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 -157:sc= -6.76! (180deg=-9.56!) USER MOD Set 1.2: A 114 HIS : no HD1:sc= -4.48 K(o=-11,f=-18!) USER MOD Set 2.1: A 100 GLN : amide:sc= -2.98 K(o=-8.9,f=-12!) USER MOD Set 2.2: A 107 HIS : no HE2:sc= -5.94! C(o=-8.9!,f=-10!) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0.0428 USER MOD Set 3.2: A 66 ASN : amide:sc= -0.479 K(o=-0.44,f=-5.9!) USER MOD Set 4.1: A 23 GLN : amide:sc= -0.335 K(o=-2.3,f=-5.8!) USER MOD Set 4.2: A 105 MET CE :methyl 160:sc= -1.95 (180deg=-2.75!) USER MOD Set 5.1: A 12 THR OG1 : rot -121:sc= 1.2 USER MOD Set 5.2: A 14 ASN :FLIP amide:sc= -10.7! C(o=-11!,f=-9.5!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.072) USER MOD Single : A 20 THR OG1 : rot 20:sc= 0.0136 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -90:sc= -0.76 USER MOD Single : A 33 GLN : amide:sc= -2.09 X(o=-2.1,f=-1.7) USER MOD Single : A 37 ASN : amide:sc= -4.68 K(o=-4.7,f=-11!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 44:sc= -0.618! USER MOD Single : A 51 SER OG : rot -80:sc= 0.348 USER MOD Single : A 52 HIS : no HD1:sc= -8.61! C(o=-8.6!,f=-8.4!) USER MOD Single : A 55 ASN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -10:sc= 1.55 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -0.0178 (180deg=-0.0211) USER MOD Single : A 69 SER OG : rot 109:sc= -3.23! USER MOD Single : A 74 CYS SG : rot 61:sc= 0.0665 USER MOD Single : A 89 CYS SG : rot 170:sc= -1.73! USER MOD Single : A 91 GLN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 98 SER OG : rot -15:sc= -0.188 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HE2:sc= -0.0594 F(o=-0.59,f=-0.059) USER MOD Single : A 116 SER OG : rot 152:sc= -4.81! USER MOD Single : A 118 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.026) USER MOD Single : A 122 TYR OH : rot 138:sc= -2.28! USER MOD Single : A 124 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.3!) USER MOD Single : A 133 MET CE :methyl -151:sc= -5.01 (180deg=-9.45!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 60:sc= 1.06 USER MOD Single : A 139 GLN : amide:sc= -6.77! C(o=-6.8!,f=-15!) USER MOD Single : A 141 MET CE :methyl -152:sc= -8.08! (180deg=-10.3!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 7.784 4.411 -13.825 1.00 1.94 N ATOM 2 CA SER A 3 6.310 4.223 -13.804 1.00 1.63 C ATOM 3 C SER A 3 5.801 4.024 -12.379 1.00 1.31 C ATOM 4 O SER A 3 5.363 2.934 -12.011 1.00 1.66 O ATOM 5 CB SER A 3 5.960 3.007 -14.666 1.00 1.81 C ATOM 6 OG SER A 3 6.009 3.328 -16.045 1.00 2.13 O ATOM 0 HA SER A 3 5.829 5.116 -14.203 1.00 1.63 H new ATOM 0 HB2 SER A 3 6.655 2.195 -14.454 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.963 2.649 -14.408 1.00 1.81 H new ATOM 0 HG SER A 3 5.783 2.534 -16.574 1.00 2.13 H new ATOM 12 N VAL A 4 5.863 5.085 -11.581 1.00 1.30 N ATOM 13 CA VAL A 4 5.410 5.027 -10.196 1.00 1.06 C ATOM 14 C VAL A 4 3.938 5.412 -10.084 1.00 0.93 C ATOM 15 O VAL A 4 3.538 6.499 -10.500 1.00 1.44 O ATOM 16 CB VAL A 4 6.250 5.950 -9.290 1.00 1.68 C ATOM 17 CG1 VAL A 4 6.091 7.407 -9.703 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.870 5.757 -7.829 1.00 2.29 C ATOM 0 H VAL A 4 6.222 5.995 -11.870 1.00 1.30 H new ATOM 0 HA VAL A 4 5.537 3.997 -9.862 1.00 1.06 H new ATOM 0 HB VAL A 4 7.299 5.680 -9.408 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.693 8.038 -9.049 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.423 7.531 -10.734 1.00 1.82 H new ATOM 0 HG13 VAL A 4 5.043 7.696 -9.622 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.474 6.417 -7.206 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.815 5.994 -7.693 1.00 2.29 H new ATOM 0 HG23 VAL A 4 6.049 4.721 -7.540 1.00 2.29 H new ATOM 22 N LEU A 5 3.134 4.512 -9.522 1.00 0.94 N ATOM 23 CA LEU A 5 1.708 4.763 -9.364 1.00 1.34 C ATOM 24 C LEU A 5 1.133 3.989 -8.180 1.00 1.09 C ATOM 25 O LEU A 5 1.498 2.838 -7.935 1.00 1.34 O ATOM 26 CB LEU A 5 0.961 4.389 -10.647 1.00 2.05 C ATOM 27 CG LEU A 5 0.037 5.477 -11.200 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.158 5.566 -12.713 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.405 5.207 -10.795 1.00 3.33 C ATOM 0 H LEU A 5 3.446 3.607 -9.171 1.00 0.94 H new ATOM 0 HA LEU A 5 1.576 5.827 -9.167 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.692 4.131 -11.413 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.369 3.494 -10.457 1.00 2.05 H new ATOM 0 HG LEU A 5 0.342 6.434 -10.776 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -0.507 6.345 -13.086 1.00 3.92 H new ATOM 0 HD12 LEU A 5 1.186 5.807 -12.982 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.119 4.610 -13.157 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.048 5.990 -11.196 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.719 4.241 -11.190 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.482 5.196 -9.708 1.00 3.33 H new ATOM 35 N VAL A 6 0.219 4.631 -7.458 1.00 0.88 N ATOM 36 CA VAL A 6 -0.426 4.016 -6.306 1.00 0.75 C ATOM 37 C VAL A 6 -1.911 4.365 -6.280 1.00 0.75 C ATOM 38 O VAL A 6 -2.285 5.530 -6.414 1.00 1.03 O ATOM 39 CB VAL A 6 0.229 4.459 -4.984 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.111 5.964 -4.801 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.389 3.722 -3.806 1.00 1.02 C ATOM 0 H VAL A 6 -0.092 5.583 -7.653 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.305 2.937 -6.403 1.00 0.75 H new ATOM 0 HB VAL A 6 1.288 4.206 -5.027 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.580 6.254 -3.861 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.609 6.471 -5.627 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.941 6.247 -4.784 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.087 4.049 -2.882 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.456 3.939 -3.761 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.242 2.649 -3.930 1.00 1.02 H new ATOM 45 N ASP A 7 -2.756 3.351 -6.123 1.00 0.72 N ATOM 46 CA ASP A 7 -4.200 3.564 -6.101 1.00 0.83 C ATOM 47 C ASP A 7 -4.758 3.516 -4.681 1.00 0.75 C ATOM 48 O ASP A 7 -4.235 2.813 -3.816 1.00 0.99 O ATOM 49 CB ASP A 7 -4.901 2.519 -6.969 1.00 1.02 C ATOM 50 CG ASP A 7 -4.872 2.877 -8.442 1.00 1.78 C ATOM 51 OD1 ASP A 7 -3.855 2.585 -9.105 1.00 2.33 O ATOM 52 OD2 ASP A 7 -5.869 3.448 -8.934 1.00 2.52 O ATOM 0 H ASP A 7 -2.469 2.379 -6.010 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.391 4.559 -6.503 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.423 1.550 -6.824 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.936 2.415 -6.643 1.00 1.02 H new ATOM 57 N LEU A 8 -5.833 4.267 -4.458 1.00 0.63 N ATOM 58 CA LEU A 8 -6.492 4.320 -3.156 1.00 0.74 C ATOM 59 C LEU A 8 -7.941 3.861 -3.292 1.00 0.59 C ATOM 60 O LEU A 8 -8.550 4.029 -4.348 1.00 0.79 O ATOM 61 CB LEU A 8 -6.450 5.747 -2.595 1.00 1.20 C ATOM 62 CG LEU A 8 -5.098 6.195 -2.025 1.00 0.83 C ATOM 63 CD1 LEU A 8 -4.889 5.618 -0.635 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.959 5.793 -2.950 1.00 1.52 C ATOM 0 H LEU A 8 -6.270 4.853 -5.170 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.966 3.657 -2.469 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -6.737 6.438 -3.387 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -7.201 5.832 -1.810 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.104 7.282 -1.950 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -3.925 5.946 -0.246 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -5.684 5.964 0.026 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -4.908 4.529 -0.686 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -3.011 6.122 -2.524 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.949 4.709 -3.065 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -4.100 6.260 -3.925 1.00 1.52 H new ATOM 70 N GLN A 9 -8.497 3.274 -2.233 1.00 0.65 N ATOM 71 CA GLN A 9 -9.876 2.799 -2.287 1.00 0.80 C ATOM 72 C GLN A 9 -10.567 2.853 -0.927 1.00 0.79 C ATOM 73 O GLN A 9 -10.505 1.900 -0.151 1.00 0.81 O ATOM 74 CB GLN A 9 -9.920 1.370 -2.832 1.00 1.03 C ATOM 75 CG GLN A 9 -11.172 1.065 -3.637 1.00 1.27 C ATOM 76 CD GLN A 9 -10.923 1.085 -5.131 1.00 1.82 C ATOM 77 OE1 GLN A 9 -11.615 1.777 -5.878 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.931 0.324 -5.577 1.00 2.59 N ATOM 0 H GLN A 9 -8.023 3.118 -1.343 1.00 0.65 H new ATOM 0 HA GLN A 9 -10.417 3.469 -2.955 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -9.045 1.202 -3.459 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.854 0.670 -1.999 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -11.555 0.086 -3.349 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -11.944 1.794 -3.391 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -9.382 -0.234 -4.923 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.717 0.297 -6.574 1.00 2.59 H new ATOM 85 N ILE A 10 -11.255 3.962 -0.663 1.00 0.83 N ATOM 86 CA ILE A 10 -11.992 4.128 0.584 1.00 0.86 C ATOM 87 C ILE A 10 -13.356 3.447 0.460 1.00 1.02 C ATOM 88 O ILE A 10 -13.860 3.268 -0.649 1.00 1.23 O ATOM 89 CB ILE A 10 -12.165 5.631 0.935 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.634 5.918 2.347 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.621 6.072 0.803 1.00 1.28 C ATOM 92 CD1 ILE A 10 -12.572 5.494 3.455 1.00 1.19 C ATOM 0 H ILE A 10 -11.316 4.758 -1.297 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.426 3.663 1.392 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.581 6.210 0.220 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -10.680 5.406 2.476 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.438 6.986 2.440 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.705 7.129 1.056 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.957 5.916 -0.222 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.242 5.486 1.481 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.125 5.730 4.421 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -13.519 6.025 3.354 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -12.750 4.420 3.391 1.00 1.19 H new ATOM 96 N ALA A 11 -13.951 3.051 1.583 1.00 0.97 N ATOM 97 CA ALA A 11 -15.245 2.379 1.537 1.00 1.15 C ATOM 98 C ALA A 11 -16.078 2.609 2.797 1.00 1.15 C ATOM 99 O ALA A 11 -17.291 2.802 2.717 1.00 1.32 O ATOM 100 CB ALA A 11 -15.046 0.889 1.297 1.00 1.30 C ATOM 0 H ALA A 11 -13.566 3.181 2.519 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.805 2.815 0.709 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -16.016 0.393 1.264 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -14.529 0.739 0.349 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -14.450 0.467 2.106 1.00 1.30 H new ATOM 106 N THR A 12 -15.434 2.570 3.958 1.00 1.10 N ATOM 107 CA THR A 12 -16.142 2.756 5.222 1.00 1.29 C ATOM 108 C THR A 12 -16.131 4.214 5.673 1.00 1.72 C ATOM 109 O THR A 12 -15.241 4.984 5.311 1.00 2.07 O ATOM 110 CB THR A 12 -15.528 1.872 6.309 1.00 1.15 C ATOM 111 OG1 THR A 12 -15.999 2.253 7.590 1.00 1.78 O ATOM 112 CG2 THR A 12 -14.015 1.922 6.344 1.00 1.29 C ATOM 0 H THR A 12 -14.431 2.413 4.052 1.00 1.10 H new ATOM 0 HA THR A 12 -17.180 2.465 5.058 1.00 1.29 H new ATOM 0 HB THR A 12 -15.834 0.856 6.059 1.00 1.15 H new ATOM 0 HG1 THR A 12 -15.240 2.508 8.155 1.00 1.78 H new ATOM 0 HG21 THR A 12 -13.648 1.272 7.138 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.618 1.585 5.387 1.00 1.29 H new ATOM 0 HG23 THR A 12 -13.689 2.945 6.533 1.00 1.29 H new ATOM 117 N GLU A 13 -17.129 4.576 6.481 1.00 2.10 N ATOM 118 CA GLU A 13 -17.253 5.934 7.012 1.00 2.62 C ATOM 119 C GLU A 13 -15.911 6.435 7.527 1.00 2.49 C ATOM 120 O GLU A 13 -15.545 7.589 7.317 1.00 2.85 O ATOM 121 CB GLU A 13 -18.271 5.952 8.151 1.00 3.24 C ATOM 122 CG GLU A 13 -19.714 6.028 7.680 1.00 3.89 C ATOM 123 CD GLU A 13 -20.062 4.936 6.687 1.00 4.72 C ATOM 124 OE1 GLU A 13 -19.527 4.969 5.559 1.00 5.17 O ATOM 125 OE2 GLU A 13 -20.867 4.049 7.038 1.00 5.27 O ATOM 0 H GLU A 13 -17.868 3.942 6.784 1.00 2.10 H new ATOM 0 HA GLU A 13 -17.588 6.589 6.208 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -18.142 5.054 8.756 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -18.064 6.804 8.798 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -20.378 5.955 8.542 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -19.892 7.001 7.222 1.00 3.89 H new ATOM 132 N ASN A 14 -15.194 5.521 8.182 1.00 2.26 N ATOM 133 CA ASN A 14 -13.863 5.758 8.762 1.00 2.51 C ATOM 134 C ASN A 14 -13.445 7.238 8.795 1.00 1.99 C ATOM 135 O ASN A 14 -14.291 8.126 8.868 1.00 1.78 O ATOM 136 CB ASN A 14 -12.846 4.913 7.990 1.00 3.10 C ATOM 137 CG ASN A 14 -12.667 3.546 8.613 1.00 3.79 C ATOM 138 OD1 ASN A 14 -13.776 2.923 9.001 1.00 4.30 O flip ATOM 139 ND2 ASN A 14 -11.548 3.058 8.751 1.00 4.18 N flip ATOM 0 H ASN A 14 -15.528 4.569 8.330 1.00 2.26 H new ATOM 0 HA ASN A 14 -13.900 5.460 9.810 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -13.175 4.802 6.957 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -11.887 5.430 7.965 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -10.725 3.573 8.438 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -11.442 2.138 9.178 1.00 4.18 H new ATOM 144 N ILE A 15 -12.130 7.475 8.797 1.00 2.45 N ATOM 145 CA ILE A 15 -11.543 8.820 8.863 1.00 2.24 C ATOM 146 C ILE A 15 -12.536 9.940 8.584 1.00 1.60 C ATOM 147 O ILE A 15 -13.361 9.864 7.673 1.00 1.92 O ATOM 148 CB ILE A 15 -10.381 8.961 7.860 1.00 3.00 C ATOM 149 CG1 ILE A 15 -10.491 7.893 6.773 1.00 2.89 C ATOM 150 CG2 ILE A 15 -9.045 8.855 8.574 1.00 3.77 C ATOM 151 CD1 ILE A 15 -11.819 7.888 6.045 1.00 3.61 C ATOM 0 H ILE A 15 -11.434 6.731 8.752 1.00 2.45 H new ATOM 0 HA ILE A 15 -11.195 8.924 9.891 1.00 2.24 H new ATOM 0 HB ILE A 15 -10.443 9.944 7.392 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -9.692 8.044 6.048 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -10.332 6.913 7.223 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -8.236 8.957 7.850 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -8.967 9.647 9.319 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -8.971 7.885 9.066 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -11.817 7.102 5.290 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -12.624 7.705 6.757 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -11.973 8.853 5.563 1.00 3.61 H new ATOM 155 N GLU A 16 -12.421 10.990 9.378 1.00 1.45 N ATOM 156 CA GLU A 16 -13.275 12.160 9.244 1.00 1.67 C ATOM 157 C GLU A 16 -13.208 12.719 7.827 1.00 1.94 C ATOM 158 O GLU A 16 -14.138 13.380 7.362 1.00 2.67 O ATOM 159 CB GLU A 16 -12.852 13.230 10.255 1.00 2.11 C ATOM 160 CG GLU A 16 -13.845 13.420 11.391 1.00 3.11 C ATOM 161 CD GLU A 16 -13.485 12.604 12.618 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.317 12.672 13.054 1.00 4.13 O ATOM 163 OE2 GLU A 16 -14.373 11.899 13.142 1.00 4.53 O ATOM 0 H GLU A 16 -11.736 11.057 10.131 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.305 11.864 9.445 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -11.882 12.960 10.673 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -12.722 14.179 9.734 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.887 14.475 11.660 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -14.841 13.138 11.050 1.00 3.11 H new ATOM 170 N GLY A 17 -12.100 12.446 7.142 1.00 1.95 N ATOM 171 CA GLY A 17 -11.929 12.923 5.784 1.00 2.86 C ATOM 172 C GLY A 17 -11.645 11.800 4.808 1.00 2.74 C ATOM 173 O GLY A 17 -11.432 10.658 5.210 1.00 3.16 O ATOM 0 H GLY A 17 -11.318 11.902 7.506 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -12.829 13.453 5.472 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.110 13.642 5.755 1.00 2.86 H new ATOM 177 N LEU A 18 -11.644 12.128 3.523 1.00 2.64 N ATOM 178 CA LEU A 18 -11.387 11.143 2.482 1.00 2.63 C ATOM 179 C LEU A 18 -10.054 11.414 1.790 1.00 2.01 C ATOM 180 O LEU A 18 -9.991 12.181 0.831 1.00 2.22 O ATOM 181 CB LEU A 18 -12.521 11.159 1.451 1.00 3.46 C ATOM 182 CG LEU A 18 -13.117 9.790 1.127 1.00 3.97 C ATOM 183 CD1 LEU A 18 -12.115 8.946 0.354 1.00 4.46 C ATOM 184 CD2 LEU A 18 -13.554 9.082 2.404 1.00 4.91 C ATOM 0 H LEU A 18 -11.819 13.071 3.176 1.00 2.64 H new ATOM 0 HA LEU A 18 -11.338 10.160 2.950 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.317 11.807 1.818 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -12.147 11.604 0.529 1.00 3.46 H new ATOM 0 HG LEU A 18 -13.998 9.933 0.501 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -12.554 7.974 0.131 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -11.856 9.450 -0.577 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -11.215 8.809 0.954 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -13.976 8.109 2.154 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -12.693 8.947 3.058 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -14.306 9.683 2.914 1.00 4.91 H new ATOM 190 N PRO A 19 -8.965 10.784 2.270 1.00 1.58 N ATOM 191 CA PRO A 19 -7.632 10.961 1.688 1.00 1.46 C ATOM 192 C PRO A 19 -7.628 10.732 0.181 1.00 1.48 C ATOM 193 O PRO A 19 -7.372 9.622 -0.288 1.00 2.32 O ATOM 194 CB PRO A 19 -6.791 9.894 2.392 1.00 1.63 C ATOM 195 CG PRO A 19 -7.488 9.655 3.686 1.00 1.84 C ATOM 196 CD PRO A 19 -8.952 9.852 3.412 1.00 1.84 C ATOM 0 HA PRO A 19 -7.258 11.975 1.826 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -6.733 8.981 1.799 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -5.769 10.237 2.551 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -7.292 