USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -161:sc= -14.1! (180deg=-15.9!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -9! C(o=-23!,f=-23!) USER MOD Set 2.1: A 100 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Set 2.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 89 CYS SG : rot -60:sc= -2.77 USER MOD Set 3.2: A 91 GLN : amide:sc= -0.0382 X(o=-2.8,f=-2.7) USER MOD Set 4.1: A 51 SER OG : rot -98:sc= 1.18 USER MOD Set 4.2: A 52 HIS : no HE2:sc= -7.98! C(o=-5.4!,f=-8.6!) USER MOD Set 4.3: A 65 THR OG1 : rot -63:sc= 1.37 USER MOD Single : A 3 SER OG : rot 22:sc= 0.294 USER MOD Single : A 9 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.9!) USER MOD Single : A 12 THR OG1 : rot -120:sc= -0.142 USER MOD Single : A 14 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.33 USER MOD Single : A 23 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.58!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -108:sc= -3.64! USER MOD Single : A 33 GLN : amide:sc= -4.3! C(o=-4.3!,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.7!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -11.8! C(o=-12!,f=-9.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -175:sc=0.000439 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= -0.257 (180deg=-1.19) USER MOD Single : A 66 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.9!) USER MOD Single : A 69 SER OG : rot -175:sc= -0.647 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0164 USER MOD Single : A 98 SER OG : rot -17:sc= 0.206 USER MOD Single : A 105 MET CE :methyl -163:sc= -3.54 (180deg=-4.98!) USER MOD Single : A 107 HIS : no HE2:sc= -5.52! C(o=-5.5!,f=-7.9!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 109:sc= -3.63! USER MOD Single : A 118 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 122 TYR OH : rot 27:sc= 0.242 USER MOD Single : A 124 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-4.2!) USER MOD Single : A 133 MET CE :methyl 150:sc= -2! (180deg=-3.87!) USER MOD Single : A 135 SER OG : rot -93:sc= 1.12 USER MOD Single : A 138 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 139 GLN : amide:sc= -3.95 K(o=-4,f=-8.3!) USER MOD Single : A 141 MET CE :methyl -144:sc= -11.4! (180deg=-12!) USER MOD Single : A 142 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.802 5.382 -15.549 1.00 1.94 N ATOM 2 CA SER A 3 5.351 5.499 -15.241 1.00 1.63 C ATOM 3 C SER A 3 5.015 4.843 -13.906 1.00 1.31 C ATOM 4 O SER A 3 4.657 3.666 -13.852 1.00 1.66 O ATOM 5 CB SER A 3 4.556 4.839 -16.370 1.00 1.81 C ATOM 6 OG SER A 3 5.036 5.247 -17.639 1.00 2.13 O ATOM 0 HA SER A 3 5.087 6.554 -15.163 1.00 1.63 H new ATOM 0 HB2 SER A 3 4.626 3.755 -16.283 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.502 5.099 -16.276 1.00 1.81 H new ATOM 0 HG SER A 3 5.956 5.573 -17.551 1.00 2.13 H new ATOM 12 N VAL A 4 5.132 5.613 -12.829 1.00 1.30 N ATOM 13 CA VAL A 4 4.838 5.110 -11.493 1.00 1.06 C ATOM 14 C VAL A 4 3.379 5.368 -11.128 1.00 0.93 C ATOM 15 O VAL A 4 3.032 6.442 -10.634 1.00 1.44 O ATOM 16 CB VAL A 4 5.759 5.758 -10.435 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.770 7.272 -10.588 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.342 5.356 -9.024 1.00 2.29 C ATOM 0 H VAL A 4 5.429 6.589 -12.856 1.00 1.30 H new ATOM 0 HA VAL A 4 5.020 4.035 -11.501 1.00 1.06 H new ATOM 0 HB VAL A 4 6.772 5.391 -10.599 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.424 7.709 -9.834 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.135 7.535 -11.581 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.759 7.658 -10.459 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.007 5.826 -8.300 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.318 5.681 -8.841 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.402 4.272 -8.922 1.00 2.29 H new ATOM 22 N LEU A 5 2.530 4.379 -11.380 1.00 0.94 N ATOM 23 CA LEU A 5 1.107 4.499 -11.083 1.00 1.34 C ATOM 24 C LEU A 5 0.766 3.835 -9.753 1.00 1.09 C ATOM 25 O LEU A 5 1.188 2.711 -9.480 1.00 1.34 O ATOM 26 CB LEU A 5 0.277 3.875 -12.206 1.00 2.05 C ATOM 27 CG LEU A 5 -0.979 4.656 -12.597 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.666 5.647 -13.708 1.00 3.92 C ATOM 29 CD2 LEU A 5 -2.086 3.705 -13.025 1.00 3.33 C ATOM 0 H LEU A 5 2.802 3.485 -11.789 1.00 0.94 H new ATOM 0 HA LEU A 5 0.867 5.560 -11.008 1.00 1.34 H new ATOM 0 HB2 LEU A 5 0.909 3.769 -13.088 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.018 2.871 -11.903 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.323 5.214 -11.726 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.571 6.194 -13.973 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.095 6.349 -13.366 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.297 5.110 -14.582 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.972 4.278 -13.300 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.752 3.120 -13.882 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.329 3.035 -12.201 1.00 3.33 H new ATOM 35 N VAL A 6 -0.005 4.537 -8.931 1.00 0.88 N ATOM 36 CA VAL A 6 -0.411 4.017 -7.632 1.00 0.75 C ATOM 37 C VAL A 6 -1.929 4.054 -7.489 1.00 0.75 C ATOM 38 O VAL A 6 -2.576 5.021 -7.894 1.00 1.03 O ATOM 39 CB VAL A 6 0.234 4.815 -6.480 1.00 0.94 C ATOM 40 CG1 VAL A 6 -0.164 6.282 -6.556 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.142 4.218 -5.130 1.00 1.02 C ATOM 0 H VAL A 6 -0.362 5.469 -9.142 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.068 2.984 -7.573 1.00 0.75 H new ATOM 0 HB VAL A 6 1.317 4.751 -6.585 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.301 6.828 -5.735 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.170 6.701 -7.505 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -1.248 6.369 -6.482 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.324 4.797 -4.333 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.225 4.243 -5.010 1.00 1.02 H new ATOM 0 HG23 VAL A 6 0.205 3.186 -5.079 1.00 1.02 H new ATOM 45 N ASP A 7 -2.495 2.996 -6.921 1.00 0.72 N ATOM 46 CA ASP A 7 -3.941 2.915 -6.740 1.00 0.83 C ATOM 47 C ASP A 7 -4.329 3.097 -5.275 1.00 0.75 C ATOM 48 O ASP A 7 -3.721 2.512 -4.379 1.00 0.99 O ATOM 49 CB ASP A 7 -4.469 1.575 -7.257 1.00 1.02 C ATOM 50 CG ASP A 7 -5.743 1.728 -8.064 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.807 1.964 -7.454 1.00 2.33 O ATOM 52 OD2 ASP A 7 -5.676 1.614 -9.307 1.00 2.52 O ATOM 0 H ASP A 7 -1.979 2.186 -6.579 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.393 3.724 -7.314 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -3.706 1.101 -7.874 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -4.654 0.911 -6.413 1.00 1.02 H new ATOM 57 N LEU A 8 -5.352 3.912 -5.049 1.00 0.63 N ATOM 58 CA LEU A 8 -5.847 4.183 -3.704 1.00 0.74 C ATOM 59 C LEU A 8 -7.366 4.051 -3.671 1.00 0.59 C ATOM 60 O LEU A 8 -8.084 5.009 -3.960 1.00 0.79 O ATOM 61 CB LEU A 8 -5.436 5.594 -3.265 1.00 1.20 C ATOM 62 CG LEU A 8 -4.929 5.720 -1.825 1.00 0.83 C ATOM 63 CD1 LEU A 8 -5.771 4.876 -0.877 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.463 5.325 -1.739 1.00 1.52 C ATOM 0 H LEU A 8 -5.859 4.401 -5.787 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.412 3.458 -3.016 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -4.656 5.951 -3.938 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -6.292 6.257 -3.389 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.022 6.763 -1.521 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -5.391 4.982 0.139 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -6.807 5.212 -0.914 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -5.718 3.829 -1.177 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -3.120 5.421 -0.709 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.345 4.292 -2.066 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -2.872 5.979 -2.380 1.00 1.52 H new ATOM 70 N GLN A 9 -7.858 2.858 -3.343 1.00 0.65 N ATOM 71 CA GLN A 9 -9.301 2.626 -3.308 1.00 0.80 C ATOM 72 C GLN A 9 -9.808 2.328 -1.897 1.00 0.79 C ATOM 73 O GLN A 9 -9.116 1.714 -1.080 1.00 0.81 O ATOM 74 CB GLN A 9 -9.682 1.481 -4.251 1.00 1.03 C ATOM 75 CG GLN A 9 -8.648 0.370 -4.320 1.00 1.27 C ATOM 76 CD GLN A 9 -9.225 -0.931 -4.843 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.437 -1.140 -4.820 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.355 -1.815 -5.319 1.00 2.59 N ATOM 0 H GLN A 9 -7.288 2.047 -3.101 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.779 3.547 -3.641 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -10.634 1.059 -3.928 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.835 1.884 -5.252 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -7.826 0.683 -4.963 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -8.231 0.205 -3.327 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.358 -1.600 -5.319 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.684 -2.709 -5.685 1.00 2.59 H new ATOM 85 N ILE A 10 -11.036 2.767 -1.634 1.00 0.83 N ATOM 86 CA ILE A 10 -11.680 2.561 -0.342 1.00 0.86 C ATOM 87 C ILE A 10 -12.863 1.605 -0.488 1.00 1.02 C ATOM 88 O ILE A 10 -13.594 1.657 -1.477 1.00 1.23 O ATOM 89 CB ILE A 10 -12.155 3.910 0.261 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.146 4.402 1.311 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.560 3.798 0.852 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.586 4.204 2.750 1.00 1.19 C ATOM 0 H ILE A 10 -11.610 3.273 -2.308 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.949 2.121 0.337 1.00 0.86 H new ATOM 0 HB ILE A 10 -12.206 4.644 -0.543 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -10.200 3.882 1.159 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.957 5.463 1.145 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.859 4.761 1.265 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -14.261 3.505 0.071 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.563 3.048 1.643 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -10.814 4.579 3.422 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.514 4.748 2.925 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.746 3.142 2.939 1.00 1.19 H new ATOM 96 N ALA A 11 -13.043 0.731 0.496 1.00 0.97 N ATOM 97 CA ALA A 11 -14.136 -0.233 0.464 1.00 1.15 C ATOM 98 C ALA A 11 -14.768 -0.412 1.843 1.00 1.15 C ATOM 99 O ALA A 11 -15.527 -1.355 2.067 1.00 1.32 O ATOM 100 CB ALA A 11 -13.638 -1.568 -0.067 1.00 1.30 C ATOM 0 H ALA A 11 -12.449 0.670 1.323 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.906 0.154 -0.204 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.462 -2.282 -0.087 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.248 -1.436 -1.076 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -12.847 -1.945 0.581 1.00 1.30 H new ATOM 106 N THR A 12 -14.456 0.497 2.764 1.00 1.10 N ATOM 107 CA THR A 12 -14.999 0.429 4.116 1.00 1.29 C ATOM 108 C THR A 12 -16.479 0.798 4.127 1.00 1.72 C ATOM 109 O THR A 12 -17.018 1.280 3.131 1.00 2.07 O ATOM 110 CB THR A 12 -14.224 1.359 5.050 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.745 1.292 6.366 1.00 1.78 O ATOM 112 CG2 THR A 12 -14.257 2.809 4.615 1.00 1.29 C ATOM 0 H THR A 12 -13.832 1.287 2.598 1.00 1.10 H new ATOM 0 HA THR A 12 -14.895 -0.597 4.469 1.00 1.29 H new ATOM 0 HB THR A 12 -13.192 1.011 5.015 1.00 1.15 H new ATOM 0 HG1 THR A 12 -15.057 2.180 6.640 1.00 1.78 H new ATOM 0 HG21 THR A 12 -13.688 3.414 5.321 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.817 2.901 3.622 1.00 1.29 H new ATOM 0 HG23 THR A 12 -15.289 3.157 4.588 1.00 1.29 H new ATOM 117 N GLU A 13 -17.129 0.568 5.263 1.00 2.10 N ATOM 118 CA GLU A 13 -18.546 0.876 5.410 1.00 2.62 C ATOM 119 C GLU A 13 -18.741 2.134 6.252 1.00 2.49 C ATOM 120 O GLU A 13 -19.700 2.880 6.059 1.00 2.85 O ATOM 121 CB GLU A 13 -19.279 -0.303 6.051 1.00 3.24 C ATOM 122 CG GLU A 13 -20.623 -0.607 5.407 1.00 3.89 C ATOM 123 CD GLU A 13 -21.363 -1.730 6.106 1.00 4.72 C ATOM 124 OE1 GLU A 13 -22.086 -1.446 7.084 1.00 5.27 O ATOM 125 OE2 GLU A 13 -21.219 -2.894 5.676 1.00 5.17 O ATOM 0 H GLU A 13 -16.696 0.169 6.096 1.00 2.10 H new ATOM 0 HA GLU A 13 -18.962 1.056 4.419 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -18.647 -1.189 5.990 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.432 -0.093 7.110 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.239 0.292 5.419 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.469 -0.874 4.361 1.00 3.89 H new ATOM 132 N ASN A 14 -17.822 2.361 7.185 1.00 2.26 N ATOM 133 CA ASN A 14 -17.889 3.526 8.058 1.00 2.51 C ATOM 134 C ASN A 14 -16.497 3.921 8.542 1.00 1.99 C ATOM 135 O ASN A 14 -15.773 3.105 9.111 1.00 1.78 O ATOM 136 CB ASN A 14 -18.796 3.242 9.255 1.00 3.10 C ATOM 137 CG ASN A 14 -20.245 3.050 8.849 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.003 4.014 8.742 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.636 1.802 8.622 1.00 4.18 N ATOM 0 H ASN A 14 -17.021 1.752 7.356 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.305 4.355 7.486 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -18.444 2.348 9.770 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -18.726 4.067 9.964 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -21.599 1.612 8.347 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -19.973 1.033 8.723 1.00 4.18 H new ATOM 144 N ILE A 15 -16.129 5.177 8.310 1.00 2.45 N ATOM 145 CA ILE A 15 -14.822 5.678 8.722 1.00 2.24 C ATOM 146 C ILE A 15 -14.892 7.154 9.102 1.00 1.60 C ATOM 147 O ILE A 15 -15.963 7.759 9.087 1.00 1.92 O ATOM 148 CB ILE A 15 -13.758 5.496 7.616 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.411 5.466 6.230 1.00 2.89 C ATOM 150 CG2 ILE A 15 -12.958 4.226 7.856 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.163 6.734 5.887 1.00 3.61 C ATOM 0 H ILE A 15 -16.716 5.866 7.840 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.528 5.090 9.592 1.00 2.24 H new ATOM 0 HB ILE A 15 -13.079 6.348 7.652 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.640 5.296 5.478 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.098 4.621 6.179 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.213 4.111 7.069 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.458 4.288 8.823 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.629 3.367 7.849 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.599 6.641 4.892 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.956 6.895 6.617 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.476 7.580 5.905 1.00 3.61 H new ATOM 155 N GLU A 16 -13.741 7.724 9.441 1.00 1.45 N ATOM 156 CA GLU A 16 -13.666 9.127 9.826 1.00 1.67 C ATOM 157 C GLU A 16 -13.406 10.012 8.609 1.00 1.94 C ATOM 158 O GLU A 16 -12.491 10.836 8.610 1.00 2.67 O ATOM 159 CB GLU A 16 -12.563 9.329 10.867 1.00 2.11 C ATOM 160 CG GLU A 16 -12.941 10.299 11.975 1.00 3.11 C ATOM 161 CD GLU A 16 -11.781 10.606 12.901 1.00 3.84 C ATOM 162 OE1 GLU A 16 -10.696 10.962 12.395 1.00 4.53 O ATOM 163 OE2 GLU A 16 -11.957 10.491 14.132 1.00 4.13 O ATOM 0 H GLU A 16 -12.846 7.235 9.457 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.624 9.414 10.260 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.312 8.365 11.310 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -11.666 9.694 10.367 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.303 11.227 11.533 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -13.763 9.880 12.555 1.00 3.11 H new ATOM 170 N GLY A 17 -14.219 9.836 7.572 1.00 1.95 N ATOM 171 CA GLY A 17 -14.062 10.625 6.365 1.00 2.86 C ATOM 172 C GLY A 17 -13.493 9.818 5.216 1.00 2.74 C ATOM 173 O GLY A 17 -12.384 9.291 5.307 1.00 3.16 O ATOM 0 H GLY A 17 -14.983 9.161 7.547 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -15.029 11.034 6.074 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -13.407 11.471 6.570 1.00 2.86 H new ATOM 177 N LEU A 18 -14.254 9.719 4.131 1.00 2.64 N ATOM 178 CA LEU A 18 -13.822 8.969 2.956 1.00 2.63 C ATOM 179 C LEU A 18 -12.507 9.523 2.408 1.00 2.01 C ATOM 180 O LEU A 18 -12.475 10.617 1.846 1.00 2.22 O ATOM 181 CB LEU A 18 -14.899 9.019 1.871 1.00 3.46 C ATOM 182 CG LEU A 18 -16.062 8.046 2.068 1.00 3.97 C ATOM 183 CD1 LEU A 18 -15.562 6.610 2.072 1.00 4.46 C ATOM 184 CD2 LEU A 18 -16.805 8.359 3.359 1.00 4.91 C ATOM 0 H LEU A 18 -15.174 10.149 4.041 1.00 2.64 H new ATOM 0 HA LEU A 18 -13.663 7.933 3.255 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -15.297 10.032 1.822 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.432 8.813 0.908 1.00 3.46 H new ATOM 0 HG LEU A 18 -16.755 8.164 1.235 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -16.404 5.932 2.213 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -15.076 6.391 1.121 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.848 6.476 2.884 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -17.630 7.657 3.484 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -16.121 8.269 4.203 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -17.197 9.375 3.316 1.00 4.91 H new ATOM 190 N PRO A 19 -11.399 8.773 2.560 1.00 1.58 N ATOM 191 CA PRO A 19 -10.085 9.203 2.071 1.00 1.46 C ATOM 192 C PRO A 19 -10.095 9.494 0.574 1.00 1.48 C ATOM 193 O PRO A 19 -10.856 8.886 -0.179 1.00 2.32 O ATOM 194 CB PRO A 19 -9.174 8.010 2.376 1.00 1.63 C ATOM 195 CG PRO A 19 -9.869 7.262 3.460 1.00 1.84 C ATOM 196 CD PRO A 19 -11.338 7.453 3.213 1.00 1.84 C ATOM 0 HA PRO A 19 -9.761 10.130 