 C ATOM 904 C HIS A 68 1.222 -2.532 -6.938 1.00 0.00 C ATOM 905 O HIS A 68 1.890 -1.887 -6.136 1.00 0.00 O ATOM 906 CB HIS A 68 2.542 -4.375 -8.044 1.00 0.00 C ATOM 907 CG HIS A 68 2.508 -3.645 -9.358 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.290 -2.540 -9.622 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.823 -3.892 -10.500 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.086 -2.143 -10.864 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.201 -2.948 -11.418 1.00 0.00 N ATOM 0 H HIS A 68 -0.454 -4.149 -8.059 1.00 0.00 H new ATOM 0 HA HIS A 68 1.675 -4.435 -6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.491 -4.158 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.525 -5.446 -8.244 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.927 -2.098 -8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.110 -4.687 -10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.563 -1.302 -11.345 1.00 0.00 H new ATOM 919 N THR A 69 0.319 -1.972 -7.725 1.00 0.00 N ATOM 920 CA THR A 69 0.068 -0.543 -7.696 1.00 0.00 C ATOM 921 C THR A 69 -1.357 -0.236 -7.234 1.00 0.00 C ATOM 922 O THR A 69 -2.306 -0.854 -7.691 1.00 0.00 O ATOM 923 CB THR A 69 0.302 0.066 -9.090 1.00 0.00 C ATOM 924 OG1 THR A 69 1.708 0.145 -9.361 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.333 1.442 -9.218 1.00 0.00 C ATOM 0 H THR A 69 -0.253 -2.488 -8.393 1.00 0.00 H new ATOM 0 HA THR A 69 0.762 -0.099 -6.983 1.00 0.00 H new ATOM 0 HB THR A 69 -0.173 -0.587 -9.822 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.848 0.532 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.145 1.838 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.408 1.363 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.099 2.112 -8.475 1.00 0.00 H new ATOM 933 N LEU A 70 -1.491 0.704 -6.319 1.00 0.00 N ATOM 934 CA LEU A 70 -2.797 1.111 -5.817 1.00 0.00 C ATOM 935 C LEU A 70 -3.340 2.267 -6.644 1.00 0.00 C ATOM 936 O LEU A 70 -2.635 3.230 -6.908 1.00 0.00 O ATOM 937 CB LEU A 70 -2.688 1.521 -4.341 1.00 0.00 C ATOM 938 CG LEU A 70 -3.825 2.396 -3.793 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.160 1.669 -3.846 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.513 2.830 -2.370 1.00 0.00 C ATOM 0 H LEU A 70 -0.707 1.206 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.484 0.269 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.632 0.615 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.748 2.055 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.904 3.281 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.943 2.316 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.392 1.408 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.104 0.760 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.326 3.450 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.403 1.950 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.585 3.402 -2.359 1.00 0.00 H new ATOM 951 N THR A 71 -4.581 2.158 -7.071 1.00 0.00 N ATOM 952 CA THR A 71 -5.218 3.206 -7.845 1.00 0.00 C ATOM 953 C THR A 71 -6.422 3.742 -7.100 1.00 0.00 C ATOM 954 O THR A 71 -7.244 2.969 -6.608 1.00 0.00 O ATOM 955 CB THR A 71 -5.667 2.716 -9.233 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.788 1.287 -9.241 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.695 3.168 -10.311 1.00 0.00 C ATOM 0 H THR A 71 -5.174 1.347 -6.894 1.00 0.00 H new ATOM 0 HA THR A 71 -4.477 3.992 -7.987 1.00 0.00 H new ATOM 0 HB THR A 71 -6.642 3.154 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.025 0.897 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.036 2.808 -11.282 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.646 4.257 -10.324 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.705 2.763 -10.101 1.00 0.00 H new ATOM 965 N ALA A 72 -6.501 5.055 -6.983 1.00 0.00 N ATOM 966 CA ALA A 72 -7.618 5.685 -6.303 1.00 0.00 C ATOM 967 C ALA A 72 -7.732 7.150 -6.694 1.00 0.00 C ATOM 968 O ALA A 72 -6.802 7.734 -7.256 1.00 0.00 O ATOM 969 CB ALA A 72 -7.475 5.544 -4.794 1.00 0.00 C ATOM 0 H ALA A 72 -5.806 5.705 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.533 5.178 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.322 6.023 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.451 4.487 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.550 6.021 -4.470 1.00 0.00 H new ATOM 975 N SER A 73 -8.882 7.729 -6.410 1.00 0.00 N ATOM 976 CA SER A 73 -9.138 9.121 -6.714 1.00 0.00 C ATOM 977 C SER A 73 -9.272 9.893 -5.412 1.00 0.00 C ATOM 978 O SER A 73 -10.097 9.547 -4.562 1.00 0.00 O ATOM 979 CB SER A 73 -10.410 9.257 -7.553 1.00 0.00 C ATOM 980 OG SER A 73 -10.568 10.580 -8.024 1.00 0.00 O ATOM 0 H SER A 73 -9.663 7.248 -5.963 1.00 0.00 H new ATOM 0 HA SER A 73 -8.309 9.528 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.368 8.569 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.276 8.974 -6.955 1.00 0.00 H new ATOM 0 HG SER A 73 -11.521 10.808 -8.045 1.00 0.00 H new ATOM 985 N CYS A 74 -8.460 10.923 -5.246 1.00 0.00 N ATOM 986 CA CYS A 74 -8.493 11.707 -4.022 1.00 0.00 C ATOM 987 C CYS A 74 -8.744 13.183 -4.296 1.00 0.00 C ATOM 988 O CYS A 74 -8.467 13.685 -5.387 1.00 0.00 O ATOM 989 CB CYS A 74 -7.172 11.544 -3.278 1.00 0.00 C ATOM 990 SG CYS A 