8.648 4.054 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -7.138 10.348 4.451 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -9.445 8.911 3.168 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -9.470 10.268 4.276 1.00 1.84 H new ATOM 204 N THR A 20 -7.919 11.786 -0.575 1.00 1.19 N ATOM 205 CA THR A 20 -7.954 11.696 -2.028 1.00 1.25 C ATOM 206 C THR A 20 -6.604 11.260 -2.584 1.00 1.21 C ATOM 207 O THR A 20 -5.569 11.839 -2.257 1.00 1.19 O ATOM 208 CB THR A 20 -8.355 13.042 -2.634 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.380 14.031 -2.351 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.688 13.552 -2.129 1.00 2.03 C ATOM 0 H THR A 20 -8.134 12.712 -0.204 1.00 1.19 H new ATOM 0 HA THR A 20 -8.696 10.945 -2.299 1.00 1.25 H new ATOM 0 HB THR A 20 -8.435 12.864 -3.706 1.00 1.39 H new ATOM 0 HG1 THR A 20 -6.535 13.598 -2.111 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.912 14.510 -2.598 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.470 12.834 -2.377 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.643 13.679 -1.047 1.00 2.03 H new ATOM 215 N GLU A 21 -6.626 10.234 -3.430 1.00 1.30 N ATOM 216 CA GLU A 21 -5.407 9.714 -4.041 1.00 1.28 C ATOM 217 C GLU A 21 -4.559 10.841 -4.622 1.00 1.19 C ATOM 218 O GLU A 21 -3.349 10.886 -4.415 1.00 1.10 O ATOM 219 CB GLU A 21 -5.756 8.705 -5.137 1.00 1.44 C ATOM 220 CG GLU A 21 -6.777 9.221 -6.139 1.00 1.56 C ATOM 221 CD GLU A 21 -7.287 8.135 -7.065 1.00 1.94 C ATOM 222 OE1 GLU A 21 -7.279 6.954 -6.656 1.00 2.54 O ATOM 223 OE2 GLU A 21 -7.691 8.463 -8.200 1.00 2.04 O ATOM 0 H GLU A 21 -7.477 9.745 -3.708 1.00 1.30 H new ATOM 0 HA GLU A 21 -4.826 9.216 -3.265 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -4.845 8.430 -5.669 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.142 7.797 -4.673 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.618 9.659 -5.602 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.328 10.017 -6.732 1.00 1.56 H new ATOM 230 N GLU A 22 -5.200 11.753 -5.347 1.00 1.24 N ATOM 231 CA GLU A 22 -4.494 12.879 -5.953 1.00 1.18 C ATOM 232 C GLU A 22 -3.561 13.549 -4.947 1.00 1.05 C ATOM 233 O GLU A 22 -2.364 13.692 -5.197 1.00 0.99 O ATOM 234 CB GLU A 22 -5.495 13.901 -6.498 1.00 1.26 C ATOM 235 CG GLU A 22 -5.055 14.549 -7.801 1.00 1.93 C ATOM 236 CD GLU A 22 -6.211 15.161 -8.568 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.211 14.451 -8.800 1.00 3.23 O ATOM 238 OE2 GLU A 22 -6.116 16.351 -8.935 1.00 2.76 O ATOM 0 H GLU A 22 -6.203 11.735 -5.529 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.891 12.494 -6.776 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.456 13.409 -6.653 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.651 14.678 -5.750 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -4.316 15.322 -7.587 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -4.564 13.803 -8.426 1.00 1.93 H new ATOM 245 N GLN A 23 -4.114 13.948 -3.807 1.00 1.02 N ATOM 246 CA GLN A 23 -3.328 14.595 -2.764 1.00 0.93 C ATOM 247 C GLN A 23 -2.275 13.641 -2.211 1.00 0.82 C ATOM 248 O GLN A 23 -1.078 13.841 -2.412 1.00 0.77 O ATOM 249 CB GLN A 23 -4.234 15.083 -1.631 1.00 0.99 C ATOM 250 CG GLN A 23 -3.769 16.388 -1.004 1.00 0.97 C ATOM 251 CD GLN A 23 -3.814 16.362 0.511 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.198 15.362 1.117 1.00 2.08 O ATOM 253 NE2 GLN A 23 -3.420 17.469 1.132 1.00 1.09 N ATOM 0 H GLN A 23 -5.102 13.835 -3.582 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.824 15.454 -3.207 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.246 15.214 -2.016 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.283 14.315 -0.859 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -2.750 16.599 -1.329 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -4.395 17.203 -1.367 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.109 18.275 0.590 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -3.428 17.513 2.151 1.00 1.09 H new ATOM 260 N ILE A 24 -2.730 12.600 -1.519 1.00 0.83 N ATOM 261 CA ILE A 24 -1.830 11.608 -0.935 1.00 0.74 C ATOM 262 C ILE A 24 -0.759 11.179 -1.934 1.00 0.69 C ATOM 263 O ILE A 24 0.440 11.330 -1.685 1.00 0.67 O ATOM 264 CB ILE A 24 -2.601 10.357 -0.465 1.00 0.82 C ATOM 265 CG1 ILE A 24 -3.793 10.752 0.412 1.00 1.01 C ATOM 266 CG2 ILE A 24 -1.673 9.416 0.291 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.429 11.676 1.553 1.00 1.43 C ATOM 0 H ILE A 24 -3.719 12.421 -1.348 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.355 12.082 -0.076 1.00 0.74 H new ATOM 0 HB ILE A 24 -2.982 9.838 -1.345 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.546 11.236 -0.210 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.249 9.849 0.819 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.231 8.538 0.616 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -0.858 9.106 -0.363 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.265 9.929 1.162 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.323 11.912 2.130 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -2.700 11.187 2.199 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.001 12.596 1.154 1.00 1.43 H new ATOM 271 N VAL A 25 -1.203 10.643 -3.065 1.00 0.77 N ATOM 272 CA VAL A 25 -0.295 10.187 -4.110 1.00 0.77 C ATOM 273 C VAL A 25 0.661 11.297 -4.535 1.00 0.74 C ATOM 274 O VAL A 25 1.878 11.130 -4.476 1.00 0.73 O ATOM 275 CB VAL A 25 -1.072 9.683 -5.343 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.118 9.213 -6.433 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.032 8.570 -4.949 1.00 1.45 C ATOM 0 H VAL A 25 -2.191 10.513 -3.282 1.00 0.77 H new ATOM 0 HA VAL A 25 0.283 9.362 -3.693 1.00 0.77 H new ATOM 0 HB VAL A 25 -1.654 10.514 -5.742 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -0.691 8.863 -7.292 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.523 10.041 -6.738 1.00 0.85 H new ATOM 0 HG13 VAL A 25 0.498 8.399 -6.051 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -2.572 8.226 -5.831 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -1.470 7.740 -4.521 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -2.742 8.946 -4.212 1.00 1.45 H new ATOM 281 N GLN A 26 0.109 12.428 -4.965 1.00 0.76 N ATOM 282 CA GLN A 26 0.927 13.557 -5.400 1.00 0.77 C ATOM 283 C GLN A 26 1.911 13.975 -4.310 1.00 0.72 C ATOM 284 O GLN A 26 3.120 13.988 -4.522 1.00 0.71 O ATOM 285 CB GLN A 26 0.042 14.744 -5.785 1.00 0.85 C ATOM 286 CG GLN A 26 0.815 15.914 -6.371 1.00 0.94 C ATOM 287 CD GLN A 26 -0.070 17.109 -6.665 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.262 17.977 -5.815 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.615 17.159 -7.875 1.00 2.19 N ATOM 0 H GLN A 26 -0.897 12.587 -5.022 1.00 0.76 H new ATOM 0 HA GLN A 26 1.495 13.239 -6.274 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.702 14.412 -6.509 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.501 15.083 -4.903 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.600 16.211 -5.676 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.307 15.596 -7.290 1.00 0.94 H new ATOM 0 HE21 GLN A 26 -0.429 16.417 -8.549 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -1.220 17.940 -8.130 1.00 2.19 H new ATOM 296 N TRP A 27 1.385 14.319 -3.143 1.00 0.74 N ATOM 297 CA TRP A 27 2.222 14.742 -2.026 1.00 0.76 C ATOM 298 C TRP A 27 3.338 13.726 -1.760 1.00 0.69 C ATOM 299 O TRP A 27 4.521 14.061 -1.824 1.00 0.67 O ATOM 300 CB TRP A 27 1.352 14.968 -0.778 1.00 0.92 C ATOM 301 CG TRP A 27 1.871 14.342 0.484 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.586 13.093 0.956 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.756 14.940 1.438 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.234 12.880 2.147 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.963 13.996 2.463 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.396 16.180 1.525 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.779 14.256 3.561 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.206 16.436 2.616 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.392 15.478 3.621 1.00 0.87 C ATOM 0 H TRP A 27 0.385 14.314 -2.944 1.00 0.74 H new ATOM 0 HA TRP A 27 2.704 15.686 -2.283 1.00 0.76 H new ATOM 0 HB2 TRP A 27 1.248 16.041 -0.616 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.354 14.577 -0.975 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.944 12.377 0.464 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.181 12.029 2.706 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.260 16.924 0.754 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.923 13.519 4.338 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.704 17.391 2.695 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.032 15.708 4.460 1.00 0.87 H new ATOM 320 N ALA A 28 2.958 12.488 -1.460 1.00 0.70 N ATOM 321 CA ALA A 28 3.938 11.443 -1.181 1.00 0.72 C ATOM 322 C ALA A 28 4.585 10.913 -2.461 1.00 0.68 C ATOM 323 O ALA A 28 5.727 11.254 -2.782 1.00 0.73 O ATOM 324 CB ALA A 28 3.285 10.305 -0.410 1.00 0.78 C ATOM 0 H ALA A 28 1.986 12.185 -1.404 1.00 0.70 H new ATOM 0 HA ALA A 28 4.728 11.884 -0.573 1.00 0.72 H new ATOM 0 HB1 ALA A 28 4.025 9.531 -0.207 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.889 10.684 0.532 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.472 9.884 -1.002 1.00 0.78 H new ATOM 330 N THR A 29 3.855 10.073 -3.185 1.00 0.63 N ATOM 331 CA THR A 29 4.366 9.490 -4.423 1.00 0.67 C ATOM 332 C THR A 29 4.910 10.566 -5.357 1.00 0.64 C ATOM 333 O THR A 29 6.000 10.426 -5.911 1.00 0.72 O ATOM 334 CB THR A 29 3.274 8.689 -5.129 1.00 0.69 C ATOM 335 OG1 THR A 29 2.231 8.357 -4.230 1.00 1.02 O ATOM 336 CG2 THR A 29 3.785 7.402 -5.737 1.00 0.74 C ATOM 0 H THR A 29 2.910 9.780 -2.938 1.00 0.63 H new ATOM 0 HA THR A 29 5.184 8.820 -4.161 1.00 0.67 H new ATOM 0 HB THR A 29 2.910 9.334 -5.928 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.425 7.494 -3.808 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.963 6.878 -6.224 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.557 7.628 -6.472 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.204 6.771 -4.953 1.00 0.74 H new ATOM 341 N GLY A 30 4.148 11.642 -5.525 1.00 0.60 N ATOM 342 CA GLY A 30 4.580 12.720 -6.390 1.00 0.64 C ATOM 343 C GLY A 30 5.907 13.302 -5.953 1.00 0.66 C ATOM 344 O GLY A 30 6.729 13.679 -6.785 1.00 0.72 O ATOM 0 H GLY A 30 3.242 11.785 -5.078 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.665 12.352 -7.413 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.824 13.505 -6.395 1.00 0.64 H new ATOM 348 N ALA A 31 6.124 13.365 -4.642 1.00 0.65 N ATOM 349 CA ALA A 31 7.373 13.892 -4.110 1.00 0.73 C ATOM 350 C ALA A 31 8.551 13.044 -4.582 1.00 0.75 C ATOM 351 O ALA A 31 9.690 13.509 -4.617 1.00 0.83 O ATOM 352 CB ALA A 31 7.323 13.941 -2.590 1.00 0.82 C ATOM 0 H ALA A 31 5.455 13.060 -3.935 1.00 0.65 H new ATOM 0 HA ALA A 31 7.509 14.907 -4.482 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.264 14.337 -2.208 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.503 14.585 -2.274 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.167 12.936 -2.199 1.00 0.82 H new ATOM 358 N VAL A 32 8.264 11.793 -4.942 1.00 0.76 N ATOM 359 CA VAL A 32 9.295 10.871 -5.413 1.00 0.87 C ATOM 360 C VAL A 32 9.546 11.019 -6.913 1.00 0.91 C ATOM 361 O VAL A 32 10.646 10.751 -7.397 1.00 1.03 O ATOM 362 CB VAL A 32 8.910 9.409 -5.119 1.00 1.04 C ATOM 363 CG1 VAL A 32 10.058 8.472 -5.465 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.497 9.246 -3.667 1.00 1.23 C ATOM 0 H VAL A 32 7.325 11.395 -4.916 1.00 0.76 H new ATOM 0 HA VAL A 32 10.207 11.126 -4.873 1.00 0.87 H new ATOM 0 HB VAL A 32 8.058 9.146 -5.745 1.00 1.04 H new ATOM 0 HG11 VAL A 32 9.766 7.444 -5.250 1.00 1.07 H new ATOM 0 HG12 VAL A 32 10.299 8.567 -6.524 1.00 1.07 H new ATOM 0 HG13 VAL A 32 10.933 8.733 -4.869 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.229 8.206 -3.480 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.326 9.529 -3.019 1.00 1.23 H new ATOM 0 HG23 VAL A 32 7.639 9.885 -3.459 1.00 1.23 H new ATOM 368 N GLN A 33 8.515 11.430 -7.644 1.00 0.90 N ATOM 369 CA GLN A 33 8.607 11.601 -9.095 1.00 1.04 C ATOM 370 C GLN A 33 9.899 12.307 -9.526 1.00 1.07 C ATOM 371 O GLN A 33 10.636 11.790 -10.365 1.00 1.22 O ATOM 372 CB GLN A 33 7.394 12.379 -9.610 1.00 1.22 C ATOM 373 CG GLN A 33 6.398 11.515 -10.366 1.00 1.37 C ATOM 374 CD GLN A 33 5.030 11.491 -9.712 1.00 1.19 C ATOM 375 OE1 GLN A 33 4.188 12.351 -9.975 1.00 1.67 O ATOM 376 NE2 GLN A 33 4.801 10.504 -8.853 1.00 1.88 N ATOM 0 H GLN A 33 7.599 11.653 -7.255 1.00 0.90 H new ATOM 0 HA GLN A 33 8.623 10.603 -9.533 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.889 12.849 -8.766 1.00 1.22 H new ATOM 0 HB3 GLN A 33 7.737 13.181 -10.263 1.00 1.22 H new ATOM 0 HG2 GLN A 33 6.302 11.886 -11.386 1.00 1.37 H new ATOM 0 HG3 GLN A 33 6.783 10.497 -10.432 1.00 1.37 H new ATOM 0 HE21 GLN A 33 5.527 9.813 -8.665 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.899 10.437 -8.382 1.00 1.88 H new ATOM 383 N PRO A 34 10.186 13.504 -8.975 1.00 1.04 N ATOM 384 CA PRO A 34 11.378 14.280 -9.319 1.00 1.23 C ATOM 385 C PRO A 34 12.614 13.414 -9.557 1.00 1.50 C ATOM 386 O PRO A 34 13.441 13.723 -10.415 1.00 1.84 O ATOM 387 CB PRO A 34 11.585 15.194 -8.101 1.00 1.29 C ATOM 388 CG PRO A 34 10.409 14.970 -7.196 1.00 1.15 C ATOM 389 CD PRO A 34 9.375 14.217 -7.987 1.00 0.96 C ATOM 0 HA PRO A 34 11.239 14.820 -10.256 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.518 14.955 -7.591 1.00 1.29 H new ATOM 0 HB3 PRO A 34 11.647 16.239 -8.406 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.706 14.404 -6.313 1.00 1.15 H new ATOM 0 HG3 PRO A 34 10.007 15.921 -6.845 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.805 13.532 -7.360 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.658 14.888 -8.459 1.00 0.96 H new ATOM 397 N GLU A 35 12.738 12.331 -8.797 1.00 1.43 N ATOM 398 CA GLU A 35 13.877 11.431 -8.941 1.00 1.69 C ATOM 399 C GLU A 35 13.672 10.473 -10.110 1.00 1.95 C ATOM 400 O GLU A 35 14.518 10.372 -10.998 1.00 2.55 O ATOM 401 CB GLU A 35 14.104 10.641 -7.651 1.00 1.58 C ATOM 402 CG GLU A 35 15.069 11.313 -6.689 1.00 2.20 C ATOM 403 CD GLU A 35 16.490 11.346 -7.218 1.00 2.95 C ATOM 404 OE1 GLU A 35 17.046 10.262 -7.494 1.00 3.47 O ATOM 405 OE2 GLU A 35 17.046 12.455 -7.358 1.00 3.53 O ATOM 0 H GLU A 35 12.068 12.056 -8.079 1.00 1.43 H new ATOM 0 HA GLU A 35 14.759 12.038 -9.143 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.147 10.496 -7.150 1.00 1.58 H new ATOM 0 HB3 GLU A 35 14.485 9.651 -7.903 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.733 12.332 -6.496 1.00 2.20 H new ATOM 0 HG3 GLU A 35 15.052 10.785 -5.735 1.00 2.20 H new ATOM 412 N GLY A 36 12.542 9.775 -10.105 1.00 1.77 N ATOM 413 CA GLY A 36 12.246 8.836 -11.172 1.00 2.19 C ATOM 414 C GLY A 36 12.303 7.394 -10.711 1.00 1.74 C ATOM 415 O GLY A 36 13.384 6.831 -10.541 1.00 1.77 O ATOM 0 H GLY A 36 11.826 9.842 -9.382 1.00 1.77 H new ATOM 0 HA2 GLY A 36 11.254 9.047 -11.572 1.00 2.19 H new ATOM 0 HA3 GLY A 36 12.956 8.982 -11.986 1.00 2.19 H new ATOM 419 N ASN A 37 11.135 6.793 -10.511 1.00 2.06 N ATOM 420 CA ASN A 37 11.053 5.406 -10.070 1.00 2.08 C ATOM 421 C ASN A 37 10.015 4.640 -10.884 1.00 1.73 C ATOM 422 O ASN A 37 9.391 5.195 -11.789 1.00 1.94 O ATOM 423 CB ASN A 37 10.703 5.341 -8.582 1.00 3.12 C ATOM 424 CG ASN A 37 11.834 5.834 -7.701 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.668 6.781 -6.931 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.992 5.193 -7.809 1.00 4.34 N ATOM 0 H ASN A 37 10.231 7.246 -10.648 1.00 2.06 H new ATOM 0 HA ASN A 37 12.027 4.942 -10.226 1.00 2.08 H new ATOM 0 HB2 ASN A 37 9.812 5.940 -8.394 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.458 4.313 -8.314 1.00 3.12 H new ATOM 0 HD21 ASN A 37 13.789 5.480 -7.241 1.00 4.34 H new ATOM 0 HD22 ASN A 37 13.085 4.413 -8.460 1.00 4.34 H new ATOM 431 N GLU A 38 9.836 3.363 -10.562 1.00 1.77 N ATOM 432 CA GLU A 38 8.874 2.527 -11.270 1.00 1.76 C ATOM 433 C GLU A 38 8.192 1.550 -10.317 1.00 1.90 C ATOM 434 O GLU A 38 8.831 0.651 -9.772 1.00 2.28 O ATOM 435 CB GLU A 38 9.564 1.757 -12.399 1.00 2.18 C ATOM 436 CG GLU A 38 10.657 2.546 -13.104 1.00 2.12 C ATOM 437 CD GLU A 38 11.345 1.745 -14.192 1.00 2.42 C ATOM 438 OE1 GLU A 38 11.445 0.509 -14.046 1.00 2.81 O ATOM 439 OE2 GLU A 38 11.782 2.355 -15.191 1.00 2.88 O ATOM 0 H GLU A 38 10.343 2.886 -9.817 1.00 1.77 H new ATOM 0 HA GLU A 38 8.113 3.180 -11.697 1.00 1.76 H new ATOM 0 HB2 GLU A 38 9.995 0.842 -11.992 1.00 2.18 H new ATOM 0 HB3 GLU A 38 8.815 1.458 -13.132 1.00 2.18 H new ATOM 0 HG2 GLU A 38 10.226 3.448 -13.539 1.00 2.12 H new ATOM 0 HG3 GLU A 38 11.397 2.868 -12.372 1.00 2.12 H new ATOM 446 N VAL A 39 6.888 1.732 -10.126 1.00 1.79 N ATOM 447 CA VAL A 39 6.111 0.869 -9.242 1.00 2.04 C ATOM 448 C VAL A 39 4.614 1.092 -9.436 1.00 1.58 C ATOM 449 O VAL A 39 4.183 2.175 -9.829 1.00 1.86 O ATOM 450 CB VAL A 39 6.461 1.106 -7.758 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.670 0.277 -7.353 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.704 2.584 -7.488 1.00 3.20 C ATOM 0 H VAL A 39 6.346 2.472 -10.573 1.00 1.79 H new ATOM 0 HA VAL A 39 6.367 -0.157 -9.506 1.00 2.04 H new ATOM 0 HB VAL A 39 5.612 0.788 -7.153 1.00 2.80 H new ATOM 0 HG11 VAL A 39 7.900 0.458 -6.303 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.451 -0.781 -7.499 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.526 0.558 -7.966 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.949 2.726 -6.435 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.532 2.935 -8.104 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.805 3.151 -7.731 1.00 3.20 H new ATOM 456 N GLU A 40 3.827 0.059 -9.152 1.00 1.19 N ATOM 457 CA GLU A 40 2.376 0.137 -9.287 1.00 0.87 C ATOM 458 C GLU A 40 1.696 -0.567 -8.118 1.00 0.72 C ATOM 459 O GLU A 40 1.623 -1.794 -8.081 1.00 0.71 O ATOM 460 CB GLU A 40 1.931 -0.492 -10.609 1.00 0.85 C ATOM 461 CG GLU A 40 0.441 -0.357 -10.874 1.00 0.98 C ATOM 462 CD GLU A 40 -0.069 -1.386 -11.865 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.131 -2.594 -11.623 1.00 2.10 O ATOM 464 OE2 GLU A 40 -0.668 -0.982 -12.884 1.00 2.29 O ATOM 0 H GLU A 40 4.171 -0.844 -8.826 1.00 1.19 H new ATOM 0 HA GLU A 40 2.084 1.187 -9.282 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.481 -0.026 -11.427 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.197 -1.549 -10.607 1.00 0.85 H new ATOM 0 HG2 GLU A 40 -0.103 -0.461 -9.935 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.232 0.643 -11.254 1.00 0.98 H new ATOM 471 N MET A 41 1.215 0.214 -7.155 1.00 0.77 N ATOM 472 CA MET A 41 0.560 -0.350 -5.977 1.00 0.73 C ATOM 473 C MET A 41 -0.916 0.034 -5.914 1.00 0.68 C ATOM 474 O MET A 41 -1.339 1.036 -6.490 1.00 0.72 O ATOM 475 CB MET A 41 1.264 0.111 -4.691 1.00 0.88 C ATOM 476 CG MET A 41 2.580 0.842 -4.923 1.00 1.06 C ATOM 477 SD MET A 41 3.346 1.394 -3.385 1.00 1.42 S ATOM 478 CE MET A 41 4.878 2.093 -3.997 1.00 1.11 C ATOM 0 H MET A 41 1.265 1.233 -7.166 1.00 0.77 H new ATOM 0 HA MET A 41 0.630 -1.435 -6.060 1.00 0.73 H new ATOM 0 HB2 MET A 41 0.591 0.766 -4.137 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.451 -0.759 -4.062 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.269 0.184 -5.452 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.404 1.704 -5.567 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.462 2.477 -3.161 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.449 1.322 -4.515 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.656 2.906 -4.688 1.00 1.11 H new ATOM 488 N THR A 42 -1.691 -0.768 -5.188 1.00 0.81 N ATOM 489 CA THR A 42 -3.118 -0.515 -5.018 1.00 0.79 C ATOM 490 C THR A 42 -3.496 -0.618 -3.543 1.00 0.77 C ATOM 491 O THR A 42 -3.119 -1.571 -2.865 1.00 1.11 O ATOM 492 CB THR A 42 -3.944 -1.504 -5.845 1.00 0.95 C ATOM 493 OG1 THR A 42 -3.119 -2.219 -6.748 1.00 0.97 O ATOM 494 CG2 THR A 42 -5.037 -0.839 -6.653 1.00 1.61 C ATOM 0 H THR A 42 -1.352 -1.601 -4.707 1.00 0.81 H new ATOM 0 HA THR A 42 -3.335 0.493 -5.370 1.00 0.79 H new ATOM 0 HB THR A 42 -4.404 -2.173 -5.118 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.303 -2.507 -6.288 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.585 -1.595 -7.216 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.721 -0.320 -5.982 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.594 -0.122 -7.344 1.00 1.61 H new ATOM 499 N VAL A 43 -4.229 0.372 -3.043 1.00 0.65 N ATOM 500 CA VAL A 43 -4.636 0.382 -1.642 1.00 0.64 C ATOM 501 C VAL A 43 -6.140 0.178 -1.490 1.00 0.58 C ATOM 502 O VAL A 43 -6.942 0.954 -2.018 1.00 0.71 O ATOM 503 CB VAL A 43 -4.237 1.700 -0.952 1.00 0.75 C ATOM 504 CG1 VAL A 43 -4.478 1.613 0.548 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.783 2.039 -1.246 1.00 1.51 C ATOM 0 H VAL A 43 -4.552 1.174 -3.584 1.00 0.65 H new ATOM 0 HA VAL A 43 -4.116 -0.448 -1.163 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.861 2.500 -1.351 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -4.190 2.553 1.018 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -5.534 1.422 0.736 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.882 0.801 0.966 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.520 2.973 -0.750 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -2.141 1.239 -0.877 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -2.645 2.148 -2.322 1.00 1.51 H new ATOM 509 N ARG A 44 -6.514 -0.871 -0.762 1.00 0.55 N ATOM 510 CA ARG A 44 -7.920 -1.185 -0.534 1.00 0.54 C ATOM 511 C ARG A 44 -8.300 -0.992 0.933 1.00 0.57 C ATOM 512 O ARG A 44 -7.752 -1.648 1.822 1.00 0.69 O ATOM 513 CB ARG A 44 -8.219 -2.622 -0.969 1.00 0.61 C ATOM 514 CG ARG A 44 -9.192 -2.716 -2.133 1.00 1.19 C ATOM 515 CD ARG A 44 -9.591 -4.156 -2.412 1.00 1.98 C ATOM 516 NE ARG A 44 -10.233 -4.303 -3.715 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.396 -5.470 -4.335 1.00 3.13 C ATOM 518 NH1 ARG A 44 -9.967 -6.593 -3.773 1.00 3.54 N ATOM 519 NH2 ARG A 44 -10.991 -5.513 -5.520 1.00 3.77 N ATOM 0 H ARG A 44 -5.861 -1.518 -0.320 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.518 -0.498 -1.132 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.285 -3.110 -1.247 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.626 -3.172 -0.121 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -10.082 -2.127 -1.913 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -8.737 -2.284 -3.024 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -8.707 -4.792 -2.370 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.270 -4.502 -1.632 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.577 -3.462 -4.178 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -9.510 -6.565 -2.862 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -10.094 -7.484 -4.252 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -11.323 -4.652 -5.955 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -11.116 -6.407 -5.996 1.00 3.77 H new ATOM 533 N ILE A 45 -9.252 -0.091 1.171 1.00 0.55 N ATOM 534 CA ILE A 45 -9.727 0.196 2.519 1.00 0.61 C ATOM 535 C ILE A 45 -11.073 -0.482 2.766 1.00 0.59 C ATOM 536 O ILE A 45 -12.035 -0.253 2.035 1.00 0.60 O ATOM 537 CB ILE A 45 -9.886 1.717 2.752 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.551 2.440 2.552 1.00 0.59 C ATOM 539 CG2 ILE A 45 -10.429 1.991 4.148 1.00 0.94 C ATOM 540 CD1 ILE A 45 -8.241 2.773 1.108 1.00 0.63 C ATOM 0 H ILE A 45 -9.710 0.455 0.441 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.981 -0.192 3.213 1.00 0.61 H new ATOM 0 HB ILE A 45 -10.598 2.098 2.020 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.558 3.362 3.133 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -7.750 1.818 2.951 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -10.534 3.066 4.293 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -11.402 1.513 4.260 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -9.740 1.590 4.892 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.280 3.283 1.051 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.199 1.854 0.524 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -9.021 3.422 0.709 1.00 0.63 H new ATOM 544 N VAL A 46 -11.135 -1.316 3.799 1.00 0.63 N ATOM 545 CA VAL A 46 -12.365 -2.020 4.133 1.00 0.63 C ATOM 546 C VAL A 46 -12.183 -2.887 5.375 1.00 0.64 C ATOM 547 O VAL A 46 -11.061 -3.245 5.735 1.00 0.68 O ATOM 548 CB VAL A 46 -12.841 -2.905 2.963 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.803 -3.967 2.636 1.00 1.21 C ATOM 550 CG2 VAL A 46 -14.186 -3.542 3.282 1.00 1.52 C ATOM 0 H VAL A 46 -10.349 -1.520 4.417 1.00 0.63 H new ATOM 0 HA VAL A 46 -13.121 -1.261 4.333 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.966 -2.272 2.085 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -12.158 -4.580 1.808 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.866 -3.486 2.355 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.639 -4.597 3.510 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.503 -4.162 2.443 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -14.093 -4.160 4.175 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.926 -2.761 3.456 1.00 1.52 H new ATOM 554 N ASP A 47 -13.293 -3.224 6.025 1.00 0.66 N ATOM 555 CA ASP A 47 -13.255 -4.052 7.225 1.00 0.71 C ATOM 556 C ASP A 47 -12.524 -5.362 6.955 1.00 0.74 C ATOM 557 O ASP A 47 -12.399 -5.789 5.807 1.00 0.81 O ATOM 558 CB ASP A 47 -14.674 -4.337 7.719 1.00 0.75 C ATOM 559 CG ASP A 47 -15.433 -3.069 8.061 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.706 -2.273 7.138 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.753 -2.873 9.253 1.00 2.11 O ATOM 0 H ASP A 47 -14.229 -2.936 5.741 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.714 -3.506 7.998 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.219 -4.888 6.952 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.627 -4.978 8.599 1.00 0.75 H new ATOM 566 N GLU A 48 -12.038 -5.995 8.017 1.00 0.76 N ATOM 567 CA GLU A 48 -11.315 -7.253 7.889 1.00 0.82 C ATOM 568 C GLU A 48 -12.231 -8.364 7.380 1.00 0.79 C ATOM 569 O GLU A 48 -11.813 -9.210 6.591 1.00 0.83 O ATOM 570 CB GLU A 48 -10.698 -7.653 9.232 1.00 0.92 C ATOM 571 CG GLU A 48 -11.670 -7.585 10.398 1.00 1.39 C ATOM 572 CD GLU A 48 -11.249 -6.580 11.452 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.529 -5.376 11.271 1.00 2.30 O ATOM 574 OE2 GLU A 48 -10.639 -6.996 12.460 1.00 1.81 O ATOM 0 H GLU A 48 -12.132 -5.657 8.975 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.516 -7.109 7.161 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -10.309 -8.668 9.154 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -9.849 -7.001 9.440 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -12.660 -7.322 10.026 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -11.753 -8.571 10.855 1.00 1.39 H new ATOM 581 N ALA A 49 -13.479 -8.357 7.836 1.00 0.86 N ATOM 582 CA ALA A 49 -14.447 -9.367 7.424 1.00 0.89 C ATOM 583 C ALA A 49 -14.615 -9.388 5.908 1.00 0.83 C ATOM 584 O ALA A 49 -14.453 -10.428 5.266 1.00 0.80 O ATOM 585 CB ALA A 49 -15.787 -9.119 8.100 1.00 0.99 C ATOM 0 H ALA A 49 -13.844 -7.664 8.490 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.068 -10.341 7.733 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.500 -9.880 7.784 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.663 -9.165 9.182 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.159 -8.134 7.819 1.00 0.99 H new ATOM 591 N GLU A 50 -14.941 -8.232 5.345 1.00 0.87 N ATOM 592 CA GLU A 50 -15.136 -8.101 3.904 1.00 0.88 C ATOM 593 C GLU A 50 -13.937 -8.647 3.134 1.00 0.84 C ATOM 594 O GLU A 50 -14.072 -9.568 2.328 1.00 0.85 O ATOM 595 CB GLU A 50 -15.371 -6.637 3.533 1.00 0.98 C ATOM 596 CG GLU A 50 -16.317 -6.451 2.357 1.00 1.52 C ATOM 597 CD GLU A 50 -17.453 -5.496 2.667 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.205 -4.479 3.347 1.00 1.85 O ATOM 599 OE2 GLU A 50 -18.591 -5.766 2.229 1.00 2.17 O ATOM 0 H GLU A 50 -15.077 -7.366 5.866 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.014 -8.686 3.629 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.774 -6.112 4.399 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.414 -6.173 3.295 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.756 -6.077 1.500 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.729 -7.419 2.070 1.00 1.52 H new ATOM 606 N SER A 51 -12.765 -8.072 3.386 1.00 0.87 N ATOM 607 CA SER A 51 -11.544 -8.502 2.714 1.00 0.92 C ATOM 608 C SER A 51 -11.293 -9.990 2.942 1.00 0.84 C ATOM 609 O SER A 51 -11.245 -10.775 1.994 1.00 0.83 O ATOM 610 CB SER A 51 -10.348 -7.689 3.216 1.00 1.04 C ATOM 611 OG SER A 51 -10.307 -7.663 4.633 1.00 1.90 O ATOM 0 H SER A 51 -12.635 -7.308 4.050 1.00 0.87 H new ATOM 0 HA SER A 51 -11.668 -8.332 1.644 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.424 -8.120 2.830 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.410 -6.671 2.832 1.00 1.04 H new ATOM 0 HG SER A 51 -10.937 -6.991 4.966 1.00 1.90 H new ATOM 617 N HIS A 52 -11.135 -10.372 4.206 1.00 0.86 N ATOM 618 CA HIS A 52 -10.891 -11.766 4.562 1.00 0.86 C ATOM 619 C HIS A 52 -11.836 -12.694 3.809 1.00 0.83 C ATOM 620 O HIS A 52 -11.397 -13.623 3.133 1.00 0.90 O ATOM 621 CB HIS A 52 -11.043 -11.959 6.068 1.00 0.94 C ATOM 622 CG HIS A 52 -10.019 -11.207 6.853 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.895 -10.656 6.278 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.950 -10.909 8.170 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.176 -10.055 7.207 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.794 -10.193 8.366 1.00 1.39 N ATOM 0 H HIS A 52 -11.172 -9.735 5.002 1.00 0.86 H new ATOM 0 HA HIS A 52 -9.870 -12.019 4.276 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.038 -11.635 6.373 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.967 -13.021 6.303 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -10.670 -11.183 8.927 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.241 -9.538 7.047 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -8.467 -9.828 9.260 1.00 1.39 H new ATOM 635 N GLU A 53 -13.130 -12.425 3.908 1.00 0.86 N ATOM 636 CA GLU A 53 -14.121 -13.233 3.213 1.00 0.95 C ATOM 637 C GLU A 53 -13.903 -13.140 1.707 1.00 0.94 C ATOM 638 O GLU A 53 -14.018 -14.132 0.988 1.00 0.95 O ATOM 639 CB GLU A 53 -15.536 -12.770 3.568 1.00 1.10 C ATOM 640 CG GLU A 53 -15.953 -13.126 4.985 1.00 1.68 C ATOM 641 CD GLU A 53 -16.328 -14.586 5.132 1.00 2.38 C ATOM 642 OE1 GLU A 53 -15.886 -15.400 4.293 1.00 3.10 O ATOM 643 OE2 GLU A 53 -17.062 -14.918 6.086 1.00 2.71 O ATOM 0 H GLU A 53 -13.516 -11.659 4.459 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.007 -14.270 3.527 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.599 -11.689 3.440 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.242 -13.216 2.867 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.137 -12.894 5.669 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.800 -12.506 5.277 1.00 1.68 H new ATOM 650 N LEU A 54 -13.578 -11.937 1.242 1.00 0.95 N ATOM 651 CA LEU A 54 -13.335 -11.695 -0.176 1.00 1.00 C ATOM 652 C LEU A 54 -12.228 -12.599 -0.712 1.00 0.89 C ATOM 653 O LEU A 54 -12.307 -13.085 -1.842 1.00 0.93 O ATOM 654 CB LEU A 54 -12.965 -10.225 -0.404 1.00 1.06 C ATOM 655 CG LEU A 54 -12.683 -9.829 -1.858 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.315 -10.326 -2.298 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.771 -10.361 -2.780 1.00 1.24 C ATOM 0 H LEU A 54 -13.477 -11.110 1.831 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.253 -11.925 -0.717 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.777 -9.602 -0.028 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.083 -9.994 0.194 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.684 -8.741 -1.920 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -11.137 -10.033 -3.333 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.547 -9.889 -1.660 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.279 -11.412 -2.217 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -13.552 -10.069 -3.807 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.807 -11.448 -2.711 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.734 -9.947 -2.483 1.00 1.24 H new ATOM 663 N ASN A 55 -11.194 -12.819 0.094 1.00 0.78 N ATOM 664 CA ASN A 55 -10.078 -13.662 -0.329 1.00 0.71 C ATOM 665 C ASN A 55 -10.458 -15.136 -0.294 1.00 0.69 C ATOM 666 O ASN A 55 -10.413 -15.828 -1.311 1.00 0.74 O ATOM 667 CB ASN A 55 -8.835 -13.449 0.549 1.00 0.68 C ATOM 668 CG ASN A 55 -8.823 -12.126 1.297 1.00 1.33 C ATOM 669 OD1 ASN A 55 -9.199 -11.088 0.752 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.378 -12.161 2.553 1.00 1.42 N ATOM 0 H ASN A 55 -11.104 -12.431 1.033 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.841 -13.370 -1.352 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.770 -14.263 1.271 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.946 -13.507 -0.079 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.339 -11.304 3.104 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.077 -13.045 2.963 1.00 1.42 H new ATOM 675 N LEU A 56 -10.804 -15.611 0.893 1.00 0.71 N ATOM 676 CA LEU A 56 -11.164 -17.010 1.090 1.00 0.79 C ATOM 677 C LEU A 56 -12.370 -17.429 0.254 1.00 0.87 C ATOM 678 O LEU A 56 -12.569 -18.617 0.001 1.00 0.97 O ATOM 679 CB LEU A 56 -11.438 -17.277 2.569 1.00 0.84 C ATOM 680 CG LEU A 56 -10.190 -17.505 3.421 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.525 -16.178 3.758 1.00 0.91 C ATOM 682 CD2 LEU A 56 -10.544 -18.261 4.692 1.00 0.92 C ATOM 0 H LEU A 56 -10.844 -15.045 1.741 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.317 -17.608 0.756 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -11.992 -16.433 2.980 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.083 -18.152 2.652 1.00 0.84 H new ATOM 0 HG LEU A 56 -9.486 -18.107 2.847 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.638 -16.359 4.365 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.237 -15.671 2.837 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.223 -15.552 4.314 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -9.644 -18.415 5.287 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.266 -17.684 5.269 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -10.976 -19.227 4.432 1.00 0.92 H new ATOM 688 N THR A 57 -13.184 -16.467 -0.162 1.00 0.93 N ATOM 689 CA THR A 57 -14.371 -16.781 -0.953 1.00 1.09 C ATOM 690 C THR A 57 -14.046 -16.945 -2.437 1.00 1.14 C ATOM 691 O THR A 57 -14.696 -17.726 -3.132 1.00 1.27 O ATOM 692 CB THR A 57 -15.444 -15.701 -0.770 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.690 -16.149 -1.271 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.118 -14.396 -1.463 1.00 1.45 C ATOM 0 H THR A 57 -13.049 -15.475 0.031 1.00 0.93 H new ATOM 0 HA THR A 57 -14.753 -17.734 -0.589 1.00 1.09 H new ATOM 0 HB THR A 57 -15.484 -15.518 0.304 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.364 -15.449 -1.145 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.922 -13.681 -1.289 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.185 -13.996 -1.066 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.012 -14.569 -2.534 1.00 1.45 H new ATOM 699 N TYR A 58 -13.065 -16.196 -2.930 1.00 1.08 N ATOM 700 CA TYR A 58 -12.710 -16.266 -4.346 1.00 1.17 C ATOM 701 C TYR A 58 -11.303 -16.826 -4.589 1.00 1.08 C ATOM 702 O TYR A 58 -10.865 -16.903 -5.738 1.00 1.19 O ATOM 703 CB TYR A 58 -12.852 -14.880 -4.991 1.00 1.25 C ATOM 704 CG TYR A 58 -11.575 -14.062 -5.023 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.748 -13.979 -3.910 1.00 1.67 C ATOM 706 CD2 TYR A 58 -11.200 -13.375 -6.172 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.584 -13.234 -3.940 1.00 2.23 C ATOM 708 CE2 TYR A 58 -10.038 -12.629 -6.209 1.00 1.55 C ATOM 709 CZ TYR A 58 -9.233 -12.562 -5.091 1.00 2.11 C ATOM 710 OH TYR A 58 -8.074 -11.819 -5.125 1.00 2.74 O ATOM 0 H TYR A 58 -12.508 -15.542 -2.381 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.405 -16.965 -4.812 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.213 -15.005 -6.012 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.614 -14.319 -4.450 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.019 -14.505 -3.007 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.827 -13.425 -7.050 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -8.953 -13.179 -3.066 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -9.761 -12.101 -7.109 1.00 1.55 H new ATOM 0 HH TYR A 58 -7.708 -11.742 -4.219 1.00 2.74 H new ATOM 720 N ARG A 59 -10.585 -17.207 -3.532 1.00 0.99 N ATOM 721 CA ARG A 59 -9.234 -17.736 -3.719 1.00 0.99 C ATOM 722 C ARG A 59 -8.781 -18.654 -2.582 1.00 0.90 C ATOM 723 O ARG A 59 -8.006 -19.585 -2.809 1.00 0.97 O ATOM 724 CB ARG A 59 -8.242 -16.579 -3.865 1.00 1.05 C ATOM 725 CG ARG A 59 -6.801 -17.029 -4.052 1.00 1.58 C ATOM 726 CD ARG A 59 -6.094 -17.212 -2.718 1.00 1.65 C ATOM 727 NE ARG A 59 -4.641 -17.146 -2.860 1.00 2.22 N ATOM 728 CZ ARG A 59 -3.785 -17.853 -2.123 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.225 -18.676 -1.178 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.481 -17.734 -2.329 1.00 3.32 N ATOM 0 H ARG A 59 -10.904 -17.162 -2.564 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.258 -18.341 -4.626 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.535 -15.966 -4.717 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.304 -15.945 -2.980 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.781 -17.967 -4.607 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.264 -16.293 -4.651 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.426 -16.442 -2.022 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.374 -18.173 -2.287 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.258 -16.519 -3.568 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.227 -18.771 -1.011 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.561 -19.213 -0.620 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.134 -17.102 -3.051 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -1.824 -18.274 -1.766 1.00 3.32 H new ATOM 744 N GLY A 60 -9.230 -18.385 -1.362 1.00 0.81 N ATOM 745 CA GLY A 60 -8.808 -19.200 -0.234 1.00 0.80 C ATOM 746 C GLY A 60 -7.514 -18.681 0.367 1.00 0.78 C ATOM 747 O GLY A 60 -6.719 -19.444 0.915 1.00 0.88 O ATOM 0 H GLY A 60 -9.872 -17.626 -1.133 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -9.589 -19.205 0.527 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -8.673 -20.232 -0.558 1.00 0.80 H new ATOM 751 N LYS A 61 -7.305 -17.373 0.241 1.00 0.76 N ATOM 752 CA LYS A 61 -6.101 -16.718 0.748 1.00 0.90 C ATOM 753 C LYS A 61 -5.895 -16.973 2.240 1.00 0.95 C ATOM 754 O LYS A 61 -6.505 -17.872 2.819 1.00 1.42 O ATOM 755 CB LYS A 61 -6.171 -15.215 0.473 1.00 1.17 C ATOM 756 CG LYS A 61 -4.834 -14.605 0.077 1.00 1.31 C ATOM 757 CD LYS A 61 -4.953 -13.756 -1.178 1.00 1.00 C ATOM 758 CE LYS A 61 -3.696 -13.839 -2.029 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.810 -12.659 -1.828 1.00 2.13 N ATOM 0 H LYS A 61 -7.962 -16.739 -0.213 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.246 -17.146 0.224 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -6.894 -15.033 -0.322 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.543 -14.708 1.364 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.457 -13.993 0.896 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.106 -15.399 -0.089 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.812 -14.087 -1.762 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.138 -12.718 -0.900 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.150 -14.749 -1.782 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.974 -13.909 -3.081 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.184 -12.551 -2.651 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.391 -11.803 -1.720 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.236 -12.798 -0.972 1.00 2.13 H new ATOM 773 N ASP A 62 -5.006 -16.182 2.839 1.00 1.17 N ATOM 774 CA ASP A 62 -4.671 -16.301 4.255 1.00 1.25 C ATOM 775 C ASP A 62 -5.913 -16.276 5.152 1.00 1.66 C ATOM 776 O ASP A 62 -7.016 -16.603 4.719 1.00 2.50 O ATOM 777 CB ASP A 62 -3.710 -15.176 4.651 1.00 1.84 C ATOM 778 CG ASP A 62 -2.591 -15.660 5.554 1.00 2.50 C ATOM 779 OD1 ASP A 62 -1.622 -16.252 5.032 1.00 3.06 O ATOM 780 OD2 ASP A 62 -2.685 -15.448 6.781 1.00 2.95 O ATOM 0 H ASP A 62 -4.498 -15.441 2.355 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.191 -17.269 4.401 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.281 -14.735 3.751 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.267 -14.388 5.158 1.00 1.84 H new ATOM 785 N ARG A 63 -5.716 -15.896 6.414 1.00 1.71 N ATOM 786 CA ARG A 63 -6.798 -15.836 7.390 1.00 2.49 C ATOM 787 C ARG A 63 -6.805 -14.469 8.076 1.00 2.22 C ATOM 788 O ARG A 63 -6.057 -13.580 7.672 1.00 1.77 O ATOM 789 CB ARG A 63 -6.616 -16.961 8.412 1.00 3.33 C ATOM 790 CG ARG A 63 -7.806 -17.905 8.501 1.00 4.23 C ATOM 791 CD ARG A 63 -7.888 -18.578 9.862 1.00 4.88 C ATOM 792 NE ARG A 63 -9.133 -18.257 10.557 1.00 5.84 N ATOM 793 CZ ARG A 63 -9.528 -18.850 11.681 1.00 6.66 C ATOM 794 NH1 ARG A 63 -8.781 -19.794 12.239 1.00 6.76 N ATOM 795 NH2 ARG A 63 -10.674 -18.499 12.250 1.00 7.66 N ATOM 0 H ARG A 63 -4.806 -15.623 6.785 1.00 1.71 H new ATOM 0 HA ARG A 63 -7.757 -15.968 6.889 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -5.727 -17.535 8.152 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -6.437 -16.523 9.394 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.725 -17.351 8.313 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -7.727 -18.665 7.723 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -7.810 -19.658 9.738 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.041 -18.266 10.473 1.00 4.88 H new ATOM 0 HE ARG A 63 -9.734 -17.536 10.157 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -7.899 -20.069 11.806 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -9.089 -20.245 13.101 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -11.253 -17.774 11.826 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -10.976 -18.954 13.111 1.00 7.66 H new ATOM 809 N PRO A 64 -7.643 -14.264 9.119 1.00 3.04 N ATOM 810 CA PRO A 64 -7.714 -12.984 9.833 1.00 3.30 C ATOM 811 C PRO A 64 -6.348 -12.342 10.029 1.00 2.79 C ATOM 812 O PRO A 64 -5.649 -12.609 11.007 1.00 3.00 O ATOM 813 CB PRO A 64 -8.337 -13.382 11.163 1.00 4.45 C ATOM 814 CG PRO A 64 -9.276 -14.474 10.791 1.00 4.81 C ATOM 815 CD PRO A 64 -8.591 -15.247 9.691 1.00 4.12 C ATOM 0 HA PRO A 64 -8.282 -12.231 9.287 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -7.584 -13.724 11.873 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -8.858 -12.546 11.629 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -9.488 -15.116 11.646 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.230 -14.071 10.450 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.074 -16.125 10.079 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -9.303 -15.600 8.945 1.00 4.12 H new ATOM 823 N THR A 65 -5.977 -11.502 9.072 1.00 2.27 N ATOM 824 CA THR A 65 -4.697 -10.814 9.092 1.00 2.01 C ATOM 825 C THR A 65 -4.883 -9.326 9.387 1.00 1.59 C ATOM 826 O THR A 65 -5.995 -8.871 9.656 1.00 1.81 O ATOM 827 CB THR A 65 -3.996 -11.011 7.742 1.00 2.13 C ATOM 828 OG1 THR A 65 -2.592 -10.842 7.868 1.00 2.47 O ATOM 829 CG2 THR A 65 -4.490 -10.072 6.657 1.00 2.82 C ATOM 0 H THR A 65 -6.555 -11.280 8.262 1.00 2.27 H new ATOM 0 HA THR A 65 -4.080 -11.235 9.885 1.00 2.01 H new ATOM 0 HB THR A 65 -4.239 -12.031 7.443 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.167 -10.974 6.995 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.949 -10.269 5.731 1.00 2.82 H new ATOM 0 HG22 THR A 65 -5.556 -10.231 6.496 1.00 2.82 H new ATOM 0 HG23 THR A 65 -4.320 -9.040 6.964 1.00 2.82 H new ATOM 834 N ASN A 66 -3.791 -8.574 9.320 1.00 1.36 N ATOM 835 CA ASN A 66 -3.833 -7.138 9.566 1.00 1.09 C ATOM 836 C ASN A 66 -3.653 -6.370 8.260 1.00 0.83 C ATOM 837 O ASN A 66 -4.204 -5.283 8.083 1.00 1.09 O ATOM 838 CB ASN A 66 -2.749 -6.734 10.567 1.00 1.37 C ATOM 839 CG ASN A 66 -1.350 -6.992 10.045 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.072 -8.046 9.473 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.459 -6.026 10.240 1.00 1.35 N ATOM 0 H ASN A 66 -2.864 -8.936 9.097 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.807 -6.890 9.988 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -2.855 -5.675 10.804 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -2.894 -7.285 11.496 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.499 -6.142 9.910 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -0.733 -5.168 10.719 1.00 1.35 H new ATOM 846 N VAL A 67 -2.879 -6.949 7.346 1.00 0.71 N ATOM 847 CA VAL A 67 -2.623 -6.332 6.050 1.00 0.79 C ATOM 848 C VAL A 67 -2.453 -7.392 4.968 1.00 0.79 C ATOM 849 O VAL A 67 -1.411 -8.043 4.883 1.00 0.81 O ATOM 850 CB VAL A 67 -1.362 -5.449 6.084 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.608 -4.189 6.901 1.00 1.59 C ATOM 852 CG2 VAL A 67 -0.178 -6.228 6.637 1.00 1.51 C ATOM 0 H VAL A 67 -2.417 -7.848 7.481 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.487 -5.708 5.820 1.00 0.79 H new ATOM 0 HB VAL A 67 -1.127 -5.150 5.063 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.704 -3.580 6.912 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -2.424 -3.620 6.455 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.873 -4.463 7.922 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.704 -5.587 6.653 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.403 -6.561 7.650 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.015 -7.094 6.004 1.00 1.51 H new ATOM 856 N LEU A 68 -3.481 -7.566 4.144 1.00 0.86 N ATOM 857 CA LEU A 68 -3.439 -8.552 3.070 1.00 0.89 C ATOM 858 C LEU A 68 -3.343 -7.876 1.707 1.00 0.81 C ATOM 859 O LEU A 68 -4.178 -7.043 1.356 1.00 0.75 O ATOM 860 CB LEU A 68 -4.676 -9.449 3.118 1.00 0.99 C ATOM 861 CG LEU A 68 -4.743 -10.507 2.019 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.139 -11.818 2.503 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.178 -10.716 1.567 1.00 1.10 C ATOM 0 H LEU A 68 -4.352 -7.038 4.199 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.549 -9.164 3.215 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.708 -9.949 4.086 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.565 -8.822 3.054 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.162 -10.155 1.167 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.195 -12.560 1.707 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.096 -11.659 2.778 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.692 -12.175 3.372 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.206 -11.473 0.784 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.781 -11.046 2.413 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.578 -9.779 1.180 1.00 1.10 H new ATOM 869 N SER A 69 -2.320 -8.240 0.940 1.00 0.96 N ATOM 870 CA SER A 69 -2.118 -7.665 -0.385 1.00 0.97 C ATOM 871 C SER A 69 -2.266 -8.722 -1.475 1.00 0.86 C ATOM 872 O SER A 69 -2.064 -9.913 -1.233 1.00 0.89 O ATOM 873 CB SER A 69 -0.738 -7.009 -0.474 1.00 1.18 C ATOM 874 OG SER A 69 0.253 -7.947 -0.859 1.00 1.85 O ATOM 0 H SER A 69 -1.619 -8.929 1.213 1.00 0.96 H new ATOM 0 HA SER A 69 -2.885 -6.907 -0.541 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.767 -6.191 -1.194 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.476 -6.575 0.491 1.00 1.18 H new ATOM 0 HG SER A 69 0.545 -7.757 -1.775 1.00 1.85 H new ATOM 880 N PHE A 70 -2.620 -8.276 -2.677 1.00 0.81 N ATOM 881 CA PHE A 70 -2.793 -9.179 -3.808 1.00 0.82 C ATOM 882 C PHE A 70 -1.799 -8.854 -4.921 1.00 0.91 C ATOM 883 O PHE A 70 -2.127 -8.140 -5.871 1.00 1.03 O ATOM 884 CB PHE A 70 -4.223 -9.093 -4.346 1.00 0.89 C ATOM 885 CG PHE A 70 -5.252 -9.676 -3.418 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.553 -11.029 -3.457 1.00 1.16 C ATOM 887 CD2 PHE A 70 -5.918 -8.872 -2.508 1.00 1.81 C ATOM 888 CE1 PHE A 70 -6.498 -11.567 -2.605 1.00 1.33 C ATOM 889 CE2 PHE A 70 -6.863 -9.405 -1.653 1.00 2.03 C ATOM 890 CZ PHE A 70 -7.153 -10.754 -1.702 1.00 1.48 C ATOM 0 H PHE A 70 -2.792 -7.294 -2.892 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.604 -10.195 -3.460 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.468 -8.048 -4.536 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.274 -9.612 -5.303 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -5.043 -11.669 -4.161 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -5.696 -7.816 -2.466 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -6.724 -12.622 -2.645 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -7.374 -8.767 -0.947 1.00 2.03 H new ATOM 0 HZ PHE A 70 -7.892 -11.173 -1.034 1.00 1.48 H new ATOM 900 N PRO A 71 -0.563 -9.374 -4.814 1.00 0.95 N ATOM 901 CA PRO A 71 0.483 -9.140 -5.811 1.00 1.11 C ATOM 902 C PRO A 71 0.291 -9.991 -7.063 1.00 1.11 C ATOM 903 O PRO A 71 -0.402 -11.008 -7.032 1.00 1.14 O ATOM 904 CB PRO A 71 1.757 -9.552 -5.078 1.00 1.18 C ATOM 905 CG PRO A 71 1.312 -10.602 -4.119 1.00 1.13 C ATOM 906 CD PRO A 71 -0.090 -10.231 -3.708 1.00 0.95 C ATOM 0 HA PRO A 71 0.489 -8.110 -6.167 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.506 -9.938 -5.770 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.208 -8.706 -4.559 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.333 -11.588 -4.584 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.973 -10.644 -3.253 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.719 -11.113 -3.588 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.101 -9.699 -2.756 1.00 0.95 H new ATOM 914 N PHE A 72 0.911 -9.571 -8.160 1.00 1.22 N ATOM 915 CA PHE A 72 0.811 -10.300 -9.420 1.00 1.28 C ATOM 916 C PHE A 72 1.404 -11.700 -9.280 1.00 1.36 C ATOM 917 O PHE A 72 1.895 -12.071 -8.214 1.00 1.47 O ATOM 918 CB PHE A 72 1.508 -9.520 -10.546 1.00 1.36 C ATOM 919 CG PHE A 72 2.967 -9.849 -10.724 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.797 -10.020 -9.627 1.00 1.38 C ATOM 921 CD2 PHE A 72 3.505 -9.987 -11.993 1.00 1.65 C ATOM 922 CE1 PHE A 72 5.135 -10.325 -9.794 1.00 1.46 C ATOM 923 CE2 PHE A 72 4.842 -10.291 -12.166 1.00 1.83 C ATOM 924 CZ PHE A 72 5.657 -10.460 -11.065 1.00 1.39 C ATOM 0 H PHE A 72 1.488 -8.731 -8.203 1.00 1.22 H new ATOM 0 HA PHE A 72 -0.243 -10.404 -9.678 1.00 1.28 H new ATOM 0 HB2 PHE A 72 0.987 -9.717 -11.483 1.00 1.36 H new ATOM 0 HB3 PHE A 72 1.411 -8.453 -10.345 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.394 -9.914 -8.631 1.00 1.38 H new ATOM 0 HD2 PHE A 72 2.872 -9.855 -12.858 1.00 1.65 H new ATOM 0 HE1 PHE A 72 5.771 -10.457 -8.931 1.00 1.46 H new ATOM 0 HE2 PHE A 72 5.248 -10.396 -13.161 1.00 1.83 H new ATOM 0 HZ PHE A 72 6.702 -10.698 -11.198 1.00 1.39 H new ATOM 934 N GLU A 73 1.356 -12.474 -10.363 1.00 1.56 N ATOM 935 CA GLU A 73 1.890 -13.836 -10.362 1.00 1.67 C ATOM 936 C GLU A 73 3.250 -13.896 -9.668 1.00 1.31 C ATOM 937 O GLU A 73 3.975 -12.903 -9.615 1.00 1.43 O ATOM 938 CB GLU A 73 2.013 -14.357 -11.796 1.00 2.21 C ATOM 939 CG GLU A 73 1.640 -15.825 -11.943 1.00 2.25 C ATOM 940 CD GLU A 73 0.694 -16.073 -13.102 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.128 -15.927 -14.264 1.00 2.89 O ATOM 942 OE2 GLU A 73 -0.479 -16.416 -12.847 1.00 2.62 O ATOM 0 H GLU A 73 0.953 -12.182 -11.253 1.00 1.56 H new ATOM 0 HA GLU A 73 1.196 -14.468 -9.808 1.00 1.67 H new ATOM 0 HB2 GLU A 73 1.373 -13.761 -12.447 1.00 2.21 H new ATOM 0 HB3 GLU A 73 3.038 -14.215 -12.139 1.00 2.21 H new ATOM 0 HG2 GLU A 73 2.546 -16.414 -12.086 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.176 -16.173 -11.020 1.00 2.25 H new ATOM 949 N CYS A 74 3.585 -15.066 -9.131 1.00 1.48 N ATOM 950 CA CYS A 74 4.853 -15.258 -8.433 1.00 1.68 C ATOM 951 C CYS A 74 6.036 -14.818 -9.298 1.00 1.76 C ATOM 952 O CYS A 74 6.257 -15.363 -10.379 1.00 2.31 O ATOM 953 CB CYS A 74 5.019 -16.725 -8.038 1.00 2.63 C ATOM 954 SG CYS A 74 3.603 -17.416 -7.151 1.00 3.95 S ATOM 0 H