2.544 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -9.032 7.386 1.494 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.185 8.340 2.695 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.603 6.205 3.438 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.585 7.642 4.441 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.745 6.669 2.575 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.908 7.436 4.142 1.00 1.84 H new ATOM 204 N THR A 20 -9.248 10.424 0.148 1.00 1.19 N ATOM 205 CA THR A 20 -9.163 10.792 -1.262 1.00 1.25 C ATOM 206 C THR A 20 -7.804 10.403 -1.839 1.00 1.21 C ATOM 207 O THR A 20 -6.760 10.725 -1.271 1.00 1.19 O ATOM 208 CB THR A 20 -9.413 12.295 -1.444 1.00 1.39 C ATOM 209 OG1 THR A 20 -8.193 13.012 -1.483 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.266 12.907 -0.352 1.00 2.03 C ATOM 0 H THR A 20 -8.611 10.937 0.757 1.00 1.19 H new ATOM 0 HA THR A 20 -9.935 10.246 -1.804 1.00 1.25 H new ATOM 0 HB THR A 20 -9.950 12.375 -2.389 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.366 13.936 -1.759 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.400 13.971 -0.548 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.239 12.416 -0.333 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.774 12.775 0.611 1.00 2.03 H new ATOM 215 N GLU A 21 -7.828 9.696 -2.965 1.00 1.30 N ATOM 216 CA GLU A 21 -6.603 9.245 -3.620 1.00 1.28 C ATOM 217 C GLU A 21 -5.712 10.414 -4.027 1.00 1.19 C ATOM 218 O GLU A 21 -4.518 10.413 -3.741 1.00 1.10 O ATOM 219 CB GLU A 21 -6.938 8.396 -4.846 1.00 1.44 C ATOM 220 CG GLU A 21 -7.862 9.086 -5.836 1.00 1.56 C ATOM 221 CD GLU A 21 -8.342 8.154 -6.931 1.00 1.94 C ATOM 222 OE1 GLU A 21 -9.311 7.403 -6.690 1.00 2.54 O ATOM 223 OE2 GLU A 21 -7.749 8.173 -8.030 1.00 2.04 O ATOM 0 H GLU A 21 -8.685 9.422 -3.445 1.00 1.30 H new ATOM 0 HA GLU A 21 -6.052 8.641 -2.899 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -6.012 8.127 -5.354 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.402 7.466 -4.517 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.723 9.489 -5.303 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.341 9.931 -6.286 1.00 1.56 H new ATOM 230 N GLU A 22 -6.284 11.404 -4.704 1.00 1.24 N ATOM 231 CA GLU A 22 -5.512 12.563 -5.155 1.00 1.18 C ATOM 232 C GLU A 22 -4.600 13.091 -4.048 1.00 1.05 C ATOM 233 O GLU A 22 -3.390 13.222 -4.240 1.00 0.99 O ATOM 234 CB GLU A 22 -6.444 13.675 -5.641 1.00 1.26 C ATOM 235 CG GLU A 22 -7.565 14.002 -4.671 1.00 1.93 C ATOM 236 CD GLU A 22 -8.728 14.708 -5.339 1.00 2.47 C ATOM 237 OE1 GLU A 22 -8.661 15.946 -5.494 1.00 3.23 O ATOM 238 OE2 GLU A 22 -9.705 14.024 -5.710 1.00 2.76 O ATOM 0 H GLU A 22 -7.273 11.430 -4.953 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.885 12.237 -5.985 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -5.857 14.576 -5.820 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -6.877 13.381 -6.597 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -7.921 13.081 -4.209 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.175 14.630 -3.870 1.00 1.93 H new ATOM 245 N GLN A 23 -5.181 13.386 -2.889 1.00 1.02 N ATOM 246 CA GLN A 23 -4.412 13.895 -1.758 1.00 0.93 C ATOM 247 C GLN A 23 -3.361 12.883 -1.309 1.00 0.82 C ATOM 248 O GLN A 23 -2.162 13.159 -1.351 1.00 0.77 O ATOM 249 CB GLN A 23 -5.344 14.237 -0.593 1.00 0.99 C ATOM 250 CG GLN A 23 -5.213 15.674 -0.112 1.00 0.97 C ATOM 251 CD GLN A 23 -4.501 15.780 1.222 1.00 1.14 C ATOM 252 OE1 GLN A 23 -5.058 15.440 2.265 1.00 2.08 O ATOM 253 NE2 GLN A 23 -3.261 16.256 1.195 1.00 1.09 N ATOM 0 H GLN A 23 -6.179 13.282 -2.708 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.898 14.801 -2.080 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -6.375 14.057 -0.898 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.135 13.564 0.238 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.669 16.254 -0.857 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -6.206 16.116 -0.026 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -2.838 16.526 0.307 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -2.732 16.351 2.062 1.00 1.09 H new ATOM 260 N ILE A 24 -3.819 11.710 -0.883 1.00 0.83 N ATOM 261 CA ILE A 24 -2.919 10.654 -0.427 1.00 0.74 C ATOM 262 C ILE A 24 -1.895 10.304 -1.504 1.00 0.69 C ATOM 263 O ILE A 24 -0.687 10.454 -1.304 1.00 0.67 O ATOM 264 CB ILE A 24 -3.701 9.382 -0.037 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.766 9.718 1.011 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.752 8.313 0.488 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.559 8.517 1.482 1.00 1.43 C ATOM 0 H ILE A 24 -4.809 11.466 -0.844 1.00 0.83 H new ATOM 0 HA ILE A 24 -2.399 11.034 0.452 1.00 0.74 H new ATOM 0 HB ILE A 24 -4.198 8.991 -0.925 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.283 10.183 1.871 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.453 10.455 0.594 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -3.320 7.423 0.758 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -2.026 8.059 -0.285 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -2.229 8.690 1.367 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.293 8.834 2.223 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -6.072 8.064 0.633 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.884 7.788 1.929 1.00 1.43 H new ATOM 271 N VAL A 25 -2.390 9.843 -2.648 1.00 0.77 N ATOM 272 CA VAL A 25 -1.535 9.472 -3.770 1.00 0.77 C ATOM 273 C VAL A 25 -0.520 10.571 -4.078 1.00 0.74 C ATOM 274 O VAL A 25 0.687 10.334 -4.065 1.00 0.73 O ATOM 275 CB VAL A 25 -2.372 9.177 -5.032 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.476 8.918 -6.234 1.00 0.85 C ATOM 277 CG2 VAL A 25 -3.300 7.996 -4.790 1.00 1.45 C ATOM 0 H VAL A 25 -3.387 9.717 -2.823 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.999 8.568 -3.481 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.979 10.056 -5.250 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -2.092 8.713 -7.110 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.858 9.796 -6.423 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.835 8.060 -6.032 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.883 7.801 -5.690 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.709 7.114 -4.542 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.973 8.226 -3.964 1.00 1.45 H new ATOM 281 N GLN A 26 -1.016 11.775 -4.354 1.00 0.76 N ATOM 282 CA GLN A 26 -0.141 12.900 -4.661 1.00 0.77 C ATOM 283 C GLN A 26 0.827 13.161 -3.511 1.00 0.72 C ATOM 284 O GLN A 26 2.028 13.320 -3.717 1.00 0.71 O ATOM 285 CB GLN A 26 -0.964 14.158 -4.947 1.00 0.85 C ATOM 286 CG GLN A 26 -0.157 15.283 -5.574 1.00 0.94 C ATOM 287 CD GLN A 26 -0.399 15.413 -7.065 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.234 16.204 -7.504 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.331 14.634 -7.854 1.00 2.19 N ATOM 0 H GLN A 26 -2.012 11.994 -4.371 1.00 0.76 H new ATOM 0 HA GLN A 26 0.435 12.646 -5.551 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.789 13.899 -5.611 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -1.405 14.513 -4.016 1.00 0.85 H new ATOM 0 HG2 GLN A 26 -0.411 16.224 -5.085 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.904 15.107 -5.396 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.012 13.992 -7.448 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.211 14.677 -8.866 1.00 2.19 H new ATOM 296 N TRP A 27 0.302 13.199 -2.296 1.00 0.74 N ATOM 297 CA TRP A 27 1.130 13.437 -1.122 1.00 0.76 C ATOM 298 C TRP A 27 2.288 12.440 -1.064 1.00 0.69 C ATOM 299 O TRP A 27 3.458 12.826 -1.113 1.00 0.67 O ATOM 300 CB TRP A 27 0.271 13.343 0.147 1.00 0.92 C ATOM 301 CG TRP A 27 1.052 13.082 1.401 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.082 11.922 2.120 1.00 1.06 C ATOM 303 CD2 TRP A 27 1.913 14.000 2.085 1.00 0.79 C ATOM 304 NE1 TRP A 27 1.908 12.062 3.209 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.431 13.328 3.209 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.297 15.325 1.855 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.311 13.937 4.100 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.171 15.927 2.741 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.670 15.233 3.851 1.00 0.87 C ATOM 0 H TRP A 27 -0.690 13.069 -2.097 1.00 0.74 H new ATOM 0 HA TRP A 27 1.554 14.439 -1.189 1.00 0.76 H new ATOM 0 HB2 TRP A 27 -0.285 14.273 0.266 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.463 12.548 0.017 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.536 11.025 1.869 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.100 11.341 3.904 1.00 1.02 H new ATOM 0 HE3 TRP A 27 1.918 15.868 1.002 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.696 13.405 4.957 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.474 16.950 2.575 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.352 15.732 4.524 1.00 0.87 H new ATOM 320 N ALA A 28 1.956 11.158 -0.964 1.00 0.70 N ATOM 321 CA ALA A 28 2.969 10.112 -0.893 1.00 0.72 C ATOM 322 C ALA A 28 3.592 9.832 -2.258 1.00 0.68 C ATOM 323 O ALA A 28 4.717 10.251 -2.539 1.00 0.73 O ATOM 324 CB ALA A 28 2.369 8.840 -0.316 1.00 0.78 C ATOM 0 H ALA A 28 0.995 10.818 -0.930 1.00 0.70 H new ATOM 0 HA ALA A 28 3.764 10.465 -0.236 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.135 8.066 -0.268 1.00 0.78 H new ATOM 0 HB2 ALA A 28 1.990 9.039 0.687 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.551 8.502 -0.953 1.00 0.78 H new ATOM 330 N THR A 29 2.862 9.111 -3.102 1.00 0.63 N ATOM 331 CA THR A 29 3.358 8.763 -4.427 1.00 0.67 C ATOM 332 C THR A 29 3.738 10.005 -5.227 1.00 0.64 C ATOM 333 O THR A 29 4.744 10.005 -5.937 1.00 0.72 O ATOM 334 CB THR A 29 2.328 7.932 -5.193 1.00 0.69 C ATOM 335 OG1 THR A 29 1.214 7.624 -4.372 1.00 1.02 O ATOM 336 CG2 THR A 29 2.897 6.626 -5.706 1.00 0.74 C ATOM 0 H THR A 29 1.928 8.758 -2.893 1.00 0.63 H new ATOM 0 HA THR A 29 4.258 8.163 -4.291 1.00 0.67 H new ATOM 0 HB THR A 29 2.026 8.546 -6.042 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.234 6.673 -4.136 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.122 6.077 -6.242 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.728 6.831 -6.380 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.250 6.028 -4.866 1.00 0.74 H new ATOM 341 N GLY A 30 2.940 11.064 -5.112 1.00 0.60 N ATOM 342 CA GLY A 30 3.240 12.284 -5.839 1.00 0.64 C ATOM 343 C GLY A 30 4.621 12.813 -5.511 1.00 0.66 C ATOM 344 O GLY A 30 5.341 13.273 -6.397 1.00 0.72 O ATOM 0 H GLY A 30 2.100 11.099 -4.535 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.169 12.095 -6.910 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.495 13.042 -5.599 1.00 0.64 H new ATOM 348 N ALA A 31 4.998 12.739 -4.237 1.00 0.65 N ATOM 349 CA ALA A 31 6.308 13.208 -3.807 1.00 0.73 C ATOM 350 C ALA A 31 7.421 12.438 -4.515 1.00 0.75 C ATOM 351 O ALA A 31 8.488 12.987 -4.793 1.00 0.83 O ATOM 352 CB ALA A 31 6.448 13.075 -2.299 1.00 0.82 C ATOM 0 H ALA A 31 4.417 12.360 -3.489 1.00 0.65 H new ATOM 0 HA ALA A 31 6.399 14.261 -4.076 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.432 13.429 -1.992 1.00 0.82 H new ATOM 0 HB2 ALA A 31 5.679 13.671 -1.808 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.334 12.029 -2.014 1.00 0.82 H new ATOM 358 N VAL A 32 7.167 11.163 -4.800 1.00 0.76 N ATOM 359 CA VAL A 32 8.153 10.317 -5.472 1.00 0.87 C ATOM 360 C VAL A 32 7.970 10.313 -6.993 1.00 0.91 C ATOM 361 O VAL A 32 8.762 9.708 -7.714 1.00 1.03 O ATOM 362 CB VAL A 32 8.091 8.866 -4.956 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.724 8.261 -5.226 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.189 8.023 -5.589 1.00 1.23 C ATOM 0 H VAL A 32 6.290 10.693 -4.577 1.00 0.76 H new ATOM 0 HA VAL A 32 9.128 10.745 -5.240 1.00 0.87 H new ATOM 0 HB VAL A 32 8.252 8.878 -3.878 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.700 7.236 -4.855 1.00 1.07 H new ATOM 0 HG12 VAL A 32 5.959 8.849 -4.719 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.531 8.263 -6.299 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.128 7.002 -5.211 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.065 8.017 -6.672 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.162 8.445 -5.338 1.00 1.23 H new ATOM 368 N GLN A 33 6.929 10.983 -7.478 1.00 0.90 N ATOM 369 CA GLN A 33 6.659 11.041 -8.913 1.00 1.04 C ATOM 370 C GLN A 33 7.846 11.615 -9.689 1.00 1.07 C ATOM 371 O GLN A 33 8.350 10.979 -10.615 1.00 1.22 O ATOM 372 CB GLN A 33 5.409 11.879 -9.189 1.00 1.22 C ATOM 373 CG GLN A 33 4.109 11.134 -8.940 1.00 1.37 C ATOM 374 CD GLN A 33 3.888 9.997 -9.919 1.00 1.19 C ATOM 375 OE1 GLN A 33 3.955 10.185 -11.133 1.00 1.67 O ATOM 376 NE2 GLN A 33 3.621 8.807 -9.391 1.00 1.88 N ATOM 0 H GLN A 33 6.260 11.492 -6.901 1.00 0.90 H new ATOM 0 HA GLN A 33 6.493 10.019 -9.254 1.00 1.04 H new ATOM 0 HB2 GLN A 33 5.433 12.770 -8.561 1.00 1.22 H new ATOM 0 HB3 GLN A 33 5.431 12.218 -10.225 1.00 1.22 H new ATOM 0 HG2 GLN A 33 4.111 10.738 -7.924 1.00 1.37 H new ATOM 0 HG3 GLN A 33 3.276 11.833 -9.008 1.00 1.37 H new ATOM 0 HE21 GLN A 33 3.575 8.697 -8.378 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.462 8.003 -9.999 1.00 1.88 H new ATOM 383 N PRO A 34 8.306 12.833 -9.333 1.00 1.04 N ATOM 384 CA PRO A 34 9.427 13.497 -10.001 1.00 1.23 C ATOM 385 C PRO A 34 10.541 12.532 -10.405 1.00 1.50 C ATOM 386 O PRO A 34 11.022 12.567 -11.538 1.00 1.84 O ATOM 387 CB PRO A 34 9.936 14.500 -8.951 1.00 1.29 C ATOM 388 CG PRO A 34 8.999 14.404 -7.783 1.00 1.15 C ATOM 389 CD PRO A 34 7.774 13.676 -8.260 1.00 0.96 C ATOM 0 HA PRO A 34 9.112 13.960 -10.936 1.00 1.23 H new ATOM 0 HB2 PRO A 34 10.957 14.263 -8.650 1.00 1.29 H new ATOM 0 HB3 PRO A 34 9.950 15.512 -9.356 1.00 1.29 H new ATOM 0 HG2 PRO A 34 9.467 13.870 -6.956 1.00 1.15 H new ATOM 0 HG3 PRO A 34 8.739 15.396 -7.415 1.00 1.15 H new ATOM 0 HD2 PRO A 34 7.319 13.084 -7.466 1.00 0.96 H new ATOM 0 HD3 PRO A 34 7.010 14.362 -8.624 1.00 0.96 H new ATOM 397 N GLU A 35 10.946 11.671 -9.477 1.00 1.43 N ATOM 398 CA GLU A 35 12.001 10.702 -9.747 1.00 1.69 C ATOM 399 C GLU A 35 11.475 9.274 -9.632 1.00 1.95 C ATOM 400 O GLU A 35 12.131 8.403 -9.061 1.00 2.55 O ATOM 401 CB GLU A 35 13.175 10.910 -8.786 1.00 1.58 C ATOM 402 CG GLU A 35 14.533 10.865 -9.467 1.00 2.20 C ATOM 403 CD GLU A 35 15.660 11.287 -8.545 1.00 2.95 C ATOM 404 OE1 GLU A 35 15.832 12.506 -8.335 1.00 3.47 O ATOM 405 OE2 GLU A 35 16.374 10.397 -8.034 1.00 3.53 O ATOM 0 H GLU A 35 10.560 11.625 -8.534 1.00 1.43 H new ATOM 0 HA GLU A 35 12.348 10.857 -10.769 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.060 11.872 -8.287 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.140 10.144 -8.012 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.722 9.854 -9.827 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.519 11.517 -10.341 1.00 2.20 H new ATOM 412 N GLY A 36 10.286 9.042 -10.178 1.00 1.77 N ATOM 413 CA GLY A 36 9.692 7.719 -10.125 1.00 2.19 C ATOM 414 C GLY A 36 9.760 6.997 -11.456 1.00 1.74 C ATOM 415 O GLY A 36 9.504 7.589 -12.506 1.00 1.77 O ATOM 0 H GLY A 36 9.723 9.746 -10.656 1.00 1.77 H new ATOM 0 HA2 GLY A 36 10.203 7.125 -9.367 1.00 2.19 H new ATOM 0 HA3 GLY A 36 8.651 7.804 -9.815 1.00 2.19 H new ATOM 419 N ASN A 37 10.105 5.714 -11.413 1.00 2.06 N ATOM 420 CA ASN A 37 10.205 4.908 -12.625 1.00 2.08 C ATOM 421 C ASN A 37 8.895 4.177 -12.898 1.00 1.73 C ATOM 422 O ASN A 37 7.926 4.322 -12.153 1.00 1.94 O ATOM 423 CB ASN A 37 11.349 3.899 -12.500 1.00 3.12 C ATOM 424 CG ASN A 37 11.285 3.111 -11.206 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.610 3.626 -10.136 1.00 4.50 O ATOM 426 ND2 ASN A 37 10.867 1.855 -11.299 1.00 4.34 N ATOM 0 H ASN A 37 10.320 5.210 -10.553 1.00 2.06 H new ATOM 0 HA ASN A 37 10.410 5.576 -13.461 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.316 3.210 -13.344 1.00 3.12 H new ATOM 0 HB3 ASN A 37 12.302 4.425 -12.555 1.00 3.12 H new ATOM 0 HD21 ASN A 37 10.805 1.275 -10.462 1.00 4.34 H new ATOM 0 HD22 ASN A 37 10.608 1.470 -12.207 1.00 4.34 H new ATOM 431 N GLU A 38 8.870 3.392 -13.970 1.00 1.77 N ATOM 432 CA GLU A 38 7.675 2.640 -14.337 1.00 1.76 C ATOM 433 C GLU A 38 7.335 1.607 -13.269 1.00 1.90 C ATOM 434 O GLU A 38 8.072 0.642 -13.072 1.00 2.28 O ATOM 435 CB GLU A 38 7.879 1.949 -15.686 1.00 2.18 C ATOM 436 CG GLU A 38 6.628 1.267 -16.216 1.00 2.12 C ATOM 437 CD GLU A 38 6.232 1.757 -17.595 1.00 2.42 C ATOM 438 OE1 GLU A 38 7.124 2.211 -18.342 1.00 2.88 O ATOM 439 OE2 GLU A 38 5.030 1.689 -17.928 1.00 2.81 O ATOM 0 H GLU A 38 9.662 3.260 -14.599 1.00 1.77 H new ATOM 0 HA GLU A 38 6.843 3.340 -14.417 1.00 1.76 H new ATOM 0 HB2 GLU A 38 8.217 2.686 -16.415 1.00 2.18 H new ATOM 0 HB3 GLU A 38 8.673 1.209 -15.589 1.00 2.18 H new ATOM 0 HG2 GLU A 38 6.794 0.190 -16.252 1.00 2.12 H new ATOM 0 HG3 GLU A 38 5.804 1.440 -15.523 1.00 2.12 H new ATOM 446 N VAL A 39 6.214 1.813 -12.584 1.00 1.79 N ATOM 447 CA VAL A 39 5.779 0.895 -11.536 1.00 2.04 C ATOM 448 C VAL A 39 4.270 0.969 -11.328 1.00 1.58 C ATOM 449 O VAL A 39 3.616 1.915 -11.770 1.00 1.86 O ATOM 450 CB VAL A 39 6.482 1.189 -10.197 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.951 0.799 -10.262 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.328 2.655 -9.824 1.00 3.20 C ATOM 0 H VAL A 39 5.591 2.606 -12.735 1.00 1.79 H new ATOM 0 HA VAL A 39 6.050 -0.107 -11.868 1.00 2.04 H new ATOM 0 HB VAL A 39 6.007 0.588 -9.422 