USER MOD reduce.3.24.130724 H: found=0, std=0, add=1440, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1430 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 72 ASN : amide:sc= -1.06 K(o=-3.4,f=-4.1!) USER MOD Set 1.2: B 71 GLN : amide:sc= -2.33! C(o=-3.4!,f=-4.6!) USER MOD Set 2.1: A 48 THR OG1 : rot 18:sc= -3.54! USER MOD Set 2.2: A 52 GLN : amide:sc= -0.0114 K(o=-2.7,f=-4.1!) USER MOD Set 2.3: B 29 SER OG : rot 172:sc= 0.86 USER MOD Set 3.1: A 29 SER OG : rot -91:sc= 0.989 USER MOD Set 3.2: B 48 THR OG1 : rot -100:sc= -2.72! USER MOD Set 3.3: B 52 GLN : amide:sc=-0.00501 K(o=-1.7,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.501) USER MOD Single : A 7 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.21) USER MOD Single : A 8 HIS :FLIP no HE2:sc= 0.131 F(o=-0.69,f=0.13) USER MOD Single : A 9 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= -0.0714 (180deg=-0.575) USER MOD Single : A 18 HIS :FLIP no HE2:sc= -1.89 F(o=-3.6!,f=-1.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 36:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.24) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.15! X(o=-1.2!,f=-0.96) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 143:sc= -0.0327 (180deg=-0.0698) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.511 F(o=-1.1,f=-0.51) USER MOD Single : A 60 THR OG1 : rot -104:sc= -0.15 USER MOD Single : A 62 GLN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.4) USER MOD Single : A 69 LYS NZ :NH3+ -139:sc=-0.00854 (180deg=-0.139) USER MOD Single : A 71 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3.5!) USER MOD Single : A 77 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 78 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.13) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.506) USER MOD Single : B 7 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : B 8 HIS :FLIP no HE2:sc= 0.142 F(o=-0.72,f=0.14) USER MOD Single : B 9 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : B 14 LYS NZ :NH3+ 146:sc= -0.0648 (180deg=-0.646) USER MOD Single : B 18 HIS :FLIP no HD1:sc= -0.802 F(o=-2.2,f=-0.8) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 170:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 40:sc= 0.938! USER MOD Single : B 34 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.24) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -1.38! X(o=-1.4!,f=-0.98) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS :FLIP no HD1:sc= -0.428 F(o=-0.99,f=-0.43) USER MOD Single : B 60 THR OG1 : rot -106:sc= -0.15 USER MOD Single : B 62 GLN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : B 63 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.57) USER MOD Single : B 69 LYS NZ :NH3+ -137:sc=-0.00238 (180deg=-0.129) USER MOD Single : B 72 ASN :FLIP amide:sc= -3.97 F(o=-6.6!,f=-4) USER MOD Single : B 77 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : B 78 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.19) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 95.987 0.831 11.591 1.00 2.45 N ATOM 2 CA MET A 1 95.797 2.063 10.773 1.00 2.29 C ATOM 3 C MET A 1 96.957 3.036 11.004 1.00 2.32 C ATOM 4 O MET A 1 97.796 3.231 10.147 1.00 2.74 O ATOM 5 CB MET A 1 94.483 2.669 11.266 1.00 2.36 C ATOM 6 CG MET A 1 93.332 2.174 10.388 1.00 2.59 C ATOM 7 SD MET A 1 93.149 3.270 8.959 1.00 3.07 S ATOM 8 CE MET A 1 91.452 3.799 9.295 1.00 3.41 C ATOM 0 H1 MET A 1 95.194 0.179 11.426 1.00 2.45 H new ATOM 0 H2 MET A 1 96.878 0.368 11.320 1.00 2.45 H new ATOM 0 H3 MET A 1 96.022 1.085 12.599 1.00 2.45 H new ATOM 0 HA MET A 1 95.771 1.848 9.705 1.00 2.29 H new ATOM 0 HB2 MET A 1 94.308 2.389 12.305 1.00 2.36 H new ATOM 0 HB3 MET A 1 94.537 3.757 11.234 1.00 2.36 H new ATOM 0 HG2 MET A 1 93.527 1.154 10.055 1.00 2.59 H new ATOM 0 HG3 MET A 1 92.406 2.150 10.963 1.00 2.59 H new ATOM 0 HE1 MET A 1 91.128 4.495 8.521 1.00 3.41 H new ATOM 0 HE2 MET A 1 90.794 2.930 9.301 1.00 3.41 H new ATOM 0 HE3 MET A 1 91.410 4.292 10.266 1.00 3.41 H new ATOM 20 N ALA A 2 97.011 3.649 12.155 1.00 2.12 N ATOM 21 CA ALA A 2 98.116 4.609 12.438 1.00 2.34 C ATOM 22 C ALA A 2 98.781 4.274 13.776 1.00 2.20 C ATOM 23 O ALA A 2 98.598 3.204 14.320 1.00 2.84 O ATOM 24 CB ALA A 2 97.444 5.980 12.502 1.00 2.60 C ATOM 0 H ALA A 2 96.338 3.527 12.912 1.00 2.12 H new ATOM 0 HA ALA A 2 98.897 4.573 11.679 1.00 2.34 H new ATOM 0 HB1 ALA A 2 98.194 6.744 12.708 1.00 2.60 H new ATOM 0 HB2 ALA A 2 96.961 6.193 11.548 1.00 2.60 H new ATOM 0 HB3 ALA A 2 96.697 5.982 13.296 1.00 2.60 H new ATOM 30 N ASP A 3 99.551 5.183 14.308 1.00 1.81 N ATOM 31 CA ASP A 3 100.228 4.920 15.610 1.00 1.74 C ATOM 32 C ASP A 3 101.254 3.793 15.455 1.00 1.64 C ATOM 33 O ASP A 3 101.755 3.259 16.424 1.00 1.77 O ATOM 34 CB ASP A 3 99.108 4.499 16.562 1.00 1.91 C ATOM 35 CG ASP A 3 99.571 4.680 18.008 1.00 2.04 C ATOM 36 OD1 ASP A 3 100.033 5.763 18.330 1.00 2.23 O ATOM 37 OD2 ASP A 3 99.456 3.734 18.769 1.00 2.54 O ATOM 0 H ASP A 3 99.741 6.097 13.897 1.00 1.81 H new ATOM 0 HA ASP A 3 100.768 5.792 15.978 1.00 1.74 H new ATOM 0 HB2 ASP A 3 98.216 5.097 16.377 1.00 1.91 H new ATOM 0 HB3 ASP A 3 98.837 