CYS A 74 2.995 -15.897 -9.166 1.00 1.48 H new ATOM 0 HA CYS A 74 4.838 -14.640 -7.536 1.00 1.68 H new ATOM 0 HB2 CYS A 74 5.193 -17.315 -8.938 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.908 -16.824 -7.415 1.00 2.63 H new ATOM 0 HG CYS A 74 2.547 -17.357 -7.907 1.00 3.95 H new ATOM 960 N PRO A 75 6.817 -13.826 -8.831 1.00 1.68 N ATOM 961 CA PRO A 75 7.976 -13.322 -9.567 1.00 2.01 C ATOM 962 C PRO A 75 9.222 -14.174 -9.345 1.00 2.43 C ATOM 963 O PRO A 75 9.890 -14.056 -8.317 1.00 3.08 O ATOM 964 CB PRO A 75 8.170 -11.932 -8.971 1.00 2.13 C ATOM 965 CG PRO A 75 7.722 -12.068 -7.556 1.00 2.21 C ATOM 966 CD PRO A 75 6.631 -13.112 -7.551 1.00 1.89 C ATOM 0 HA PRO A 75 7.819 -13.331 -10.646 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.212 -11.617 -9.029 1.00 2.13 H new ATOM 0 HB3 PRO A 75 7.581 -11.186 -9.504 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.550 -12.369 -6.914 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.351 -11.117 -7.173 1.00 2.21 H new ATOM 0 HD2 PRO A 75 6.727 -13.786 -6.700 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.643 -12.657 -7.487 1.00 1.89 H new ATOM 974 N ASP A 76 9.530 -15.031 -10.313 1.00 2.55 N ATOM 975 CA ASP A 76 10.699 -15.899 -10.219 1.00 3.28 C ATOM 976 C ASP A 76 11.954 -15.166 -10.686 1.00 3.54 C ATOM 977 O ASP A 76 12.735 -14.672 -9.872 1.00 4.33 O ATOM 978 CB ASP A 76 10.489 -17.166 -11.051 1.00 3.70 C ATOM 979 CG ASP A 76 10.122 -18.364 -10.197 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.020 -18.361 -9.611 1.00 4.70 O ATOM 981 OD2 ASP A 76 10.939 -19.307 -10.115 1.00 4.93 O ATOM 0 H ASP A 76 8.988 -15.143 -11.170 1.00 2.55 H new ATOM 0 HA ASP A 76 10.832 -16.181 -9.175 1.00 3.28 H new ATOM 0 HB2 ASP A 76 9.701 -16.990 -11.783 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.399 -17.386 -11.609 1.00 3.70 H new ATOM 986 N GLU A 77 12.138 -15.097 -11.999 1.00 3.34 N ATOM 987 CA GLU A 77 13.293 -14.421 -12.577 1.00 4.10 C ATOM 988 C GLU A 77 12.853 -13.208 -13.390 1.00 4.12 C ATOM 989 O GLU A 77 13.525 -12.807 -14.340 1.00 4.72 O ATOM 990 CB GLU A 77 14.085 -15.384 -13.463 1.00 4.59 C ATOM 991 CG GLU A 77 15.572 -15.075 -13.519 1.00 5.37 C ATOM 992 CD GLU A 77 16.420 -16.320 -13.696 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.651 -17.028 -12.692 1.00 6.39 O ATOM 994 OE2 GLU A 77 16.851 -16.587 -14.837 1.00 6.84 O ATOM 0 H GLU A 77 11.501 -15.502 -12.685 1.00 3.34 H new ATOM 0 HA GLU A 77 13.933 -14.082 -11.763 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.947 -16.400 -13.094 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.678 -15.353 -14.474 1.00 4.59 H new ATOM 0 HG2 GLU A 77 15.766 -14.388 -14.343 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.868 -14.565 -12.602 1.00 5.37 H new ATOM 1001 N VAL A 78 11.718 -12.629 -13.009 1.00 3.88 N ATOM 1002 CA VAL A 78 11.182 -11.463 -13.698 1.00 4.32 C ATOM 1003 C VAL A 78 11.819 -10.178 -13.181 1.00 4.59 C ATOM 1004 O VAL A 78 12.019 -10.014 -11.977 1.00 4.66 O ATOM 1005 CB VAL A 78 9.652 -11.373 -13.536 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.982 -12.610 -14.109 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.276 -11.186 -12.072 1.00 4.61 C ATOM 0 H VAL A 78 11.151 -12.951 -12.224 1.00 3.88 H new ATOM 0 HA VAL A 78 11.421 -11.579 -14.755 1.00 4.32 H new ATOM 0 HB VAL A 78 9.299 -10.504 -14.091 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.902 -12.529 -13.986 1.00 3.62 H new ATOM 0 HG12 VAL A 78 9.221 -12.695 -15.169 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.342 -13.495 -13.584 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.192 -11.125 -11.980 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.642 -12.033 -11.491 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.725 -10.267 -11.696 1.00 4.61 H new ATOM 1011 N GLU A 79 12.136 -9.269 -14.097 1.00 5.02 N ATOM 1012 CA GLU A 79 12.749 -7.999 -13.729 1.00 5.37 C ATOM 1013 C GLU A 79 11.889 -6.823 -14.181 1.00 4.83 C ATOM 1014 O GLU A 79 12.136 -6.227 -15.229 1.00 5.25 O ATOM 1015 CB GLU A 79 14.149 -7.889 -14.335 1.00 6.47 C ATOM 1016 CG GLU A 79 15.230 -8.549 -13.492 1.00 7.05 C ATOM 1017 CD GLU A 79 16.523 -8.757 -14.257 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.487 -8.714 -15.505 1.00 8.58 O ATOM 1019 OE2 GLU A 79 17.570 -8.961 -13.608 1.00 8.13 O ATOM 0 H GLU A 79 11.979 -9.388 -15.098 1.00 5.02 H new ATOM 0 HA GLU A 79 12.828 -7.966 -12.642 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.144 -8.344 -15.326 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.396 -6.836 -14.469 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.427 -7.934 -12.614 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.867 -9.511 -13.132 1.00 7.05 H new ATOM 1026 N LEU A 80 10.881 -6.493 -13.380 1.00 4.12 N ATOM 1027 CA LEU A 80 9.984 -5.386 -13.694 1.00 3.69 C ATOM 1028 C LEU A 80 9.323 -4.846 -12.428 1.00 3.19 C ATOM 1029 O LEU A 80 9.096 -5.587 -11.472 1.00 2.62 O ATOM 1030 CB LEU A 80 8.914 -5.831 -14.693 1.00 3.48 C ATOM 1031 CG LEU A 80 8.340 -7.227 -14.451 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.905 -7.308 -14.943 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.201 -8.279 -15.132 1.00 3.62 C ATOM 0 H LEU A 80 10.665 -6.976 -12.508 1.00 4.12 H new ATOM 0 HA LEU A 80 10.577 -4.589 -14.142 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.097 -5.110 -14.671 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.340 -5.799 -15.696 1.00 3.48 H new ATOM 0 HG LEU A 80 8.343 -7.421 -13.378 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.514 -8.309 -14.762 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.296 -6.579 -14.409 1.00 4.01 H new ATOM 0 HD13 LEU A 80 6.874 -7.094 -16.011 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.779 -9.268 -14.950 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.229 -8.088 -16.205 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.213 -8.237 -14.730 1.00 3.62 H new ATOM 1039 N PRO A 81 9.005 -3.542 -12.407 1.00 3.80 N ATOM 1040 CA PRO A 81 8.367 -2.900 -11.253 1.00 3.74 C ATOM 1041 C PRO A 81 6.898 -3.287 -11.114 1.00 2.98 C ATOM 1042 O PRO A 81 6.184 -3.415 -12.109 1.00 3.21 O ATOM 1043 CB PRO A 81 8.500 -1.410 -11.565 1.00 4.99 C ATOM 1044 CG PRO A 81 8.535 -1.342 -13.051 1.00 5.53 C ATOM 1045 CD PRO A 81 9.242 -2.587 -13.508 1.00 4.94 C ATOM 0 HA PRO A 81 8.828 -3.197 -10.311 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.661 -0.844 -11.161 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.407 -0.992 -11.127 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.527 -1.293 -13.463 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.061 -0.449 -13.388 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.839 -2.954 -14.452 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.306 -2.410 -13.664 1.00 4.94 H new ATOM 1053 N LEU A 82 6.452 -3.473 -9.874 1.00 2.52 N ATOM 1054 CA LEU A 82 5.065 -3.845 -9.613 1.00 1.87 C ATOM 1055 C LEU A 82 4.806 -3.997 -8.120 1.00 1.58 C ATOM 1056 O LEU A 82 5.660 -4.473 -7.372 1.00 2.06 O ATOM 1057 CB LEU A 82 4.722 -5.155 -10.323 1.00 1.92 C ATOM 1058 CG LEU A 82 5.798 -6.235 -10.227 1.00 1.91 C ATOM 1059 CD1 LEU A 82 5.966 -6.704 -8.791 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.455 -7.406 -11.129 1.00 2.10 C ATOM 0 H LEU A 82 7.028 -3.373 -9.038 1.00 2.52 H new ATOM 0 HA LEU A 82 4.432 -3.045 -9.997 1.00 1.87 H new ATOM 0 HB2 LEU A 82 3.795 -5.547 -9.905 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.532 -4.943 -11.375 1.00 1.92 H new ATOM 0 HG LEU A 82 6.743 -5.805 -10.558 1.00 1.91 H new ATOM 0 HD11 LEU A 82 6.737 -7.473 -8.747 1.00 2.25 H new ATOM 0 HD12 LEU A 82 6.258 -5.861 -8.165 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.023 -7.115 -8.430 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.232 -8.167 -11.049 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.498 -7.831 -10.826 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.388 -7.063 -12.161 1.00 2.10 H new ATOM 1066 N LEU A 83 3.617 -3.594 -7.694 1.00 1.15 N ATOM 1067 CA LEU A 83 3.235 -3.694 -6.291 1.00 1.18 C ATOM 1068 C LEU A 83 1.906 -4.434 -6.123 1.00 1.05 C ATOM 1069 O LEU A 83 1.560 -4.858 -5.020 1.00 1.39 O ATOM 1070 CB LEU A 83 3.154 -2.302 -5.659 1.00 1.20 C ATOM 1071 CG LEU A 83 4.278 -1.970 -4.674 1.00 2.03 C ATOM 1072 CD1 LEU A 83 4.511 -3.128 -3.716 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.556 -1.631 -5.423 1.00 2.48 C ATOM 0 H LEU A 83 2.900 -3.195 -8.299 1.00 1.15 H new ATOM 0 HA LEU A 83 4.004 -4.271 -5.778 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.158 -1.558 -6.455 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.199 -2.210 -5.141 1.00 1.20 H new ATOM 0 HG LEU A 83 3.978 -1.100 -4.090 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.314 -2.872 -3.024 1.00 3.13 H new ATOM 0 HD12 LEU A 83 3.598 -3.325 -3.155 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.789 -4.018 -4.281 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.345 -1.397 -4.709 1.00 2.48 H new ATOM 0 HD22 LEU A 83 5.858 -2.483 -6.032 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.383 -0.769 -6.067 1.00 2.48 H new ATOM 1079 N GLY A 84 1.166 -4.593 -7.219 1.00 0.86 N ATOM 1080 CA GLY A 84 -0.110 -5.287 -7.163 1.00 1.17 C ATOM 1081 C GLY A 84 -1.119 -4.604 -6.256 1.00 1.02 C ATOM 1082 O GLY A 84 -1.011 -3.406 -5.976 1.00 0.95 O ATOM 0 H GLY A 84 1.428 -4.253 -8.145 1.00 0.86 H new ATOM 0 HA2 GLY A 84 -0.523 -5.357 -8.169 1.00 1.17 H new ATOM 0 HA3 GLY A 84 0.052 -6.307 -6.813 1.00 1.17 H new ATOM 1086 N ASP A 85 -2.106 -5.372 -5.798 1.00 1.00 N ATOM 1087 CA ASP A 85 -3.143 -4.841 -4.920 1.00 0.88 C ATOM 1088 C ASP A 85 -2.708 -4.920 -3.461 1.00 0.82 C ATOM 1089 O ASP A 85 -1.833 -5.712 -3.109 1.00 0.93 O ATOM 1090 CB ASP A 85 -4.454 -5.608 -5.121 1.00 0.86 C ATOM 1091 CG ASP A 85 -5.599 -4.698 -5.521 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.617 -4.241 -6.683 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -6.478 -4.443 -4.670 1.00 2.12 O ATOM 0 H ASP A 85 -2.208 -6.362 -6.021 1.00 1.00 H new ATOM 0 HA ASP A 85 -3.304 -3.794 -5.176 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -4.313 -6.369 -5.888 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.712 -6.129 -4.199 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.317 -4.093 -2.616 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.977 -4.075 -1.199 1.00 0.69 C ATOM 1100 C LEU A 86 -4.197 -3.767 -0.333 1.00 0.60 C ATOM 1101 O LEU A 86 -4.519 -2.603 -0.089 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.877 -3.043 -0.939 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.013 -3.312 0.294 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.034 -2.222 0.458 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.881 -3.408 1.537 1.00 1.10 C ATOM 0 H LEU A 86 -4.044 -3.431 -2.887 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.617 -5.068 -0.928 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.229 -2.997 -1.814 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.339 -2.062 -0.833 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.500 -4.264 0.156 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.640 -2.429 1.340 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.674 -2.197 -0.424 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.460 -1.258 0.576 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -1.252 -3.600 2.406 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -2.419 -2.471 1.678 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.596 -4.223 1.420 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.860 -4.817 0.144 1.00 0.56 N ATOM 1112 CA VAL A 87 -6.031 -4.660 1.001 1.00 0.59 C ATOM 1113 C VAL A 87 -5.596 -4.519 2.455 1.00 0.66 C ATOM 1114 O VAL A 87 -4.811 -5.325 2.954 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.992 -5.857 0.875 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.264 -5.610 1.671 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -7.313 -6.132 -0.586 1.00 1.15 C ATOM 0 H VAL A 87 -4.606 -5.786 -0.049 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.557 -3.762 0.678 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.500 -6.738 1.288 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.929 -6.467 1.569 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.014 -5.468 2.722 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.762 -4.717 1.293 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.993 -6.981 -0.656 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.783 -5.253 -1.027 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -6.393 -6.359 -1.124 1.00 1.15 H new ATOM 1121 N ILE A 88 -6.083 -3.484 3.131 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.701 -3.256 4.521 1.00 0.66 C ATOM 1123 C ILE A 88 -6.906 -3.093 5.436 1.00 0.74 C ATOM 1124 O ILE A 88 -7.996 -2.728 4.995 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.807 -2.009 4.651 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.655 -2.083 3.648 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.279 -1.878 6.073 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.429 -0.793 2.891 1.00 1.94 C ATOM 0 H ILE A 88 -6.733 -2.799 2.747 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.149 -4.143 4.832 1.00 0.66 H new ATOM 0 HB ILE A 88 -5.403 -1.124 4.429 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.740 -2.349 4.177 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.855 -2.883 2.935 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.649 -0.992 6.147 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.116 -1.787 6.765 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.693 -2.762 6.326 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.597 -0.919 2.198 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -4.330 -0.535 2.334 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -3.197 0.006 3.595 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.687 -3.356 6.721 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.737 -3.229 7.718 1.00 0.89 C ATOM 1134 C CYS A 89 -7.995 -1.758 8.020 1.00 0.78 C ATOM 1135 O CYS A 89 -7.118 -1.047 8.511 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.350 -3.971 8.998 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.659 -4.026 10.244 1.00 1.32 S ATOM 0 H CYS A 89 -5.787 -3.659 7.094 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.650 -3.674 7.322 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.064 -4.991 8.742 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -6.471 -3.493 9.431 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.321 -4.848 11.193 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.202 -1.308 7.707 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.587 0.082 7.923 1.00 0.91 C ATOM 1145 C ARG A 90 -9.706 0.430 9.408 1.00 0.81 C ATOM 1146 O ARG A 90 -9.980 1.575 9.755 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.912 0.372 7.210 1.00 1.14 C ATOM 1148 CG ARG A 90 -12.046 -0.562 7.609 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.549 -0.268 9.013 1.00 2.56 C ATOM 1150 NE ARG A 90 -14.005 -0.344 9.102 1.00 3.28 N ATOM 1151 CZ ARG A 90 -14.688 -0.179 10.232 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.053 0.074 11.369 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -16.011 -0.267 10.225 1.00 5.12 N ATOM 0 H ARG A 90 -9.936 -1.888 7.300 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.797 0.707 7.507 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -11.209 1.399 7.421 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.757 0.300 6.133 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -12.867 -0.461 6.900 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.703 -1.595 7.554 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -12.106 -0.977 9.712 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.219 0.726 9.315 1.00 2.56 H new ATOM 0 HE ARG A 90 -14.529 -0.535 8.248 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.035 0.143 11.380 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.582 0.199 12.232 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -16.505 -0.461 9.354 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -16.535 -0.141 11.091 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.525 -0.553 10.285 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.644 -0.312 11.720 1.00 0.63 C ATOM 1169 C GLN A 91 -8.282 -0.157 12.403 1.00 0.58 C ATOM 1170 O GLN A 91 -8.163 0.556 13.397 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.422 -1.452 12.379 1.00 0.69 C ATOM 1172 CG GLN A 91 -11.362 -0.990 13.480 1.00 0.83 C ATOM 1173 CD GLN A 91 -12.210 -2.119 14.033 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.871 -2.725 15.049 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -13.320 -2.407 13.364 1.00 1.12 N ATOM 0 H GLN A 91 -9.298 -1.514 10.031 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.181 0.628 11.843 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.999 -1.976 11.616 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -9.715 -2.171 12.794 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -10.780 -0.548 14.288 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.014 -0.207 13.092 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -13.562 -1.878 12.526 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -13.931 -3.157 13.688 