74 -6.647 9.816 -3.084 1.00 0.00 S ATOM 0 H CYS A 74 -7.776 11.234 -5.936 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.318 11.338 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.395 12.092 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.263 11.999 -2.292 1.00 0.00 H new ATOM 994 N LYS A 75 -9.291 13.862 -3.300 1.00 0.00 N ATOM 995 CA LYS A 75 -9.571 15.287 -3.384 1.00 0.00 C ATOM 996 C LYS A 75 -8.473 16.081 -2.672 1.00 0.00 C ATOM 997 O LYS A 75 -7.854 15.580 -1.733 1.00 0.00 O ATOM 998 CB LYS A 75 -10.949 15.575 -2.765 1.00 0.00 C ATOM 999 CG LYS A 75 -11.251 17.051 -2.546 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.961 17.473 -1.111 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.890 18.981 -0.978 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.847 19.419 0.443 1.00 0.00 N ATOM 0 H LYS A 75 -9.554 13.440 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.587 15.596 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.718 15.153 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.018 15.058 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.652 17.652 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.297 17.248 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.738 17.085 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.018 17.033 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.004 19.348 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.755 19.428 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.799 20.457 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.704 19.092 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.008 19.015 0.906 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.211 17.303 -3.132 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.201 18.129 -2.491 1.00 0.00 C ATOM 1014 C GLY A 76 -6.557 19.119 -3.440 1.00 0.00 C ATOM 1015 O GLY A 76 -6.124 20.194 -3.027 1.00 0.00 O ATOM 0 H GLY A 76 -8.676 17.733 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.656 18.672 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.430 17.486 -2.067 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.489 18.742 -4.707 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.897 19.582 -5.742 1.00 0.00 C ATOM 1021 C ALA A 77 -6.547 20.961 -5.821 1.00 0.00 C ATOM 1022 O ALA A 77 -5.860 21.959 -6.030 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.974 18.875 -7.083 1.00 0.00 C ATOM 0 H ALA A 77 -6.841 17.848 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.853 19.746 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.531 19.506 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.430 17.932 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.017 18.678 -7.331 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.865 21.015 -5.649 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.596 22.284 -5.703 1.00 0.00 C ATOM 1031 C ASP A 78 -10.060 22.056 -5.356 1.00 0.00 C ATOM 1032 O ASP A 78 -10.958 22.418 -6.112 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.481 22.916 -7.099 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.942 24.360 -7.124 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.235 25.218 -6.553 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.005 24.647 -7.711 1.00 0.00 O ATOM 0 H ASP A 78 -8.450 20.199 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.157 22.967 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.445 22.863 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.074 22.337 -7.806 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.294 21.415 -4.216 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.655 21.122 -3.788 1.00 0.00 C ATOM 1042 C GLY A 79 -12.310 20.084 -4.678 1.00 0.00 C ATOM 1043 O GLY A 79 -13.499 19.790 -4.554 1.00 0.00 O ATOM 0 H GLY A 79 -9.567 21.092 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.644 20.764 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.246 22.038 -3.801 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.516 19.537 -5.582 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.969 18.534 -6.521 1.00 0.00 C ATOM 1049 C GLN A 80 -11.102 17.293 -6.393 1.00 0.00 C ATOM 1050 O GLN A 80 -10.068 17.320 -5.713 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.902 19.088 -7.945 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.515 19.565 -8.348 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.477 20.135 -9.752 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -9.583 21.085 -9.977 1.00 0.00 O flip ATOM 1055 NE2 GLN A 80 -11.246 19.727 -10.625 1.00 0.00 N flip ATOM 0 H GLN A 80 -10.531 19.781 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.003 18.268 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.228 18.316 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.603 19.917 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.177 20.324 -7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.815 18.732 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.920 18.993 -10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.208 20.124 -11.564 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.515 16.222 -7.049 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.791 14.965 -6.996 1.00 0.00 C ATOM 1064 C