3.458 16.384 1.00 1.91 H new ATOM 42 N LYS A 4 101.569 3.430 14.241 1.00 1.62 N ATOM 43 CA LYS A 4 102.563 2.339 14.025 1.00 1.65 C ATOM 44 C LYS A 4 102.306 1.188 15.002 1.00 1.60 C ATOM 45 O LYS A 4 102.980 1.049 16.003 1.00 1.85 O ATOM 46 CB LYS A 4 103.922 2.982 14.297 1.00 2.00 C ATOM 47 CG LYS A 4 104.870 2.689 13.132 1.00 2.28 C ATOM 48 CD LYS A 4 105.446 4.002 12.600 1.00 2.36 C ATOM 49 CE LYS A 4 105.383 4.006 11.071 1.00 2.84 C ATOM 50 NZ LYS A 4 106.250 2.870 10.648 1.00 2.98 N ATOM 0 H LYS A 4 101.182 3.840 13.391 1.00 1.62 H new ATOM 0 HA LYS A 4 102.505 1.920 13.020 1.00 1.65 H new ATOM 0 HB2 LYS A 4 103.808 4.058 14.424 1.00 2.00 H new ATOM 0 HB3 LYS A 4 104.340 2.594 15.226 1.00 2.00 H new ATOM 0 HG2 LYS A 4 105.676 2.033 13.461 1.00 2.28 H new ATOM 0 HG3 LYS A 4 104.337 2.165 12.338 1.00 2.28 H new ATOM 0 HD2 LYS A 4 104.884 4.846 13.000 1.00 2.36 H new ATOM 0 HD3 LYS A 4 106.477 4.120 12.932 1.00 2.36 H new ATOM 0 HE2 LYS A 4 104.360 3.875 10.717 1.00 2.84 H new ATOM 0 HE3 LYS A 4 105.743 4.951 10.663 1.00 2.84 H new ATOM 0 HZ1 LYS A 4 106.603 3.043 9.685 1.00 2.98 H new ATOM 0 HZ2 LYS A 4 107.054 2.785 11.302 1.00 2.98 H new ATOM 0 HZ3 LYS A 4 105.698 1.989 10.661 1.00 2.98 H new ATOM 64 N ARG A 5 101.336 0.363 14.718 1.00 1.49 N ATOM 65 CA ARG A 5 101.034 -0.777 15.631 1.00 1.56 C ATOM 66 C ARG A 5 102.220 -1.745 15.680 1.00 1.50 C ATOM 67 O ARG A 5 102.251 -2.738 14.980 1.00 1.88 O ATOM 68 CB ARG A 5 99.811 -1.459 15.017 1.00 1.67 C ATOM 69 CG ARG A 5 98.933 -2.032 16.131 1.00 1.78 C ATOM 70 CD ARG A 5 98.280 -3.329 15.649 1.00 1.72 C ATOM 71 NE ARG A 5 97.299 -3.682 16.712 1.00 2.00 N ATOM 72 CZ ARG A 5 96.020 -3.556 16.487 1.00 2.16 C ATOM 73 NH1 ARG A 5 95.506 -4.005 15.375 1.00 2.54 N ATOM 74 NH2 ARG A 5 95.255 -2.979 17.374 1.00 2.66 N ATOM 0 H ARG A 5 100.739 0.428 13.893 1.00 1.49 H new ATOM 0 HA ARG A 5 100.850 -0.450 16.654 1.00 1.56 H new ATOM 0 HB2 ARG A 5 99.242 -0.743 14.423 1.00 1.67 H new ATOM 0 HB3 ARG A 5 100.126 -2.255 14.342 1.00 1.67 H new ATOM 0 HG2 ARG A 5 99.534 -2.223 17.020 1.00 1.78 H new ATOM 0 HG3 ARG A 5 98.167 -1.310 16.413 1.00 1.78 H new ATOM 0 HD2 ARG A 5 97.787 -3.189 14.687 1.00 1.72 H new ATOM 0 HD3 ARG A 5 99.020 -4.118 15.516 1.00 1.72 H new ATOM 0 HE ARG A 5 97.627 -4.022 17.616 1.00 2.00 H new ATOM 0 HH11 ARG A 5 96.104 -4.454 14.682 1.00 2.54 H new ATOM 0 HH12 ARG A 5 94.506 -3.907 15.199 1.00 2.54 H new ATOM 0 HH21 ARG A 5 95.657 -2.627 18.243 1.00 2.66 H new ATOM 0 HH22 ARG A 5 94.255 -2.880 17.198 1.00 2.66 H new ATOM 88 N ALA A 6 103.195 -1.463 16.502 1.00 1.34 N ATOM 89 CA ALA A 6 104.379 -2.365 16.598 1.00 1.36 C ATOM 90 C ALA A 6 104.799 -2.840 15.204 1.00 1.27 C ATOM 91 O ALA A 6 104.748 -2.098 14.243 1.00 1.35 O ATOM 92 CB ALA A 6 103.909 -3.546 17.448 1.00 1.53 C ATOM 0 H ALA A 6 103.223 -0.646 17.112 1.00 1.34 H new ATOM 0 HA ALA A 6 105.243 -1.866 17.036 1.00 1.36 H new ATOM 0 HB1 ALA A 6 104.726 -4.258 17.566 1.00 1.53 H new ATOM 0 HB2 ALA A 6 103.596 -3.187 18.429 1.00 1.53 H new ATOM 0 HB3 ALA A 6 103.069 -4.036 16.957 1.00 1.53 H new ATOM 98 N HIS A 7 105.212 -4.073 15.086 1.00 1.32 N ATOM 99 CA HIS A 7 105.631 -4.598 13.754 1.00 1.38 C ATOM 100 C HIS A 7 106.745 -3.729 13.165 1.00 1.35 C ATOM 101 O HIS A 7 107.037 -2.657 13.657 1.00 1.61 O ATOM 102 CB HIS A 7 104.376 -4.520 12.884 1.00 1.71 C ATOM 103 CG HIS A 7 103.307 -5.403 13.467 1.00 2.06 C ATOM 104 ND1 HIS A 7 103.606 -6.571 14.151 1.00 2.63 N ATOM 105 CD2 HIS A 7 101.938 -5.303 13.475 1.00 2.40 C ATOM 106 CE1 HIS A 7 102.441 -7.122 14.539 1.00 3.07 C ATOM 107 NE2 HIS A 7 101.393 -6.389 14.153 1.00 2.94 N ATOM 0 H HIS A 7 105.277 -4.740 15.855 1.00 1.32 H new ATOM 0 HA HIS A 7 106.022 -5.613 13.818 1.00 1.38 H new ATOM 0 HB2 HIS A 7 104.022 -3.491 12.829 1.00 1.71 H new ATOM 0 HB3 HIS A 7 104.606 -4.833 11.866 1.00 1.71 H new ATOM 0 HD2 HIS A 7 101.370 -4.503 13.024 1.00 2.40 H new ATOM 0 HE1 HIS A 7 102.363 -8.045 15.095 1.00 3.07 H new ATOM 0 HE2 HIS A 7 100.406 -6.584 14.319 1.00 2.94 H new ATOM 115 N HIS A 8 107.367 -4.184 12.112 1.00 1.40 N ATOM 116 CA HIS A 8 108.461 -3.387 11.488 1.00 1.60 C ATOM 117 C HIS A 8 108.478 -3.612 9.973 1.00 1.52 C ATOM 118 O HIS A 8 108.304 -4.717 9.498 1.00 1.80 O ATOM 119 CB HIS A 8 109.748 -3.914 12.123 1.00 1.93 C ATOM 120 CG HIS A 8 110.437 -2.797 12.858 1.00 2.50 C ATOM 121 ND1 HIS A 8 109.956 -1.800 13.671 1.00 3.24 N flip ATOM 122 CD2 HIS A 8 111.809 -2.610 12.802 1.00 2.90 C flip ATOM 123 CE1 HIS A 8 111.010 -1.006 14.112 1.00 3.73 C flip ATOM 124 NE2 HIS A 8 112.104 -1.538 13.560 1.00 3.56 N flip ATOM 0 H HIS A 8 107.165 -5.074 11.656 1.00 1.40 H new ATOM 0 HA HIS A 8 108.337 -2.316 11.650 1.00 1.60 H new ATOM 0 HB2 HIS A 8 109.520 -4.730 12.809 1.00 1.93 H new ATOM 0 HB3 HIS A 8 110.406 -4.319 11.354 1.00 1.93 H new ATOM 0 HD1 HIS A 8 108.975 -1.663 13.914 1.00 3.24 H new ATOM 0 HD2 HIS A 8 112.513 -3.215 12.250 1.00 2.90 H new ATOM 0 HE1 HIS A 8 110.955 -0.145 14.761 1.00 3.73 H new ATOM 132 N ASN A 9 108.683 -2.573 9.212 1.00 1.44 N ATOM 133 CA ASN A 9 108.709 -2.728 7.729 1.00 1.70 C ATOM 134 C ASN A 9 109.595 -1.649 7.101 1.00 1.62 C ATOM 135 O