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.428 1.015 -9.306 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.035 -0.266 -10.477 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.444 1.368 -11.050 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.831 2.844 -8.876 1.00 3.20 H new ATOM 0 HG22 VAL A 39 6.773 3.277 -10.601 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.269 2.897 -9.728 1.00 3.20 H new ATOM 456 N GLU A 40 3.721 -0.035 -10.650 1.00 1.19 N ATOM 457 CA GLU A 40 2.289 -0.085 -10.381 1.00 0.87 C ATOM 458 C GLU A 40 2.018 -0.513 -8.941 1.00 0.72 C ATOM 459 O GLU A 40 2.036 -1.703 -8.622 1.00 0.71 O ATOM 460 CB GLU A 40 1.600 -1.046 -11.351 1.00 0.85 C ATOM 461 CG GLU A 40 1.278 -0.421 -12.699 1.00 0.98 C ATOM 462 CD GLU A 40 -0.181 -0.577 -13.082 1.00 1.62 C ATOM 463 OE1 GLU A 40 -1.043 -0.506 -12.181 1.00 2.10 O ATOM 464 OE2 GLU A 40 -0.462 -0.772 -14.284 1.00 2.29 O ATOM 0 H GLU A 40 4.247 -0.825 -10.277 1.00 1.19 H new ATOM 0 HA GLU A 40 1.883 0.917 -10.524 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.240 -1.914 -11.506 1.00 0.85 H new ATOM 0 HB3 GLU A 40 0.677 -1.408 -10.897 1.00 0.85 H new ATOM 0 HG2 GLU A 40 1.532 0.639 -12.674 1.00 0.98 H new ATOM 0 HG3 GLU A 40 1.902 -0.880 -13.466 1.00 0.98 H new ATOM 471 N MET A 41 1.774 0.468 -8.076 1.00 0.77 N ATOM 472 CA MET A 41 1.505 0.200 -6.666 1.00 0.73 C ATOM 473 C MET A 41 0.031 0.412 -6.331 1.00 0.68 C ATOM 474 O MET A 41 -0.389 1.519 -5.994 1.00 0.72 O ATOM 475 CB MET A 41 2.371 1.102 -5.784 1.00 0.88 C ATOM 476 CG MET A 41 2.412 0.673 -4.326 1.00 1.06 C ATOM 477 SD MET A 41 2.818 2.033 -3.214 1.00 1.42 S ATOM 478 CE MET A 41 4.543 1.694 -2.873 1.00 1.11 C ATOM 0 H MET A 41 1.757 1.456 -8.327 1.00 0.77 H new ATOM 0 HA MET A 41 1.752 -0.844 -6.472 1.00 0.73 H new ATOM 0 HB2 MET A 41 3.387 1.114 -6.179 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.994 2.123 -5.843 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.444 0.257 -4.046 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.148 -0.122 -4.206 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.936 2.453 -2.196 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.636 0.712 -2.410 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.108 1.711 -3.805 1.00 1.11 H new ATOM 488 N THR A 42 -0.749 -0.661 -6.414 1.00 0.81 N ATOM 489 CA THR A 42 -2.172 -0.594 -6.108 1.00 0.79 C ATOM 490 C THR A 42 -2.404 -0.798 -4.615 1.00 0.77 C ATOM 491 O THR A 42 -1.683 -1.556 -3.967 1.00 1.11 O ATOM 492 CB THR A 42 -2.942 -1.646 -6.909 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.728 -1.473 -8.299 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.435 -1.612 -6.666 1.00 1.61 C ATOM 0 H THR A 42 -0.419 -1.586 -6.690 1.00 0.81 H new ATOM 0 HA THR A 42 -2.538 0.394 -6.388 1.00 0.79 H new ATOM 0 HB THR A 42 -2.558 -2.607 -6.566 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.227 -2.156 -8.794 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.919 -2.383 -7.265 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.636 -1.793 -5.610 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.827 -0.635 -6.948 1.00 1.61 H new ATOM 499 N VAL A 43 -3.406 -0.115 -4.068 1.00 0.65 N ATOM 500 CA VAL A 43 -3.711 -0.232 -2.647 1.00 0.64 C ATOM 501 C VAL A 43 -5.187 0.022 -2.361 1.00 0.58 C ATOM 502 O VAL A 43 -5.781 0.980 -2.865 1.00 0.71 O ATOM 503 CB VAL A 43 -2.866 0.746 -1.811 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.041 0.469 -0.326 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.400 0.666 -2.208 1.00 1.51 C ATOM 0 H VAL A 43 -4.016 0.520 -4.583 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.467 -1.256 -2.364 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.215 1.759 -2.012 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -2.436 1.170 0.249 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.090 0.588 -0.055 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -2.723 -0.550 -0.106 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -0.821 1.365 -1.605 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.033 -0.347 -2.042 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.294 0.922 -3.262 1.00 1.51 H new ATOM 509 N ARG A 44 -5.769 -0.841 -1.535 1.00 0.55 N ATOM 510 CA ARG A 44 -7.170 -0.719 -1.160 1.00 0.54 C ATOM 511 C ARG A 44 -7.334 -0.873 0.349 1.00 0.57 C ATOM 512 O ARG A 44 -6.672 -1.707 0.976 1.00 0.69 O ATOM 513 CB ARG A 44 -8.019 -1.760 -1.897 1.00 0.61 C ATOM 514 CG ARG A 44 -7.735 -3.196 -1.487 1.00 1.19 C ATOM 515 CD ARG A 44 -8.969 -4.072 -1.631 1.00 1.98 C ATOM 516 NE ARG A 44 -9.690 -3.807 -2.875 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.957 -4.159 -3.085 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.644 -4.789 -2.141 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.538 -3.879 -4.244 1.00 3.77 N ATOM 0 H ARG A 44 -5.288 -1.635 -1.112 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.516 0.274 -1.448 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -9.073 -1.545 -1.720 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.849 -1.659 -2.969 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -6.929 -3.598 -2.101 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -7.390 -3.219 -0.453 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -8.674 -5.121 -1.600 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.634 -3.903 -0.784 1.00 1.98 H new ATOM 0 HE ARG A 44 -9.194 -3.325 -3.625 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.202 -5.007 -1.248 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.614 -5.056 -2.308 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -11.014 -3.395 -4.973 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.508 -4.148 -4.406 1.00 3.77 H new ATOM 533 N ILE A 45 -8.213 -0.066 0.933 1.00 0.55 N ATOM 534 CA ILE A 45 -8.448 -0.125 2.370 1.00 0.61 C ATOM 535 C ILE A 45 -9.902 -0.464 2.681 1.00 0.59 C ATOM 536 O ILE A 45 -10.822 0.138 2.128 1.00 0.60 O ATOM 537 CB ILE A 45 -8.069 1.198 3.064 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.974 2.337 2.590 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.608 1.534 2.800 1.00 0.94 C ATOM 540 CD1 ILE A 45 -8.637 3.674 3.215 1.00 0.63 C ATOM 0 H ILE A 45 -8.770 0.631 0.438 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.808 -0.917 2.759 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.210 1.075 4.138 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.900 2.422 1.506 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -10.010 2.088 2.820 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.355 2.471 3.296 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -5.975 0.735 3.187 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.446 1.637 1.727 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -9.318 4.436 2.834 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.739 3.605 4.298 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.612 3.945 2.963 1.00 0.63 H new ATOM 544 N VAL A 46 -10.098 -1.435 3.567 1.00 0.63 N ATOM 545 CA VAL A 46 -11.437 -1.861 3.950 1.00 0.63 C ATOM 546 C VAL A 46 -11.402 -2.712 5.216 1.00 0.64 C ATOM 547 O VAL A 46 -10.364 -3.272 5.570 1.00 0.68 O ATOM 548 CB VAL A 46 -12.109 -2.665 2.820 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.306 -3.919 2.501 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.541 -3.017 3.192 1.00 1.52 C ATOM 0 H VAL A 46 -9.345 -1.941 4.033 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.018 -0.958 4.141 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.134 -2.044 1.925 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.798 -4.472 1.701 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.302 -3.637 2.184 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.243 -4.547 3.390 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.998 -3.584 2.382 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.544 -3.617 4.102 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.109 -2.102 3.360 1.00 1.52 H new ATOM 554 N ASP A 47 -12.543 -2.808 5.894 1.00 0.66 N ATOM 555 CA ASP A 47 -12.646 -3.593 7.123 1.00 0.71 C ATOM 556 C ASP A 47 -12.034 -4.981 6.943 1.00 0.74 C ATOM 557 O ASP A 47 -11.743 -5.403 5.824 1.00 0.81 O ATOM 558 CB ASP A 47 -14.111 -3.720 7.548 1.00 0.75 C ATOM 559 CG ASP A 47 -14.259 -4.070 9.016 1.00 1.35 C ATOM 560 OD1 ASP A 47 -13.675 -3.356 9.857 1.00 2.11 O ATOM 561 OD2 ASP A 47 -14.960 -5.057 9.324 1.00 1.88 O ATOM 0 H ASP A 47 -13.411 -2.352 5.613 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.090 -3.072 7.902 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.627 -2.781 7.347 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.597 -4.486 6.944 1.00 0.75 H new ATOM 566 N GLU A 48 -11.840 -5.684 8.055 1.00 0.76 N ATOM 567 CA GLU A 48 -11.260 -7.021 8.025 1.00 0.82 C ATOM 568 C GLU A 48 -12.212 -8.020 7.371 1.00 0.79 C ATOM 569 O GLU A 48 -11.877 -8.642 6.363 1.00 0.83 O ATOM 570 CB GLU A 48 -10.916 -7.480 9.443 1.00 0.92 C ATOM 571 CG GLU A 48 -9.448 -7.312 9.797 1.00 1.39 C ATOM 572 CD GLU A 48 -9.110 -7.866 11.168 1.00 1.59 C ATOM 573 OE1 GLU A 48 -9.895 -8.689 11.685 1.00 1.81 O ATOM 574 OE2 GLU A 48 -8.062 -7.476 11.723 1.00 2.30 O ATOM 0 H GLU A 48 -12.077 -5.349 8.989 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.348 -6.979 7.430 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.520 -6.917 10.155 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.190 -8.529 9.553 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -8.838 -7.814 9.046 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.189 -6.254 9.763 1.00 1.39 H new ATOM 581 N ALA A 49 -13.396 -8.173 7.956 1.00 0.86 N ATOM 582 CA ALA A 49 -14.396 -9.101 7.437 1.00 0.89 C ATOM 583 C ALA A 49 -14.620 -8.910 5.941 1.00 0.83 C ATOM 584 O ALA A 49 -14.618 -9.873 5.175 1.00 0.80 O ATOM 585 CB ALA A 49 -15.707 -8.937 8.192 1.00 0.99 C ATOM 0 H ALA A 49 -13.687 -7.665 8.791 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.019 -10.113 7.588 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.445 -9.635 7.796 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.546 -9.142 9.250 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.071 -7.917 8.072 1.00 0.99 H new ATOM 591 N GLU A 50 -14.815 -7.662 5.535 1.00 0.87 N ATOM 592 CA GLU A 50 -15.046 -7.340 4.129 1.00 0.88 C ATOM 593 C GLU A 50 -13.917 -7.869 3.249 1.00 0.84 C ATOM 594 O GLU A 50 -14.138 -8.713 2.382 1.00 0.85 O ATOM 595 CB GLU A 50 -15.185 -5.828 3.946 1.00 0.98 C ATOM 596 CG GLU A 50 -16.369 -5.428 3.082 1.00 1.52 C ATOM 597 CD GLU A 50 -17.469 -4.752 3.875 1.00 1.54 C ATOM 598 OE1 GLU A 50 -18.295 -5.470 4.477 1.00 1.85 O ATOM 599 OE2 GLU A 50 -17.505 -3.503 3.894 1.00 2.17 O ATOM 0 H GLU A 50 -14.818 -6.854 6.158 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.973 -7.824 3.823 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.285 -5.359 4.925 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.271 -5.439 3.498 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -16.028 -4.756 2.295 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.772 -6.314 2.592 1.00 1.52 H new ATOM 606 N SER A 51 -12.706 -7.366 3.478 1.00 0.87 N ATOM 607 CA SER A 51 -11.543 -7.792 2.704 1.00 0.92 C ATOM 608 C SER A 51 -11.406 -9.310 2.722 1.00 0.84 C ATOM 609 O SER A 51 -11.403 -9.958 1.675 1.00 0.83 O ATOM 610 CB SER A 51 -10.271 -7.147 3.259 1.00 1.04 C ATOM 611 OG SER A 51 -10.282 -7.133 4.676 1.00 1.90 O ATOM 0 H SER A 51 -12.505 -6.665 4.191 1.00 0.87 H new ATOM 0 HA SER A 51 -11.685 -7.470 1.673 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.398 -7.694 2.905 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.183 -6.128 2.883 1.00 1.04 H new ATOM 0 HG SER A 51 -10.572 -6.252 4.992 1.00 1.90 H new ATOM 617 N HIS A 52 -11.300 -9.873 3.921 1.00 0.86 N ATOM 618 CA HIS A 52 -11.170 -11.316 4.083 1.00 0.86 C ATOM 619 C HIS A 52 -12.233 -12.049 3.279 1.00 0.83 C ATOM 620 O HIS A 52 -11.924 -12.947 2.495 1.00 0.90 O ATOM 621 CB HIS A 52 -11.272 -11.688 5.560 1.00 0.94 C ATOM 622 CG HIS A 52 -10.337 -10.902 6.418 1.00 0.99 C ATOM 623 ND1 HIS A 52 -9.316 -10.136 5.901 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.266 -10.764 7.762 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.655 -9.564 6.888 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.211 -9.926 8.032 1.00 1.39 N ATOM 0 H HIS A 52 -11.302 -9.350 4.797 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.192 -11.618 3.708 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.294 -11.526 5.901 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.061 -12.751 5.678 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -9.104 -10.028 4.909 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -10.918 -11.227 8.488 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.803 -8.910 6.780 1.00 1.28 H new ATOM 635 N GLU A 53 -13.485 -11.649 3.461 1.00 0.86 N ATOM 636 CA GLU A 53 -14.585 -12.260 2.731 1.00 0.95 C ATOM 637 C GLU A 53 -14.387 -12.054 1.234 1.00 0.94 C ATOM 638 O GLU A 53 -14.596 -12.962 0.438 1.00 0.95 O ATOM 639 CB GLU A 53 -15.922 -11.662 3.173 1.00 1.10 C ATOM 640 CG GLU A 53 -16.533 -12.365 4.374 1.00 1.68 C ATOM 641 CD GLU A 53 -17.964 -11.936 4.635 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.592 -11.372 3.715 1.00 2.71 O ATOM 643 OE2 GLU A 53 -18.457 -12.167 5.759 1.00 3.10 O ATOM 0 H GLU A 53 -13.762 -10.908 4.105 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.599 -13.328 2.947 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.778 -10.609 3.413 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.624 -11.706 2.340 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.504 -13.443 4.213 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -15.929 -12.159 5.257 1.00 1.68 H new ATOM 650 N LEU A 54 -13.966 -10.849 0.866 1.00 0.95 N ATOM 651 CA LEU A 54 -13.722 -10.512 -0.532 1.00 1.00 C ATOM 652 C LEU A 54 -12.711 -11.471 -1.153 1.00 0.89 C ATOM 653 O LEU A 54 -13.000 -12.148 -2.142 1.00 0.93 O ATOM 654 CB LEU A 54 -13.213 -9.066 -0.636 1.00 1.06 C ATOM 655 CG LEU A 54 -12.554 -8.678 -1.965 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.118 -9.171 -2.018 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.354 -9.219 -3.144 1.00 1.24 C ATOM 0 H LEU A 54 -13.786 -10.086 1.519 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.659 -10.604 -1.080 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.052 -8.393 -0.460 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.494 -8.896 0.166 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.543 -7.590 -2.033 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.670 -8.885 -2.969 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.550 -8.726 -1.201 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.102 -10.257 -1.922 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.868 -8.931 -4.076 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.404 -10.306 -3.081 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.363 -8.807 -3.119 1.00 1.24 H new ATOM 663 N ASN A 55 -11.522 -11.516 -0.566 1.00 0.78 N ATOM 664 CA ASN A 55 -10.455 -12.379 -1.055 1.00 0.71 C ATOM 665 C ASN A 55 -10.887 -13.841 -1.039 1.00 0.69 C ATOM 666 O ASN A 55 -10.791 -14.545 -2.047 1.00 0.74 O ATOM 667 CB ASN A 55 -9.197 -12.204 -0.196 1.00 0.68 C ATOM 668 CG ASN A 55 -8.932 -10.757 0.182 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.722 -9.907 -0.681 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.930 -10.473 1.481 1.00 1.42 N ATOM 0 H ASN A 55 -11.272 -10.962 0.253 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.233 -12.093 -2.083 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.299 -12.798 0.712 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.336 -12.595 -0.738 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.749 -9.519 1.794 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -9.109 -11.209 2.164 1.00 1.42 H new ATOM 675 N LEU A 56 -11.345 -14.292 0.121 1.00 0.71 N ATOM 676 CA LEU A 56 -11.776 -15.673 0.297 1.00 0.79 C ATOM 677 C LEU A 56 -12.945 -16.037 -0.617 1.00 0.87 C ATOM 678 O LEU A 56 -12.888 -17.026 -1.347 1.00 0.97 O ATOM 679 CB LEU A 56 -12.159 -15.922 1.757 1.00 0.84 C ATOM 680 CG LEU A 56 -10.988 -16.257 2.682 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.125 -15.027 2.919 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.499 -16.813 4.004 1.00 0.92 C ATOM 0 H LEU A 56 -11.428 -13.717 0.960 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.936 -16.311 0.022 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.664 -15.036 2.141 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.878 -16.740 1.794 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.374 -17.018 2.200 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.297 -15.285 3.579 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.732 -14.669 1.967 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.727 -14.244 3.380 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.654 -17.047 4.651 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.134 -16.072 4.489 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.076 -17.719 3.819 1.00 0.92 H new ATOM 688 N THR A 57 -14.011 -15.248 -0.557 1.00 0.93 N ATOM 689 CA THR A 57 -15.206 -15.502 -1.362 1.00 1.09 C ATOM 690 C THR A 57 -14.877 -15.713 -2.839 1.00 1.14 C ATOM 691 O THR A 57 -15.644 -16.349 -3.562 1.00 1.27 O ATOM 692 CB THR