TYR A 81 -10.144 14.655 -8.342 1.00 0.00 C ATOM 1065 O TYR A 81 -10.486 15.258 -9.361 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.745 13.831 -6.601 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.849 13.599 -7.610 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -14.054 14.286 -7.527 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -12.678 12.702 -8.655 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -15.053 14.082 -8.460 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -13.668 12.497 -9.589 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.854 13.187 -9.489 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.841 12.991 -10.429 1.00 0.00 O ATOM 0 H TYR A 81 -12.354 16.199 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.003 15.052 -6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.174 12.911 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.190 14.060 -5.633 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.212 14.989 -6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.751 12.154 -8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -15.985 14.622 -8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.514 11.797 -10.397 1.00 0.00 H new ATOM 0 HH TYR A 81 -15.540 12.329 -11.086 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.213 13.717 -8.339 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.528 13.306 -9.551 1.00 0.00 C ATOM 1084 C HIS A 82 -8.022 11.889 -9.358 1.00 0.00 C ATOM 1085 O HIS A 82 -7.741 11.482 -8.231 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.355 14.239 -9.863 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.930 14.201 -11.299 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.090 13.238 -11.821 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.246 15.017 -12.331 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.912 13.466 -13.109 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.602 14.538 -13.443 1.00 0.00 N ATOM 0 H HIS A 82 -8.912 13.221 -7.500 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.222 13.352 -10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.633 15.260 -9.601 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.507 13.968 -9.234 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.672 12.471 -11.294 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.887 15.885 -12.287 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.304 12.874 -13.776 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.933 11.130 -10.436 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.453 9.762 -10.352 1.00 0.00 C ATOM 1101 C ASP A 83 -5.933 9.744 -10.310 1.00 0.00 C ATOM 1102 O ASP A 83 -5.272 10.556 -10.964 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.958 8.934 -11.538 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.315 9.331 -12.852 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.593 10.448 -13.337 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.541 8.524 -13.412 1.00 0.00 O ATOM 0 H ASP A 83 -8.186 11.436 -11.376 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.840 9.318 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.762 7.879 -11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.039 9.047 -11.620 1.00 0.00 H new ATOM 1110 N SER A 84 -5.391 8.850 -9.503 1.00 0.00 N ATOM 1111 CA SER A 84 -3.952 8.704 -9.373 1.00 0.00 C ATOM 1112 C SER A 84 -3.609 7.278 -8.961 1.00 0.00 C ATOM 1113 O SER A 84 -4.491 6.506 -8.572 1.00 0.00 O ATOM 1114 CB SER A 84 -3.411 9.706 -8.352 1.00 0.00 C ATOM 1115 OG SER A 84 -4.126 9.636 -7.131 1.00 0.00 O ATOM 0 H SER A 84 -5.931 8.208 -8.923 1.00 0.00 H new ATOM 0 HA SER A 84 -3.484 8.909 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.355 9.507 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.480 10.715 -8.758 1.00 0.00 H new ATOM 0 HG SER A 84 -4.883 10.258 -7.159 1.00 0.00 H new ATOM 1120 N SER A 85 -2.339 6.925 -9.050 1.00 0.00 N ATOM 1121 CA SER A 85 -1.902 5.593 -8.681 1.00 0.00 C ATOM 1122 C SER A 85 -0.667 5.665 -7.798 1.00 0.00 C ATOM 1123 O SER A 85 0.011 6.692 -7.739 1.00 0.00 O ATOM 1124 CB SER A 85 -1.601 4.760 -9.922 1.00 0.00 C ATOM 1125 OG SER A 85 -2.192 5.330 -11.082 1.00 0.00 O ATOM 0 H SER A 85 -1.594 7.542 -9.374 1.00 0.00 H new ATOM 0 HA SER A 85 -2.709 5.115 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.522 4.686 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.975 3.746 -9.782 1.00 0.00 H new ATOM 0 HG SER A 85 -1.981 4.776 -11.862 1.00 0.00 H new ATOM 1130 N MET A 86 -0.386 4.571 -7.119 1.00 0.00 N ATOM 1131 CA MET A 86 0.748 4.488 -6.229 1.00 0.00 C ATOM 1132 C MET A 86 1.343 3.087 -6.234 1.00 0.00 C ATOM 1133 O MET A 86 0.705 2.140 -5.788 1.00 0.00 O ATOM 1134 CB MET A 86 0.304 4.834 -4.813 1.00 0.00 C ATOM 1135 CG MET A 86 1.429 4.845 -3.792 1.00 0.00 C ATOM 1136 SD MET A 86 2.590 6.201 -4.064 1.00 0.00 S ATOM 1137 CE MET A 86 3.583 5.603 -5.422 1.00 0.00 C ATOM 0 H MET A 86 -0.939 3.716 -7.171 1.00 0.00 H new ATOM 0 HA MET A 86 1.507 5.192 -6.572 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.172 5.815 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.452 4.116 -4.496 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.007 4.927 -2.791 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.965 