ASN A 9 109.716 -0.555 7.615 1.00 2.23 O ATOM 136 CB ASN A 9 107.255 -2.552 7.288 1.00 2.15 C ATOM 137 CG ASN A 9 106.802 -3.791 6.515 1.00 2.58 C ATOM 138 OD1 ASN A 9 107.592 -4.428 5.847 1.00 3.06 O ATOM 139 ND2 ASN A 9 105.552 -4.162 6.576 1.00 2.89 N ATOM 0 H ASN A 9 108.834 -1.623 9.552 1.00 1.44 H new ATOM 0 HA ASN A 9 109.115 -3.691 7.420 1.00 1.70 H new ATOM 0 HB2 ASN A 9 106.616 -2.399 8.158 1.00 2.15 H new ATOM 0 HB3 ASN A 9 107.159 -1.665 6.662 1.00 2.15 H new ATOM 0 HD21 ASN A 9 105.239 -4.986 6.063 1.00 2.89 H new ATOM 0 HD22 ASN A 9 104.888 -3.628 7.137 1.00 2.89 H new ATOM 146 N ALA A 10 110.215 -1.949 5.992 1.00 1.59 N ATOM 147 CA ALA A 10 111.091 -0.939 5.332 1.00 1.61 C ATOM 148 C ALA A 10 110.505 -0.537 3.976 1.00 1.50 C ATOM 149 O ALA A 10 110.912 -1.028 2.943 1.00 1.59 O ATOM 150 CB ALA A 10 112.436 -1.642 5.148 1.00 1.68 C ATOM 0 H ALA A 10 110.153 -2.848 5.515 1.00 1.59 H new ATOM 0 HA ALA A 10 111.185 -0.026 5.920 1.00 1.61 H new ATOM 0 HB1 ALA A 10 113.139 -0.962 4.666 1.00 1.68 H new ATOM 0 HB2 ALA A 10 112.827 -1.939 6.121 1.00 1.68 H new ATOM 0 HB3 ALA A 10 112.302 -2.526 4.525 1.00 1.68 H new ATOM 156 N LEU A 11 109.550 0.353 3.973 1.00 1.61 N ATOM 157 CA LEU A 11 108.937 0.786 2.684 1.00 1.72 C ATOM 158 C LEU A 11 109.638 2.042 2.159 1.00 1.71 C ATOM 159 O LEU A 11 109.094 2.781 1.363 1.00 2.14 O ATOM 160 CB LEU A 11 107.477 1.089 3.023 1.00 2.07 C ATOM 161 CG LEU A 11 106.637 1.050 1.746 1.00 2.19 C ATOM 162 CD1 LEU A 11 105.472 0.077 1.931 1.00 2.79 C ATOM 163 CD2 LEU A 11 106.090 2.449 1.455 1.00 2.38 C ATOM 0 H LEU A 11 109.168 0.799 4.807 1.00 1.61 H new ATOM 0 HA LEU A 11 109.027 0.026 1.908 1.00 1.72 H new ATOM 0 HB2 LEU A 11 107.101 0.360 3.741 1.00 2.07 H new ATOM 0 HB3 LEU A 11 107.398 2.069 3.493 1.00 2.07 H new ATOM 0 HG LEU A 11 107.257 0.720 0.913 1.00 2.19 H new ATOM 0 HD11 LEU A 11 104.873 0.049 1.021 1.00 2.79 H new ATOM 0 HD12 LEU A 11 105.860 -0.920 2.141 1.00 2.79 H new ATOM 0 HD13 LEU A 11 104.851 0.407 2.764 1.00 2.79 H new ATOM 0 HD21 LEU A 11 105.491 2.423 0.545 1.00 2.38 H new ATOM 0 HD22 LEU A 11 105.470 2.778 2.289 1.00 2.38 H new ATOM 0 HD23 LEU A 11 106.919 3.144 1.324 1.00 2.38 H new ATOM 175 N GLU A 12 110.842 2.289 2.599 1.00 1.83 N ATOM 176 CA GLU A 12 111.576 3.497 2.125 1.00 1.97 C ATOM 177 C GLU A 12 113.081 3.215 2.069 1.00 2.02 C ATOM 178 O GLU A 12 113.833 3.639 2.923 1.00 2.70 O ATOM 179 CB GLU A 12 111.271 4.578 3.162 1.00 2.42 C ATOM 180 CG GLU A 12 111.742 4.110 4.541 1.00 3.00 C ATOM 181 CD GLU A 12 110.527 3.774 5.408 1.00 3.42 C ATOM 182 OE1 GLU A 12 110.028 4.671 6.067 1.00 3.60 O ATOM 183 OE2 GLU A 12 110.118 2.625 5.399 1.00 4.04 O ATOM 0 H GLU A 12 111.349 1.707 3.266 1.00 1.83 H new ATOM 0 HA GLU A 12 111.273 3.797 1.122 1.00 1.97 H new ATOM 0 HB2 GLU A 12 111.771 5.508 2.891 1.00 2.42 H new ATOM 0 HB3 GLU A 12 110.201 4.786 3.183 1.00 2.42 H new ATOM 0 HG2 GLU A 12 112.384 3.235 4.440 1.00 3.00 H new ATOM 0 HG3 GLU A 12 112.338 4.889 5.017 1.00 3.00 H new ATOM 190 N ARG A 13 113.523 2.502 1.070 1.00 1.94 N ATOM 191 CA ARG A 13 114.979 2.192 0.960 1.00 2.19 C ATOM 192 C ARG A 13 115.809 3.456 1.207 1.00 1.89 C ATOM 193 O ARG A 13 116.486 3.579 2.209 1.00 1.90 O ATOM 194 CB ARG A 13 115.167 1.693 -0.473 1.00 2.53 C ATOM 195 CG ARG A 13 116.464 0.888 -0.570 1.00 2.35 C ATOM 196 CD ARG A 13 116.277 -0.257 -1.568 1.00 2.68 C ATOM 197 NE ARG A 13 117.650 -0.773 -1.824 1.00 2.49 N ATOM 198 CZ ARG A 13 117.897 -1.460 -2.905 1.00 2.49 C ATOM 199 NH1 ARG A 13 116.947 -2.156 -3.467 1.00 2.67 N ATOM 200 NH2 ARG A 13 119.093 -1.450 -3.426 1.00 2.77 N ATOM 0 H ARG A 13 112.940 2.120 0.325 1.00 1.94 H new ATOM 0 HA ARG A 13 115.304 1.454 1.694 1.00 2.19 H new ATOM 0 HB2 ARG A 13 114.320 1.073 -0.767 1.00 2.53 H new ATOM 0 HB3 ARG A 13 115.199 2.537 -1.162 1.00 2.53 H new ATOM 0 HG2 ARG A 13 117.283 1.533 -0.889 1.00 2.35 H new ATOM 0 HG3 ARG A 13 116.733 0.492 0.409 1.00 2.35 H new ATOM 0 HD2 ARG A 13 115.633 -1.035 -1.159 1.00 2.68 H new ATOM 0 HD3 ARG A 13 115.809 0.094 -2.488 1.00 2.68 H new ATOM 0 HE ARG A 13 118.397 -0.589 -1.154 1.00 2.49 H new ATOM 0 HH11 ARG A 13 116.011 -2.163 -3.061 1.00 2.67 H new ATOM 0 HH12 ARG A 13 117.140 -2.693 -4.312 1.00 2.67 H new ATOM 0 HH21 ARG A 13 119.836 -0.905 -2.988 1.00 2.77 H new ATOM 0 HH22 ARG A 13 119.286 -1.987 -4.271 1.00 2.77 H new ATOM 214 N LYS A 14 115.759 4.398 0.305 1.00 2.07 N ATOM 215 CA LYS A 14 116.542 5.654 0.492 1.00 1.90 C ATOM 216 C LYS A 14 118.046 5.359 0.474 1.00 1.90 C ATOM 217 O LYS A 14 118.498 4.424 -0.157 1.00 2.59 O ATOM 218 CB LYS A 14 116.113 6.185 1.860 1.00 2.07 C ATOM 219 CG LYS A 14 116.255 7.709 1.883 1.00 2.41 C ATOM 220 CD LYS A 14 114.876 8.349 2.046 1.00 2.92 C ATOM 221 CE LYS A 14 114.685 8.786 3.500 1.00 3.12 C ATOM 222 NZ LYS A 14 115.575 9.968 3.665 1.00 3.44 N ATOM 0 H LYS A 14 115.210 4.353 -0.553 1.00 2.07 H new ATOM 0 HA LYS A 14 116.357 6.376 -0.304 1.00 1.90 H new ATOM 0 HB2 LYS A 14 115.080 5.902 2.064 1.00 2.07 H new ATOM 0 HB3 LYS A 14 116.726 5.740 2.643 1.00 2.07 H new ATOM 0 HG2 LYS A 14 116.907 8.011 2.703 1.00 2.41 H new ATOM 0 HG3 LYS A 14 116.721 8.055 0.961 1.00 2.41 