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.265 -0.839 11.889 1.00 0.58 N ATOM 1183 CA VAL A 92 -5.932 -0.781 12.491 1.00 0.60 C ATOM 1184 C VAL A 92 -5.168 0.494 12.127 1.00 0.55 C ATOM 1185 O VAL A 92 -4.799 1.278 13.007 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.083 -2.001 12.080 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -3.757 -2.008 12.828 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.848 -3.292 12.327 1.00 1.68 C ATOM 0 H VAL A 92 -7.333 -1.435 11.064 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.096 -0.784 13.569 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.871 -1.929 11.013 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -3.172 -2.876 12.524 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -3.203 -1.098 12.595 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -3.945 -2.054 13.901 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.233 -4.142 12.031 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.093 -3.373 13.386 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -6.767 -3.288 11.741 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.911 0.689 10.838 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.163 1.862 10.385 1.00 0.49 C ATOM 1194 C VAL A 93 -4.893 3.156 10.728 1.00 0.54 C ATOM 1195 O VAL A 93 -4.285 4.111 11.208 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.849 1.809 8.864 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.731 0.372 8.385 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.892 2.559 8.043 1.00 0.69 C ATOM 0 H VAL A 93 -5.205 0.058 10.093 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.214 1.847 10.920 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.891 2.307 8.716 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.511 0.361 7.317 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.927 -0.127 8.926 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.670 -0.151 8.567 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.635 2.498 6.985 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.873 2.112 8.205 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -4.914 3.604 8.351 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.199 3.182 10.486 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.000 4.364 10.782 1.00 0.69 C ATOM 1204 C GLU A 94 -6.912 4.711 12.263 1.00 0.67 C ATOM 1205 O GLU A 94 -6.789 5.879 12.631 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.457 4.136 10.379 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.855 4.860 9.103 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.074 4.383 7.895 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -6.979 4.930 7.643 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -8.556 3.464 7.201 1.00 2.25 O ATOM 0 H GLU A 94 -6.723 2.403 10.088 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.605 5.200 10.205 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.626 3.067 10.248 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.106 4.465 11.191 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.920 4.713 8.924 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.698 5.931 9.233 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.965 3.687 13.110 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.881 3.896 14.551 1.00 0.61 C ATOM 1219 C ARG A 95 -5.484 4.363 14.935 1.00 0.70 C ATOM 1220 O ARG A 95 -5.324 5.281 15.739 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.234 2.614 15.307 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.622 2.851 16.758 1.00 0.87 C ATOM 1223 CD ARG A 95 -6.408 2.832 17.673 1.00 1.58 C ATOM 1224 NE ARG A 95 -6.780 3.014 19.075 1.00 2.18 N ATOM 1225 CZ ARG A 95 -5.921 2.924 20.087 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -4.642 2.654 19.861 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -6.344 3.104 21.332 1.00 3.75 N ATOM 0 H ARG A 95 -7.065 2.712 12.826 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.600 4.667 14.827 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.058 2.116 14.796 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.381 1.936 15.274 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.130 3.811 16.847 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.330 2.085 17.076 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -5.881 1.885 17.557 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -5.717 3.620 17.375 1.00 1.58 H new ATOM 0 HE ARG A 95 -7.755 3.222 19.290 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -4.311 2.514 18.906 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -3.989 2.587 20.642 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -7.326 3.311 21.512 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -5.687 3.035 22.109 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.473 3.734 14.343 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.089 4.098 14.616 1.00 0.86 C ATOM 1243 C GLU A 96 -2.809 5.520 14.139 1.00 0.90 C ATOM 1244 O GLU A 96 -2.216 6.323 14.859 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.135 3.118 13.931 1.00 0.93 C ATOM 1246 CG GLU A 96 -2.041 1.772 14.631 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.613 1.376 14.949 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.310 1.889 14.281 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -0.415 0.553 15.867 1.00 1.89 O ATOM 0 H GLU A 96 -4.587 2.973 13.674 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.927 4.051 15.693 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.464 2.962 12.904 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.141 3.564 13.884 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.618 1.807 15.555 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.494 1.007 14.001 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.248 5.823 12.921 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.054 7.147 12.341 1.00 0.92 C ATOM 1258 C ALA A 97 -3.922 8.189 13.039 1.00 1.00 C ATOM 1259 O ALA A 97 -3.590 9.375 13.059 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.357 7.117 10.850 1.00 0.87 C ATOM 0 H ALA A 97 -3.742 5.167 12.315 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.011 7.430 12.485 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.209 8.111 10.428 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.689 6.410 10.357 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.391 6.808 10.695 1.00 0.87 H new ATOM 1266 N SER A 98 -5.034 7.742 13.611 1.00 0.92 N ATOM 1267 CA SER A 98 -5.944 8.642 14.311 1.00 1.01 C ATOM 1268 C SER A 98 -5.461 8.895 15.735 1.00 1.07 C ATOM 1269 O SER A 98 -5.658 9.978 16.286 1.00 1.18 O ATOM 1270 CB SER A 98 -7.359 8.062 14.332 1.00 0.99 C ATOM 1271 OG SER A 98 -7.418 6.886 15.120 1.00 1.50 O ATOM 0 H SER A 98 -5.327 6.765 13.604 1.00 0.92 H new ATOM 0 HA SER A 98 -5.962 9.592 13.776 1.00 1.01 H new ATOM 0 HB2 SER A 98 -8.053 8.803 14.728 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.678 7.838 13.314 1.00 0.99 H new ATOM 0 HG SER A 98 -6.510 6.555 15.283 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.823 7.889 16.324 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.308 8.000 17.684 1.00 1.13 C ATOM 1279 C GLU A 99 -2.920 8.635 17.691 1.00 1.27 C ATOM 1280 O GLU A 99 -2.548 9.323 18.641 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.256 6.622 18.347 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.637 6.640 19.817 1.00 1.76 C ATOM 1283 CD GLU A 99 -6.136 6.734 20.029 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.690 7.841 19.870 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -6.755 5.699 20.354 1.00 2.88 O ATOM 0 H GLU A 99 -4.650 6.987 15.880 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.983 8.642 18.250 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.926 5.946 17.815 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.249 6.217 18.246 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.262 5.736 20.297 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -4.151 7.485 20.304 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.157 8.395 16.629 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.809 8.943 16.519 1.00 1.37 C ATOM 1294 C GLN A 100 -0.836 10.469 16.510 1.00 1.48 C ATOM 1295 O GLN A 100 0.099 11.119 16.977 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.121 8.417 15.254 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.611 9.067 13.968 1.00 1.96 C ATOM 1298 CD GLN A 100 0.183 8.626 12.753 1.00 2.38 C ATOM 1299 OE1 GLN A 100 0.546 9.441 11.905 1.00 3.19 O ATOM 1300 NE2 GLN A 100 0.457 7.330 12.662 1.00 2.35 N ATOM 0 H GLN A 100 -2.448 7.826 15.834 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.241 8.619 17.391 1.00 1.37 H new ATOM 0 HB2 GLN A 100 0.953 8.577 15.344 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.278 7.340 15.188 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -1.663 8.822 13.819 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.547 10.151 14.066 1.00 1.96 H new ATOM 0 HE21 GLN A 100 0.137 6.689 13.388 1.00 2.35 H new ATOM 0 HE22 GLN A 100 0.988 6.976 11.866 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.915 11.034 15.975 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.065 12.484 15.904 1.00 1.59 C ATOM 1309 C GLU A 101 -1.028 13.092 14.965 1.00 1.58 C ATOM 1310 O GLU A 101 -0.327 14.038 15.324 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.938 13.102 17.299 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.683 14.419 17.449 1.00 2.02 C ATOM 1313 CD GLU A 101 -1.835 15.500 18.090 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -0.671 15.670 17.669 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -2.334 16.176 19.015 1.00 2.04 O ATOM 0 H GLU A 101 -2.698 10.510 15.584 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.057 12.703 15.509 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -2.315 12.394 18.037 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.883 13.263 17.522 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.016 14.758 16.468 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.577 14.259 18.051 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.937 12.542 13.759 1.00 1.36 N ATOM 1323 CA LYS A 102 0.013 13.028 12.765 1.00 1.36 C ATOM 1324 C LYS A 102 -0.597 12.989 11.365 1.00 1.24 C ATOM 1325 O LYS A 102 -1.647 12.383 11.155 1.00 1.16 O ATOM 1326 CB LYS A 102 1.292 12.189 12.802 1.00 1.37 C ATOM 1327 CG LYS A 102 2.384 12.781 13.680 1.00 1.77 C ATOM 1328 CD LYS A 102 2.568 11.981 14.960 1.00 2.28 C ATOM 1329 CE LYS A 102 3.608 10.887 14.788 1.00 2.19 C ATOM 1330 NZ LYS A 102 4.993 11.405 14.961 1.00 2.36 N ATOM 0 H LYS A 102 -1.510 11.759 13.446 1.00 1.36 H new ATOM 0 HA LYS A 102 0.258 14.063 13.005 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.050 11.189 13.162 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.674 12.079 11.787 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.323 12.805 13.127 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.133 13.812 13.928 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.870 12.648 15.767 1.00 2.28 H new ATOM 0 HD3 LYS A 102 1.617 11.537 15.253 1.00 2.28 H new ATOM 0 HE2 LYS A 102 3.424 10.094 15.513 1.00 2.19 H new ATOM 0 HE3 LYS A 102 3.508 10.443 13.798 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 5.673 10.628 14.836 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 5.178 12.144 14.253 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 5.097 11.806 15.915 1.00 2.36 H new ATOM 1344 N PRO A 103 0.057 13.639 10.386 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.427 13.674 9.002 1.00 1.21 C ATOM 1346 C PRO A 103 -0.807 12.291 8.482 1.00 1.01 C ATOM 1347 O PRO A 103 -0.002 11.361 8.520 1.00 0.97 O ATOM 1348 CB PRO A 103 0.768 14.229 8.226 1.00 1.28 C ATOM 1349 CG PRO A 103 1.503 15.063 9.217 1.00 1.36 C ATOM 1350 CD PRO A 103 1.318 14.388 10.549 1.00 1.42 C ATOM 0 HA PRO A 103 -1.334 14.271 8.902 1.00 1.21 H new ATOM 0 HB2 PRO A 103 1.396 13.427 7.839 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.445 14.822 7.371 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.560 15.134 8.959 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.111 16.080 9.238 1.00 1.36 H new ATOM 0 HD2 PRO A 103 2.151 13.725 10.782 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.252 15.113 11.360 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.039 12.164 8.001 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.528 10.893 7.479 1.00 0.93 C ATOM 1360 C LEU A 104 -1.880 10.567 6.136 1.00 0.85 C ATOM 1361 O LEU A 104 -1.587 9.408 5.844 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.051 10.929 7.334 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.817 10.143 8.399 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.317 10.287 8.194 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.411 8.678 8.370 1.00 1.51 C ATOM 0 H LEU A 104 -2.717 12.925 7.962 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.258 10.110 8.188 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.380 11.968 7.363 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.317 10.538 6.352 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.566 10.551 9.378 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.845 9.721 8.961 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.594 11.339 8.264 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.588 9.905 7.210 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -4.965 8.132 9.134 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.635 8.258 7.389 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.342 8.593 8.566 1.00 1.51 H new ATOM 1371 N MET A 105 -1.654 11.596 5.324 1.00 0.98 N ATOM 1372 CA MET A 105 -1.036 11.413 4.013 1.00 0.99 C ATOM 1373 C MET A 105 0.279 10.650 4.136 1.00 0.76 C ATOM 1374 O MET A 105 0.659 9.897 3.239 1.00 0.81 O ATOM 1375 CB MET A 105 -0.796 12.764 3.334 1.00 1.22 C ATOM 1376 CG MET A 105 -0.280 13.849 4.270 1.00 1.08 C ATOM 1377 SD MET A 105 -1.272 15.356 4.212 1.00 1.56 S ATOM 1378 CE MET A 105 -2.929 14.682 4.283 1.00 1.27 C ATOM 0 H MET A 105 -1.889 12.563 5.549 1.00 0.98 H new ATOM 0 HA MET A 105 -1.721 10.829 3.398 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.080 12.629 2.523 1.00 1.22 H new ATOM 0 HB3 MET A 105 -1.729 13.102 2.883 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.269 13.466 5.291 1.00 1.08 H new ATOM 0 HG3 MET A 105 0.751 14.088 4.008 1.00 1.08 H new ATOM 0 HE1 MET A 105 -3.623 15.457 4.609 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.220 14.327 3.294 1.00 1.27 H new ATOM 0 HE3 MET A 105 -2.954 13.852 4.989 1.00 1.27 H new ATOM 1388 N ALA A 106 0.962 10.839 5.260 1.00 0.70 N ATOM 1389 CA ALA A 106 2.228 10.162 5.507 1.00 0.63 C ATOM 1390 C ALA A 106 1.989 8.726 5.961 1.00 0.54 C ATOM 1391 O ALA A 106 2.659 7.794 5.506 1.00 0.61 O ATOM 1392 CB ALA A 106 3.036 10.920 6.550 1.00 0.84 C ATOM 0 H ALA A 106 0.659 11.456 6.014 1.00 0.70 H new ATOM 0 HA ALA A 106 2.794 10.138 4.576 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.980 10.403 6.725 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.236 11.930 6.192 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.472 10.971 7.481 1.00 0.84 H new ATOM 1398 N HIS A 107 1.018 8.553 6.856 1.00 0.53 N ATOM 1399 CA HIS A 107 0.677 7.232 7.371 1.00 0.60 C ATOM 1400 C HIS A 107 0.337 6.285 6.229 1.00 0.55 C ATOM 1401 O HIS A 107 0.729 5.120 6.239 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.500 7.320 8.342 1.00 0.70 C ATOM 1403 CG HIS A 107 -0.769 6.041 9.071 1.00 1.22 C ATOM 1404 ND1 HIS A 107 0.102 5.505 9.997 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.819 5.186 9.008 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.400 4.378 10.470 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.565 4.162 9.888 1.00 2.34 N ATOM 0 H HIS A 107 0.455 9.312 7.238 1.00 0.53 H new ATOM 0 HA HIS A 107 1.544 6.843 7.905 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.303 8.109 9.068 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.395 7.610 7.791 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.994 5.915 10.273 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.693 5.290 8.382 1.00 1.93 H new ATOM 0 HE1 HIS A 107 0.064 3.741 11.208 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.389 6.794 5.240 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.767 5.990 4.087 1.00 0.46 C ATOM 1418 C TRP A 108 0.474 5.567 3.312 1.00 0.43 C ATOM 1419 O TRP A 108 0.635 4.396 2.966 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.715 6.774 3.178 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.110 6.861 3.714 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.734 7.973 4.202 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.055 5.790 3.821 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.010 7.658 4.605 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.230 6.325 4.381 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.021 4.431 3.496 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.360 5.549 4.621 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.143 3.661 3.736 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.299 4.221 4.294 1.00 2.00 C ATOM 0 H TRP A 108 -0.726 7.756 5.214 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.283 5.097 4.440 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.323 7.781 3.038 