3.897 -3.835 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.448 6.253 -5.554 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.920 4.589 -5.207 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.988 5.602 -6.335 1.00 0.00 H new ATOM 1145 N ASP A 87 2.554 2.951 -6.745 1.00 0.00 N ATOM 1146 CA ASP A 87 3.208 1.656 -6.771 1.00 0.00 C ATOM 1147 C ASP A 87 3.622 1.271 -5.359 1.00 0.00 C ATOM 1148 O ASP A 87 4.564 1.827 -4.797 1.00 0.00 O ATOM 1149 CB ASP A 87 4.426 1.673 -7.689 1.00 0.00 C ATOM 1150 CG ASP A 87 4.977 0.283 -7.930 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.180 -0.684 -7.937 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.204 0.154 -8.110 1.00 0.00 O ATOM 0 H ASP A 87 3.100 3.715 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 87 2.506 0.919 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.154 2.125 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.202 2.299 -7.249 1.00 0.00 H new ATOM 1156 N LEU A 88 2.901 0.319 -4.796 1.00 0.00 N ATOM 1157 CA LEU A 88 3.149 -0.153 -3.440 1.00 0.00 C ATOM 1158 C LEU A 88 4.343 -1.085 -3.419 1.00 0.00 C ATOM 1159 O LEU A 88 4.798 -1.497 -2.353 1.00 0.00 O ATOM 1160 CB LEU A 88 1.919 -0.882 -2.898 1.00 0.00 C ATOM 1161 CG LEU A 88 0.575 -0.215 -3.194 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.562 -1.034 -2.604 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.552 1.206 -2.644 1.00 0.00 C ATOM 0 H LEU A 88 2.126 -0.151 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 88 3.358 0.710 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.904 -1.890 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.025 -0.983 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 88 0.442 -0.166 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.513 -0.547 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.557 -2.032 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.433 -1.110 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.412 1.666 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.705 1.181 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.347 1.789 -3.109 1.00 0.00 H new ATOM 1174 N ASN A 89 4.820 -1.441 -4.607 1.00 0.00 N ATOM 1175 CA ASN A 89 5.974 -2.325 -4.753 1.00 0.00 C ATOM 1176 C ASN A 89 7.141 -1.862 -3.879 1.00 0.00 C ATOM 1177 O ASN A 89 7.932 -2.676 -3.399 1.00 0.00 O ATOM 1178 CB ASN A 89 6.403 -2.383 -6.221 1.00 0.00 C ATOM 1179 CG ASN A 89 7.549 -3.346 -6.468 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.716 -2.976 -6.371 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.222 -4.582 -6.813 1.00 0.00 N ATOM 0 H ASN A 89 4.421 -1.128 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 89 5.684 -3.322 -4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.550 -2.679 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.698 -1.386 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.952 -5.267 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.240 -4.849 -6.882 1.00 0.00 H new ATOM 1187 N TYR A 90 7.229 -0.556 -3.637 1.00 0.00 N ATOM 1188 CA TYR A 90 8.303 -0.025 -2.817 1.00 0.00 C ATOM 1189 C TYR A 90 7.767 0.624 -1.547 1.00 0.00 C ATOM 1190 O TYR A 90 8.445 1.447 -0.923 1.00 0.00 O ATOM 1191 CB TYR A 90 9.191 0.942 -3.611 1.00 0.00 C ATOM 1192 CG TYR A 90 8.469 2.097 -4.269 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.924 1.970 -5.542 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.367 3.326 -3.630 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.300 3.033 -6.156 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.735 4.392 -4.237 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.205 4.241 -5.502 1.00 0.00 C ATOM 1198 OH TYR A 90 6.586 5.302 -6.119 1.00 0.00 O ATOM 0 H TYR A 90 6.577 0.142 -3.994 1.00 0.00 H new ATOM 0 HA TYR A 90 8.927 -0.866 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.950 1.345 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.715 0.377 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.991 1.023 -6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.789 3.449 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.886 2.920 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.656 5.339 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 90 6.601 6.081 -5.524 1.00 0.00 H new ATOM 1207 N VAL A 91 6.546 0.262 -1.171 1.00 0.00 N ATOM 1208 CA VAL A 91 5.947 0.781 0.050 1.00 0.00 C ATOM 1209 C VAL A 91 5.482 -0.378 0.941 1.00 0.00 C ATOM 1210 O VAL A 91 5.174 -0.194 2.119 1.00 0.00 O ATOM 1211 CB VAL A 91 4.796 1.792 -0.217 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.105 2.678 -1.397 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.449 1.145 -0.406 1.00 0.00 C ATOM 0 H VAL A 91 5.955 -0.386 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 91 6.718 1.345 0.575 1.00 0.00 H new ATOM 0 HB VAL A 91 4.734 2.396 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.280 3.373 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.019 3.239 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.239 2.064 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.698 1.914 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.487 0.467 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.185 0.585 0.491 1.00 0.00 