H new ATOM 0 HD2 LYS A 14 114.781 9.208 1.382 1.00 2.92 H new ATOM 0 HD3 LYS A 14 114.098 7.640 1.763 1.00 2.92 H new ATOM 0 HE2 LYS A 14 113.645 9.043 3.702 1.00 3.12 H new ATOM 0 HE3 LYS A 14 114.956 7.988 4.191 1.00 3.12 H new ATOM 0 HZ1 LYS A 14 116.328 9.743 4.347 1.00 3.44 H new ATOM 0 HZ2 LYS A 14 116.000 10.213 2.748 1.00 3.44 H new ATOM 0 HZ3 LYS A 14 115.020 10.774 4.016 1.00 3.44 H new ATOM 236 N ARG A 15 118.823 6.153 1.161 1.00 1.74 N ATOM 237 CA ARG A 15 120.300 5.925 1.183 1.00 1.89 C ATOM 238 C ARG A 15 120.778 5.753 2.628 1.00 1.87 C ATOM 239 O ARG A 15 121.922 5.430 2.881 1.00 2.41 O ATOM 240 CB ARG A 15 120.935 7.185 0.567 1.00 2.34 C ATOM 241 CG ARG A 15 119.971 7.862 -0.418 1.00 2.53 C ATOM 242 CD ARG A 15 119.767 6.968 -1.643 1.00 2.70 C ATOM 243 NE ARG A 15 118.402 7.305 -2.137 1.00 3.04 N ATOM 244 CZ ARG A 15 118.256 8.100 -3.163 1.00 2.97 C ATOM 245 NH1 ARG A 15 118.899 9.235 -3.207 1.00 3.43 N ATOM 246 NH2 ARG A 15 117.464 7.760 -4.144 1.00 2.96 N ATOM 0 H ARG A 15 118.500 6.951 1.709 1.00 1.74 H new ATOM 0 HA ARG A 15 120.576 5.027 0.630 1.00 1.89 H new ATOM 0 HB2 ARG A 15 121.203 7.885 1.358 1.00 2.34 H new ATOM 0 HB3 ARG A 15 121.858 6.917 0.052 1.00 2.34 H new ATOM 0 HG2 ARG A 15 119.014 8.052 0.068 1.00 2.53 H new ATOM 0 HG3 ARG A 15 120.370 8.829 -0.725 1.00 2.53 H new ATOM 0 HD2 ARG A 15 120.522 7.162 -2.405 1.00 2.70 H new ATOM 0 HD3 ARG A 15 119.843 5.913 -1.380 1.00 2.70 H new ATOM 0 HE ARG A 15 117.581 6.915 -1.674 1.00 3.04 H new ATOM 0 HH11 ARG A 15 119.516 9.502 -2.440 1.00 3.43 H new ATOM 0 HH12 ARG A 15 118.784 9.855 -4.009 1.00 3.43 H new ATOM 0 HH21 ARG A 15 116.960 6.874 -4.109 1.00 2.96 H new ATOM 0 HH22 ARG A 15 117.350 8.380 -4.945 1.00 2.96 H new ATOM 260 N ARG A 16 119.911 5.978 3.576 1.00 1.81 N ATOM 261 CA ARG A 16 120.305 5.843 5.009 1.00 1.97 C ATOM 262 C ARG A 16 121.021 4.512 5.259 1.00 2.05 C ATOM 263 O ARG A 16 121.914 4.426 6.077 1.00 2.69 O ATOM 264 CB ARG A 16 118.986 5.891 5.781 1.00 2.44 C ATOM 265 CG ARG A 16 119.270 6.011 7.279 1.00 2.72 C ATOM 266 CD ARG A 16 118.414 7.132 7.873 1.00 2.92 C ATOM 267 NE ARG A 16 117.562 6.465 8.896 1.00 3.02 N ATOM 268 CZ ARG A 16 116.271 6.393 8.724 1.00 3.06 C ATOM 269 NH1 ARG A 16 115.556 7.484 8.679 1.00 3.27 N ATOM 270 NH2 ARG A 16 115.693 5.229 8.596 1.00 3.47 N ATOM 0 H ARG A 16 118.941 6.251 3.420 1.00 1.81 H new ATOM 0 HA ARG A 16 120.997 6.627 5.316 1.00 1.97 H new ATOM 0 HB2 ARG A 16 118.388 6.738 5.445 1.00 2.44 H new ATOM 0 HB3 ARG A 16 118.404 4.991 5.582 1.00 2.44 H new ATOM 0 HG2 ARG A 16 119.050 5.067 7.778 1.00 2.72 H new ATOM 0 HG3 ARG A 16 120.327 6.220 7.444 1.00 2.72 H new ATOM 0 HD2 ARG A 16 119.035 7.908 8.321 1.00 2.92 H new ATOM 0 HD3 ARG A 16 117.807 7.613 7.106 1.00 2.92 H new ATOM 0 HE ARG A 16 117.988 6.064 9.732 1.00 3.02 H new ATOM 0 HH11 ARG A 16 116.007 8.394 8.778 1.00 3.27 H new ATOM 0 HH12 ARG A 16 114.547 7.427 8.544 1.00 3.27 H new ATOM 0 HH21 ARG A 16 116.251 4.376 8.631 1.00 3.47 H new ATOM 0 HH22 ARG A 16 114.683 5.173 8.462 1.00 3.47 H new ATOM 284 N ASP A 17 120.633 3.473 4.576 1.00 1.99 N ATOM 285 CA ASP A 17 121.292 2.153 4.798 1.00 2.34 C ATOM 286 C ASP A 17 122.387 1.907 3.756 1.00 2.60 C ATOM 287 O ASP A 17 123.109 0.932 3.825 1.00 3.25 O ATOM 288 CB ASP A 17 120.169 1.126 4.642 1.00 2.49 C ATOM 289 CG ASP A 17 120.665 -0.248 5.096 1.00 3.12 C ATOM 290 OD1 ASP A 17 121.545 -0.784 4.444 1.00 3.81 O ATOM 291 OD2 ASP A 17 120.154 -0.742 6.088 1.00 3.27 O ATOM 0 H ASP A 17 119.891 3.478 3.876 1.00 1.99 H new ATOM 0 HA ASP A 17 121.775 2.098 5.774 1.00 2.34 H new ATOM 0 HB2 ASP A 17 119.304 1.425 5.233 1.00 2.49 H new ATOM 0 HB3 ASP A 17 119.845 1.082 3.602 1.00 2.49 H new ATOM 296 N HIS A 18 122.514 2.769 2.785 1.00 2.60 N ATOM 297 CA HIS A 18 123.557 2.556 1.740 1.00 3.03 C ATOM 298 C HIS A 18 124.971 2.602 2.341 1.00 2.23 C ATOM 299 O HIS A 18 125.558 1.574 2.624 1.00 2.28 O ATOM 300 CB HIS A 18 123.352 3.679 0.725 1.00 3.90 C ATOM 301 CG HIS A 18 123.291 3.091 -0.658 1.00 4.69 C ATOM 302 ND1 HIS A 18 124.267 2.843 -1.592 1.00 5.21 N flip ATOM 303 CD2 HIS A 18 122.102 2.669 -1.232 1.00 5.45 C flip ATOM 304 CE1 HIS A 18 123.695 2.275 -2.727 1.00 6.12 C flip ATOM 305 NE2 HIS A 18 122.390 2.193 -2.457 1.00 6.29 N flip ATOM 0 H HIS A 18 121.945 3.607 2.669 1.00 2.60 H new ATOM 0 HA HIS A 18 123.463 1.573 1.278 1.00 3.03 H new ATOM 0 HB2 HIS A 18 122.431 4.220 0.944 1.00 3.90 H new ATOM 0 HB3 HIS A 18 124.168 4.399 0.791 1.00 3.90 H new ATOM 0 HD1 HIS A 18 125.260 3.044 -1.472 1.00 5.21 H new ATOM 0 HD2 HIS A 18 121.123 2.714 -0.779 1.00 5.45 H new ATOM 0 HE1 HIS A 18 124.199 1.967 -3.631 1.00 6.12 H new ATOM 313 N ILE A 19 125.543 3.768 2.527 1.00 1.72 N ATOM 314 CA ILE A 19 126.927 3.809 3.088 1.00 1.09 C ATOM 315 C ILE A 19 126.965 3.178 4.476 1.00 0.98 C ATOM 316 O ILE A 19 127.787 2.331 4.732 1.00 1.27 O ATOM 317 CB ILE A 19 127.372 5.276 3.137 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.313 6.171 3.784 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.645 5.768 1.719 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.730 7.630 3.580 1.00 1.40 C ATOM 0 H ILE A 19 125.121 