A 57 -16.205 -14.347 -1.219 1.00 1.23 C ATOM 693 OG1 THR A 57 -17.494 -14.746 -1.649 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.824 -13.109 -2.005 1.00 1.45 C ATOM 0 H THR A 57 -14.075 -14.424 0.041 1.00 0.93 H new ATOM 0 HA THR A 57 -15.651 -16.423 -0.985 1.00 1.09 H new ATOM 0 HB THR A 57 -16.196 -14.095 -0.159 1.00 1.23 H new ATOM 0 HG1 THR A 57 -18.118 -13.997 -1.549 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.578 -12.336 -1.854 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.856 -12.744 -1.662 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.764 -13.355 -3.065 1.00 1.45 H new ATOM 699 N TYR A 58 -13.758 -15.160 -3.297 1.00 1.08 N ATOM 700 CA TYR A 58 -13.389 -15.286 -4.703 1.00 1.17 C ATOM 701 C TYR A 58 -12.223 -16.254 -4.929 1.00 1.08 C ATOM 702 O TYR A 58 -12.057 -16.766 -6.037 1.00 1.19 O ATOM 703 CB TYR A 58 -13.072 -13.901 -5.289 1.00 1.25 C ATOM 704 CG TYR A 58 -11.599 -13.619 -5.493 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.966 -13.951 -6.683 1.00 1.25 C ATOM 706 CD2 TYR A 58 -10.847 -13.015 -4.495 1.00 1.67 C ATOM 707 CE1 TYR A 58 -9.622 -13.691 -6.873 1.00 1.55 C ATOM 708 CE2 TYR A 58 -9.503 -12.750 -4.678 1.00 2.23 C ATOM 709 CZ TYR A 58 -8.895 -13.091 -5.868 1.00 2.11 C ATOM 710 OH TYR A 58 -7.557 -12.828 -6.053 1.00 2.74 O ATOM 0 H TYR A 58 -13.101 -14.629 -2.726 1.00 1.08 H new ATOM 0 HA TYR A 58 -14.246 -15.713 -5.225 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.582 -13.802 -6.247 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.485 -13.139 -4.628 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.533 -14.420 -7.473 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -11.319 -12.748 -3.561 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -9.144 -13.957 -7.804 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -8.931 -12.278 -3.893 1.00 2.23 H new ATOM 0 HH TYR A 58 -7.175 -12.476 -5.222 1.00 2.74 H new ATOM 720 N ARG A 59 -11.406 -16.504 -3.905 1.00 0.99 N ATOM 721 CA ARG A 59 -10.269 -17.412 -4.084 1.00 0.99 C ATOM 722 C ARG A 59 -9.936 -18.226 -2.831 1.00 0.90 C ATOM 723 O ARG A 59 -9.467 -19.360 -2.935 1.00 0.97 O ATOM 724 CB ARG A 59 -9.037 -16.622 -4.529 1.00 1.05 C ATOM 725 CG ARG A 59 -8.416 -15.772 -3.430 1.00 1.58 C ATOM 726 CD ARG A 59 -7.008 -16.236 -3.095 1.00 1.65 C ATOM 727 NE ARG A 59 -6.105 -16.102 -4.237 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.781 -16.014 -4.131 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.197 -16.060 -2.940 1.00 3.08 N ATOM 730 NH2 ARG A 59 -4.038 -15.883 -5.222 1.00 3.32 N ATOM 0 H ARG A 59 -11.503 -16.106 -2.971 1.00 0.99 H new ATOM 0 HA ARG A 59 -10.562 -18.127 -4.853 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.287 -17.319 -4.903 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -9.314 -15.975 -5.361 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -8.391 -14.729 -3.746 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -9.038 -15.820 -2.536 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.623 -15.654 -2.257 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -7.035 -17.277 -2.774 1.00 1.65 H new ATOM 0 HE ARG A 59 -6.514 -16.074 -5.171 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -4.763 -16.163 -2.098 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.182 -15.992 -2.867 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -4.481 -15.850 -6.140 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -3.023 -15.815 -5.143 1.00 3.32 H new ATOM 744 N GLY A 60 -10.154 -17.651 -1.657 1.00 0.81 N ATOM 745 CA GLY A 60 -9.839 -18.355 -0.423 1.00 0.80 C ATOM 746 C GLY A 60 -8.493 -17.931 0.135 1.00 0.78 C ATOM 747 O GLY A 60 -7.626 -18.764 0.397 1.00 0.88 O ATOM 0 H GLY A 60 -10.541 -16.715 -1.533 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.617 -18.161 0.316 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.835 -19.429 -0.607 1.00 0.80 H new ATOM 751 N LYS A 61 -8.318 -16.623 0.294 1.00 0.76 N ATOM 752 CA LYS A 61 -7.071 -16.060 0.797 1.00 0.90 C ATOM 753 C LYS A 61 -6.818 -16.430 2.259 1.00 0.95 C ATOM 754 O LYS A 61 -7.446 -17.339 2.802 1.00 1.42 O ATOM 755 CB LYS A 61 -7.091 -14.539 0.627 1.00 1.17 C ATOM 756 CG LYS A 61 -6.170 -14.040 -0.476 1.00 1.31 C ATOM 757 CD LYS A 61 -5.275 -12.909 0.005 1.00 1.00 C ATOM 758 CE LYS A 61 -3.827 -13.356 0.128 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.877 -12.231 -0.090 1.00 2.13 N ATOM 0 H LYS A 61 -9.032 -15.927 0.079 1.00 0.76 H new ATOM 0 HA LYS A 61 -6.253 -16.485 0.215 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -8.110 -14.219 0.411 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.803 -14.072 1.569 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -5.553 -14.864 -0.835 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -6.767 -13.697 -1.321 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.340 -12.072 -0.690 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.629 -12.550 0.971 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.662 -13.784 1.117 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.628 -14.145 -0.598 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.262 -12.448 -0.900 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.410 -11.359 -0.284 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.295 -12.098 0.761 1.00 2.13 H new ATOM 773 N ASP A 62 -5.869 -15.725 2.871 1.00 1.17 N ATOM 774 CA ASP A 62 -5.478 -15.958 4.259 1.00 1.25 C ATOM 775 C ASP A 62 -6.668 -15.908 5.227 1.00 1.66 C ATOM 776 O ASP A 62 -7.812 -16.146 4.845 1.00 2.50 O ATOM 777 CB ASP A 62 -4.419 -14.929 4.668 1.00 1.84 C ATOM 778 CG ASP A 62 -3.288 -15.546 5.465 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.655 -16.497 4.959 1.00 2.95 O ATOM 780 OD2 ASP A 62 -3.033 -15.078 6.594 1.00 3.06 O ATOM 0 H ASP A 62 -5.348 -14.974 2.417 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.067 -16.966 4.320 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.013 -14.455 3.774 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.890 -14.144 5.259 1.00 1.84 H new ATOM 785 N ARG A 63 -6.371 -15.605 6.492 1.00 1.71 N ATOM 786 CA ARG A 63 -7.380 -15.528 7.543 1.00 2.49 C ATOM 787 C ARG A 63 -7.357 -14.133 8.169 1.00 2.22 C ATOM 788 O ARG A 63 -6.577 -13.293 7.730 1.00 1.77 O ATOM 789 CB ARG A 63 -7.086 -16.604 8.596 1.00 3.33 C ATOM 790 CG ARG A 63 -8.048 -17.782 8.550 1.00 4.23 C ATOM 791 CD ARG A 63 -7.318 -19.107 8.702 1.00 4.88 C ATOM 792 NE ARG A 63 -8.224 -20.189 9.083 1.00 5.84 N ATOM 793 CZ ARG A 63 -7.836 -21.445 9.286 1.00 6.66 C ATOM 794 NH1 ARG A 63 -6.561 -21.784 9.146 1.00 6.76 N ATOM 795 NH2 ARG A 63 -8.726 -22.367 9.631 1.00 7.66 N ATOM 0 H ARG A 63 -5.424 -15.407 6.814 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.373 -15.703 7.128 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.069 -16.971 8.454 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.127 -16.151 9.587 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.787 -17.680 9.344 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -8.592 -17.772 7.605 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -6.826 -19.360 7.763 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -6.536 -19.006 9.455 1.00 4.88 H new ATOM 0 HE ARG A 63 -9.213 -19.968 9.200 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -5.872 -21.080 8.881 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -6.270 -22.749 9.303 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -9.708 -22.113 9.740 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -8.428 -23.330 9.787 1.00 7.66 H new ATOM 809 N PRO A 64 -8.194 -13.859 9.203 1.00 3.04 N ATOM 810 CA PRO A 64 -8.252 -12.566 9.887 1.00 3.30 C ATOM 811 C PRO A 64 -6.944 -11.786 9.806 1.00 2.79 C ATOM 812 O PRO A 64 -6.154 -11.757 10.749 1.00 3.00 O ATOM 813 CB PRO A 64 -8.569 -12.968 11.335 1.00 4.45 C ATOM 814 CG PRO A 64 -9.004 -14.409 11.279 1.00 4.81 C ATOM 815 CD PRO A 64 -9.155 -14.766 9.823 1.00 4.12 C ATOM 0 HA PRO A 64 -8.984 -11.894 9.439 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -7.694 -12.849 11.974 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.355 -12.339 11.752 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -8.268 -15.053 11.760 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -9.945 -14.549 11.810 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.916 -15.812 9.630 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.170 -14.599 9.462 1.00 4.12 H new ATOM 823 N THR A 65 -6.726 -11.177 8.649 1.00 2.27 N ATOM 824 CA THR A 65 -5.520 -10.409 8.384 1.00 2.01 C ATOM 825 C THR A 65 -5.681 -8.948 8.796 1.00 1.59 C ATOM 826 O THR A 65 -6.740 -8.350 8.612 1.00 1.81 O ATOM 827 CB THR A 65 -5.182 -10.496 6.893 1.00 2.13 C ATOM 828 OG1 THR A 65 -6.104 -11.332 6.215 1.00 2.47 O ATOM 829 CG2 THR A 65 -3.799 -11.041 6.626 1.00 2.82 C ATOM 0 H THR A 65 -7.381 -11.202 7.868 1.00 2.27 H new ATOM 0 HA THR A 65 -4.709 -10.832 8.977 1.00 2.01 H new ATOM 0 HB THR A 65 -5.233 -9.470 6.528 1.00 2.13 H new ATOM 0 HG1 THR A 65 -6.039 -12.244 6.567 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.623 -11.077 5.551 1.00 2.82 H new ATOM 0 HG22 THR A 65 -3.057 -10.394 7.094 1.00 2.82 H new ATOM 0 HG23 THR A 65 -3.718 -12.046 7.040 1.00 2.82 H new ATOM 834 N ASN A 66 -4.612 -8.377 9.340 1.00 1.36 N ATOM 835 CA ASN A 66 -4.618 -6.981 9.759 1.00 1.09 C ATOM 836 C ASN A 66 -4.107 -6.094 8.630 1.00 0.83 C ATOM 837 O ASN A 66 -4.469 -4.921 8.530 1.00 1.09 O ATOM 838 CB ASN A 66 -3.752 -6.793 11.007 1.00 1.37 C ATOM 839 CG ASN A 66 -2.299 -7.157 10.764 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.995 -8.213 10.209 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.392 -6.281 11.181 1.00 1.35 N ATOM 0 H ASN A 66 -3.729 -8.861 9.501 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.642 -6.695 10.000 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.814 -5.756 11.336 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -4.147 -7.408 11.816 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -0.399 -6.471 11.046 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.688 -5.418 11.636 1.00 1.35 H new ATOM 846 N VAL A 67 -3.265 -6.671 7.776 1.00 0.71 N ATOM 847 CA VAL A 67 -2.700 -5.951 6.644 1.00 0.79 C ATOM 848 C VAL A 67 -2.453 -6.897 5.474 1.00 0.79 C ATOM 849 O VAL A 67 -1.309 -7.191 5.126 1.00 0.81 O ATOM 850 CB VAL A 67 -1.381 -5.252 7.025 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.870 -4.403 5.871 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.570 -4.410 8.278 1.00 1.51 C ATOM 0 H VAL A 67 -2.959 -7.641 7.850 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.424 -5.191 6.348 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.633 -6.016 7.237 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.062 -3.918 6.161 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.694 -5.038 5.002 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.611 -3.644 5.622 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.629 -3.923 8.534 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -2.333 -3.653 8.096 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.883 -5.050 9.103 1.00 1.51 H new ATOM 856 N LEU A 68 -3.539 -7.373 4.876 1.00 0.86 N ATOM 857 CA LEU A 68 -3.457 -8.290 3.747 1.00 0.89 C ATOM 858 C LEU A 68 -3.185 -7.527 2.455 1.00 0.81 C ATOM 859 O LEU A 68 -3.610 -6.386 2.299 1.00 0.75 O ATOM 860 CB LEU A 68 -4.763 -9.082 3.630 1.00 0.99 C ATOM 861 CG LEU A 68 -4.865 -10.016 2.421 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.437 -11.426 2.800 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.285 -10.024 1.868 1.00 1.10 C ATOM 0 H LEU A 68 -4.491 -7.137 5.157 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.632 -8.982 3.915 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.890 -9.675 4.536 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.593 -8.376 3.592 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.195 -9.646 1.645 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.516 -12.077 1.929 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.405 -11.411 3.150 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.084 -11.802 3.593 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.337 -10.693 1.009 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.974 -10.369 2.639 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.561 -9.016 1.559 1.00 1.10 H new ATOM 869 N SER A 69 -2.470 -8.160 1.532 1.00 0.96 N ATOM 870 CA SER A 69 -2.146 -7.530 0.256 1.00 0.97 C ATOM 871 C SER A 69 -2.303 -8.520 -0.891 1.00 0.86 C ATOM 872 O SER A 69 -2.363 -9.730 -0.674 1.00 0.89 O ATOM 873 CB SER A 69 -0.718 -6.979 0.275 1.00 1.18 C ATOM 874 OG SER A 69 -0.264 -6.766 1.601 1.00 1.85 O ATOM 0 H SER A 69 -2.104 -9.106 1.642 1.00 0.96 H new ATOM 0 HA SER A 69 -2.841 -6.705 0.103 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.051 -7.676 -0.232 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.681 -6.041 -0.279 1.00 1.18 H new ATOM 0 HG SER A 69 0.621 -6.346 1.580 1.00 1.85 H new ATOM 880 N PHE A 70 -2.370 -7.999 -2.110 1.00 0.81 N ATOM 881 CA PHE A 70 -2.519 -8.842 -3.288 1.00 0.82 C ATOM 882 C PHE A 70 -1.312 -8.705 -4.212 1.00 0.91 C ATOM 883 O PHE A 70 -1.323 -7.912 -5.156 1.00 1.03 O ATOM 884 CB PHE A 70 -3.804 -8.486 -4.038 1.00 0.89 C ATOM 885 CG PHE A 70 -4.995 -9.290 -3.597 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.894 -10.661 -3.419 1.00 1.16 C ATOM 887 CD2 PHE A 70 -6.212 -8.674 -3.354 1.00 1.81 C ATOM 888 CE1 PHE A 70 -5.986 -11.402 -3.008 1.00 1.33 C ATOM 889 CE2 PHE A 70 -7.307 -9.410 -2.944 1.00 2.03 C ATOM 890 CZ PHE A 70 -7.194 -10.775 -2.770 1.00 1.48 C ATOM 0 H PHE A 70 -2.324 -6.999 -2.308 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.580 -9.879 -2.958 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.017 -7.427 -3.896 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.647 -8.639 -5.106 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -3.952 -11.156 -3.603 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -6.306 -7.606 -3.487 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -5.895 -12.470 -2.873 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -8.251 -8.918 -2.760 1.00 2.03 H new ATOM 0 HZ PHE A 70 -8.049 -11.352 -2.448 1.00 1.48 H new ATOM 900 N PRO A 71 -0.247 -9.483 -3.945 1.00 0.95 N ATOM 901 CA PRO A 71 0.975 -9.458 -4.748 1.00 1.11 C ATOM 902 C PRO A 71 0.819 -10.219 -6.060 1.00 1.11 C ATOM 903 O PRO A 71 0.109 -11.223 -6.125 1.00 1.14 O ATOM 904 CB PRO A 71 1.993 -10.152 -3.847 1.00 1.18 C ATOM 905 CG PRO A 71 1.186 -11.105 -3.036 1.00 1.13 C ATOM 906 CD PRO A 71 -0.157 -10.453 -2.833 1.00 0.95 C ATOM 0 HA PRO A 71 1.257 -8.446 -5.039 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.751 -10.672 -4.432 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.516 -9.435 -3.213 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.081 -12.061 -3.549 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.669 -11.308 -2.080 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.966 -11.182 -2.871 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.220 -9.958 -1.864 1.00 0.95 H new ATOM 914 N PHE A 72 1.490 -9.743 -7.104 1.00 1.22 N ATOM 915 CA PHE A 72 1.427 -10.392 -8.409 1.00 1.28 C ATOM 916 C PHE A 72 2.063 -11.779 -8.346 1.00 1.36 C ATOM 917 O PHE A 72 2.555 -12.194 -7.297 1.00 1.47 O ATOM 918 CB PHE A 72 2.117 -9.523 -9.471 1.00 1.36 C ATOM 919 CG PHE A 72 3.573 -9.845 -9.685 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.431 -9.983 -8.606 1.00 1.65 C ATOM 921 CD2 PHE A 72 4.078 -10.014 -10.964 1.00 1.38 C ATOM 922 CE1 PHE A 72 5.767 -10.282 -8.799 1.00 1.83 C ATOM 923 CE2 PHE A 72 5.413 -10.314 -11.165 1.00 1.46 C ATOM 924 CZ PHE A 72 6.258 -10.447 -10.081 1.00 1.39 C ATOM 0 H PHE A 72 2.082 -8.913 -7.072 1.00 1.22 H new ATOM 0 HA PHE A 72 0.381 -10.510 -8.690 1.00 1.28 H new ATOM 0 HB2 PHE A 72 1.589 -9.638 -10.417 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.027 -8.476 -9.181 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.052 -9.856 -7.603 1.00 1.65 H new ATOM 0 HD2 PHE A 72 3.421 -9.910 -11.815 1.00 1.38 H new ATOM 0 HE1 PHE A 72 6.426 -10.387 -7.950 1.00 1.83 H new ATOM 0 HE2 PHE A 72 5.794 -10.444 -12.167 1.00 1.46 H new ATOM 0 HZ PHE A 72 7.301 -10.680 -10.234 1.00 1.39 H new ATOM 934 N GLU A 73 2.052 -12.490 -9.471 1.00 1.56 N ATOM 935 CA GLU A 73 2.634 -13.831 -9.537 1.00 1.67 C ATOM 936 C GLU A 73 3.997 -13.867 -8.849 1.00 1.31 C ATOM 937 O GLU A 73 4.594 -12.824 -8.586 1.00 1.43 O ATOM 938 CB GLU A 73 2.773 -14.278 -10.993 1.00 2.21 C ATOM 939 CG GLU A 73 1.450 -14.343 -11.740 1.00 2.25 C ATOM 940 CD GLU A 73 1.586 -13.958 -13.199 1.00 2.36 C ATOM 941 OE1 GLU A 73 2.219 -12.920 -13.482 1.00 2.62 O ATOM 942 OE2 GLU A 73 1.059 -14.694 -14.059 1.00 2.89 O ATOM 0 H GLU A 73 1.648 -12.162 -10.348 1.00 1.56 H new ATOM 0 HA GLU A 73 1.966 -14.516 -9.016 1.00 1.67 H new ATOM 0 HB2 GLU A 73 3.441 -13.591 -11.513 1.00 2.21 H new ATOM 0 HB3 GLU A 73 3.244 -15.261 -11.019 1.00 2.21 H new ATOM 0 HG2 GLU A 73 1.047 -15.353 -11.671 1.00 2.25 H new ATOM 0 HG3 GLU A 73 0.732 -13.679 -11.258 1.00 2.25 H new ATOM 949 N CYS A 74 4.480 -15.069 -8.554 1.00 1.48 N ATOM 950 CA CYS A 74 5.771 -15.225 -7.889 1.00 1.68 C ATOM 951 C CYS A 74 6.685 -16.175 -8.660 1.00 1.76 C ATOM 952 O CYS A 74 6.913 -17.309 -8.239 1.00 2.31 O ATOM 953 CB CYS A 74 5.572 -15.739 -6.462 1.00 2.63 C ATOM 954 SG CYS