H new ATOM 1223 N VAL A 92 5.450 -1.581 0.360 1.00 0.00 N ATOM 1224 CA VAL A 92 5.068 -2.794 1.083 1.00 0.00 C ATOM 1225 C VAL A 92 6.057 -3.907 0.755 1.00 0.00 C ATOM 1226 O VAL A 92 6.580 -3.968 -0.361 1.00 0.00 O ATOM 1227 CB VAL A 92 3.655 -3.316 0.717 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.134 -4.256 1.794 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.680 -2.185 0.479 1.00 0.00 C ATOM 0 H VAL A 92 5.687 -1.739 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 92 5.070 -2.528 2.140 1.00 0.00 H new ATOM 0 HB VAL A 92 3.745 -3.870 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.141 -4.611 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.809 -5.106 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.078 -3.725 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.702 -2.595 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.597 -1.580 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.037 -1.563 -0.342 1.00 0.00 H new ATOM 1239 N GLY A 93 6.306 -4.783 1.713 1.00 0.00 N ATOM 1240 CA GLY A 93 7.215 -5.888 1.495 1.00 0.00 C ATOM 1241 C GLY A 93 6.699 -7.166 2.115 1.00 0.00 C ATOM 1242 O GLY A 93 5.701 -7.152 2.839 1.00 0.00 O ATOM 0 H GLY A 93 5.892 -4.749 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.359 -6.035 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.190 -5.646 1.918 1.00 0.00 H new ATOM 1246 N ASN A 94 7.372 -8.270 1.832 1.00 0.00 N ATOM 1247 CA ASN A 94 6.972 -9.567 2.369 1.00 0.00 C ATOM 1248 C ASN A 94 8.057 -10.138 3.270 1.00 0.00 C ATOM 1249 O ASN A 94 9.228 -10.194 2.891 1.00 0.00 O ATOM 1250 CB ASN A 94 6.684 -10.561 1.239 1.00 0.00 C ATOM 1251 CG ASN A 94 6.301 -11.941 1.760 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.632 -12.074 2.784 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.753 -12.978 1.074 1.00 0.00 N ATOM 0 H ASN A 94 8.198 -8.297 1.234 1.00 0.00 H new ATOM 0 HA ASN A 94 6.064 -9.413 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.877 -10.174 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.565 -10.648 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.550 -13.926 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.305 -12.829 0.229 1.00 0.00 H new ATOM 1259 N SER A 95 7.667 -10.549 4.464 1.00 0.00 N ATOM 1260 CA SER A 95 8.593 -11.133 5.413 1.00 0.00 C ATOM 1261 C SER A 95 7.997 -12.385 6.034 1.00 0.00 C ATOM 1262 O SER A 95 7.161 -12.299 6.931 1.00 0.00 O ATOM 1263 CB SER A 95 8.936 -10.129 6.505 1.00 0.00 C ATOM 1264 OG SER A 95 9.674 -9.032 5.987 1.00 0.00 O ATOM 0 H SER A 95 6.706 -10.487 4.800 1.00 0.00 H new ATOM 0 HA SER A 95 9.505 -11.403 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.019 -9.766 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.514 -10.622 7.286 1.00 0.00 H new ATOM 0 HG SER A 95 10.014 -8.488 6.728 1.00 0.00 H new ATOM 1269 N TYR A 96 8.416 -13.544 5.530 1.00 0.00 N ATOM 1270 CA TYR A 96 7.943 -14.831 6.032 1.00 0.00 C ATOM 1271 C TYR A 96 6.433 -14.955 5.850 1.00 0.00 C ATOM 1272 O TYR A 96 5.723 -15.419 6.747 1.00 0.00 O ATOM 1273 CB TYR A 96 8.305 -15.013 7.513 1.00 0.00 C ATOM 1274 CG TYR A 96 9.787 -14.906 7.813 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.626 -16.009 7.701 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.342 -13.700 8.219 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.978 -15.909 7.984 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.688 -13.592 8.504 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.503 -14.698 8.386 1.00 0.00 C ATOM 1280 OH TYR A 96 13.846 -14.592 8.675 1.00 0.00 O ATOM 0 H TYR A 96 9.089 -13.617 4.767 1.00 0.00 H new ATOM 0 HA TYR A 96 8.437 -15.614 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.773 -14.264 8.099 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.949 -15.989 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.217 -16.958 7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.709 -12.830 8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.618 -16.774 7.891 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.101 -12.645 8.818 1.00 0.00 H new ATOM 0 HH TYR A 96 14.052 -13.672 8.942 1.00 0.00 H new ATOM 1289 N GLY A 97 5.952 -14.564 4.672 1.00 0.00 N ATOM 1290 CA GLY A 97 4.531 -14.620 4.385 1.00 0.00 C ATOM 1291 C GLY A 97 3.723 -13.760 5.332 1.00 0.00 C ATOM 1292 O GLY A 97 2.566 -14.057 5.623 1.00 0.00 O ATOM 0 H GLY A 97 6.526 -14.208 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.356 -14.293 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.189 -15.653 4.453 1.00 0.00 H new ATOM 1296 N TYR A 98 4.334 -12.690 5.813 1.00 0.00 N ATOM 1297 CA TYR A 98 3.673 -11.796 6.746 1.00 0.00 C ATOM 1298 C TYR A 98 3.782 -10.356 6.265 1.00 0.00 C ATOM 1299 O TYR A 98 4.761 -9.982 5.612 1.00 0.00 O ATOM 1300 CB TYR A 98 4.295 -11.941 8.136 1.00 0.00 C ATOM 1301 CG TYR A 98 3.426 -11.409 9.252 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.312 -12.121 9.679 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.720 -10.207 9.882 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.515 -11.650 10.700 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.925 -9.729 10.905 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.825 -10.454 11.310 1.00 0.00 C ATOM 1307 OH TYR A 