4.673 2.319 1.00 1.72 H new ATOM 0 HA ILE A 19 127.607 3.236 2.458 1.00 1.09 H new ATOM 0 HB ILE A 19 128.276 5.331 3.743 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.336 5.989 3.336 1.00 1.49 H new ATOM 0 HG13 ILE A 19 126.223 5.946 4.847 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.962 6.811 1.750 1.00 1.01 H new ATOM 0 HG22 ILE A 19 128.432 5.163 1.269 1.00 1.01 H new ATOM 0 HG23 ILE A 19 126.736 5.682 1.123 1.00 1.01 H new ATOM 0 HD11 ILE A 19 125.988 8.287 4.034 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.700 7.800 4.047 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.799 7.843 2.513 1.00 1.40 H new ATOM 332 N LYS A 20 126.094 3.575 5.370 1.00 1.14 N ATOM 333 CA LYS A 20 126.103 2.967 6.742 1.00 1.56 C ATOM 334 C LYS A 20 126.461 1.483 6.653 1.00 1.34 C ATOM 335 O LYS A 20 127.497 1.062 7.127 1.00 1.27 O ATOM 336 CB LYS A 20 124.686 3.124 7.276 1.00 2.22 C ATOM 337 CG LYS A 20 124.428 4.590 7.628 1.00 2.75 C ATOM 338 CD LYS A 20 123.837 4.677 9.036 1.00 3.61 C ATOM 339 CE LYS A 20 122.474 5.371 8.979 1.00 4.17 C ATOM 340 NZ LYS A 20 122.785 6.827 8.950 1.00 4.71 N ATOM 0 H LYS A 20 125.381 4.288 5.214 1.00 1.14 H new ATOM 0 HA LYS A 20 126.835 3.449 7.390 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.966 2.787 6.530 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.548 2.498 8.158 1.00 2.22 H new ATOM 0 HG2 LYS A 20 125.357 5.157 7.576 1.00 2.75 H new ATOM 0 HG3 LYS A 20 123.743 5.034 6.906 1.00 2.75 H new ATOM 0 HD2 LYS A 20 123.730 3.678 9.459 1.00 3.61 H new ATOM 0 HD3 LYS A 20 124.511 5.230 9.691 1.00 3.61 H new ATOM 0 HE2 LYS A 20 121.914 5.069 8.094 1.00 4.17 H new ATOM 0 HE3 LYS A 20 121.864 5.115 9.845 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 121.899 7.370 8.911 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 123.312 7.086 9.808 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 123.361 7.042 8.111 1.00 4.71 H new ATOM 354 N ASP A 21 125.628 0.687 6.026 1.00 1.44 N ATOM 355 CA ASP A 21 125.967 -0.757 5.895 1.00 1.43 C ATOM 356 C ASP A 21 127.422 -0.858 5.445 1.00 1.20 C ATOM 357 O ASP A 21 128.205 -1.613 5.986 1.00 1.26 O ATOM 358 CB ASP A 21 125.028 -1.307 4.822 1.00 1.76 C ATOM 359 CG ASP A 21 124.448 -2.644 5.288 1.00 2.21 C ATOM 360 OD1 ASP A 21 125.147 -3.358 5.989 1.00 2.74 O ATOM 361 OD2 ASP A 21 123.317 -2.932 4.935 1.00 2.76 O ATOM 0 H ASP A 21 124.743 0.972 5.607 1.00 1.44 H new ATOM 0 HA ASP A 21 125.853 -1.313 6.825 1.00 1.43 H new ATOM 0 HB2 ASP A 21 124.224 -0.597 4.629 1.00 1.76 H new ATOM 0 HB3 ASP A 21 125.568 -1.440 3.884 1.00 1.76 H new ATOM 366 N SER A 22 127.794 -0.063 4.477 1.00 1.03 N ATOM 367 CA SER A 22 129.205 -0.070 4.010 1.00 0.91 C ATOM 368 C SER A 22 130.106 0.382 5.160 1.00 0.85 C ATOM 369 O SER A 22 131.081 -0.261 5.482 1.00 0.89 O ATOM 370 CB SER A 22 129.252 0.933 2.858 1.00 0.82 C ATOM 371 OG SER A 22 129.330 0.229 1.626 1.00 1.64 O ATOM 0 H SER A 22 127.179 0.590 3.991 1.00 1.03 H new ATOM 0 HA SER A 22 129.544 -1.055 3.688 1.00 0.91 H new ATOM 0 HB2 SER A 22 128.364 1.564 2.874 1.00 0.82 H new ATOM 0 HB3 SER A 22 130.113 1.592 2.969 1.00 0.82 H new ATOM 0 HG SER A 22 129.359 0.869 0.885 1.00 1.64 H new ATOM 377 N PHE A 23 129.773 1.478 5.794 1.00 0.85 N ATOM 378 CA PHE A 23 130.598 1.956 6.936 1.00 0.87 C ATOM 379 C PHE A 23 130.851 0.790 7.889 1.00 0.89 C ATOM 380 O PHE A 23 131.973 0.373 8.093 1.00 0.90 O ATOM 381 CB PHE A 23 129.750 3.013 7.643 1.00 0.95 C ATOM 382 CG PHE A 23 129.800 4.335 6.911 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.539 4.489 5.728 1.00 1.67 C ATOM 384 CD2 PHE A 23 129.086 5.421 7.426 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.552 5.726 5.080 1.00 1.93 C ATOM 386 CE2 PHE A 23 129.099 6.649 6.771 1.00 1.84 C ATOM 387 CZ PHE A 23 129.830 6.801 5.598 1.00 1.66 C ATOM 0 H PHE A 23 128.966 2.059 5.568 1.00 0.85 H new ATOM 0 HA PHE A 23 131.558 2.356 6.611 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.718 2.670 7.709 1.00 0.95 H new ATOM 0 HB3 PHE A 23 130.107 3.146 8.664 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.094 3.656 5.321 1.00 1.67 H new ATOM 0 HD2 PHE A 23 128.520 5.306 8.339 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.124 5.851 4.173 1.00 1.93 H new ATOM 0 HE2 PHE A 23 128.542 7.482 7.173 1.00 1.84 H new ATOM 0 HZ PHE A 23 129.839 7.753 5.087 1.00 1.66 H new ATOM 397 N HIS A 24 129.807 0.257 8.474 1.00 0.97 N ATOM 398 CA HIS A 24 129.986 -0.889 9.413 1.00 1.05 C ATOM 399 C HIS A 24 130.997 -1.878 8.829 1.00 0.96 C ATOM 400 O HIS A 24 131.964 -2.241 9.467 1.00 0.98 O ATOM 401 CB HIS A 24 128.604 -1.533 9.528 1.00 1.21 C ATOM 402 CG HIS A 24 128.277 -1.764 10.979 1.00 1.53 C ATOM 403 ND1 HIS A 24 128.585 -2.950 11.626 1.00 1.98 N ATOM 404 CD2 HIS A 24 127.672 -0.969 11.920 1.00 2.05 C ATOM 405 CE1 HIS A 24 128.168 -2.836 12.901 1.00 2.27 C ATOM 406 NE2 HIS A 24 127.603 -1.648 13.133 1.00 2.31 N ATOM 0 H HIS A 24 128.844 0.565 8.342 1.00 0.97 H new ATOM 0 HA HIS A 24 130.364 -0.577 10.387 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.852 -0.889 9.073 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.585 -2.478 8.985 1.00 1.21 H