A 74 4.408 -17.117 -6.328 1.00 3.95 S ATOM 0 H CYS A 74 4.001 -15.945 -8.763 1.00 1.48 H new ATOM 0 HA CYS A 74 6.249 -14.246 -7.858 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.537 -16.052 -6.062 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.220 -14.918 -5.838 1.00 2.63 H new ATOM 0 HG CYS A 74 4.309 -17.482 -5.084 1.00 3.95 H new ATOM 960 N PRO A 75 7.230 -15.720 -9.803 1.00 1.68 N ATOM 961 CA PRO A 75 8.131 -16.533 -10.627 1.00 2.01 C ATOM 962 C PRO A 75 9.435 -16.848 -9.899 1.00 2.43 C ATOM 963 O PRO A 75 9.486 -16.838 -8.669 1.00 3.08 O ATOM 964 CB PRO A 75 8.401 -15.651 -11.856 1.00 2.13 C ATOM 965 CG PRO A 75 7.346 -14.596 -11.825 1.00 2.21 C ATOM 966 CD PRO A 75 7.020 -14.384 -10.377 1.00 1.89 C ATOM 0 HA PRO A 75 7.695 -17.500 -10.878 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.398 -15.212 -11.813 1.00 2.13 H new ATOM 0 HB3 PRO A 75 8.348 -16.233 -12.776 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.702 -13.674 -12.284 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.463 -14.910 -12.382 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.671 -13.639 -9.920 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.995 -14.040 -10.238 1.00 1.89 H new ATOM 974 N ASP A 76 10.489 -17.124 -10.662 1.00 2.55 N ATOM 975 CA ASP A 76 11.789 -17.436 -10.078 1.00 3.28 C ATOM 976 C ASP A 76 12.534 -16.159 -9.698 1.00 3.54 C ATOM 977 O ASP A 76 12.492 -15.725 -8.547 1.00 4.33 O ATOM 978 CB ASP A 76 12.627 -18.265 -11.054 1.00 3.70 C ATOM 979 CG ASP A 76 12.161 -19.706 -11.137 1.00 4.37 C ATOM 980 OD1 ASP A 76 10.979 -19.929 -11.473 1.00 4.70 O ATOM 981 OD2 ASP A 76 12.977 -20.611 -10.867 1.00 4.93 O ATOM 0 H ASP A 76 10.468 -17.138 -11.682 1.00 2.55 H new ATOM 0 HA ASP A 76 11.623 -18.020 -9.173 1.00 3.28 H new ATOM 0 HB2 ASP A 76 12.579 -17.813 -12.045 1.00 3.70 H new ATOM 0 HB3 ASP A 76 13.671 -18.241 -10.743 1.00 3.70 H new ATOM 986 N GLU A 77 13.211 -15.560 -10.672 1.00 3.34 N ATOM 987 CA GLU A 77 13.960 -14.331 -10.439 1.00 4.10 C ATOM 988 C GLU A 77 13.623 -13.282 -11.494 1.00 4.12 C ATOM 989 O GLU A 77 14.491 -12.532 -11.938 1.00 4.72 O ATOM 990 CB GLU A 77 15.464 -14.617 -10.443 1.00 4.59 C ATOM 991 CG GLU A 77 16.198 -14.027 -9.249 1.00 5.37 C ATOM 992 CD GLU A 77 16.230 -14.969 -8.061 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.837 -16.054 -8.181 1.00 6.39 O ATOM 994 OE2 GLU A 77 15.647 -14.623 -7.013 1.00 6.84 O ATOM 0 H GLU A 77 13.256 -15.906 -11.630 1.00 3.34 H new ATOM 0 HA GLU A 77 13.677 -13.940 -9.462 1.00 4.10 H new ATOM 0 HB2 GLU A 77 15.620 -15.696 -10.459 1.00 4.59 H new ATOM 0 HB3 GLU A 77 15.899 -14.219 -11.360 1.00 4.59 H new ATOM 0 HG2 GLU A 77 17.219 -13.781 -9.540 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.716 -13.094 -8.956 1.00 5.37 H new ATOM 1001 N VAL A 78 12.355 -13.237 -11.890 1.00 3.88 N ATOM 1002 CA VAL A 78 11.898 -12.282 -12.894 1.00 4.32 C ATOM 1003 C VAL A 78 12.327 -10.862 -12.541 1.00 4.59 C ATOM 1004 O VAL A 78 12.041 -10.369 -11.450 1.00 4.66 O ATOM 1005 CB VAL A 78 10.366 -12.316 -13.049 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.936 -13.543 -13.837 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.691 -12.284 -11.685 1.00 4.61 C ATOM 0 H VAL A 78 11.625 -13.852 -11.531 1.00 3.88 H new ATOM 0 HA VAL A 78 12.359 -12.575 -13.837 1.00 4.32 H new ATOM 0 HB VAL A 78 10.055 -11.431 -13.603 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.851 -13.550 -13.936 1.00 3.62 H new ATOM 0 HG12 VAL A 78 10.391 -13.517 -14.827 1.00 3.62 H new ATOM 0 HG13 VAL A 78 10.258 -14.443 -13.313 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.609 -12.309 -11.814 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.007 -13.149 -11.102 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.973 -11.371 -11.161 1.00 4.61 H new ATOM 1011 N GLU A 79 13.018 -10.210 -13.471 1.00 5.02 N ATOM 1012 CA GLU A 79 13.488 -8.848 -13.255 1.00 5.37 C ATOM 1013 C GLU A 79 12.577 -7.838 -13.945 1.00 4.83 C ATOM 1014 O GLU A 79 12.658 -7.636 -15.156 1.00 5.25 O ATOM 1015 CB GLU A 79 14.921 -8.694 -13.765 1.00 6.47 C ATOM 1016 CG GLU A 79 15.901 -9.664 -13.126 1.00 7.05 C ATOM 1017 CD GLU A 79 17.207 -9.765 -13.891 1.00 7.91 C ATOM 1018 OE1 GLU A 79 17.238 -10.472 -14.919 1.00 8.13 O ATOM 1019 OE2 GLU A 79 18.195 -9.133 -13.463 1.00 8.58 O ATOM 0 H GLU A 79 13.264 -10.603 -14.380 1.00 5.02 H new ATOM 0 HA GLU A 79 13.468 -8.651 -12.183 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.931 -8.839 -14.845 1.00 6.47 H new ATOM 0 HB3 GLU A 79 15.257 -7.674 -13.577 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.107 -9.346 -12.104 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.442 -10.651 -13.066 1.00 7.05 H new ATOM 1026 N LEU A 80 11.708 -7.204 -13.163 1.00 4.12 N ATOM 1027 CA LEU A 80 10.780 -6.212 -13.694 1.00 3.69 C ATOM 1028 C LEU A 80 10.146 -5.404 -12.563 1.00 3.19 C ATOM 1029 O LEU A 80 9.863 -5.939 -11.492 1.00 2.62 O ATOM 1030 CB LEU A 80 9.689 -6.894 -14.522 1.00 3.48 C ATOM 1031 CG LEU A 80 8.725 -7.776 -13.725 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.281 -7.415 -14.039 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.982 -9.248 -14.017 1.00 3.62 C ATOM 0 H LEU A 80 11.628 -7.360 -12.158 1.00 4.12 H new ATOM 0 HA LEU A 80 11.340 -5.532 -14.336 1.00 3.69 H new ATOM 0 HB2 LEU A 80 9.112 -6.126 -15.038 1.00 3.48 H new ATOM 0 HB3 LEU A 80 10.165 -7.504 -15.290 1.00 3.48 H new ATOM 0 HG LEU A 80 8.899 -7.599 -12.664 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.612 -8.054 -13.462 1.00 4.01 H new ATOM 0 HD12 LEU A 80 7.102 -6.372 -13.778 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.093 -7.560 -15.103 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.287 -9.860 -13.441 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.838 -9.438 -15.081 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.005 -9.501 -13.738 1.00 3.62 H new ATOM 1039 N PRO A 81 9.912 -4.099 -12.789 1.00 3.80 N ATOM 1040 CA PRO A 81 9.306 -3.223 -11.781 1.00 3.74 C ATOM 1041 C PRO A 81 7.842 -3.564 -11.528 1.00 2.98 C ATOM 1042 O PRO A 81 7.115 -3.938 -12.449 1.00 3.21 O ATOM 1043 CB PRO A 81 9.433 -1.829 -12.395 1.00 4.99 C ATOM 1044 CG PRO A 81 9.500 -2.066 -13.863 1.00 5.53 C ATOM 1045 CD PRO A 81 10.214 -3.376 -14.038 1.00 4.94 C ATOM 0 HA PRO A 81 9.794 -3.319 -10.811 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.580 -1.202 -12.134 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.326 -1.318 -12.035 1.00 4.99 H new ATOM 0 HG2 PRO A 81 8.501 -2.105 -14.298 1.00 5.53 H new ATOM 0 HG3 PRO A 81 10.035 -1.260 -14.365 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.853 -3.917 -14.913 1.00 4.94 H new ATOM 0 HD3 PRO A 81 11.287 -3.234 -14.171 1.00 4.94 H new ATOM 1053 N LEU A 82 7.415 -3.441 -10.275 1.00 2.52 N ATOM 1054 CA LEU A 82 6.037 -3.745 -9.901 1.00 1.87 C ATOM 1055 C LEU A 82 5.847 -3.633 -8.396 1.00 1.58 C ATOM 1056 O LEU A 82 6.783 -3.838 -7.624 1.00 2.06 O ATOM 1057 CB LEU A 82 5.667 -5.156 -10.355 1.00 1.92 C ATOM 1058 CG LEU A 82 6.759 -6.201 -10.130 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.055 -6.358 -8.646 1.00 2.25 C ATOM 1060 CD2 LEU A 82 6.356 -7.533 -10.736 1.00 2.10 C ATOM 0 H LEU A 82 8.003 -3.133 -9.501 1.00 2.52 H new ATOM 0 HA LEU A 82 5.387 -3.021 -10.393 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.767 -5.470 -9.826 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.420 -5.130 -11.416 1.00 1.92 H new ATOM 0 HG LEU A 82 7.667 -5.858 -10.626 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.835 -7.107 -8.508 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.391 -5.404 -8.239 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.151 -6.676 -8.126 1.00 2.25 H new ATOM 0 HD21 LEU A 82 7.146 -8.264 -10.566 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.434 -7.880 -10.270 1.00 2.10 H new ATOM 0 HD23 LEU A 82 6.198 -7.412 -11.808 1.00 2.10 H new ATOM 1066 N LEU A 83 4.629 -3.309 -7.984 1.00 1.15 N ATOM 1067 CA LEU A 83 4.319 -3.173 -6.567 1.00 1.18 C ATOM 1068 C LEU A 83 3.120 -4.034 -6.163 1.00 1.05 C ATOM 1069 O LEU A 83 2.947 -4.355 -4.988 1.00 1.39 O ATOM 1070 CB LEU A 83 4.068 -1.707 -6.224 1.00 1.20 C ATOM 1071 CG LEU A 83 5.334 -0.890 -5.961 1.00 2.03 C ATOM 1072 CD1 LEU A 83 6.094 -1.456 -4.773 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.219 -0.873 -7.198 1.00 2.48 C ATOM 0 H LEU A 83 3.841 -3.136 -8.609 1.00 1.15 H new ATOM 0 HA LEU A 83 5.179 -3.529 -6.001 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.517 -1.245 -7.043 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.430 -1.658 -5.342 1.00 1.20 H new ATOM 0 HG LEU A 83 5.043 0.134 -5.728 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.992 -0.863 -4.600 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.461 -1.423 -3.887 1.00 3.13 H new ATOM 0 HD13 LEU A 83 6.375 -2.489 -4.980 1.00 3.13 H new ATOM 0 HD21 LEU A 83 7.116 -0.288 -6.996 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.502 -1.893 -7.457 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.674 -0.426 -8.029 1.00 2.48 H new ATOM 1079 N GLY A 84 2.298 -4.415 -7.140 1.00 0.86 N ATOM 1080 CA GLY A 84 1.137 -5.242 -6.849 1.00 1.17 C ATOM 1081 C GLY A 84 0.010 -4.467 -6.193 1.00 1.02 C ATOM 1082 O GLY A 84 -0.077 -3.247 -6.335 1.00 0.95 O ATOM 0 H GLY A 84 2.414 -4.167 -8.123 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.774 -5.688 -7.775 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.436 -6.062 -6.196 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.860 -5.178 -5.474 1.00 1.00 N ATOM 1087 CA ASP A 85 -1.990 -4.545 -4.797 1.00 0.88 C ATOM 1088 C ASP A 85 -1.917 -4.756 -3.286 1.00 0.82 C ATOM 1089 O ASP A 85 -1.206 -5.641 -2.807 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.309 -5.092 -5.344 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.518 -4.415 -4.729 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.399 -3.237 -4.329 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.584 -5.062 -4.647 1.00 2.17 O ATOM 0 H ASP A 85 -0.803 -6.188 -5.346 1.00 1.00 H new ATOM 0 HA ASP A 85 -1.942 -3.473 -4.991 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.333 -4.959 -6.426 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.361 -6.164 -5.154 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.652 -3.934 -2.537 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.659 -4.028 -1.079 1.00 0.69 C ATOM 1100 C LEU A 86 -4.081 -3.978 -0.518 1.00 0.60 C ATOM 1101 O LEU A 86 -4.979 -3.389 -1.118 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.824 -2.894 -0.476 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.900 -3.302 0.674 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.131 -2.216 0.938 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.707 -3.589 1.933 1.00 1.10 C ATOM 0 H LEU A 86 -3.248 -3.198 -2.915 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.223 -4.989 -0.806 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.219 -2.451 -1.267 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.500 -2.117 -0.119 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.376 -4.214 0.387 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.780 -2.522 1.759 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.730 -2.057 0.041 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.377 -1.289 1.204 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -1.033 -3.877 2.739 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -2.258 -2.695 2.223 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.408 -4.401 1.739 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.267 -4.600 0.645 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.565 -4.635 1.313 1.00 0.59 C ATOM 1113 C VAL A 87 -5.406 -4.328 2.803 1.00 0.66 C ATOM 1114 O VAL A 87 -5.276 -5.235 3.624 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.248 -6.015 1.134 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.364 -6.220 2.151 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.776 -6.165 -0.286 1.00 1.15 C ATOM 0 H VAL A 87 -3.527 -5.091 1.147 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.196 -3.874 0.854 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.498 -6.786 1.310 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -7.821 -7.197 1.997 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -6.952 -6.167 3.159 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.118 -5.443 2.026 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.253 -7.139 -0.396 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.504 -5.380 -0.488 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.949 -6.084 -0.992 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.407 -3.041 3.145 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.247 -2.624 4.537 1.00 0.66 C ATOM 1123 C ILE A 88 -6.596 -2.393 5.217 1.00 0.74 C ATOM 1124 O ILE A 88 -7.605 -2.147 4.557 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.398 -1.335 4.637 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.989 -1.585 4.099 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.339 -0.828 6.070 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.081 -0.377 4.194 1.00 1.94 C ATOM 0 H ILE A 88 -5.516 -2.273 2.482 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.732 -3.436 5.051 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.875 -0.566 4.028 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.540 -2.411 4.650 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.057 -1.897 3.057 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.736 0.079 6.111 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.348 -0.609 6.420 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.891 -1.590 6.708 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.099 -0.628 3.794 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.508 0.445 3.619 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.982 -0.077 5.237 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.597 -2.467 6.547 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.810 -2.256 7.327 1.00 0.89 C ATOM 1134 C CYS A 89 -7.863 -0.823 7.854 1.00 0.78 C ATOM 1135 O CYS A 89 -6.850 -0.268 8.278 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.874 -3.248 8.489 1.00 1.12 C ATOM 1137 SG CYS A 89 -9.553 -3.745 8.941 1.00 1.32 S ATOM 0 H CYS A 89 -5.768 -2.672 7.106 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.670 -2.421 6.678 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.301 -4.137 8.226 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -7.391 -2.804 9.359 1.00 1.12 H new ATOM 0 HG CYS A 89 -10.235 -2.697 9.296 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.048 -0.224 7.805 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.236 1.154 8.258 1.00 0.91 C ATOM 1145 C ARG A 90 -9.484 1.245 9.765 1.00 0.81 C ATOM 1146 O ARG A 90 -9.613 2.341 10.308 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.400 1.807 7.503 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.701 1.018 7.563 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.318 1.052 8.953 1.00 2.56 C ATOM 1150 NE ARG A 90 -13.727 0.670 8.936 1.00 3.28 N ATOM 1151 CZ ARG A 90 -14.524 0.728 10.002 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.054 1.157 11.167 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -15.792 0.356 9.902 1.00 5.12 N ATOM 0 H ARG A 90 -9.896 -0.670 7.456 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.310 1.688 8.044 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.572 2.802 7.913 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.114 1.937 6.459 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -12.408 1.427 6.841 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.513 -0.016 7.274 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.768 0.379 9.610 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.219 2.055 9.369 1.00 2.56 H new ATOM 0 HE ARG A 90 -14.124 0.339 8.057 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.079 1.444 11.249 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.668 1.200 11.980 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -16.158 0.025 9.009 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -16.402 0.400 10.718 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.574 0.102 10.437 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.833 0.091 11.876 1.00 0.63 C ATOM 1169 C GLN A 91 -8.549 0.242 12.695 1.00 0.58 C ATOM 1170 O GLN A 91 -8.496 1.033 13.637 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.556 -1.200 12.274 1.00 0.69 C ATOM 1172 CG GLN A 91 -9.667 -2.435 12.259 1.00 0.83 C ATOM 1173 CD GLN A 91 -10.434 -3.710 12.553 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -10.229 -4.346 13.587 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -11.322 -4.090 11.642 1.00 1.12 N ATOM 0 H GLN A 91 -9.473 -0.821 10.015 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.467 0.949 12.097 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.974 -1.077 13.273 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -11.394 -1.359 11.595 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -9.187 -2.521 11.284 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -8.873 -2.315 12.996 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -11.459 -3.532 10.799 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -11.867 -4.940 11.785 