98 1.031 -9.987 12.331 1.00 0.00 O ATOM 0 H TYR A 98 5.288 -12.420 5.572 1.00 0.00 H new ATOM 0 HA TYR A 98 2.617 -12.062 6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.504 -12.994 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.251 -11.418 8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.067 -13.059 9.203 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.582 -9.638 9.568 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.652 -12.215 11.020 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.164 -8.792 11.385 1.00 0.00 H new ATOM 0 HH TYR A 98 1.384 -9.133 12.656 1.00 0.00 H new ATOM 1316 N MET A 99 2.760 -9.567 6.582 1.00 0.00 N ATOM 1317 CA MET A 99 2.707 -8.165 6.187 1.00 0.00 C ATOM 1318 C MET A 99 3.843 -7.349 6.803 1.00 0.00 C ATOM 1319 O MET A 99 3.972 -7.260 8.024 1.00 0.00 O ATOM 1320 CB MET A 99 1.361 -7.538 6.580 1.00 0.00 C ATOM 1321 CG MET A 99 1.092 -7.540 8.080 1.00 0.00 C ATOM 1322 SD MET A 99 -0.348 -6.558 8.539 1.00 0.00 S ATOM 1323 CE MET A 99 -0.258 -6.645 10.328 1.00 0.00 C ATOM 0 H MET A 99 1.950 -9.880 7.117 1.00 0.00 H new ATOM 0 HA MET A 99 2.820 -8.142 5.103 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.330 -6.511 6.217 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.559 -8.078 6.077 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.947 -8.567 8.416 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.968 -7.155 8.601 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.085 -6.083 10.762 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.320 -7.686 10.645 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.687 -6.219 10.666 1.00 0.00 H new ATOM 1331 N GLU A 100 4.664 -6.768 5.945 1.00 0.00 N ATOM 1332 CA GLU A 100 5.772 -5.926 6.373 1.00 0.00 C ATOM 1333 C GLU A 100 5.940 -4.771 5.397 1.00 0.00 C ATOM 1334 O GLU A 100 6.797 -4.804 4.517 1.00 0.00 O ATOM 1335 CB GLU A 100 7.064 -6.736 6.477 1.00 0.00 C ATOM 1336 CG GLU A 100 7.220 -7.459 7.805 1.00 0.00 C ATOM 1337 CD GLU A 100 7.506 -6.508 8.947 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.659 -6.038 9.054 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.589 -6.223 9.741 1.00 0.00 O ATOM 0 H GLU A 100 4.583 -6.865 4.933 1.00 0.00 H new ATOM 0 HA GLU A 100 5.550 -5.528 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.092 -7.467 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.914 -6.069 6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.310 -8.019 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.030 -8.185 7.728 1.00 0.00 H new ATOM 1344 N PRO A 101 5.092 -3.743 5.528 1.00 0.00 N ATOM 1345 CA PRO A 101 5.126 -2.571 4.651 1.00 0.00 C ATOM 1346 C PRO A 101 6.351 -1.692 4.872 1.00 0.00 C ATOM 1347 O PRO A 101 6.364 -0.806 5.730 1.00 0.00 O ATOM 1348 CB PRO A 101 3.853 -1.813 5.009 1.00 0.00 C ATOM 1349 CG PRO A 101 3.525 -2.240 6.397 1.00 0.00 C ATOM 1350 CD PRO A 101 4.032 -3.646 6.544 1.00 0.00 C ATOM 0 HA PRO A 101 5.184 -2.864 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.007 -0.735 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.043 -2.055 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.995 -1.580 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.450 -2.195 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.420 -3.829 7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.242 -4.377 6.370 1.00 0.00 H new ATOM 1355 N CYS A 102 7.377 -1.952 4.089 1.00 0.00 N ATOM 1356 CA CYS A 102 8.612 -1.194 4.155 1.00 0.00 C ATOM 1357 C CYS A 102 8.699 -0.260 2.958 1.00 0.00 C ATOM 1358 O CYS A 102 8.559 -0.688 1.813 1.00 0.00 O ATOM 1359 CB CYS A 102 9.818 -2.140 4.203 1.00 0.00 C ATOM 1360 SG CYS A 102 9.708 -3.559 3.061 1.00 0.00 S ATOM 0 H CYS A 102 7.380 -2.694 3.389 1.00 0.00 H new ATOM 0 HA CYS A 102 8.621 -0.596 5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.719 -1.572 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.930 -2.515 5.220 1.00 0.00 H new ATOM 1364 N ARG A 103 8.915 1.021 3.217 1.00 0.00 N ATOM 1365 CA ARG A 103 8.996 1.994 2.140 1.00 0.00 C ATOM 1366 C ARG A 103 10.449 2.247 1.770 1.00 0.00 C ATOM 1367 O ARG A 103 11.334 2.180 2.621 1.00 0.00 O ATOM 1368 CB ARG A 103 8.303 3.311 2.521 1.00 0.00 C ATOM 1369 CG ARG A 103 9.131 4.247 3.396 1.00 0.00 C ATOM 1370 CD ARG A 103 9.380 3.679 4.787 1.00 0.00 C ATOM 1371 NE ARG A 103 8.140 3.328 5.481 1.00 0.00 N ATOM 1372 CZ ARG A 103 8.004 3.321 6.811 1.00 0.00 C ATOM 1373 NH1 ARG A 103 9.013 3.679 7.592 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.851 2.949 7.353 1.00 0.00 N ATOM 0 H ARG A 103 9.036 1.407 4.153 1.00 0.00 H new ATOM 0 HA ARG A 103 8.475 1.583 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.031 3.839 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.375 3.078 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.087 4.442 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.618 5.205 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.010 2.793 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.930 4.409 5.381 1.00 0.00 H new ATOM 0 HE ARG A 103 7.330 3.073 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.902 3.963 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.901 3.671 8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.073 2.670 