new ATOM 0 HD2 HIS A 24 127.305 0.032 11.746 1.00 2.05 H new ATOM 0 HE1 HIS A 24 128.277 -3.611 13.646 1.00 2.27 H new ATOM 0 HE2 HIS A 24 127.206 -1.311 14.010 1.00 2.31 H new ATOM 414 N SER A 25 130.788 -2.301 7.613 1.00 0.96 N ATOM 415 CA SER A 25 131.748 -3.250 6.981 1.00 0.97 C ATOM 416 C SER A 25 133.074 -2.531 6.731 1.00 0.91 C ATOM 417 O SER A 25 134.136 -3.126 6.743 1.00 0.96 O ATOM 418 CB SER A 25 131.096 -3.647 5.657 1.00 1.11 C ATOM 419 OG SER A 25 130.406 -4.878 5.821 1.00 1.74 O ATOM 0 H SER A 25 129.996 -2.031 7.030 1.00 0.96 H new ATOM 0 HA SER A 25 131.957 -4.120 7.603 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.404 -2.870 5.332 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.854 -3.743 4.880 1.00 1.11 H new ATOM 0 HG SER A 25 129.986 -5.133 4.973 1.00 1.74 H new ATOM 425 N LEU A 26 133.011 -1.248 6.510 1.00 0.89 N ATOM 426 CA LEU A 26 134.250 -0.466 6.259 1.00 0.96 C ATOM 427 C LEU A 26 135.050 -0.339 7.558 1.00 0.94 C ATOM 428 O LEU A 26 136.250 -0.553 7.585 1.00 1.07 O ATOM 429 CB LEU A 26 133.754 0.896 5.766 1.00 1.05 C ATOM 430 CG LEU A 26 134.026 1.018 4.263 1.00 1.30 C ATOM 431 CD1 LEU A 26 132.774 1.537 3.556 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.182 1.992 4.022 1.00 1.37 C ATOM 0 H LEU A 26 132.148 -0.705 6.493 1.00 0.89 H new ATOM 0 HA LEU A 26 134.914 -0.933 5.532 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.687 1.001 5.964 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.259 1.697 6.305 1.00 1.05 H new ATOM 0 HG LEU A 26 134.290 0.037 3.868 1.00 1.30 H new ATOM 0 HD11 LEU A 26 132.969 1.623 2.487 1.00 1.74 H new ATOM 0 HD12 LEU A 26 131.950 0.843 3.720 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.509 2.516 3.957 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.371 2.075 2.952 1.00 1.37 H new ATOM 0 HD22 LEU A 26 134.921 2.972 4.421 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.078 1.624 4.521 1.00 1.37 H new ATOM 444 N ARG A 27 134.398 -0.019 8.642 1.00 0.86 N ATOM 445 CA ARG A 27 135.133 0.087 9.930 1.00 0.94 C ATOM 446 C ARG A 27 135.807 -1.261 10.207 1.00 0.93 C ATOM 447 O ARG A 27 136.822 -1.344 10.868 1.00 1.10 O ATOM 448 CB ARG A 27 134.057 0.433 10.981 1.00 0.98 C ATOM 449 CG ARG A 27 133.785 -0.761 11.907 1.00 1.26 C ATOM 450 CD ARG A 27 132.442 -0.570 12.615 1.00 1.39 C ATOM 451 NE ARG A 27 132.760 -0.660 14.067 1.00 1.64 N ATOM 452 CZ ARG A 27 131.988 -1.348 14.864 1.00 1.63 C ATOM 453 NH1 ARG A 27 130.692 -1.225 14.784 1.00 1.82 N ATOM 454 NH2 ARG A 27 132.514 -2.159 15.741 1.00 2.26 N ATOM 0 H ARG A 27 133.397 0.172 8.690 1.00 0.86 H new ATOM 0 HA ARG A 27 135.917 0.845 9.935 1.00 0.94 H new ATOM 0 HB2 ARG A 27 134.383 1.289 11.572 1.00 0.98 H new ATOM 0 HB3 ARG A 27 133.135 0.725 10.479 1.00 0.98 H new ATOM 0 HG2 ARG A 27 133.774 -1.686 11.330 1.00 1.26 H new ATOM 0 HG3 ARG A 27 134.585 -0.853 12.642 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.998 0.394 12.367 1.00 1.39 H new ATOM 0 HD3 ARG A 27 131.726 -1.337 12.319 1.00 1.39 H new ATOM 0 HE ARG A 27 133.582 -0.184 14.439 1.00 1.64 H new ATOM 0 HH11 ARG A 27 130.281 -0.591 14.099 1.00 1.82 H new ATOM 0 HH12 ARG A 27 130.089 -1.763 15.407 1.00 1.82 H new ATOM 0 HH21 ARG A 27 133.528 -2.255 15.803 1.00 2.26 H new ATOM 0 HH22 ARG A 27 131.911 -2.697 16.364 1.00 2.26 H new ATOM 468 N ASP A 28 135.238 -2.315 9.685 1.00 0.89 N ATOM 469 CA ASP A 28 135.824 -3.667 9.888 1.00 0.93 C ATOM 470 C ASP A 28 137.107 -3.799 9.070 1.00 0.90 C ATOM 471 O ASP A 28 137.992 -4.560 9.406 1.00 1.02 O ATOM 472 CB ASP A 28 134.758 -4.638 9.378 1.00 1.02 C ATOM 473 CG ASP A 28 135.047 -6.041 9.912 1.00 1.53 C ATOM 474 OD1 ASP A 28 136.072 -6.211 10.550 1.00 2.29 O ATOM 475 OD2 ASP A 28 134.237 -6.923 9.674 1.00 2.00 O ATOM 0 H ASP A 28 134.387 -2.295 9.123 1.00 0.89 H new ATOM 0 HA ASP A 28 136.084 -3.861 10.929 1.00 0.93 H new ATOM 0 HB2 ASP A 28 133.769 -4.311 9.701 1.00 1.02 H new ATOM 0 HB3 ASP A 28 134.751 -4.647 8.288 1.00 1.02 H new ATOM 480 N SER A 29 137.228 -3.049 8.007 1.00 0.83 N ATOM 481 CA SER A 29 138.468 -3.126 7.194 1.00 0.86 C ATOM 482 C SER A 29 139.607 -2.488 7.982 1.00 0.88 C ATOM 483 O SER A 29 140.736 -2.935 7.933 1.00 0.94 O ATOM 484 CB SER A 29 138.172 -2.333 5.922 1.00 0.90 C ATOM 485 OG SER A 29 136.819 -2.546 5.541 1.00 1.44 O ATOM 0 H SER A 29 136.524 -2.391 7.671 1.00 0.83 H new ATOM 0 HA SER A 29 138.759 -4.149 6.954 1.00 0.86 H new ATOM 0 HB2 SER A 29 138.352 -1.271 6.091 1.00 0.90 H new ATOM 0 HB3 SER A 29 138.841 -2.646 5.121 1.00 0.90 H new ATOM 0 HG SER A 29 136.768 -3.309 4.928 1.00 1.44 H new ATOM 491 N VAL A 30 139.319 -1.444 8.722 1.00 0.87 N ATOM 492 CA VAL A 30 140.353 -0.787 9.514 1.00 0.94 C ATOM 493 C VAL A 30 140.090 -1.083 10.993 1.00 1.03 C ATOM 494 O VAL A 30 139.367 -0.364 11.652 1.00 1.09 O ATOM 495 CB VAL A 30 140.123 0.675 9.190 1.00 0.92 C ATOM 496 CG1 VAL A 30 140.747 1.529 10.265 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.742 0.999 7.832 1.00 0.94 C ATOM 0 H VAL A 30 138.391 -1.028 8.798 1.00 0.87 H new ATOM 0 HA VAL A 30 141.375 -1.105 9.307 1.00 0.94 H new ATOM 0 HB VAL A 30 139.053 0.881 9.149 1.00 0.92 H new ATOM 0 HG11 