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.739 6.302 2.196 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.290 8.956 4.263 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.683 8.311 5.006 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.134 3.991 3.065 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.253 5.979 5.050 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.128 2.610 3.489 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.160 3.593 4.470 1.00 2.00 H new ATOM 1440 N ALA A 109 1.355 6.532 3.056 1.00 0.47 N ATOM 1441 CA ALA A 109 2.593 6.268 2.333 1.00 0.51 C ATOM 1442 C ALA A 109 3.428 5.217 3.056 1.00 0.49 C ATOM 1443 O ALA A 109 3.927 4.275 2.441 1.00 0.64 O ATOM 1444 CB ALA A 109 3.390 7.553 2.164 1.00 0.62 C ATOM 0 H ALA A 109 1.232 7.504 3.340 1.00 0.47 H new ATOM 0 HA ALA A 109 2.338 5.882 1.346 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.312 7.341 1.622 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.798 8.277 1.604 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.631 7.963 3.145 1.00 0.62 H new ATOM 1450 N HIS A 110 3.574 5.381 4.365 1.00 0.44 N ATOM 1451 CA HIS A 110 4.346 4.437 5.166 1.00 0.53 C ATOM 1452 C HIS A 110 3.593 3.120 5.324 1.00 0.60 C ATOM 1453 O HIS A 110 4.164 2.038 5.162 1.00 0.86 O ATOM 1454 CB HIS A 110 4.647 5.034 6.541 1.00 0.57 C ATOM 1455 CG HIS A 110 5.712 4.297 7.291 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.891 2.972 7.505 1.00 1.58 N flip ATOM 1457 CD2 HIS A 110 6.758 4.931 7.929 1.00 1.90 C flip ATOM 1458 CE1 HIS A 110 7.029 2.832 8.259 1.00 1.93 C flip ATOM 1459 NE2 HIS A 110 7.533 4.027 8.502 1.00 2.16 N flip ATOM 0 H HIS A 110 3.170 6.155 4.893 1.00 0.44 H new ATOM 0 HA HIS A 110 5.285 4.239 4.650 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.953 6.073 6.418 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.733 5.039 7.134 1.00 0.57 H new ATOM 0 HD1 HIS A 110 5.292 2.218 7.168 1.00 1.58 H new ATOM 0 HD2 HIS A 110 6.918 5.999 7.956 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.445 1.895 8.599 1.00 1.93 H new ATOM 1468 N MET A 111 2.306 3.220 5.641 1.00 0.50 N ATOM 1469 CA MET A 111 1.469 2.045 5.825 1.00 0.59 C ATOM 1470 C MET A 111 1.478 1.154 4.584 1.00 0.59 C ATOM 1471 O MET A 111 1.841 -0.019 4.660 1.00 0.78 O ATOM 1472 CB MET A 111 0.037 2.465 6.160 1.00 0.63 C ATOM 1473 CG MET A 111 -0.860 1.306 6.556 1.00 1.24 C ATOM 1474 SD MET A 111 -1.735 0.600 5.149 1.00 2.04 S ATOM 1475 CE MET A 111 -0.981 -1.022 5.062 1.00 1.59 C ATOM 0 H MET A 111 1.821 4.107 5.776 1.00 0.50 H new ATOM 0 HA MET A 111 1.878 1.469 6.655 1.00 0.59 H new ATOM 0 HB2 MET A 111 0.061 3.189 6.974 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.396 2.970 5.296 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.259 0.531 7.032 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.584 1.647 7.296 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.091 -1.421 4.053 1.00 1.59 H new ATOM 0 HE2 MET A 111 0.078 -0.945 5.309 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.471 -1.689 5.771 1.00 1.59 H new ATOM 1485 N VAL A 112 1.071 1.710 3.444 1.00 0.51 N ATOM 1486 CA VAL A 112 1.031 0.948 2.196 1.00 0.58 C ATOM 1487 C VAL A 112 2.316 0.148 1.982 1.00 0.64 C ATOM 1488 O VAL A 112 2.270 -1.058 1.731 1.00 0.78 O ATOM 1489 CB VAL A 112 0.796 1.865 0.978 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.614 2.432 1.001 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.825 2.983 0.941 1.00 1.42 C ATOM 0 H VAL A 112 0.766 2.679 3.358 1.00 0.51 H new ATOM 0 HA VAL A 112 0.194 0.255 2.285 1.00 0.58 H new ATOM 0 HB VAL A 112 0.910 1.269 0.073 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.761 3.076 0.134 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.335 1.615 0.973 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.758 3.012 1.913 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.641 3.618 0.074 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.748 3.579 1.850 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.825 2.555 0.872 1.00 1.42 H new ATOM 1495 N VAL A 113 3.460 0.820 2.092 1.00 0.61 N ATOM 1496 CA VAL A 113 4.747 0.159 1.915 1.00 0.72 C ATOM 1497 C VAL A 113 4.978 -0.880 3.009 1.00 0.82 C ATOM 1498 O VAL A 113 5.589 -1.922 2.768 1.00 1.03 O ATOM 1499 CB VAL A 113 5.908 1.178 1.917 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.255 0.477 1.782 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.719 2.194 0.799 1.00 0.63 C ATOM 0 H VAL A 113 3.520 1.816 2.302 1.00 0.61 H new ATOM 0 HA VAL A 113 4.724 -0.340 0.946 1.00 0.72 H new ATOM 0 HB VAL A 113 5.899 1.702 2.873 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.053 1.219 1.786 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.393 -0.210 2.617 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.283 -0.080 0.846 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.544 2.906 0.811 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.699 1.679 -0.161 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.779 2.725 0.945 1.00 0.63 H new ATOM 1505 N HIS A 114 4.484 -0.596 4.211 1.00 0.75 N ATOM 1506 CA HIS A 114 4.641 -1.517 5.331 1.00 0.85 C ATOM 1507 C HIS A 114 3.864 -2.812 5.086 1.00 0.96 C ATOM 1508 O HIS A 114 4.371 -3.906 5.325 1.00 1.08 O ATOM 1509 CB HIS A 114 4.187 -0.849 6.641 1.00 0.89 C ATOM 1510 CG HIS A 114 2.995 -1.498 7.289 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.699 -1.093 7.053 1.00 1.39 N ATOM 1512 CD2 HIS A 114 2.911 -2.535 8.157 1.00 1.57 C ATOM 1513 CE1 HIS A 114 0.867 -1.851 7.747 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.578 -2.733 8.424 1.00 1.36 N ATOM 0 H HIS A 114 3.975 0.259 4.433 1.00 0.75 H new ATOM 0 HA HIS A 114 5.697 -1.771 5.420 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.018 -0.858 7.346 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.951 0.196 6.439 1.00 0.89 H new ATOM 0 HD2 HIS A 114 3.737 -3.100 8.563 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.209 -1.763 7.758 1.00 1.30 H new ATOM 0 HE2 HIS A 114 1.199 -3.447 9.046 1.00 1.36 H new ATOM 1523 N GLY A 115 2.629 -2.672 4.618 1.00 1.03 N ATOM 1524 CA GLY A 115 1.793 -3.831 4.360 1.00 1.18 C ATOM 1525 C GLY A 115 2.013 -4.441 2.988 1.00 1.20 C ATOM 1526 O GLY A 115 1.471 -5.505 2.688 1.00 1.36 O ATOM 0 H GLY A 115 2.190 -1.775 4.412 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.988 -4.587 5.121 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.746 -3.543 4.458 1.00 1.18 H new ATOM 1530 N SER A 116 2.800 -3.775 2.148 1.00 1.17 N ATOM 1531 CA SER A 116 3.068 -4.279 0.805 1.00 1.26 C ATOM 1532 C SER A 116 4.239 -5.259 0.797 1.00 1.36 C ATOM 1533 O SER A 116 4.143 -6.349 0.230 1.00 1.63 O ATOM 1534 CB SER A 116 3.357 -3.119 -0.152 1.00 1.31 C ATOM 1535 OG SER A 116 2.237 -2.842 -0.974 1.00 1.72 O ATOM 0 H SER A 116 3.260 -2.892 2.371 1.00 1.17 H new ATOM 0 HA SER A 116 2.177 -4.811 0.470 1.00 1.26 H new ATOM 0 HB2 SER A 116 3.621 -2.229 0.420 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.217 -3.364 -0.775 1.00 1.31 H new ATOM 0 HG SER A 116 2.245 -1.896 -1.230 1.00 1.72 H new ATOM 1541 N LEU A 117 5.348 -4.860 1.412 1.00 1.28 N ATOM 1542 CA LEU A 117 6.543 -5.698 1.456 1.00 1.49 C ATOM 1543 C LEU A 117 6.486 -6.710 2.597 1.00 1.69 C ATOM 1544 O LEU A 117 6.798 -7.887 2.411 1.00 1.94 O ATOM 1545 CB LEU A 117 7.790 -4.826 1.600 1.00 1.49 C ATOM 1546 CG LEU A 117 8.986 -5.266 0.755 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.661 -4.064 0.116 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.978 -6.051 1.600 1.00 2.38 C ATOM 0 H LEU A 117 5.445 -3.962 1.887 1.00 1.28 H new ATOM 0 HA LEU A 117 6.589 -6.253 0.519 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.532 -3.802 1.332 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.089 -4.815 2.648 1.00 1.49 H new ATOM 0 HG LEU A 117 8.623 -5.917 -0.040 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.510 -4.398 -0.481 1.00 2.07 H new ATOM 0 HD12 LEU A 117 8.948 -3.545 -0.525 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.010 -3.386 0.895 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.822 -6.355 0.981 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.335 -5.425 2.418 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.489 -6.936 2.007 1.00 2.38 H new ATOM 1554 N HIS A 118 6.099 -6.244 3.778 1.00 1.70 N ATOM 1555 CA HIS A 118 6.017 -7.103 4.956 1.00 2.04 C ATOM 1556 C HIS A 118 5.180 -8.355 4.693 1.00 2.25 C ATOM 1557 O HIS A 118 5.293 -9.342 5.419 1.00 2.60 O ATOM 1558 CB HIS A 118 5.424 -6.325 6.132 1.00 2.10 C ATOM 1559 CG HIS A 118 5.397 -7.104 7.411 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.425 -7.079 8.330 1.00 2.63 N ATOM 1561 CD2 HIS A 118 4.458 -7.935 7.923 1.00 2.93 C ATOM 1562 CE1 HIS A 118 6.120 -7.859 9.351 1.00 3.13 C ATOM 1563 NE2 HIS A 118 4.931 -8.389 9.129 1.00 3.28 N ATOM 0 H HIS A 118 5.836 -5.273 3.947 1.00 1.70 H new ATOM 0 HA HIS A 118 7.030 -7.423 5.198 1.00 2.04 H new ATOM 0 HB2 HIS A 118 6.003 -5.414 6.283 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.408 -6.020 5.880 1.00 2.10 H new ATOM 0 HD2 HIS A 118 3.513 -8.192 7.467 1.00 2.93 H new ATOM 0 HE1 HIS A 118 6.738 -8.034 10.220 1.00 3.13 H new ATOM 0 HE2 HIS A 118 4.443 -9.032 9.753 1.00 3.28 H new ATOM 1572 N LEU A 119 4.329 -8.308 3.673 1.00 2.15 N ATOM 1573 CA LEU A 119 3.471 -9.443 3.356 1.00 2.45 C ATOM 1574 C LEU A 119 4.035 -10.309 2.230 1.00 2.53 C ATOM 1575 O LEU A 119 3.980 -11.536 2.306 1.00 2.98 O ATOM 1576 CB LEU A 119 2.071 -8.957 2.973 1.00 2.52 C ATOM 1577 CG LEU A 119 1.115 -10.057 2.503 1.00 2.47 C ATOM 1578 CD1 LEU A 119 -0.253 -9.886 3.141 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.002 -10.055 0.986 1.00 2.27 C ATOM 0 H LEU A 119 4.216 -7.503 3.057 1.00 2.15 H new ATOM 0 HA LEU A 119 3.421 -10.060 4.253 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.629 -8.454 3.833 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.164 -8.213 2.181 1.00 2.52 H new ATOM 0 HG LEU A 119 1.520 -11.019 2.816 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.918 -10.677 2.794 1.00 3.30 H new ATOM 0 HD12 LEU A 119 -0.158 -9.941 4.225 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.666 -8.917 2.862 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.318 -10.843 0.671 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.622 -9.090 0.651 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.985 -10.230 0.548 1.00 2.27 H new ATOM 1585 N LEU A 120 4.552 -9.682 1.176 1.00 2.25 N ATOM 1586 CA LEU A 120 5.082 -10.439 0.045 1.00 2.47 C ATOM 1587 C LEU A 120 6.573 -10.193 -0.171 1.00 2.57 C ATOM 1588 O LEU A 120 7.312 -11.114 -0.521 1.00 3.07 O ATOM 1589 CB LEU A 120 4.302 -10.101 -1.230 1.00 2.62 C ATOM 1590 CG LEU A 120 4.670 -8.772 -1.894 1.00 2.70 C ATOM 1591 CD1 LEU A 120 5.736 -8.986 -2.957 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.435 -8.117 -2.499 1.00 2.88 C ATOM 0 H LEU A 120 4.615 -8.668 1.081 1.00 2.25 H new ATOM 0 HA LEU A 120 4.959 -11.496 0.279 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.455 -10.903 -1.952 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.239 -10.086 -0.991 1.00 2.62 H new ATOM 0 HG LEU A 120 5.073 -8.105 -1.132 1.00 2.70 H new ATOM 0 HD11 LEU A 120 5.986 -8.031 -3.419 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.628 -9.411 -2.497 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.359 -9.670 -3.718 1.00 3.20 H new ATOM 0 HD21 LEU A 120 3.716 -7.173 -2.967 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.003 -8.779 -3.249 1.00 2.88 H new ATOM 0 HD23 LEU A 120 2.702 -7.929 -1.715 1.00 2.88 H new ATOM 1598 N GLY A 121 7.013 -8.955 0.020 1.00 2.56 N ATOM 1599 CA GLY A 121 8.415 -8.642 -0.184 1.00 3.27 C ATOM 1600 C GLY A 121 8.730 -8.399 -1.647 1.00 3.49 C ATOM 1601 O GLY A 121 9.403 -9.206 -2.287 1.00 4.12 O ATOM 0 H GLY A 121 6.431 -8.169 0.310 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.678 -7.758 0.396 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.029 -9.462 0.189 1.00 3.27 H new ATOM 1605 N TYR A 122 8.224 -7.290 -2.179 1.00 3.41 N ATOM 1606 CA TYR A 122 8.434 -6.944 -3.585 1.00 4.05 C ATOM 1607 C TYR A 122 9.866 -6.480 -3.870 1.00 4.04 C ATOM 1608 O TYR A 122 10.135 -5.897 -4.919 1.00 4.29 O ATOM 1609 CB TYR A 122 7.423 -5.880 -4.050 1.00 4.92 C ATOM 1610 CG TYR A 122 7.350 -4.636 -3.186 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.694 -4.645 -1.961 1.00 5.29 C ATOM 1612 CD2 TYR A 122 7.925 -3.442 -3.608 1.00 5.07 C ATOM 1613 CE1 TYR A 122 6.615 -3.507 -1.183 1.00 5.72 C ATOM 1614 CE2 TYR A 122 7.849 -2.300 -2.834 1.00 5.49 C ATOM 1615 CZ TYR A 122 7.193 -2.338 -1.623 1.00 5.83 C ATOM 1616 OH TYR A 122 7.118 -1.204 -0.850 1.00 6.50 O ATOM 0 H TYR A 122 7.665 -6.614 -1.659 1.00 3.41 H new ATOM 0 HA TYR A 122 8.272 -7.858 -4.156 1.00 4.05 H new ATOM 0 HB2 TYR A 122 7.676 -5.582 -5.067 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.433 -6.335 -4.088 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.237 -5.559 -1.611 1.00 5.29 H new ATOM 0 HD2 TYR A 122 8.440 -3.407 -4.557 1.00 5.07 H new ATOM 0 HE1 TYR A 122 6.102 -3.534 -0.233 1.00 5.72 H new ATOM 0 HE2 TYR A 122 8.302 -1.381 -3.177 1.00 5.49 H new ATOM 0 HH TYR A 122 7.981 -0.740 -0.866 1.00 6.50 H new ATOM 1626 N ASP A 123 10.786 -6.756 -2.947 1.00 4.20 N ATOM 1627 CA ASP A 123 12.185 -6.383 -3.123 1.00 4.65 C ATOM 1628 C ASP A 123 13.032 -7.630 -3.370 1.00 4.02 C ATOM 1629 O ASP A 123 14.133 -7.764 -2.837 1.00 4.67 O ATOM 1630 CB ASP A 123 12.697 -5.636 -1.892 1.00 5.43 C ATOM 1631 CG ASP A 123 13.951 -4.835 -2.180 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.964 -5.445 -2.583 1.00 6.82 O ATOM 1633 OD2 ASP A 123 13.921 -3.600 -2.002 1.00 6.57 O ATOM 0 H ASP A 123 10.586 -7.237 -2.070 1.00 4.20 H new ATOM 0 HA ASP A 123 12.264 -5.724 -3.987 1.00 4.65 H new ATOM 0 HB2 ASP A 123 11.918 -4.967 -1.527 1.00 5.43 H new ATOM 0 HB3 ASP A 123 12.902 -6.352 -1.096 1.00 5.43 H new ATOM 1638 N HIS A 124 12.497 -8.546 -4.173 1.00 2.97 N ATOM 1639 CA HIS A 124 13.188 -9.797 -4.484 1.00 2.45 C ATOM 1640 C HIS A 124 14.460 -9.550 -5.294 1.00 2.10 C ATOM 1641 O HIS A 124 15.556 -9.493 -4.738 1.00 2.45 O ATOM 1642 CB HIS A 124 12.270 -10.780 -5.232 1.00 2.23 C ATOM 1643 CG HIS A 124 11.197 -10.142 -6.070 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.270 -10.044 -7.445 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.013 -9.581 -5.721 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.182 -9.451 -7.902 1.00 2.83 C ATOM 1647 NE2 HIS A 124 9.403 -9.159 -6.877 1.00 3.06 N ATOM 0 H HIS A 124 11.586 -8.446 -4.621 1.00 2.97 H new ATOM 0 HA HIS A 124 13.469 -10.246 -3.531 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.885 -11.409 -5.875 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.796 -11.437 -4.502 1.00 2.23 H new ATOM 0 HD2 HIS A 124 9.622 -9.484 -4.719 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.966 -9.241 -8.939 1.00 2.83 H new ATOM 0 HE2 HIS A 124 8.496 -8.696 -6.934 1.00 3.06 H new ATOM 1656 N ILE A 125 14.309 -9.414 -6.609 1.00 1.91 N ATOM 1657 CA ILE A 125 15.448 -9.184 -7.492 1.00 2.11 C ATOM 1658 C ILE A 125 16.362 -8.092 -6.946 1.00 2.10 C ATOM 1659 O ILE A 125 15.900 -7.025 -6.542 1.00 1.90 O ATOM 1660 CB ILE A 125 14.990 -8.802 -8.911 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.012 -7.628 -8.856 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.356 -10.005 -9.599 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.484 -7.218 -10.213 1.00 3.27 C ATOM 0 H ILE A 125 13.409 -9.459 -7.086 1.00 1.91 H new ATOM 0 HA ILE A 125 16.004 -10.120 -7.540 1.00 2.11 H new ATOM 0 HB ILE A 125 15.859 -8.493 -9.492 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.173 -7.895 -8.214 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.508 -6.774 -8.395 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.036 -9.723 -10.602 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.085 -10.813 -9.664 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.493 -10.340 -9.023 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.796 -6.380 -10.098 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.315 -6.920 -10.852 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.959 -8.058 -10.668 1.00 3.27 H new ATOM 1667 N GLU A 126 17.660 -8.374 -6.925 1.00 2.54 N ATOM 1668 CA GLU A 126 18.641 -7.424 -6.414 1.00 2.75 C ATOM 1669 C GLU A 126 19.214 -6.546 -7.526 1.00 2.70 C ATOM 1670 O GLU A 126 20.130 -5.759 -7.288 1.00 2.83 O ATOM 1671 CB GLU A 126 19.774 -8.169 -5.708 1.00 3.67 C ATOM 1672 CG GLU A 126 20.523 -9.135 -6.611 1.00 4.39 C ATOM 1673 CD GLU A 126 21.893 -8.620 -7.009 1.00 5.41 C ATOM 1674 OE1 GLU A 126 21.958 -7.671 -7.818 1.00 5.87 O ATOM 1675 OE2 GLU A 126 22.900 -9.167 -6.511 1.00 6.01 O ATOM 0 H GLU A 126 18.057 -9.253 -7.256 1.00 2.54 H new ATOM 0 HA GLU A 126 18.130 -6.774 -5.704 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.479 -7.442 -5.304 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.363 -8.720 -4.862 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.633 -10.092 -6.101 1.00 4.39 H new ATOM 0 HG3 GLU A 126 19.933 -9.318 -7.509 1.00 4.39 H new ATOM 1682 N ASP A 127 18.684 -6.687 -8.739 1.00 2.79 N ATOM 1683 CA ASP A 127 19.171 -5.902 -9.868 1.00 3.14 C ATOM 1684 C ASP A 127 18.428 -4.574 -10.005 1.00 2.88 C ATOM 1685 O ASP A 127 19.001 -3.508 -9.782 1.00 3.08 O ATOM 1686 CB ASP A 127 19.041 -6.706 -11.163 1.00 