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.743 2.942 8.367 1.00 0.00 H new ATOM 1385 N ALA A 104 10.690 2.523 0.504 1.00 0.00 N ATOM 1386 CA ALA A 104 12.038 2.788 0.029 1.00 0.00 C ATOM 1387 C ALA A 104 12.210 4.256 -0.331 1.00 0.00 C ATOM 1388 O ALA A 104 13.009 4.608 -1.197 1.00 0.00 O ATOM 1389 CB ALA A 104 12.344 1.919 -1.177 1.00 0.00 C ATOM 0 H ALA A 104 9.970 2.570 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 104 12.736 2.549 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.356 2.124 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.262 0.868 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.634 2.139 -1.974 1.00 0.00 H new ATOM 1395 N SER A 105 11.458 5.112 0.335 1.00 0.00 N ATOM 1396 CA SER A 105 11.518 6.537 0.067 1.00 0.00 C ATOM 1397 C SER A 105 11.091 7.349 1.283 1.00 0.00 C ATOM 1398 O SER A 105 11.892 7.602 2.181 1.00 0.00 O ATOM 1399 CB SER A 105 10.648 6.869 -1.148 1.00 0.00 C ATOM 1400 OG SER A 105 11.194 6.319 -2.336 1.00 0.00 O ATOM 0 H SER A 105 10.798 4.846 1.066 1.00 0.00 H new ATOM 0 HA SER A 105 12.551 6.806 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.641 6.481 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.561 7.951 -1.252 1.00 0.00 H new ATOM 0 HG SER A 105 11.979 5.775 -2.114 1.00 0.00 H new ATOM 1405 N ASN A 106 9.824 7.730 1.292 1.00 0.00 N ATOM 1406 CA ASN A 106 9.225 8.518 2.375 1.00 0.00 C ATOM 1407 C ASN A 106 9.755 9.944 2.389 1.00 0.00 C ATOM 1408 O ASN A 106 10.898 10.200 2.767 1.00 0.00 O ATOM 1409 CB ASN A 106 9.441 7.861 3.745 1.00 0.00 C ATOM 1410 CG ASN A 106 8.963 8.737 4.889 1.00 0.00 C ATOM 1411 OD1 ASN A 106 9.725 9.520 5.450 1.00 0.00 O ATOM 1412 ND2 ASN A 106 7.694 8.613 5.244 1.00 0.00 N ATOM 0 H ASN A 106 9.170 7.502 0.543 1.00 0.00 H new ATOM 0 HA ASN A 106 8.153 8.551 2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.912 6.908 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.501 7.642 3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.320 9.178 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.090 7.952 4.755 1.00 0.00 H new ATOM 1418 N ALA A 107 8.916 10.868 1.970 1.00 0.00 N ATOM 1419 CA ALA A 107 9.287 12.272 1.947 1.00 0.00 C ATOM 1420 C ALA A 107 8.845 12.951 3.235 1.00 0.00 C ATOM 1421 O ALA A 107 9.606 13.702 3.847 1.00 0.00 O ATOM 1422 CB ALA A 107 8.685 12.971 0.737 1.00 0.00 C ATOM 0 H ALA A 107 7.971 10.674 1.640 1.00 0.00 H new ATOM 0 HA ALA A 107 10.372 12.342 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.977 14.021 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.048 12.497 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.598 12.896 0.777 1.00 0.00 H new ATOM 1428 N ASP A 108 7.623 12.659 3.657 1.00 0.00 N ATOM 1429 CA ASP A 108 7.072 13.245 4.873 1.00 0.00 C ATOM 1430 C ASP A 108 6.313 12.185 5.672 1.00 0.00 C ATOM 1431 O ASP A 108 6.169 11.048 5.215 1.00 0.00 O ATOM 1432 CB ASP A 108 6.142 14.410 4.516 1.00 0.00 C ATOM 1433 CG ASP A 108 5.996 15.416 5.642 1.00 0.00 C ATOM 1434 OD1 ASP A 108 5.162 15.204 6.544 1.00 0.00 O ATOM 1435 OD2 ASP A 108 6.721 16.432 5.631 1.00 0.00 O ATOM 0 H ASP A 108 6.992 12.019 3.175 1.00 0.00 H new ATOM 0 HA ASP A 108 7.890 13.623 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.526 14.917 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.159 14.017 4.257 1.00 0.00 H new ATOM 1439 N HIS A 109 5.819 12.576 6.849 1.00 0.00 N ATOM 1440 CA HIS A 109 5.074 11.709 7.748 1.00 0.00 C ATOM 1441 C HIS A 109 5.914 10.570 8.321 1.00 0.00 C ATOM 1442 O HIS A 109 6.847 10.062 7.694 1.00 0.00 O ATOM 1443 CB HIS A 109 3.834 11.142 7.071 1.00 0.00 C ATOM 1444 CG HIS A 109 2.739 12.139 6.842 1.00 0.00 C ATOM 1445 ND1 HIS A 109 1.526 12.080 7.497 1.00 0.00 N ATOM 1446 CD2 HIS A 109 2.666 13.213 6.017 1.00 0.00 C ATOM 1447 CE1 HIS A 109 0.757 13.073 7.087 1.00 0.00 C ATOM 1448 NE2 HIS A 109 1.424 13.772 6.190 1.00 0.00 N ATOM 0 H HIS A 109 5.931 13.525 7.206 1.00 0.00 H new ATOM 0 HA HIS A 109 4.773 12.343 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 109 4.124 10.713 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.444 10.327 7.680 1.00 0.00 H new ATOM 0 HD1 HIS A 109 1.264 11.379 8.190 1.00 0.00 H new ATOM 0 HD2 HIS A 109 3.440 13.563 5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -0.247 13.277 7.428 1.00 0.00 H new ATOM 1456 N VAL A 110 5.556 10.181 9.530 1.00 0.00 N ATOM 1457 CA VAL A 110 6.224 9.098 10.232 1.00 0.00 C ATOM 1458 C VAL A 110 5.221 7.993 10.513 1.00 0.00 C ATOM 1459 O VAL A 110 4.451 8.052 11.474 1.00 0.00 O ATOM 1460 CB VAL A 110 6.868 9.566 11.558 1.00 0.00 C ATOM 1461 CG1 VAL A 110 7.583 8.412 12.246 1.00 0.00 C ATOM 1462 CG2 VAL A 110 7.831 10.713 11.313 1.00 0.00 C ATOM 0 H VAL A 110 4.792 10.607 10.055 1.00 0.00 H new ATOM 0 HA VAL A 110 7.028 8.732 9.593 1.00 0.00 H new ATOM 0 HB VAL A 110 6.072 9.919 12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.029 8.763 13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.868 7.618 12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.365 8.027 11.592 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.272 11.026 12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.620 10.387 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.294 11.551 10.869 1.00 0.00 H new ATOM 