VAL A 30 140.583 2.582 10.034 1.00 1.30 H new ATOM 0 HG12 VAL A 30 140.292 1.293 11.227 1.00 1.30 H new ATOM 0 HG13 VAL A 30 141.818 1.330 10.312 1.00 1.30 H new ATOM 0 HG21 VAL A 30 140.577 2.051 7.598 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.813 0.798 7.863 1.00 0.94 H new ATOM 0 HG23 VAL A 30 140.279 0.380 7.064 1.00 0.94 H new ATOM 507 N PRO A 31 140.669 -2.153 11.457 1.00 1.11 N ATOM 508 CA PRO A 31 140.477 -2.571 12.866 1.00 1.26 C ATOM 509 C PRO A 31 141.171 -1.598 13.821 1.00 1.33 C ATOM 510 O PRO A 31 141.927 -0.739 13.411 1.00 1.61 O ATOM 511 CB PRO A 31 141.117 -3.955 12.919 1.00 1.41 C ATOM 512 CG PRO A 31 142.109 -3.962 11.800 1.00 1.38 C ATOM 513 CD PRO A 31 141.554 -3.065 10.725 1.00 1.17 C ATOM 0 HA PRO A 31 139.430 -2.582 13.170 1.00 1.26 H new ATOM 0 HB2 PRO A 31 141.603 -4.129 13.879 1.00 1.41 H new ATOM 0 HB3 PRO A 31 140.372 -4.740 12.792 1.00 1.41 H new ATOM 0 HG2 PRO A 31 143.080 -3.603 12.141 1.00 1.38 H new ATOM 0 HG3 PRO A 31 142.258 -4.973 11.421 1.00 1.38 H new ATOM 0 HD2 PRO A 31 142.346 -2.524 10.206 1.00 1.17 H new ATOM 0 HD3 PRO A 31 141.009 -3.633 9.971 1.00 1.17 H new ATOM 521 N SER A 32 140.909 -1.726 15.093 1.00 1.36 N ATOM 522 CA SER A 32 141.538 -0.815 16.092 1.00 1.48 C ATOM 523 C SER A 32 141.059 0.627 15.883 1.00 1.43 C ATOM 524 O SER A 32 141.537 1.541 16.521 1.00 2.26 O ATOM 525 CB SER A 32 143.046 -0.925 15.856 1.00 1.54 C ATOM 526 OG SER A 32 143.622 0.374 15.884 1.00 1.81 O ATOM 0 H SER A 32 140.282 -2.428 15.486 1.00 1.36 H new ATOM 0 HA SER A 32 141.271 -1.089 17.113 1.00 1.48 H new ATOM 0 HB2 SER A 32 143.501 -1.553 16.622 1.00 1.54 H new ATOM 0 HB3 SER A 32 143.242 -1.401 14.895 1.00 1.54 H new ATOM 0 HG SER A 32 143.161 0.922 16.553 1.00 1.81 H new ATOM 532 N LEU A 33 140.111 0.838 15.005 1.00 1.03 N ATOM 533 CA LEU A 33 139.603 2.224 14.773 1.00 1.11 C ATOM 534 C LEU A 33 138.475 2.530 15.758 1.00 1.36 C ATOM 535 O LEU A 33 138.648 3.266 16.709 1.00 1.90 O ATOM 536 CB LEU A 33 139.069 2.228 13.337 1.00 1.26 C ATOM 537 CG LEU A 33 139.503 3.513 12.632 1.00 1.25 C ATOM 538 CD1 LEU A 33 140.960 3.378 12.228 1.00 1.61 C ATOM 539 CD2 LEU A 33 138.658 3.724 11.371 1.00 1.07 C ATOM 0 H LEU A 33 139.668 0.113 14.441 1.00 1.03 H new ATOM 0 HA LEU A 33 140.378 2.977 14.916 1.00 1.11 H new ATOM 0 HB2 LEU A 33 139.445 1.360 12.796 1.00 1.26 H new ATOM 0 HB3 LEU A 33 137.982 2.154 13.342 1.00 1.26 H new ATOM 0 HG LEU A 33 139.370 4.361 13.304 1.00 1.25 H new ATOM 0 HD11 LEU A 33 141.284 4.288 11.723 1.00 1.61 H new ATOM 0 HD12 LEU A 33 141.571 3.219 13.117 1.00 1.61 H new ATOM 0 HD13 LEU A 33 141.073 2.529 11.553 1.00 1.61 H new ATOM 0 HD21 LEU A 33 138.971 4.641 10.872 1.00 1.07 H new ATOM 0 HD22 LEU A 33 138.794 2.879 10.696 1.00 1.07 H new ATOM 0 HD23 LEU A 33 137.606 3.802 11.647 1.00 1.07 H new ATOM 551 N GLN A 34 137.323 1.964 15.535 1.00 1.45 N ATOM 552 CA GLN A 34 136.176 2.210 16.454 1.00 1.93 C ATOM 553 C GLN A 34 136.001 3.710 16.701 1.00 1.73 C ATOM 554 O GLN A 34 135.272 4.383 16.000 1.00 1.81 O ATOM 555 CB GLN A 34 136.549 1.490 17.750 1.00 2.70 C ATOM 556 CG GLN A 34 135.894 0.108 17.772 1.00 2.81 C ATOM 557 CD GLN A 34 134.815 0.072 18.856 1.00 3.04 C ATOM 558 OE1 GLN A 34 135.062 0.438 19.988 1.00 3.19 O ATOM 559 NE2 GLN A 34 133.619 -0.357 18.555 1.00 3.67 N ATOM 0 H GLN A 34 137.125 1.339 14.753 1.00 1.45 H new ATOM 0 HA GLN A 34 135.233 1.849 16.043 1.00 1.93 H new ATOM 0 HB2 GLN A 34 137.632 1.392 17.826 1.00 2.70 H new ATOM 0 HB3 GLN A 34 136.221 2.074 18.610 1.00 2.70 H new ATOM 0 HG2 GLN A 34 135.455 -0.114 16.799 1.00 2.81 H new ATOM 0 HG3 GLN A 34 136.644 -0.659 17.965 1.00 2.81 H new ATOM 0 HE21 GLN A 34 133.412 -0.664 17.605 1.00 3.67 H new ATOM 0 HE22 GLN A 34 132.892 -0.385 19.270 1.00 3.67 H new ATOM 568 N GLY A 35 136.660 4.241 17.695 1.00 2.09 N ATOM 569 CA GLY A 35 136.522 5.696 17.980 1.00 2.10 C ATOM 570 C GLY A 35 137.897 6.366 17.948 1.00 2.03 C ATOM 571 O GLY A 35 138.231 7.157 18.808 1.00 2.32 O ATOM 0 H GLY A 35 137.285 3.732 18.319 1.00 2.09 H new ATOM 0 HA2 GLY A 35 135.865 6.159 17.244 1.00 2.10 H new ATOM 0 HA3 GLY A 35 136.059 5.842 18.956 1.00 2.10 H new ATOM 575 N GLU A 36 138.696 6.063 16.962 1.00 2.17 N ATOM 576 CA GLU A 36 140.046 6.691 16.877 1.00 2.22 C ATOM 577 C GLU A 36 139.909 8.183 16.562 1.00 2.16 C ATOM 578 O GLU A 36 139.040 8.857 17.078 1.00 2.09 O ATOM 579 CB GLU A 36 140.750 5.964 15.732 1.00 2.21 C ATOM 580 CG GLU A 36 142.261 5.970 15.976 1.00 2.59 C ATOM 581 CD GLU A 36 142.849 4.626 15.551 1.00 3.04 C ATOM 582 OE1 GLU A 36 142.200 3.622 15.780 1.00 3.47 O ATOM 583 OE2 GLU A 36 143.938 4.623 14.999 1.00 3.42 O ATOM 0 H GLU A 36 138.473 5.409 16.212 1.00 2.17 H new ATOM 0 HA GLU A 36 140.602 6.610 17.811 1.00 2.22 H new ATOM 0 HB2 GLU A 36 140.387 4.939 15.660 1.00 2.21 H new ATOM 0 HB3 GLU A 36 140.522 6.450 14.784 1.00 2.21 H new ATOM 0 HG2 GLU A 36 142.728 6.778 15.413 1.00 2.59 H new ATOM 0 HG3 GLU A 36 142.470 6.154 17.030 1.00 2.59 H new ATOM 590 N LYS A 37 140.754 8.704 15.715 1.00 2.64 N ATOM 591 CA LYS A 37 140.661 10.150 15.370 1.00 2.78 C ATOM 592 C LYS A 37 139.590 10.367 14.296 1.00 2.90 C ATOM 593 O LYS