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.528 -0.533 12.349 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.259 -0.500 13.073 1.00 0.60 C ATOM 1184 C VAL A 92 -5.428 0.738 12.740 1.00 0.55 C ATOM 1185 O VAL A 92 -5.112 1.539 13.622 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.419 -1.756 12.777 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.209 -1.822 13.698 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -6.268 -3.011 12.911 1.00 1.68 C ATOM 0 H VAL A 92 -7.552 -1.193 11.572 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.517 -0.467 14.131 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.061 -1.695 11.749 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -3.629 -2.717 13.473 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -3.588 -0.939 13.547 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.543 -1.858 14.735 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.657 -3.888 12.698 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.659 -3.079 13.926 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -7.097 -2.966 12.205 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.058 0.881 11.471 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.241 2.015 11.040 1.00 0.49 C ATOM 1194 C VAL A 93 -4.881 3.345 11.434 1.00 0.54 C ATOM 1195 O VAL A 93 -4.213 4.227 11.976 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.952 1.990 9.513 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.837 0.562 9.003 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.008 2.751 8.721 1.00 0.69 C ATOM 0 H VAL A 93 -5.308 0.231 10.726 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.287 1.920 11.558 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.997 2.493 9.362 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.635 0.573 7.932 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.023 0.055 9.521 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.771 0.032 9.190 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.767 2.708 7.659 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.985 2.299 8.890 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.028 3.791 9.047 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.177 3.482 11.169 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.894 4.704 11.509 1.00 0.69 C ATOM 1204 C GLU A 94 -6.840 4.948 13.012 1.00 0.67 C ATOM 1205 O GLU A 94 -6.756 6.089 13.466 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.348 4.622 11.041 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.043 5.972 10.971 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.242 6.598 12.339 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -9.492 5.847 13.305 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -9.147 7.838 12.443 1.00 1.98 O ATOM 0 H GLU A 94 -6.749 2.765 10.722 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.412 5.538 10.999 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.378 4.156 10.056 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.903 3.972 11.718 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.455 6.647 10.349 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -10.012 5.853 10.486 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.879 3.863 13.779 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.820 3.955 15.232 1.00 0.61 C ATOM 1219 C ARG A 95 -5.429 4.390 15.676 1.00 0.70 C ATOM 1220 O ARG A 95 -5.281 5.307 16.486 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.181 2.611 15.869 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.625 2.527 16.337 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.780 1.574 17.512 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.279 2.253 18.706 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.325 1.693 19.913 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -8.903 0.447 20.091 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.794 2.381 20.944 1.00 3.75 N ATOM 0 H ARG A 95 -6.951 2.912 13.418 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.544 4.701 15.561 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -6.995 1.815 15.148 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.522 2.432 16.718 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.973 3.519 16.625 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -9.256 2.195 15.513 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.464 0.771 17.239 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -7.818 1.112 17.733 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.612 3.212 18.609 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -8.541 -0.087 19.301 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -8.941 0.023 21.018 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -10.119 3.339 20.812 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -9.830 1.953 21.869 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.411 3.732 15.131 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.029 4.056 15.462 1.00 0.86 C ATOM 1243 C GLU A 96 -2.708 5.490 15.054 1.00 0.90 C ATOM 1244 O GLU A 96 -2.018 6.212 15.774 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.072 3.087 14.766 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.982 1.730 15.446 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.588 0.623 14.489 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -1.978 0.696 13.305 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -0.888 -0.316 14.922 1.00 2.50 O ATOM 0 H GLU A 96 -4.517 2.972 14.459 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.902 3.960 16.540 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.396 2.947 13.735 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.078 3.533 14.730 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -1.254 1.781 16.256 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.945 1.489 15.897 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.221 5.896 13.897 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.997 7.245 13.394 1.00 0.92 C ATOM 1258 C ALA A 97 -3.800 8.262 14.200 1.00 1.00 C ATOM 1259 O ALA A 97 -3.303 9.338 14.531 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.359 7.329 11.918 1.00 0.87 C ATOM 0 H ALA A 97 -3.795 5.310 13.291 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.939 7.481 13.505 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.186 8.343 11.558 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.741 6.632 11.352 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.410 7.072 11.786 1.00 0.87 H new ATOM 1266 N SER A 98 -5.042 7.909 14.514 1.00 0.92 N ATOM 1267 CA SER A 98 -5.914 8.786 15.285 1.00 1.01 C ATOM 1268 C SER A 98 -5.396 8.944 16.710 1.00 1.07 C ATOM 1269 O SER A 98 -5.549 10.000 17.325 1.00 1.18 O ATOM 1270 CB SER A 98 -7.341 8.235 15.305 1.00 0.99 C ATOM 1271 OG SER A 98 -7.393 6.976 15.954 1.00 1.50 O ATOM 0 H SER A 98 -5.467 7.021 14.246 1.00 0.92 H new ATOM 0 HA SER A 98 -5.920 9.766 14.807 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.999 8.938 15.816 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.711 8.137 14.284 1.00 0.99 H new ATOM 0 HG SER A 98 -6.490 6.599 16.009 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.780 7.886 17.229 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.234 7.907 18.583 1.00 1.13 C ATOM 1279 C GLU A 99 -2.831 8.505 18.592 1.00 1.27 C ATOM 1280 O GLU A 99 -2.426 9.149 19.560 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.203 6.493 19.164 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.583 5.917 19.436 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.671 5.224 20.783 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.975 5.662 21.722 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -6.437 4.244 20.897 1.00 2.88 O ATOM 0 H GLU A 99 -4.646 7.004 16.734 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.880 8.531 19.201 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -3.674 5.837 18.473 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.633 6.503 20.093 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -6.321 6.718 19.395 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.838 5.207 18.649 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.095 8.289 17.507 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.737 8.806 17.387 1.00 1.37 C ATOM 1294 C GLN A 100 -0.733 10.333 17.371 1.00 1.48 C ATOM 1295 O GLN A 100 0.268 10.963 17.713 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.075 8.270 16.116 1.00 1.33 C ATOM 1297 CG GLN A 100 0.705 6.982 16.331 1.00 1.96 C ATOM 1298 CD GLN A 100 2.157 7.100 15.908 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.460 7.258 14.726 1.00 3.19 O ATOM 1300 NE2 GLN A 100 3.064 7.023 16.875 1.00 2.35 N ATOM 0 H GLN A 100 -2.417 7.759 16.697 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.170 8.469 18.255 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.843 8.098 15.362 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.598 9.030 15.719 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.659 6.706 17.384 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.231 6.177 15.769 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.768 6.892 17.842 1.00 2.35 H new ATOM 0 HE22 GLN A 100 4.056 7.095 16.650 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.856 10.922 16.968 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.979 12.376 16.906 1.00 1.59 C ATOM 1309 C GLU A 101 -1.059 12.953 15.835 1.00 1.58 C ATOM 1310 O GLU A 101 -0.545 14.062 15.977 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.655 12.998 18.266 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.538 14.184 18.618 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.129 14.848 19.919 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -0.912 14.923 20.190 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -3.025 15.292 20.667 1.00 2.68 O ATOM 0 H GLU A 101 -2.693 10.415 16.680 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.009 12.617 16.644 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.759 12.236 19.039 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.613 13.317 18.271 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -2.496 14.916 17.811 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.573 13.852 18.693 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.856 12.192 14.765 1.00 1.36 N ATOM 1323 CA LYS A 102 0.000 12.626 13.668 1.00 1.36 C ATOM 1324 C LYS A 102 -0.782 12.681 12.357 1.00 1.24 C ATOM 1325 O LYS A 102 -1.835 12.058 12.227 1.00 1.16 O ATOM 1326 CB LYS A 102 1.199 11.682 13.526 1.00 1.37 C ATOM 1327 CG LYS A 102 2.536 12.354 13.792 1.00 1.77 C ATOM 1328 CD LYS A 102 3.699 11.431 13.464 1.00 2.28 C ATOM 1329 CE LYS A 102 3.907 10.389 14.550 1.00 2.19 C ATOM 1330 NZ LYS A 102 4.939 9.386 14.168 1.00 2.36 N ATOM 0 H LYS A 102 -1.273 11.270 14.634 1.00 1.36 H new ATOM 0 HA LYS A 102 0.362 13.629 13.895 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.078 10.847 14.216 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.205 11.265 12.519 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.612 13.263 13.196 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.592 12.654 14.839 1.00 1.77 H new ATOM 0 HD2 LYS A 102 3.513 10.934 12.512 1.00 2.28 H new ATOM 0 HD3 LYS A 102 4.609 12.019 13.344 1.00 2.28 H new ATOM 0 HE2 LYS A 102 4.206 10.883 15.474 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.964 9.881 14.751 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 5.051 8.693 14.936 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.642 8.896 13.300 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 5.846 9.867 14.001 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.276 13.433 11.365 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.933 13.568 10.061 1.00 1.21 C ATOM 1346 C PRO A 103 -1.223 12.217 9.416 1.00 1.01 C ATOM 1347 O PRO A 103 -0.313 11.420 9.186 1.00 0.97 O ATOM 1348 CB PRO A 103 0.083 14.353 9.226 1.00 1.28 C ATOM 1349 CG PRO A 103 0.902 15.096 10.223 1.00 1.36 C ATOM 1350 CD PRO A 103 0.975 14.211 11.436 1.00 1.42 C ATOM 0 HA PRO A 103 -1.903 14.058 10.144 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.701 13.686 8.625 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.414 15.035 8.536 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.898 15.306 9.832 1.00 1.36 H new ATOM 0 HG3 PRO A 103 0.446 16.056 10.466 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.852 13.565 11.410 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.035 14.793 12.356 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.495 11.968 9.127 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.908 10.714 8.506 1.00 0.93 C ATOM 1360 C LEU A 104 -2.215 10.515 7.160 1.00 0.85 C ATOM 1361 O LEU A 104 -2.067 9.387 6.688 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.428 10.690 8.321 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.169 9.666 9.183 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.670 9.779 8.974 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.689 8.257 8.866 1.00 1.51 C ATOM 0 H LEU A 104 -3.259 12.618 9.313 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.615 9.897 9.166 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.821 11.682 8.543 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.648 10.487 7.273 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.952 9.876 10.230 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.180 9.043 9.595 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -7.002 10.780 9.251 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.906 9.595 7.926 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.226 7.541 9.488 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.876 8.037 7.815 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.620 8.183 9.068 1.00 1.51 H new ATOM 1371 N MET A 105 -1.791 11.616 6.544 1.00 0.98 N ATOM 1372 CA MET A 105 -1.114 11.561 5.251 1.00 0.99 C ATOM 1373 C MET A 105 0.063 10.590 5.288 1.00 0.76 C ATOM 1374 O MET A 105 0.104 9.620 4.532 1.00 0.81 O ATOM 1375 CB MET A 105 -0.631 12.957 4.848 1.00 1.22 C ATOM 1376 CG MET A 105 -1.161 13.418 3.500 1.00 1.08 C ATOM 1377 SD MET A 105 -2.797 14.165 3.616 1.00 1.56 S ATOM 1378 CE MET A 105 -3.747 12.796 4.272 1.00 1.27 C ATOM 0 H MET A 105 -1.904 12.557 6.920 1.00 0.98 H new ATOM 0 HA MET A 105 -1.828 11.202 4.510 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.935 13.672 5.612 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.459 12.962 4.822 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.467 14.139 3.068 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.202 12.567 2.820 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.810 12.985 4.121 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.465 11.878 3.757 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.545 12.691 5.338 1.00 1.27 H new ATOM 1388 N ALA A 106 1.019 10.858 6.172 1.00 0.70 N ATOM 1389 CA ALA A 106 2.196 10.009 6.308 1.00 0.63 C ATOM 1390 C ALA A 106 1.802 8.573 6.641 1.00 0.54 C ATOM 1391 O ALA A 106 2.447 7.620 6.197 1.00 0.61 O ATOM 1392 CB ALA A 106 3.124 10.563 7.378 1.00 0.84 C ATOM 0 H ALA A 106 1.001 11.657 6.805 1.00 0.70 H new ATOM 0 HA ALA A 106 2.721 10.003 5.353 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.999 9.919 7.469 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.440 11.568 7.100 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.599 10.599 8.332 1.00 0.84 H new ATOM 1398 N HIS A 107 0.737 8.426 7.425 1.00 0.53 N ATOM 1399 CA HIS A 107 0.252 7.109 7.822 1.00 0.60 C ATOM 1400 C HIS A 107 0.011 6.223 6.604 1.00 0.55 C ATOM 1401 O HIS A 107 0.433 5.068 6.573 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.039 7.241 8.633 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.222 6.156 9.648 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.594 6.160 10.876 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.969 5.026 9.613 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.946 5.080 11.552 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.779 4.376 10.807 1.00 2.34 N ATOM 0 H HIS A 107 0.193 9.204 7.798 1.00 0.53 H new ATOM 0 HA HIS A 107 1.018 6.642 8.441 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.043 8.206 9.140 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.889 7.236 7.951 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.043 6.883 11.210 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.597 4.698 8.798 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.610 4.818 12.544 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.665 6.773 5.600 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.956 6.031 4.380 1.00 0.46 C ATOM 1418 C TRP A 108 0.334 5.626 3.675 1.00 0.43 C ATOM 1419 O TRP A 108 0.573 4.444 3.426 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.824 6.874 3.442 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.259 6.445 3.414 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.784 5.376 2.746 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.357 7.076 4.085 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.139 5.304 2.960 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.514 6.336 3.778 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.473 8.195 4.916 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.771 6.679 4.272 