3.66 C ATOM 1687 CG ASP A 127 19.933 -6.171 -12.267 1.00 4.67 C ATOM 1688 OD1 ASP A 127 19.554 -5.162 -12.898 1.00 5.29 O ATOM 1689 OD2 ASP A 127 21.008 -6.760 -12.501 1.00 5.15 O ATOM 0 H ASP A 127 17.925 -7.331 -8.963 1.00 2.79 H new ATOM 0 HA ASP A 127 20.221 -5.676 -9.680 1.00 3.14 H new ATOM 0 HB2 ASP A 127 19.294 -7.748 -10.968 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.003 -6.687 -11.497 1.00 3.66 H new ATOM 1694 N ASP A 128 17.156 -4.640 -10.392 1.00 2.70 N ATOM 1695 CA ASP A 128 16.350 -3.437 -10.581 1.00 2.87 C ATOM 1696 C ASP A 128 15.484 -3.121 -9.362 1.00 2.37 C ATOM 1697 O ASP A 128 15.756 -2.174 -8.621 1.00 2.51 O ATOM 1698 CB ASP A 128 15.465 -3.585 -11.821 1.00 3.34 C ATOM 1699 CG ASP A 128 15.611 -2.418 -12.778 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.700 -1.807 -12.806 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.636 -2.114 -13.497 1.00 4.15 O ATOM 0 H ASP A 128 16.662 -5.512 -10.580 1.00 2.70 H new ATOM 0 HA ASP A 128 17.041 -2.605 -10.717 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.721 -4.510 -12.338 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.423 -3.670 -11.512 1.00 3.34 H new ATOM 1706 N GLU A 129 14.426 -3.906 -9.182 1.00 2.02 N ATOM 1707 CA GLU A 129 13.482 -3.716 -8.079 1.00 1.94 C ATOM 1708 C GLU A 129 14.181 -3.348 -6.771 1.00 1.62 C ATOM 1709 O GLU A 129 13.765 -2.421 -6.081 1.00 1.65 O ATOM 1710 CB GLU A 129 12.642 -4.978 -7.878 1.00 2.14 C ATOM 1711 CG GLU A 129 11.372 -4.741 -7.076 1.00 3.04 C ATOM 1712 CD GLU A 129 10.509 -3.641 -7.663 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.582 -3.419 -8.890 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.760 -3.002 -6.895 1.00 4.68 O ATOM 0 H GLU A 129 14.197 -4.690 -9.793 1.00 2.02 H new ATOM 0 HA GLU A 129 12.836 -2.882 -8.353 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.376 -5.386 -8.853 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.247 -5.730 -7.372 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.796 -5.665 -7.033 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.637 -4.482 -6.051 1.00 3.04 H new ATOM 1721 N ALA A 130 15.234 -4.077 -6.427 1.00 1.57 N ATOM 1722 CA ALA A 130 15.965 -3.815 -5.191 1.00 1.56 C ATOM 1723 C ALA A 130 16.320 -2.335 -5.047 1.00 1.41 C ATOM 1724 O ALA A 130 15.714 -1.619 -4.250 1.00 1.33 O ATOM 1725 CB ALA A 130 17.219 -4.670 -5.129 1.00 1.92 C ATOM 0 H ALA A 130 15.601 -4.850 -6.982 1.00 1.57 H new ATOM 0 HA ALA A 130 15.313 -4.079 -4.358 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.754 -4.464 -4.202 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.943 -5.724 -5.162 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.861 -4.436 -5.978 1.00 1.92 H new ATOM 1731 N GLU A 131 17.307 -1.884 -5.816 1.00 1.46 N ATOM 1732 CA GLU A 131 17.741 -0.491 -5.764 1.00 1.46 C ATOM 1733 C GLU A 131 16.583 0.460 -6.057 1.00 1.38 C ATOM 1734 O GLU A 131 16.336 1.405 -5.302 1.00 1.37 O ATOM 1735 CB GLU A 131 18.879 -0.251 -6.759 1.00 1.66 C ATOM 1736 CG GLU A 131 18.538 -0.645 -8.187 1.00 1.92 C ATOM 1737 CD GLU A 131 19.750 -0.641 -9.098 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.503 -1.637 -9.089 1.00 3.30 O ATOM 1739 OE2 GLU A 131 19.948 0.360 -9.819 1.00 2.84 O ATOM 0 H GLU A 131 17.821 -2.462 -6.482 1.00 1.46 H new ATOM 0 HA GLU A 131 18.100 -0.290 -4.755 1.00 1.46 H new ATOM 0 HB2 GLU A 131 19.151 0.804 -6.738 1.00 1.66 H new ATOM 0 HB3 GLU A 131 19.756 -0.813 -6.436 1.00 1.66 H new ATOM 0 HG2 GLU A 131 18.090 -1.639 -8.189 1.00 1.92 H new ATOM 0 HG3 GLU A 131 17.790 0.043 -8.581 1.00 1.92 H new ATOM 1746 N GLU A 132 15.876 0.204 -7.153 1.00 1.44 N ATOM 1747 CA GLU A 132 14.742 1.033 -7.549 1.00 1.53 C ATOM 1748 C GLU A 132 13.762 1.197 -6.393 1.00 1.29 C ATOM 1749 O GLU A 132 13.442 2.315 -5.989 1.00 1.22 O ATOM 1750 CB GLU A 132 14.030 0.419 -8.756 1.00 1.86 C ATOM 1751 CG GLU A 132 13.582 1.445 -9.784 1.00 2.46 C ATOM 1752 CD GLU A 132 14.637 1.714 -10.838 1.00 2.96 C ATOM 1753 OE1 GLU A 132 15.831 1.791 -10.478 1.00 3.44 O ATOM 1754 OE2 GLU A 132 14.271 1.847 -12.025 1.00 3.37 O ATOM 0 H GLU A 132 16.069 -0.573 -7.785 1.00 1.44 H new ATOM 0 HA GLU A 132 15.120 2.017 -7.824 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.698 -0.297 -9.236 1.00 1.86 H new ATOM 0 HB3 GLU A 132 13.160 -0.139 -8.409 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.671 1.094 -10.269 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.334 2.378 -9.277 1.00 2.46 H new ATOM 1761 N MET A 133 13.295 0.073 -5.860 1.00 1.28 N ATOM 1762 CA MET A 133 12.360 0.087 -4.745 1.00 1.23 C ATOM 1763 C MET A 133 12.999 0.741 -3.526 1.00 0.98 C ATOM 1764 O MET A 133 12.340 1.460 -2.777 1.00 0.92 O ATOM 1765 CB MET A 133 11.913 -1.334 -4.405 1.00 1.53 C ATOM 1766 CG MET A 133 10.593 -1.393 -3.659 1.00 1.39 C ATOM 1767 SD MET A 133 10.731 -0.827 -1.952 1.00 2.20 S ATOM 1768 CE MET A 133 11.748 -2.120 -1.245 1.00 2.47 C ATOM 0 H MET A 133 13.550 -0.860 -6.184 1.00 1.28 H new ATOM 0 HA MET A 133 11.485 0.668 -5.037 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.826 -1.909 -5.327 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.684 -1.814 -3.802 1.00 1.53 H new ATOM 0 HG2 MET A 133 9.858 -0.781 -4.182 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.221 -2.417 -3.669 1.00 1.39 H new ATOM 0 HE1 MET A 133 11.516 -2.227 -0.185 1.00 2.47 H new ATOM 0 HE2 MET A 133 11.548 -3.061 -1.757 1.00 2.47 H new ATOM 0 HE3 MET A 133 12.800 -1.860 -1.361 1.00 2.47 H new ATOM 1778 N GLU A 134 14.294 0.497 -3.340 1.00 1.00 N ATOM 1779 CA GLU A 134 15.024 1.072 -2.219 1.00 0.98 C ATOM 1780 C GLU A 134 14.939 2.593 -2.256 1.00 0.85 C ATOM 1781 O GLU A 134 14.399 3.219 -1.342 1.00 0.92 O ATOM 1782 CB GLU A 134 16.488 0.624 -2.249 1.00 1.17 C ATOM 1783 CG GLU A 134 16.826 -0.418 -1.196 1.00 1.00 C ATOM 1784 CD GLU A 134 17.401 -1.688 -1.793 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.987 -1.613 -2.894 1.00 2.11 O ATOM 1786 OE2 GLU A 134 17.263 -2.757 -1.163 1.00 2.40 O ATOM 0 H GLU A 134 14.857 -0.095 -3.952 1.00 1.00 H new ATOM 0 HA GLU A 134 14.570 0.719 -1.293 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.715 0.219 -3.235 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.129 1.494 -2.106 1.00 1.17 H new ATOM 0 HG2 GLU A 134 17.542 0.003 -0.490 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.927 -0.662 -0.630 1.00 1.00 H new ATOM 1793 N SER A 135 15.462 3.183 -3.327 1.00 0.80 N ATOM 1794 CA SER A 135 15.430 4.632 -3.487 1.00 0.84 C ATOM 1795 C SER A 135 13.988 5.125 -3.550 1.00 0.80 C ATOM 1796 O SER A 135 13.636 6.133 -2.935 1.00 0.82 O ATOM 1797 CB SER A 135 16.182 5.044 -4.755 1.00 0.97 C ATOM 1798 OG SER A 135 17.066 6.121 -4.496 1.00 1.29 O ATOM 0 H SER A 135 15.911 2.682 -4.094 1.00 0.80 H new ATOM 0 HA SER A 135 15.920 5.087 -2.626 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.743 4.193 -5.141 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.469 5.332 -5.527 1.00 0.97 H new ATOM 0 HG SER A 135 17.536 6.364 -5.321 1.00 1.29 H new ATOM 1804 N LEU A 136 13.159 4.398 -4.293 1.00 0.81 N ATOM 1805 CA LEU A 136 11.750 4.746 -4.437 1.00 0.87 C ATOM 1806 C LEU A 136 11.067 4.808 -3.076 1.00 0.73 C ATOM 1807 O LEU A 136 10.546 5.849 -2.677 1.00 0.85 O ATOM 1808 CB LEU A 136 11.047 3.721 -5.335 1.00 0.98 C ATOM 1809 CG LEU A 136 9.526 3.876 -5.453 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.826 3.199 -4.285 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.138 5.346 -5.533 1.00 1.73 C ATOM 0 H LEU A 136 13.440 3.562 -4.806 1.00 0.81 H new ATOM 0 HA LEU A 136 11.682 5.731 -4.899 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.479 3.783 -6.334 1.00 0.98 H new ATOM 0 HB3 LEU A 136 11.264 2.723 -4.955 1.00 0.98 H new ATOM 0 HG LEU A 136 9.205 3.389 -6.374 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.748 3.320 -4.387 1.00 1.17 H new ATOM 0 HD12 LEU A 136 9.073 2.137 -4.279 1.00 1.17 H new ATOM 0 HD13 LEU A 136 9.155 3.653 -3.351 1.00 1.17 H new ATOM 0 HD21 LEU A 136 8.055 5.432 -5.616 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.475 5.861 -4.633 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.606 5.799 -6.407 1.00 1.73 H new ATOM 1817 N GLU A 137 11.078 3.685 -2.366 1.00 0.57 N ATOM 1818 CA GLU A 137 10.464 3.607 -1.046 1.00 0.51 C ATOM 1819 C GLU A 137 11.111 4.602 -0.093 1.00 0.52 C ATOM 1820 O GLU A 137 10.429 5.261 0.691 1.00 0.53 O ATOM 1821 CB GLU A 137 10.585 2.181 -0.493 1.00 0.52 C ATOM 1822 CG GLU A 137 10.279 2.064 0.994 1.00 1.16 C ATOM 1823 CD GLU A 137 11.514 1.769 1.822 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.597 2.283 1.476 1.00 2.45 O ATOM 1825 OE2 GLU A 137 11.396 1.024 2.818 1.00 2.54 O ATOM 0 H GLU A 137 11.506 2.815 -2.683 1.00 0.57 H new ATOM 0 HA GLU A 137 9.408 3.861 -1.139 1.00 0.51 H new ATOM 0 HB2 GLU A 137 9.907 1.530 -1.045 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.596 1.817 -0.675 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.826 2.992 1.342 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.545 1.273 1.149 1.00 1.16 H new ATOM 1832 N THR A 138 12.430 4.706 -0.164 1.00 0.57 N ATOM 1833 CA THR A 138 13.168 5.621 0.695 1.00 0.67 C ATOM 1834 C THR A 138 12.763 7.070 0.435 1.00 0.69 C ATOM 1835 O THR A 138 12.776 7.899 1.345 1.00 0.77 O ATOM 1836 CB THR A 138 14.671 5.448 0.474 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.088 4.148 0.853 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.505 6.441 1.252 1.00 1.10 C ATOM 0 H THR A 138 13.011 4.168 -0.807 1.00 0.57 H new ATOM 0 HA THR A 138 12.927 5.384 1.731 1.00 0.67 H new ATOM 0 HB THR A 138 14.829 5.618 -0.591 1.00 0.82 H new ATOM 0 HG1 THR A 138 14.611 3.482 0.315 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.562 6.265 1.051 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.242 7.454 0.948 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.313 6.321 2.318 1.00 1.10 H new ATOM 1843 N GLN A 139 12.414 7.374 -0.812 1.00 0.70 N ATOM 1844 CA GLN A 139 12.019 8.729 -1.182 1.00 0.79 C ATOM 1845 C GLN A 139 10.618 9.067 -0.678 1.00 0.67 C ATOM 1846 O GLN A 139 10.350 10.203 -0.290 1.00 0.67 O ATOM 1847 CB GLN A 139 12.084 8.911 -2.698 1.00 0.92 C ATOM 1848 CG GLN A 139 12.006 10.365 -3.132 1.00 1.04 C ATOM 1849 CD GLN A 139 12.611 10.599 -4.502 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.259 9.716 -5.066 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.398 11.792 -5.047 1.00 1.28 N ATOM 0 H GLN A 139 12.397 6.703 -1.580 1.00 0.70 H new ATOM 0 HA GLN A 139 12.722 9.413 -0.707 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.012 8.477 -3.070 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.266 8.357 -3.159 1.00 0.92 H new ATOM 0 HG2 GLN A 139 10.963 10.682 -3.141 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.522 10.987 -2.400 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.855 12.493 -4.543 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.777 12.006 -5.969 1.00 1.28 H new ATOM 1858 N ILE A 140 9.726 8.084 -0.682 1.00 0.60 N ATOM 1859 CA ILE A 140 8.360 8.311 -0.213 1.00 0.52 C ATOM 1860 C ILE A 140 8.281 8.160 1.304 1.00 0.47 C ATOM 1861 O ILE A 140 7.451 8.789 1.958 1.00 0.48 O ATOM 1862 CB ILE A 140 7.323 7.360 -0.871 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.973 6.490 -1.959 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.160 8.166 -1.443 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.986 5.886 -2.937 1.00 1.12 C ATOM 0 H ILE A 140 9.917 7.134 -1.000 1.00 0.60 H new ATOM 0 HA ILE A 140 8.107 9.330 -0.506 1.00 0.52 H new ATOM 0 HB ILE A 140 6.940 6.690 -0.102 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.692 7.095 -2.511 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.533 5.686 -1.481 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.439 7.489 -1.902 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.675 8.724 -0.642 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.534 8.861 -2.194 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.523 5.287 -3.672 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.281 5.253 -2.398 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.443 6.683 -3.445 1.00 1.12 H new ATOM 1869 N MET A 141 9.146 7.316 1.854 1.00 0.47 N ATOM 1870 CA MET A 141 9.172 7.079 3.292 1.00 0.51 C ATOM 1871 C MET A 141 10.043 8.105 4.017 1.00 0.62 C ATOM 1872 O MET A 141 9.576 8.800 4.920 1.00 0.71 O ATOM 1873 CB MET A 141 9.676 5.665 3.585 1.00 0.51 C ATOM 1874 CG MET A 141 8.605 4.596 3.440 1.00 0.53 C ATOM 1875 SD MET A 141 7.812 4.617 1.819 1.00 1.02 S ATOM 1876 CE MET A 141 6.334 5.563 2.175 1.00 0.44 C ATOM 0 H MET A 141 9.838 6.785 1.326 1.00 0.47 H new ATOM 0 HA MET A 141 8.152 7.184 3.663 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.501 5.435 2.911 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.075 5.633 4.599 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.051 3.616 3.609 1.00 0.53 H new ATOM 0 HG3 MET A 141 7.848 4.739 4.212 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.538 5.266 1.492 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.020 5.375 3.202 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.543 6.625 2.049 1.00 0.44 H new ATOM 1886 N GLN A 142 11.316 8.178 3.631 1.00 0.66 N ATOM 1887 CA GLN A 142 12.258 9.101 4.261 1.00 0.79 C ATOM 1888 C GLN A 142 12.216 10.488 3.621 1.00 0.80 C ATOM 1889 O GLN A 142 12.343 11.499 4.311 1.00 0.85 O ATOM 1890 CB GLN A 142 13.677 8.539 4.182 1.00 0.90 C ATOM 1891 CG GLN A 142 14.673 9.269 5.068 1.00 1.34 C ATOM 1892 CD GLN A 142 15.879 8.419 5.413 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.201 8.223 6.585 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.555 7.909 4.390 1.00 1.85 N ATOM 0 H GLN A 142 11.718 7.610 2.886 1.00 0.66 H new ATOM 0 HA GLN A 142 11.961 9.207 5.304 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.658 7.486 4.463 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.020 8.587 3.149 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.005 10.176 4.564 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.177 9.579 5.988 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.253 8.097 3.434 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.377 7.329 4.560 1.00 1.85 H new ATOM 1901 N GLY A 143 12.054 10.531 2.302 1.00 0.79 N ATOM 1902 CA GLY A 143 12.017 11.803 1.594 1.00 0.84 C ATOM 1903 C GLY A 143 11.156 12.847 2.285 1.00 0.81 C ATOM 1904 O GLY A 143 11.415 14.046 2.170 1.00 1.05 O ATOM 0 H GLY A 143 11.947 9.708 1.708 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.033 12.186 1.495 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.639 11.639 0.585 1.00 0.84 H new ATOM 1908 N LEU A 144 10.134 12.395 3.002 1.00 0.75 N ATOM 1909 CA LEU A 144 9.240 13.303 3.712 1.00 0.72 C ATOM 1910 C LEU A 144 9.505 13.269 5.215 1.00 0.87 C ATOM 1911 O LEU A 144 9.217 14.231 5.926 1.00 1.01 O ATOM 1912 CB LEU A 144 7.780 12.942 3.429 1.00 0.62 C ATOM 1913 CG LEU A 144 7.414 12.843 1.948 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.552 11.411 1.461 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.001 13.354 1.712 1.00 0.81 C ATOM 0 H LEU A 144 9.904 11.407 3.107 1.00 0.75 H new ATOM 0 HA LEU A 144 9.432 14.314 3.353 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.558 11.988 3.907 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.139 13.690 3.897 1.00 0.62 H new ATOM 0 HG LEU A 144 8.104 13.467 1.380 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.288 11.359 0.405 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.582 11.079 1.594 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.886 10.766 2.034 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.758 13.276 0.652 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.297 12.757 2.291 1.00 0.81 H new ATOM 0 HD23 LEU A 144 5.934 14.396 2.024 1.00 0.81 H new ATOM 1921 N GLY A 145 10.055 12.157 5.692 1.00 0.91 N ATOM 1922 CA GLY A 145 10.347 12.024 7.107 1.00 1.11 C ATOM 1923 C GLY A 145 9.093 11.881 7.947 1.00 1.11 C ATOM 1924 O GLY A 145 8.637 12.845 8.562 1.00 1.24 O ATOM 0 H GLY A 145 10.303 11.347 5.125 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.986 11.155 7.263 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.908 12.896 7.443 1.00 1.11 H new ATOM 1928 N PHE A 146 8.534 10.677 7.971 1.00 1.15 N ATOM 1929 CA PHE A 146 7.324 10.412 8.741 1.00 1.25 C ATOM 1930 C PHE A 146 7.653 10.206 10.216 1.00 1.47 C ATOM 1931 O PHE A 146 7.036 10.821 11.083 1.00 99.99 O ATOM 1932 CB PHE A 146 6.602 9.181 8.190 1.00 1.63 C ATOM 1933 CG PHE A 146 6.300 9.263 6.719 1.00 1.09 C ATOM 1934 CD1 PHE A 146 5.957 10.472 6.131 1.00 1.15 C ATOM 1935 CD2 PHE A 146 6.355 8.129 5.923 1.00 1.74 C ATOM 1936 CE1 PHE A 146 5.677 10.548 4.780 1.00 1.15 C ATOM 1937 CE2 PHE A 146 6.076 8.200 4.572 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.736 9.410 4.000 1.00 0.93 C ATOM 0 H PHE A 146 8.899 9.869 7.467 1.00 1.15 H new ATOM 0 HA PHE A 146 6.669 11.278 8.651 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.214 8.298 8.377 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.669 9.044 8.736 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.908 11.365 6.737 1.00 1.15 H new ATOM 0 HD2 PHE A 146 6.619 7.179 6.364 1.00 1.74 H new ATOM 0 HE1 PHE A 146 5.412 11.496 4.335 1.00 1.15 H new ATOM 0 HE2 PHE A 146 6.124 7.309 3.963 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.517 9.466 2.944 1.00 0.93 H new