1472 N LEU A 111 5.221 6.996 9.651 1.00 0.00 N ATOM 1473 CA LEU A 111 4.304 5.879 9.782 1.00 0.00 C ATOM 1474 C LEU A 111 5.013 4.655 10.360 1.00 0.00 C ATOM 1475 O LEU A 111 5.412 3.739 9.639 1.00 0.00 O ATOM 1476 CB LEU A 111 3.638 5.552 8.433 1.00 0.00 C ATOM 1477 CG LEU A 111 4.572 5.185 7.270 1.00 0.00 C ATOM 1478 CD1 LEU A 111 3.788 4.500 6.165 1.00 0.00 C ATOM 1479 CD2 LEU A 111 5.270 6.418 6.713 1.00 0.00 C ATOM 0 H LEU A 111 5.848 6.936 8.849 1.00 0.00 H new ATOM 0 HA LEU A 111 3.518 6.168 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.946 4.724 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.042 6.413 8.131 1.00 0.00 H new ATOM 0 HG LEU A 111 5.331 4.504 7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.461 4.245 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.329 3.591 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.011 5.172 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.924 6.126 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.524 7.125 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.862 6.887 7.499 1.00 0.00 H new ATOM 1490 N LYS A 112 5.178 4.658 11.673 1.00 0.00 N ATOM 1491 CA LYS A 112 5.826 3.556 12.364 1.00 0.00 C ATOM 1492 C LYS A 112 4.834 2.885 13.304 1.00 0.00 C ATOM 1493 O LYS A 112 4.478 3.437 14.346 1.00 0.00 O ATOM 1494 CB LYS A 112 7.041 4.055 13.148 1.00 0.00 C ATOM 1495 CG LYS A 112 7.834 2.947 13.822 1.00 0.00 C ATOM 1496 CD LYS A 112 9.012 3.506 14.600 1.00 0.00 C ATOM 1497 CE LYS A 112 9.837 2.404 15.249 1.00 0.00 C ATOM 1498 NZ LYS A 112 10.442 1.489 14.246 1.00 0.00 N ATOM 0 H LYS A 112 4.870 5.415 12.283 1.00 0.00 H new ATOM 0 HA LYS A 112 6.168 2.830 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.699 4.600 12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.707 4.763 13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.183 2.389 14.495 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.193 2.244 13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.646 4.088 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.649 4.188 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.627 2.852 15.853 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.204 1.830 15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.151 0.885 14.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.700 0.893 13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.900 2.048 13.498 1.00 0.00 H new ATOM 1508 N SER A 113 4.382 1.703 12.922 1.00 0.00 N ATOM 1509 CA SER A 113 3.425 0.954 13.721 1.00 0.00 C ATOM 1510 C SER A 113 4.095 0.399 14.970 1.00 0.00 C ATOM 1511 O SER A 113 3.588 0.561 16.080 1.00 0.00 O ATOM 1512 CB SER A 113 2.823 -0.178 12.883 1.00 0.00 C ATOM 1513 OG SER A 113 2.253 0.327 11.683 1.00 0.00 O ATOM 0 H SER A 113 4.664 1.238 12.059 1.00 0.00 H new ATOM 0 HA SER A 113 2.624 1.623 14.035 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.595 -0.909 12.644 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.060 -0.698 13.462 1.00 0.00 H new ATOM 0 HG SER A 113 2.059 -0.417 11.075 1.00 0.00 H new ATOM 1518 N SER A 114 5.234 -0.238 14.769 1.00 0.00 N ATOM 1519 CA SER A 114 6.006 -0.831 15.850 1.00 0.00 C ATOM 1520 C SER A 114 5.191 -1.952 16.469 1.00 0.00 C ATOM 1521 O SER A 114 4.539 -1.780 17.507 1.00 0.00 O ATOM 1522 CB SER A 114 6.399 0.220 16.901 1.00 0.00 C ATOM 1523 OG SER A 114 7.290 -0.322 17.864 1.00 0.00 O ATOM 0 H SER A 114 5.653 -0.360 13.847 1.00 0.00 H new ATOM 0 HA SER A 114 6.936 -1.235 15.451 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.867 1.073 16.409 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.504 0.592 17.399 1.00 0.00 H new ATOM 0 HG SER A 114 7.524 0.369 18.519 1.00 0.00 H new ATOM 1528 N SER A 115 5.216 -3.094 15.800 1.00 0.00 N ATOM 1529 CA SER A 115 4.471 -4.256 16.230 1.00 0.00 C ATOM 1530 C SER A 115 4.841 -4.647 17.663 1.00 0.00 C ATOM 1531 O SER A 115 3.969 -4.802 18.518 1.00 0.00 O ATOM 1532 CB SER A 115 4.739 -5.416 15.272 1.00 0.00 C ATOM 1533 OG SER A 115 4.596 -5.001 13.920 1.00 0.00 O ATOM 0 H SER A 115 5.754 -3.237 14.945 1.00 0.00 H new ATOM 0 HA SER A 115 3.408 -4.016 16.217 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.746 -5.801 15.434 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.048 -6.233 15.481 1.00 0.00 H new ATOM 0 HG SER A 115 4.774 -5.759 13.325 1.00 0.00 H new ATOM 1538 N GLU A 116 6.135 -4.776 17.921 1.00 0.00 N ATOM 1539 CA GLU A 116 6.620 -5.139 19.246 1.00 0.00 C ATOM 1540 C GLU A 116 7.210 -3.921 19.944 1.00 0.00 C ATOM 1541 O GLU A 116 6.499 -3.297 20.762 1.00 0.00 O ATOM 1542 CB GLU A 116 7.666 -6.258 19.170 1.00 0.00 C ATOM 1543 CG GLU A 116 7.082 -7.655 19.005 1.00 0.00 C ATOM 1544 CD GLU A 116 6.367 -7.858 17.687 1.00 0.00 C ATOM 1545 OE1 GLU A 116 7.044 -7.924 16.645 1.00 0.00 O ATOM 1546 OE2 GLU A 116 5.124 -7.981 17.690 1.00 0.00 O ATOM 0 H GLU A 116 6.870 -4.634 17.228 1.00 0.00 H new ATOM 0 HA GLU A 116 5.771 -5.507 19.823 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.336 -6.056 18.334 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.271 -6.235 20.076 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.884 -8.388 19.091 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.385 -7.848 19.821 1.00 0.00 H new TER 1551 GLU A 116