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.721 8.534 5.406 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.854 7.778 5.083 1.00 2.00 C ATOM 0 H TRP A 108 -1.021 7.729 5.608 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.501 5.127 4.651 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.771 7.918 3.750 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.416 6.818 2.433 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.216 4.687 2.138 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.764 4.597 2.573 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.604 8.784 5.170 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.647 6.099 4.024 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.823 9.396 6.048 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.814 8.068 5.483 1.00 2.00 H new ATOM 1440 N ALA A 109 1.165 6.618 3.358 1.00 0.47 N ATOM 1441 CA ALA A 109 2.435 6.371 2.685 1.00 0.51 C ATOM 1442 C ALA A 109 3.250 5.312 3.419 1.00 0.49 C ATOM 1443 O ALA A 109 3.808 4.405 2.802 1.00 0.64 O ATOM 1444 CB ALA A 109 3.227 7.665 2.566 1.00 0.62 C ATOM 0 H ALA A 109 0.979 7.601 3.558 1.00 0.47 H new ATOM 0 HA ALA A 109 2.222 5.995 1.684 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.173 7.468 2.062 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.653 8.391 1.990 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.423 8.065 3.561 1.00 0.62 H new ATOM 1450 N HIS A 110 3.309 5.429 4.740 1.00 0.44 N ATOM 1451 CA HIS A 110 4.050 4.475 5.556 1.00 0.53 C ATOM 1452 C HIS A 110 3.316 3.140 5.615 1.00 0.60 C ATOM 1453 O HIS A 110 3.931 2.072 5.546 1.00 0.86 O ATOM 1454 CB HIS A 110 4.250 5.028 6.969 1.00 0.57 C ATOM 1455 CG HIS A 110 5.666 4.950 7.447 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.308 3.758 7.713 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.569 5.926 7.708 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.541 4.004 8.117 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.725 5.312 8.122 1.00 2.16 N ATOM 0 H HIS A 110 2.854 6.173 5.268 1.00 0.44 H new ATOM 0 HA HIS A 110 5.027 4.316 5.099 1.00 0.53 H new ATOM 0 HB2 HIS A 110 3.924 6.068 6.993 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.611 4.478 7.660 1.00 0.57 H new ATOM 0 HD2 HIS A 110 6.409 6.989 7.609 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.274 3.262 8.396 1.00 1.93 H new ATOM 0 HE2 HIS A 110 8.586 5.788 8.390 1.00 2.16 H new ATOM 1468 N MET A 111 1.996 3.209 5.745 1.00 0.50 N ATOM 1469 CA MET A 111 1.171 2.013 5.820 1.00 0.59 C ATOM 1470 C MET A 111 1.326 1.149 4.571 1.00 0.59 C ATOM 1471 O MET A 111 1.651 -0.035 4.662 1.00 0.78 O ATOM 1472 CB MET A 111 -0.295 2.396 6.013 1.00 0.63 C ATOM 1473 CG MET A 111 -0.699 2.519 7.473 1.00 1.24 C ATOM 1474 SD MET A 111 -0.521 0.965 8.370 1.00 2.04 S ATOM 1475 CE MET A 111 -1.361 -0.155 7.254 1.00 1.59 C ATOM 0 H MET A 111 1.475 4.084 5.801 1.00 0.50 H new ATOM 0 HA MET A 111 1.507 1.429 6.677 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.484 3.344 5.510 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.925 1.648 5.531 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.088 3.284 7.953 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.735 2.853 7.533 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.638 -1.063 7.790 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.259 0.325 6.864 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.698 -0.410 6.427 1.00 1.59 H new ATOM 1485 N VAL A 112 1.085 1.742 3.404 1.00 0.51 N ATOM 1486 CA VAL A 112 1.193 1.013 2.144 1.00 0.58 C ATOM 1487 C VAL A 112 2.530 0.279 2.034 1.00 0.64 C ATOM 1488 O VAL A 112 2.573 -0.902 1.686 1.00 0.78 O ATOM 1489 CB VAL A 112 1.033 1.952 0.931 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.389 2.486 0.854 1.00 1.46 C ATOM 1491 CG2 VAL A 112 2.034 3.094 1.000 1.00 1.42 C ATOM 0 H VAL A 112 0.815 2.721 3.305 1.00 0.51 H new ATOM 0 HA VAL A 112 0.384 0.283 2.138 1.00 0.58 H new ATOM 0 HB VAL A 112 1.233 1.380 0.025 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.483 3.147 -0.008 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.085 1.654 0.751 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.619 3.041 1.764 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.904 3.744 0.135 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.870 3.667 1.913 1.00 1.42 H new ATOM 0 HG23 VAL A 112 3.047 2.691 1.002 1.00 1.42 H new ATOM 1495 N VAL A 113 3.616 0.985 2.334 1.00 0.61 N ATOM 1496 CA VAL A 113 4.951 0.400 2.266 1.00 0.72 C ATOM 1497 C VAL A 113 5.134 -0.694 3.316 1.00 0.82 C ATOM 1498 O VAL A 113 5.716 -1.741 3.035 1.00 1.03 O ATOM 1499 CB VAL A 113 6.044 1.472 2.455 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.431 0.849 2.392 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.900 2.567 1.410 1.00 0.63 C ATOM 0 H VAL A 113 3.598 1.962 2.626 1.00 0.61 H new ATOM 0 HA VAL A 113 5.051 -0.040 1.274 1.00 0.72 H new ATOM 0 HB VAL A 113 5.919 1.917 3.442 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.185 1.625 2.528 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.531 0.103 3.181 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.572 0.372 1.422 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.679 3.315 1.557 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.996 2.134 0.414 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.922 3.037 1.508 1.00 0.63 H new ATOM 1505 N HIS A 114 4.644 -0.445 4.527 1.00 0.75 N ATOM 1506 CA HIS A 114 4.771 -1.415 5.612 1.00 0.85 C ATOM 1507 C HIS A 114 4.118 -2.749 5.244 1.00 0.96 C ATOM 1508 O HIS A 114 4.725 -3.810 5.393 1.00 1.08 O ATOM 1509 CB HIS A 114 4.160 -0.849 6.906 1.00 0.89 C ATOM 1510 CG HIS A 114 2.904 -1.539 7.354 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.901 -2.758 7.996 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.606 -1.176 7.238 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.654 -3.116 8.251 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.847 -2.172 7.801 1.00 1.36 N ATOM 0 H HIS A 114 4.158 0.415 4.782 1.00 0.75 H new ATOM 0 HA HIS A 114 5.832 -1.601 5.778 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.901 -0.917 7.703 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.946 0.210 6.759 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.731 -3.300 8.237 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.235 -0.269 6.785 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.347 -4.027 8.744 1.00 1.30 H new ATOM 1523 N GLY A 115 2.875 -2.686 4.781 1.00 1.03 N ATOM 1524 CA GLY A 115 2.153 -3.891 4.419 1.00 1.18 C ATOM 1525 C GLY A 115 2.494 -4.406 3.032 1.00 1.20 C ATOM 1526 O GLY A 115 2.198 -5.555 2.706 1.00 1.36 O ATOM 0 H GLY A 115 2.353 -1.819 4.650 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.370 -4.669 5.151 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.082 -3.694 4.472 1.00 1.18 H new ATOM 1530 N SER A 116 3.107 -3.561 2.210 1.00 1.17 N ATOM 1531 CA SER A 116 3.469 -3.956 0.853 1.00 1.26 C ATOM 1532 C SER A 116 4.719 -4.835 0.838 1.00 1.36 C ATOM 1533 O SER A 116 4.811 -5.777 0.052 1.00 1.63 O ATOM 1534 CB SER A 116 3.695 -2.721 -0.020 1.00 1.31 C ATOM 1535 OG SER A 116 2.464 -2.163 -0.446 1.00 1.72 O ATOM 0 H SER A 116 3.362 -2.605 2.457 1.00 1.17 H new ATOM 0 HA SER A 116 2.640 -4.537 0.449 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.261 -1.976 0.539 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.295 -2.991 -0.889 1.00 1.31 H new ATOM 0 HG SER A 116 2.308 -1.317 0.024 1.00 1.72 H new ATOM 1541 N LEU A 117 5.683 -4.514 1.694 1.00 1.28 N ATOM 1542 CA LEU A 117 6.931 -5.271 1.758 1.00 1.49 C ATOM 1543 C LEU A 117 6.803 -6.511 2.640 1.00 1.69 C ATOM 1544 O LEU A 117 7.029 -7.634 2.189 1.00 1.94 O ATOM 1545 CB LEU A 117 8.060 -4.381 2.280 1.00 1.49 C ATOM 1546 CG LEU A 117 8.662 -3.435 1.243 1.00 1.78 C ATOM 1547 CD1 LEU A 117 8.139 -2.022 1.443 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.181 -3.462 1.310 1.00 2.38 C ATOM 0 H LEU A 117 5.626 -3.737 2.352 1.00 1.28 H new ATOM 0 HA LEU A 117 7.162 -5.604 0.746 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.682 -3.790 3.114 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.852 -5.017 2.674 1.00 1.49 H new ATOM 0 HG LEU A 117 8.360 -3.774 0.252 1.00 1.78 H new ATOM 0 HD11 LEU A 117 8.579 -1.362 0.695 1.00 2.07 H new ATOM 0 HD12 LEU A 117 7.054 -2.017 1.338 1.00 2.07 H new ATOM 0 HD13 LEU A 117 8.409 -1.672 2.439 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.590 -2.781 0.563 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.507 -3.151 2.302 1.00 2.38 H new ATOM 0 HD23 LEU A 117 10.536 -4.473 1.112 1.00 2.38 H new ATOM 1554 N HIS A 118 6.454 -6.298 3.905 1.00 1.70 N ATOM 1555 CA HIS A 118 6.313 -7.392 4.864 1.00 2.04 C ATOM 1556 C HIS A 118 5.390 -8.496 4.349 1.00 2.25 C ATOM 1557 O HIS A 118 5.434 -9.625 4.838 1.00 2.60 O ATOM 1558 CB HIS A 118 5.781 -6.854 6.195 1.00 2.10 C ATOM 1559 CG HIS A 118 6.790 -6.888 7.300 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.471 -7.220 8.600 1.00 2.63 N ATOM 1561 CD2 HIS A 118 8.120 -6.631 7.295 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.560 -7.163 9.347 1.00 3.13 C ATOM 1563 NE2 HIS A 118 8.574 -6.809 8.579 1.00 3.28 N ATOM 0 H HIS A 118 6.263 -5.374 4.292 1.00 1.70 H new ATOM 0 HA HIS A 118 7.301 -7.829 5.007 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.443 -5.827 6.054 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.910 -7.438 6.491 1.00 2.10 H new ATOM 0 HD2 HIS A 118 8.713 -6.340 6.440 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.612 -7.371 10.406 1.00 3.13 H new ATOM 0 HE2 HIS A 118 9.538 -6.687 8.889 1.00 3.28 H new ATOM 1572 N LEU A 119 4.542 -8.170 3.379 1.00 2.15 N ATOM 1573 CA LEU A 119 3.602 -9.143 2.833 1.00 2.45 C ATOM 1574 C LEU A 119 4.227 -10.004 1.737 1.00 2.53 C ATOM 1575 O LEU A 119 4.008 -11.215 1.701 1.00 2.98 O ATOM 1576 CB LEU A 119 2.354 -8.428 2.297 1.00 2.52 C ATOM 1577 CG LEU A 119 1.467 -9.246 1.346 1.00 2.47 C ATOM 1578 CD1 LEU A 119 2.017 -9.198 -0.071 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.334 -10.688 1.820 1.00 2.27 C ATOM 0 H LEU A 119 4.486 -7.244 2.956 1.00 2.15 H new ATOM 0 HA LEU A 119 3.320 -9.811 3.646 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.748 -8.112 3.146 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.672 -7.524 1.778 1.00 2.52 H new ATOM 0 HG LEU A 119 0.473 -8.800 1.348 1.00 2.47 H new ATOM 0 HD11 LEU A 119 1.376 -9.783 -0.730 1.00 3.30 H new ATOM 0 HD12 LEU A 119 2.045 -8.164 -0.416 1.00 3.30 H new ATOM 0 HD13 LEU A 119 3.025 -9.612 -0.084 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.701 -11.242 1.127 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.320 -11.151 1.859 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.886 -10.705 2.813 1.00 2.27 H new ATOM 1585 N LEU A 120 4.972 -9.389 0.825 1.00 2.25 N ATOM 1586 CA LEU A 120 5.569 -10.143 -0.273 1.00 2.47 C ATOM 1587 C LEU A 120 7.097 -10.121 -0.256 1.00 2.57 C ATOM 1588 O LEU A 120 7.730 -11.176 -0.214 1.00 3.07 O ATOM 1589 CB LEU A 120 5.044 -9.619 -1.611 1.00 2.62 C ATOM 1590 CG LEU A 120 5.238 -8.121 -1.848 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.450 -7.873 -2.733 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.988 -7.512 -2.468 1.00 2.88 C ATOM 0 H LEU A 120 5.175 -8.389 0.822 1.00 2.25 H new ATOM 0 HA LEU A 120 5.274 -11.184 -0.140 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.538 -10.164 -2.415 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.980 -9.846 -1.679 1.00 2.62 H new ATOM 0 HG LEU A 120 5.412 -7.640 -0.885 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.572 -6.801 -2.891 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.341 -8.273 -2.250 1.00 3.20 H new ATOM 0 HD13 LEU A 120 6.306 -8.367 -3.694 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.145 -6.445 -2.629 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.782 -7.997 -3.422 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.141 -7.657 -1.797 1.00 2.88 H new ATOM 1598 N GLY A 121 7.693 -8.933 -0.308 1.00 2.56 N ATOM 1599 CA GLY A 121 9.144 -8.850 -0.316 1.00 3.27 C ATOM 1600 C GLY A 121 9.685 -8.393 -1.658 1.00 3.49 C ATOM 1601 O GLY A 121 10.281 -9.180 -2.394 1.00 4.12 O ATOM 0 H GLY A 121 7.206 -8.038 -0.344 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.471 -8.158 0.460 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.563 -9.826 -0.070 1.00 3.27 H new ATOM 1605 N TYR A 122 9.459 -7.123 -1.983 1.00 3.41 N ATOM 1606 CA TYR A 122 9.907 -6.544 -3.255 1.00 4.05 C ATOM 1607 C TYR A 122 11.385 -6.820 -3.560 1.00 4.04 C ATOM 1608 O TYR A 122 11.867 -6.458 -4.632 1.00 4.29 O ATOM 1609 CB TYR A 122 9.673 -5.035 -3.261 1.00 4.92 C ATOM 1610 CG TYR A 122 8.217 -4.640 -3.212 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.313 -5.112 -4.154 1.00 5.07 C ATOM 1612 CD2 TYR A 122 7.748 -3.789 -2.223 1.00 5.29 C ATOM 1613 CE1 TYR A 122 5.981 -4.746 -4.109 1.00 5.49 C ATOM 1614 CE2 TYR A 122 6.420 -3.417 -2.169 1.00 5.72 C ATOM 1615 CZ TYR A 122 5.540 -3.898 -3.114 1.00 5.83 C ATOM 1616 OH TYR A 122 4.215 -3.530 -3.065 1.00 6.50 O ATOM 0 H TYR A 122 8.964 -6.467 -1.379 1.00 3.41 H new ATOM 0 HA TYR A 122 9.316 -7.028 -4.032 1.00 4.05 H new ATOM 0 HB2 TYR A 122 10.187 -4.594 -2.407 1.00 4.92 H new ATOM 0 HB3 TYR A 122 10.124 -4.611 -4.158 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.656 -5.776 -4.934 1.00 5.07 H new ATOM 0 HD2 TYR A 122 8.435 -3.410 -1.481 1.00 5.29 H new ATOM 0 HE1 TYR A 122 5.289 -5.122 -4.848 1.00 5.49 H new ATOM 0 HE2 TYR A 122 6.073 -2.753 -1.391 1.00 5.72 H new ATOM 0 HH TYR A 122 3.665 -4.232 -3.472 1.00 6.50 H new ATOM 1626 N ASP A 123 12.107 -7.448 -2.633 1.00 4.20 N ATOM 1627 CA ASP A 123 13.523 -7.753 -2.832 1.00 4.65 C ATOM 1628 C ASP A 123 13.734 -8.799 -3.936 1.00 4.02 C ATOM 1629 O ASP A 123 14.550 -9.709 -3.788 1.00 4.67 O ATOM 1630 CB ASP A 123 14.141 -8.249 -1.523 1.00 5.43 C ATOM 1631 CG ASP A 123 15.594 -7.841 -1.375 1.00 6.23 C ATOM 1632 OD1 ASP A 123 16.228 -7.522 -2.403 1.00 6.82 O ATOM 1633 OD2 ASP A 123 16.096 -7.841 -0.232 1.00 6.57 O ATOM 0 H ASP A 123 11.734 -7.756 -1.735 1.00 4.20 H new ATOM 0 HA ASP A 123 14.016 -6.833 -3.147 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.569 -7.855 -0.683 1.00 5.43 H new ATOM 0 HB3 ASP A 123 14.066 -9.335 -1.478 1.00 5.43 H new ATOM 1638 N HIS A 124 12.998 -8.662 -5.042 1.00 2.97 N ATOM 1639 CA HIS A 124 13.105 -9.587 -6.170 1.00 2.45 C ATOM 1640 C HIS A 124 14.559 -9.898 -6.502 1.00 2.10 C ATOM 1641 O HIS A 124 15.037 -11.013 -6.296 1.00 2.45 O ATOM 1642 CB HIS A 124 12.441 -8.981 -7.410 1.00 2.23 C ATOM 1643 CG HIS A 124 10.947 -9.052 -7.410 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.173 -8.775 -6.305 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.084 -9.351 -8.408 1.00 2.98 C ATOM 1646 CE1 HIS A 124 8.896 -8.900 -6.623 1.00 2.83 C ATOM 1647 NE2 HIS A 124 8.815 -9.249 -7.894 1.00 3.06 N ATOM 0 H HIS A 124 12.318 -7.914 -5.179 1.00 2.97 H new ATOM 0 HA HIS A 124 12.603 -10.511 -5.883 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.743 -7.937 -7.495 1.00 2.23 H new ATOM 0 HB3 HIS A 124 12.817 -9.494 -8.295 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.345 -9.620 -9.421 1.00 2.98 H new ATOM 0 HE1 HIS A 124 8.061 -8.743 -5.956 1.00 2.83 H new ATOM 0 HE2 HIS A 124 7.951 -9.416 -8.410 1.00 3.06 H new ATOM 1656 N ILE A 125 15.247 -8.894 -7.030 1.00 1.91 N ATOM 1657 CA ILE A 125 16.642 -9.030 -7.415 1.00 2.11 C ATOM 1658 C ILE A 125 17.453 -7.830 -6.939 1.00 2.10 C ATOM 1659 O ILE A 125 16.941 -6.713 -6.868 1.00 1.90 O ATOM 1660 CB ILE A 125 16.790 -9.167 -8.945 1.00 2.32 C ATOM 1661 CG1 ILE A 125 16.045 -8.031 -9.662 1.00 2.52 C ATOM 1662 CG2 ILE A 125 16.285 -10.529 -9.408 1.00 2.86 C ATOM 1663 CD1 ILE A 125 14.536 -8.163 -9.647 1.00 3.27 C ATOM 0 H ILE A 125 14.855 -7.968 -7.202 1.00 1.91 H new ATOM 0 HA ILE A 125 17.021 -9.935 -6.941 1.00 2.11 H new ATOM 0 HB ILE A 125 17.847 -9.092 -9.201 1.00 2.32 H new ATOM 0 HG12 ILE A 125 16.319 -7.084 -9.198 1.00 2.52 H new ATOM 0 HG13 ILE A 125 16.383 -7.988 -10.697 1.00 2.52 H new ATOM 0 HG21 ILE A 125 16.396 -10.610 -10.489 1.00 2.86 H new ATOM 0 HG22 ILE A 125 16.864 -11.316 -8.924 1.00 2.86 H new ATOM 0 HG23 ILE A 125 15.233 -10.637 -9.142 1.00 2.86 H new ATOM 0 HD11 ILE A 125 14.092 -7.319 -10.175 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.247 -9.092 -10.139 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.182 -8.173 -8.616 1.00 3.27 H new ATOM 1667 N GLU A 126 18.719 -8.066 -6.611 1.00 2.54 N ATOM 1668 CA GLU A 126 19.595 -6.999 -6.137 1.00 2.75 C ATOM 1669 C GLU A 126 20.270 -6.268 -7.298 1.00 2.70 C ATOM 1670 O GLU A 126 21.146 -5.432 -7.084 1.00 2.83 O ATOM 1671 CB GLU A 126 20.657 -7.572 -5.197 1.00 3.67 C ATOM 1672 CG GLU A 126 21.377 -8.786 -5.759 1.00 4.39 C ATOM 1673 CD GLU A 126 20.895 -10.086 -5.147 1.00 5.41 C ATOM 1674 OE1 GLU A 126 19.709 -10.428 -5.338 1.00 6.01 O ATOM 1675 OE2 GLU A 126 21.703 -10.761 -4.475 1.00 5.87 O ATOM 0 H GLU A 126 19.161 -8.984 -6.664 1.00 2.54 H new ATOM 0 HA GLU A 126 18.980 -6.278 -5.598 1.00 2.75 H new ATOM 0 HB2 GLU A 126 21.390 -6.796 -4.975 1.00 3.67 H new ATOM 0 HB3 GLU A 126 20.185 -7.845 -4.253 1.00 3.67 H new ATOM 0 HG2 GLU A 126 21.232 -8.822 -6.839 1.00 4.39 H new ATOM 0 HG3 GLU A 126 22.448 -8.682 -5.584 1.00 4.39 H new ATOM 1682 N ASP A 127 19.863 -6.586 -8.525 1.00 2.79 N ATOM 1683 CA ASP A 127 20.440 -5.951 -9.703 1.00 3.14 C ATOM 1684 C ASP A 127 19.685 -4.677 -10.078 1.00 2.88 C ATOM 1685 O ASP A 127 20.216 -3.573 -9.955 1.00 3.08 O ATOM 1686 CB ASP A 127 20.436 -6.924 -10.883 1.00 3.66 C ATOM 1687 CG ASP A 127 21.172 -8.213 -10.570 1.00 4.67 C ATOM 1688 OD1 ASP A 127 22.408 -8.249 -10.745 1.00 5.29 O ATOM 1689 OD2 ASP A 127 20.511 -9.187 -10.150 1.00 5.15 O ATOM 0 H ASP A 127 19.140 -7.276 -8.727 1.00 2.79 H new ATOM 0 HA ASP A 127 21.467 -5.677 -9.463 1.00 3.14 H new ATOM 0 HB2 ASP A 127 19.407 -7.154 -11.158 1.00 3.66 H new ATOM 0 HB3 ASP A 127 20.897 -6.446 -11.747 1.00 3.66 H new ATOM 1694 N ASP A 128 18.452 -4.839 -10.550 1.00 2.70 N ATOM 1695 CA ASP A 128 17.632 -3.701 -10.958 1.00 2.87 C ATOM 1696 C ASP A 128 16.678 -3.260 -9.851 1.00 2.37 C ATOM 1697 O ASP A 128 16.856 -2.202 -9.248 1.00 2.51 O ATOM 1698 CB ASP A 128 16.840 -4.050 -12.220 1.00 3.34 C ATOM 1699 CG ASP A 128 16.969 -2.988 -13.294 1.00 3.82 C ATOM 1700 OD1 ASP A 128 18.060 -2.878 -13.892 1.00 4.30 O ATOM 1701 OD2 ASP A 128 15.978 -2.267 -13.538 1.00 4.15 O ATOM 0 H ASP A 128 17.999 -5.746 -10.660 1.00 2.70 H new ATOM 0 HA ASP A 128 18.305 -2.869 -11.166 1.00 2.87 H new ATOM 0 HB2 ASP A 128 17.190 -5.005 -12.613 1.00 3.34 H new ATOM 0 HB3 ASP A 128 15.788 -4.177 -11.963 1.00 3.34 H new ATOM 1706 N GLU A 129 15.654 -4.072 -9.606 1.00 2.02 N ATOM 1707 CA GLU A 129 14.646 -3.772 -8.587 1.00 1.94 C ATOM 1708 C GLU A 129 15.277 -3.248 -7.298 1.00 1.62 C ATOM 1709 O GLU A 129 14.668 -2.458 -6.578 1.00 1.65 O ATOM 1710 CB GLU A 129 13.809 -5.017 -8.286 1.00 2.14 C ATOM 1711 CG GLU A 129 12.544 -4.721 -7.494 1.00 3.04 C ATOM 1712 CD GLU A 129 11.356 -4.419 -8.386 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.778 -5.372 -8.950 1.00 4.68 O ATOM 1714 OE2 GLU A 129 11.003 -3.228 -8.522 1.00 4.72 O ATOM 0 H GLU A 129 15.497 -4.950 -10.102 1.00 2.02 H new ATOM 0 HA GLU A 129 14.003 -2.988 -8.987 1.00 1.94 H new ATOM 0 HB2 GLU A 129 13.536 -5.497 -9.226 1.00 2.14 H new ATOM 0 HB3 GLU A 129 14.418 -5.729 -7.729 1.00 2.14 H new ATOM 0 HG2 GLU A 129 12.309 -5.575 -6.859 1.00 3.04 H new ATOM 0 HG3 GLU A 129 12.723 -3.872 -6.834 1.00 3.04 H new ATOM 1721 N ALA A 130 16.496 -3.690 -7.010 1.00 1.57 N ATOM 1722 CA ALA A 130 17.199 -3.261 -5.805 1.00 1.56 C ATOM 1723 C ALA A 130 17.223 -1.738 -5.690 1.00 1.41 C ATOM 1724 O ALA A 130 16.488 -1.152 -4.893 1.00 1.33 O ATOM 1725 CB ALA A 130 18.615 -3.818 -5.796 1.00 1.92 C ATOM 0 H ALA A 130 17.018 -4.344 -7.593 1.00 1.57 H new ATOM 0 HA ALA A 130 16.660 -3.652 -4.942 1.00 1.56 H new ATOM 0 HB1 ALA A 130 19.129 -3.491 -4.892 1.00 1.92 H new ATOM 0 HB2 ALA A 130 18.578 -4.907 -5.818 1.00 1.92 H new ATOM 0 HB3 ALA A 130 19.154 -3.456 -6.671 1.00 1.92 H new ATOM 1731 N GLU A 131 18.074 -1.104 -6.491 1.00 1.46 N ATOM 1732 CA GLU A 131 18.197 0.350 -6.481 1.00 1.46 C ATOM 1733 C GLU A 131 16.853 1.018 -6.751 1.00 1.38 C ATOM 1734 O GLU A 131 16.478 1.976 -6.076 1.00 1.37 O ATOM 1735 CB GLU A 131 19.223 0.802 -7.523 1.00 1.66 C ATOM 1736 CG GLU A 131 20.658 0.757 -7.022 1.00 1.92 C ATOM 1737 CD GLU A 131 21.233 2.138 -6.774 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.507 2.993 -6.222 1.00 3.30 O ATOM 1739 OE2 GLU A 131 22.408 2.365 -7.130 1.00 2.84 O ATOM 0 H GLU A 131 18.689 -1.574 -7.155 1.00 1.46 H new ATOM 0 HA GLU A 131 18.536 0.652 -5.490 1.00 1.46 H new ATOM 0 HB2 GLU A 131 19.135 0.169 -8.406 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.988 1.819 -7.835 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.698 0.179 -6.098 1.00 1.92 H new ATOM 0 HG3 GLU A 131 21.277 0.235 -7.752 1.00 1.92 H new ATOM 1746 N GLU A 132 16.131 0.503 -7.741 1.00 1.44 N ATOM 1747 CA GLU A 132 14.826 1.046 -8.102 1.00 1.53 C ATOM 1748 C GLU A 132 13.892 1.074 -6.896 1.00 1.29 C ATOM 1749 O GLU A 132 13.426 2.137 -6.483 1.00 1.22 O ATOM 1750 CB GLU A 132 14.198 0.219 -9.226 1.00 1.86 C ATOM 1751 CG GLU A 132 15.004 0.233 -10.515 1.00 2.46 C ATOM 1752 CD GLU A 132 15.295 1.638 -11.005 1.00 2.96 C ATOM 1753 OE1 GLU A 132 16.131 2.324 -10.380 1.00 3.44 O ATOM 1754 OE2 GLU A 132 14.687 2.053 -12.015 1.00 3.37 O ATOM 0 H GLU A 132 16.428 -0.291 -8.308 1.00 1.44 H new ATOM 0 HA GLU A 132 14.972 2.069 -8.449 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.086 -0.811 -8.889 1.00 1.86 H new ATOM 0 HB3 GLU A 132 13.197 0.599 -9.429 1.00 1.86 H new ATOM 0 HG2 GLU A 132 15.944 -0.295 -10.357 1.00 2.46 H new ATOM 0 HG3 GLU A 132 14.459 -0.311 -11.286 1.00 2.46 H new ATOM 1761 N MET A 133 13.626 -0.100 -6.332 1.00 1.28 N ATOM 1762 CA MET A 133 12.751 -0.209 -5.171 1.00 1.23 C ATOM 1763 C MET A 133 13.295 0.610 -4.004 1.00 0.98 C ATOM 1764 O MET A 133 12.559 1.366 -3.369 1.00 0.92 O ATOM 1765 CB MET A 133 12.600 -1.674 -4.757 1.00 1.53 C ATOM 1766 CG MET A 133 11.282 -1.979 -4.067 1.00 1.39 C ATOM 1767 SD MET A 133 11.111 -1.130 -2.486 1.00 2.20 S ATOM 1768 CE MET A 133 9.500 -0.375 -2.683 1.00 2.47 C ATOM 0 H MET A 133 14.004 -0.989 -6.660 1.00 1.28 H new ATOM 0 HA MET A 133 11.772 0.186 -5.444 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.691 -2.304 -5.642 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.420 -1.941 -4.090 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.459 -1.690 -4.721 1.00 1.39 H new ATOM 0 HG3 MET A 133 11.200 -3.054 -3.908 1.00 1.39 H new ATOM 0 HE1 MET A 133 9.019 -0.285 -1.709 1.00 2.47 H new ATOM 0 HE2 MET A 133 9.614 0.615 -3.125 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.885 -0.995 -3.335 1.00 2.47 H new ATOM 1778 N GLU A 134 14.588 0.457 -3.732 1.00 1.00 N ATOM 1779 CA GLU A 134 15.232 1.187 -2.644 1.00 0.98 C ATOM 1780 C GLU A 134 14.995 2.688 -2.787 1.00 0.85 C ATOM 1781 O GLU A 134 14.496 3.340 -1.869 1.00 0.92 O ATOM 1782 CB GLU A 134 16.734 0.896 -2.622 1.00 1.17 C ATOM 1783 CG GLU A 134 17.086 -0.440 -1.991 1.00 1.00 C ATOM 1784 CD GLU A 134 18.351 -0.376 -1.158 1.00 1.57 C ATOM 1785 OE1 GLU A 134 19.191 0.510 -1.422 1.00 2.40 O ATOM 1786 OE2 GLU A 134 18.503 -1.211 -0.242 1.00 2.11 O ATOM 0 H GLU A 134 15.210 -0.165 -4.249 1.00 1.00 H new ATOM 0 HA GLU A 134 14.793 0.853 -1.704 1.00 0.98 H new ATOM 0 HB2 GLU A 134 17.115 0.917 -3.643 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.242 1.691 -2.076 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.258 -0.770 -1.363 1.00 1.00 H new ATOM 0 HG3 GLU A 134 17.209 -1.187 -2.775 1.00 1.00 H new ATOM 1793 N SER A 135 15.353 3.228 -3.948 1.00 0.80 N ATOM 1794 CA SER A 135 15.174 4.649 -4.215 1.00 0.84 C ATOM 1795 C SER A 135 13.695 5.019 -4.183 1.00 0.80 C ATOM 1796 O SER A 135 13.313 6.044 -3.618 1.00 0.82 O ATOM 1797 CB SER A 135 15.769 5.015 -5.575 1.00 0.97 C ATOM 1798 OG SER A 135 15.339 4.114 -6.580 1.00 1.29 O ATOM 0 H SER A 135 15.768 2.703 -4.717 1.00 0.80 H new ATOM 0 HA SER A 135 15.694 5.209 -3.437 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.475 6.030 -5.843 1.00 0.97 H new ATOM 0 HB3 SER A 135 16.857 5.004 -5.514 1.00 0.97 H new ATOM 0 HG SER A 135 15.995 3.392 -6.675 1.00 1.29 H new ATOM 1804 N LEU A 136 12.869 4.175 -4.794 1.00 0.81 N ATOM 1805 CA LEU A 136 11.432 4.410 -4.838 1.00 0.87 C ATOM 1806 C LEU A 136 10.860 4.558 -3.434 1.00 0.73 C ATOM 1807 O LEU A 136 10.299 5.597 -3.091 1.00 0.85 O ATOM 1808 CB LEU A 136 10.728 3.263 -5.571 1.00 0.98 C ATOM 1809 CG LEU A 136 9.244 3.494 -5.870 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.411 3.335 -4.606 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.029 4.871 -6.482 1.00 1.73 C ATOM 0 H LEU A 136 13.171 3.322 -5.265 1.00 0.81 H new ATOM 0 HA LEU A 136 11.259 5.340 -5.380 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.248 3.081 -6.512 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.825 2.357 -4.973 1.00 0.98 H new ATOM 0 HG LEU A 136 8.920 2.743 -6.591 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.360 3.503 -4.840 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.538 2.327 -4.211 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.738 4.061 -3.861 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.968 5.016 -6.687 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.372 5.636 -5.786 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.592 4.948 -7.412 1.00 1.73 H new ATOM 1817 N GLU A 137 11.007 3.513 -2.624 1.00 0.57 N ATOM 1818 CA GLU A 137 10.502 3.531 -1.256 1.00 0.51 C ATOM 1819 C GLU A 137 11.203 4.601 -0.430 1.00 0.52 C ATOM 1820 O GLU A 137 10.573 5.301 0.362 1.00 0.53 O ATOM 1821 CB GLU A 137 10.689 2.161 -0.600 1.00 0.52 C ATOM 1822 CG GLU A 137 10.194 2.098 0.835 1.00 1.16 C ATOM 1823 CD GLU A 137 11.156 1.369 1.752 1.00 1.87 C ATOM 1824 OE1 GLU A 137 11.395 0.165 1.527 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.672 2.004 2.696 1.00 2.45 O ATOM 0 H GLU A 137 11.471 2.645 -2.891 1.00 0.57 H new ATOM 0 HA GLU A 137 9.438 3.766 -1.294 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.162 1.411 -1.190 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.747 1.899 -0.622 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.040 3.111 1.207 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.225 1.599 0.860 1.00 1.16 H new ATOM 1832 N THR A 138 12.509 4.719 -0.620 1.00 0.57 N ATOM 1833 CA THR A 138 13.294 5.701 0.109 1.00 0.67 C ATOM 1834 C THR A 138 12.850 7.122 -0.234 1.00 0.69 C ATOM 1835 O THR A 138 13.026 8.044 0.562 1.00 0.77 O ATOM 1836 CB THR A 138 14.781 5.525 -0.205 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.256 4.288 0.298 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.647 6.619 0.375 1.00 1.10 C ATOM 0 H THR A 138 13.046 4.147 -1.272 1.00 0.57 H new ATOM 0 HA THR A 138 13.132 5.541 1.175 1.00 0.67 H new ATOM 0 HB THR A 138 14.854 5.564 -1.292 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.062 3.576 -0.347 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.689 6.434 0.116 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.337 7.582 -0.031 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.540 6.631 1.460 1.00 1.10 H new ATOM 1843 N GLN A 139 12.282 7.297 -1.424 1.00 0.70 N ATOM 1844 CA GLN A 139 11.830 8.613 -1.859 1.00 0.79 C ATOM 1845 C GLN A 139 10.481 8.974 -1.246 1.00 0.67 C ATOM 1846 O GLN A 139 10.236 10.132 -0.910 1.00 0.67 O ATOM 1847 CB GLN A 139 11.742 8.673 -3.384 1.00 0.92 C ATOM 1848 CG GLN A 139 11.510 10.077 -3.916 1.00 1.04 C ATOM 1849 CD GLN A 139 11.889 10.219 -5.377 1.00 1.29 C ATOM 1850 OE1 GLN A 139 12.645 9.411 -5.917 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.362 11.253 -6.023 1.00 1.28 N ATOM 0 H GLN A 139 12.125 6.549 -2.099 1.00 0.70 H new ATOM 0 HA GLN A 139 12.564 9.341 -1.514 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.664 8.278 -3.810 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.932 8.026 -3.720 1.00 0.92 H new ATOM 0 HG2 GLN A 139 10.460 10.340 -3.790 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.089 10.786 -3.324 1.00 1.04 H new ATOM 0 HE21 GLN A 139 10.740 11.897 -5.534 1.00 1.28 H new ATOM 0 HE22 GLN A 139 11.579 11.403 -7.008 1.00 1.28 H new ATOM 1858 N ILE A 140 9.607 7.987 -1.095 1.00 0.60 N ATOM 1859 CA ILE A 140 8.292 8.234 -0.510 1.00 0.52 C ATOM 1860 C ILE A 140 8.384 8.228 1.010 1.00 0.47 C ATOM 1861 O ILE A 140 7.742 9.031 1.687 1.00 0.48 O ATOM 1862 CB ILE A 140 7.227 7.197 -0.955 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.685 6.417 -2.193 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.901 7.894 -1.225 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.610 5.526 -2.783 1.00 1.12 C ATOM 0 H ILE A 140 9.780 7.019 -1.365 1.00 0.60 H new ATOM 0 HA ILE A 140 7.973 9.212 -0.871 1.00 0.52 H new ATOM 0 HB ILE A 140 7.095 6.480 -0.145 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.018 7.123 -2.954 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.547 5.805 -1.928 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.160 7.158 -1.537 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.559 8.391 -0.317 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.033 8.633 -2.015 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.006 5.006 -3.655 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.293 4.796 -2.038 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.756 6.134 -3.080 1.00 1.12 H new ATOM 1869 N MET A 141 9.187 7.312 1.538 1.00 0.47 N ATOM 1870 CA MET A 141 9.371 7.188 2.979 1.00 0.51 C ATOM 1871 C MET A 141 10.463 8.126 3.493 1.00 0.62 C ATOM 1872 O MET A 141 10.236 8.908 4.415 1.00 0.71 O ATOM 1873 CB MET A 141 9.715 5.743 3.340 1.00 0.51 C ATOM 1874 CG MET A 141 8.659 4.742 2.901 1.00 0.53 C ATOM 1875 SD MET A 141 7.064 5.029 3.689 1.00 1.02 S ATOM 1876 CE MET A 141 6.161 5.815 2.358 1.00 0.44 C ATOM 0 H MET A 141 9.723 6.642 0.987 1.00 0.47 H new ATOM 0 HA MET A 141 8.434 7.472 3.458 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.668 5.479 2.881 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.849 5.668 4.419 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.540 4.795 1.819 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.000 3.733 3.135 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.501 6.579 2.768 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.864 6.277 1.664 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.568 5.068 1.830 1.00 0.44 H new ATOM 1886 N GLN A 142 11.654 8.027 2.906 1.00 0.66 N ATOM 1887 CA GLN A 142 12.786 8.852 3.323 1.00 0.79 C ATOM 1888 C GLN A 142 12.804 10.206 2.615 1.00 0.80 C ATOM 1889 O GLN A 142 13.474 11.136 3.065 1.00 0.85 O ATOM 1890 CB GLN A 142 14.101 8.111 3.066 1.00 0.90 C ATOM 1891 CG GLN A 142 15.043 8.120 4.259 1.00 1.34 C ATOM 1892 CD GLN A 142 16.333 7.370 3.988 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.489 6.216 4.389 1.00 1.64 O ATOM 1894 NE2 GLN A 142 17.266 8.024 3.307 1.00 1.85 N ATOM 0 H GLN A 142 11.860 7.385 2.141 1.00 0.66 H new ATOM 0 HA GLN A 142 12.674 9.041 4.391 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.880 7.079 2.795 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.604 8.565 2.212 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.275 9.151 4.526 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.541 7.674 5.117 1.00 1.34 H new ATOM 0 HE21 GLN A 142 17.094 8.979 2.994 1.00 1.85 H new ATOM 0 HE22 GLN A 142 18.155 7.571 3.096 1.00 1.85 H new ATOM 1901 N GLY A 143 12.079 10.316 1.506 1.00 0.79 N ATOM 1902 CA GLY A 143 12.050 11.565 0.767 1.00 0.84 C ATOM 1903 C GLY A 143 10.955 12.509 1.235 1.00 0.81 C ATOM 1904 O GLY A 143 10.512 13.374 0.480 1.00 1.05 O ATOM 0 H GLY A 143 11.514 9.566 1.107 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.016 12.061 0.865 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.908 11.350 -0.292 1.00 0.84 H new ATOM 1908 N LEU A 144 10.518 12.346 2.480 1.00 0.75 N ATOM 1909 CA LEU A 144 9.473 13.195 3.037 1.00 0.72 C ATOM 1910 C LEU A 144 9.773 13.551 4.490 1.00 0.87 C ATOM 1911 O LEU A 144 9.642 14.705 4.897 1.00 1.01 O ATOM 1912 CB LEU A 144 8.115 12.498 2.940 1.00 0.62 C ATOM 1913 CG LEU A 144 7.315 12.818 1.672 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.068 11.555 0.863 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.997 13.491 2.026 1.00 0.81 C ATOM 0 H LEU A 144 10.871 11.635 3.120 1.00 0.75 H new ATOM 0 HA LEU A 144 9.443 14.117 2.457 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.271 11.420 2.991 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.518 12.775 3.809 1.00 0.62 H new ATOM 0 HG LEU A 144 7.900 13.507 1.063 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.499 11.802 -0.033 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.023 11.114 0.576 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.505 10.842 1.465 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.444 13.710 1.113 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.407 12.826 2.657 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.195 14.419 2.562 1.00 0.81 H new ATOM 1921 N GLY A 145 10.172 12.551 5.267 1.00 0.91 N ATOM 1922 CA GLY A 145 10.480 12.777 6.666 1.00 1.11 C ATOM 1923 C GLY A 145 9.255 12.660 7.551 1.00 1.11 C ATOM 1924 O GLY A 145 8.991 13.536 8.375 1.00 1.24 O ATOM 0 H GLY A 145 10.288 11.587 4.953 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.231 12.057 6.991 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.917 13.768 6.784 1.00 1.11 H new ATOM 1928 N PHE A 146 8.506 11.576 7.379 1.00 1.15 N ATOM 1929 CA PHE A 146 7.300 11.346 8.166 1.00 1.25 C ATOM 1930 C PHE A 146 7.613 11.341 9.660 1.00 1.47 C ATOM 1931 O PHE A 146 6.950 12.026 10.436 1.00 99.99 O ATOM 1932 CB PHE A 146 6.651 10.020 7.767 1.00 1.63 C ATOM 1933 CG PHE A 146 6.260 9.958 6.318 1.00 1.09 C ATOM 1934 CD1 PHE A 146 5.575 11.007 5.726 1.00 1.15 C ATOM 1935 CD2 PHE A 146 6.574 8.848 5.550 1.00 1.74 C ATOM 1936 CE1 PHE A 146 5.213 10.951 4.394 1.00 1.15 C ATOM 1937 CE2 PHE A 146 6.214 8.788 4.217 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.533 9.840 3.638 1.00 0.93 C ATOM 0 H PHE A 146 8.713 10.842 6.701 1.00 1.15 H new ATOM 0 HA PHE A 146 6.605 12.161 7.962 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.343 9.206 7.984 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.765 9.858 8.382 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.321 11.878 6.312 1.00 1.15 H new ATOM 0 HD2 PHE A 146 7.106 8.021 5.998 1.00 1.74 H new ATOM 0 HE1 PHE A 146 4.680 11.775 3.944 1.00 1.15 H new ATOM 0 HE2 PHE A 146 6.465 7.918 3.628 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.251 9.795 2.596 1.00 0.93 H new