A 37 139.019 11.434 14.186 1.00 3.48 O ATOM 594 CB LYS A 37 142.044 10.525 14.836 1.00 2.94 C ATOM 595 CG LYS A 37 142.038 11.988 14.388 1.00 2.83 C ATOM 596 CD LYS A 37 142.552 12.875 15.524 1.00 3.37 C ATOM 597 CE LYS A 37 141.400 13.722 16.073 1.00 3.90 C ATOM 598 NZ LYS A 37 142.034 14.988 16.541 1.00 3.95 N ATOM 0 H LYS A 37 141.503 8.192 15.248 1.00 2.64 H new ATOM 0 HA LYS A 37 140.380 10.762 16.227 1.00 2.78 H new ATOM 0 HB2 LYS A 37 142.797 10.373 15.609 1.00 2.94 H new ATOM 0 HB3 LYS A 37 142.310 9.879 14.000 1.00 2.94 H new ATOM 0 HG2 LYS A 37 142.665 12.111 13.505 1.00 2.83 H new ATOM 0 HG3 LYS A 37 141.029 12.289 14.107 1.00 2.83 H new ATOM 0 HD2 LYS A 37 142.975 12.259 16.318 1.00 3.37 H new ATOM 0 HD3 LYS A 37 143.352 13.521 15.162 1.00 3.37 H new ATOM 0 HE2 LYS A 37 140.653 13.917 15.304 1.00 3.90 H new ATOM 0 HE3 LYS A 37 140.890 13.211 16.890 1.00 3.90 H new ATOM 0 HZ1 LYS A 37 141.304 15.618 16.930 1.00 3.95 H new ATOM 0 HZ2 LYS A 37 142.735 14.773 17.278 1.00 3.95 H new ATOM 0 HZ3 LYS A 37 142.505 15.457 15.741 1.00 3.95 H new ATOM 612 N ALA A 38 139.310 9.365 13.503 1.00 2.70 N ATOM 613 CA ALA A 38 138.272 9.527 12.443 1.00 2.90 C ATOM 614 C ALA A 38 136.894 9.735 13.081 1.00 3.20 C ATOM 615 O ALA A 38 136.678 9.403 14.229 1.00 3.70 O ATOM 616 CB ALA A 38 138.308 8.219 11.653 1.00 2.81 C ATOM 0 H ALA A 38 139.753 8.447 13.543 1.00 2.70 H new ATOM 0 HA ALA A 38 138.460 10.392 11.807 1.00 2.90 H new ATOM 0 HB1 ALA A 38 137.570 8.258 10.851 1.00 2.81 H new ATOM 0 HB2 ALA A 38 139.301 8.079 11.226 1.00 2.81 H new ATOM 0 HB3 ALA A 38 138.078 7.386 12.318 1.00 2.81 H new ATOM 622 N SER A 39 135.961 10.286 12.349 1.00 3.26 N ATOM 623 CA SER A 39 134.602 10.514 12.925 1.00 3.55 C ATOM 624 C SER A 39 133.523 10.304 11.861 1.00 2.87 C ATOM 625 O SER A 39 133.813 10.056 10.707 1.00 2.66 O ATOM 626 CB SER A 39 134.614 11.964 13.405 1.00 4.26 C ATOM 627 OG SER A 39 134.701 11.987 14.823 1.00 4.57 O ATOM 0 H SER A 39 136.080 10.587 11.382 1.00 3.26 H new ATOM 0 HA SER A 39 134.378 9.819 13.734 1.00 3.55 H new ATOM 0 HB2 SER A 39 135.459 12.497 12.968 1.00 4.26 H new ATOM 0 HB3 SER A 39 133.710 12.476 13.076 1.00 4.26 H new ATOM 0 HG SER A 39 134.711 12.916 15.135 1.00 4.57 H new ATOM 633 N ARG A 40 132.276 10.387 12.246 1.00 2.78 N ATOM 634 CA ARG A 40 131.177 10.178 11.261 1.00 2.23 C ATOM 635 C ARG A 40 131.327 8.782 10.638 1.00 1.68 C ATOM 636 O ARG A 40 131.154 7.788 11.314 1.00 1.90 O ATOM 637 CB ARG A 40 131.353 11.303 10.236 1.00 2.47 C ATOM 638 CG ARG A 40 130.014 11.594 9.556 1.00 3.29 C ATOM 639 CD ARG A 40 129.427 10.299 8.991 1.00 4.13 C ATOM 640 NE ARG A 40 128.118 10.699 8.405 1.00 4.67 N ATOM 641 CZ ARG A 40 127.087 10.900 9.181 1.00 5.65 C ATOM 642 NH1 ARG A 40 127.232 10.890 10.479 1.00 6.36 N ATOM 643 NH2 ARG A 40 125.909 11.108 8.660 1.00 6.19 N ATOM 0 H ARG A 40 131.973 10.590 13.198 1.00 2.78 H new ATOM 0 HA ARG A 40 130.178 10.214 11.696 1.00 2.23 H new ATOM 0 HB2 ARG A 40 131.725 12.202 10.728 1.00 2.47 H new ATOM 0 HB3 ARG A 40 132.096 11.017 9.491 1.00 2.47 H new ATOM 0 HG2 ARG A 40 129.321 12.036 10.272 1.00 3.29 H new ATOM 0 HG3 ARG A 40 130.153 12.321 8.756 1.00 3.29 H new ATOM 0 HD2 ARG A 40 130.082 9.864 8.236 1.00 4.13 H new ATOM 0 HD3 ARG A 40 129.298 9.549 9.772 1.00 4.13 H new ATOM 0 HE ARG A 40 128.026 10.816 7.396 1.00 4.67 H new ATOM 0 HH11 ARG A 40 128.152 10.725 10.888 1.00 6.36 H new ATOM 0 HH12 ARG A 40 126.426 11.047 11.083 1.00 6.36 H new ATOM 0 HH21 ARG A 40 125.793 11.114 7.647 1.00 6.19 H new ATOM 0 HH22 ARG A 40 125.104 11.265 9.266 1.00 6.19 H new ATOM 657 N ALA A 41 131.675 8.673 9.383 1.00 1.54 N ATOM 658 CA ALA A 41 131.857 7.326 8.801 1.00 1.81 C ATOM 659 C ALA A 41 133.172 6.779 9.319 1.00 1.57 C ATOM 660 O ALA A 41 133.364 5.586 9.437 1.00 2.23 O ATOM 661 CB ALA A 41 131.917 7.546 7.297 1.00 2.44 C ATOM 0 H ALA A 41 131.838 9.454 8.747 1.00 1.54 H new ATOM 0 HA ALA A 41 131.064 6.623 9.057 1.00 1.81 H new ATOM 0 HB1 ALA A 41 132.051 6.588 6.794 1.00 2.44 H new ATOM 0 HB2 ALA A 41 130.988 8.006 6.959 1.00 2.44 H new ATOM 0 HB3 ALA A 41 132.754 8.202 7.058 1.00 2.44 H new ATOM 667 N GLN A 42 134.075 7.665 9.646 1.00 1.30 N ATOM 668 CA GLN A 42 135.395 7.248 10.189 1.00 1.16 C ATOM 669 C GLN A 42 136.228 6.479 9.154 1.00 1.10 C ATOM 670 O GLN A 42 137.422 6.705 9.016 1.00 1.37 O ATOM 671 CB GLN A 42 135.052 6.358 11.377 1.00 1.29 C ATOM 672 CG GLN A 42 134.041 7.071 12.275 1.00 2.01 C ATOM 673 CD GLN A 42 133.671 6.158 13.443 1.00 2.19 C ATOM 674 OE1 GLN A 42 132.628 6.315 14.047 1.00 2.84 O ATOM 675 NE2 GLN A 42 134.488 5.202 13.790 1.00 2.21 N ATOM 0 H GLN A 42 133.949 8.673 9.558 1.00 1.30 H new ATOM 0 HA GLN A 42 136.004 8.108 10.466 1.00 1.16 H new ATOM 0 HB2 GLN A 42 134.640 5.411 11.028 1.00 1.29 H new ATOM 0 HB3 GLN A 42 135.954 6.124 11.942 1.00 1.29 H new ATOM 0 HG2 GLN A 42 134.463 8.004 12.648 1.00 2.01 H new ATOM 0 HG3 GLN A 42 133.149 7.330 11.704 1.00 2.01 H new ATOM 0 HE21 GLN A 42 135.363 5.070 13.283 1.00 2.21 H new ATOM 0 HE22 GLN A 42 134.251 4.586 14.568 1.00 2.21 H new ATOM 684 N ILE A 43 135.643 5.568 8.422 1.00 0.94 N ATOM 685 CA ILE A 43 136.468 4.827 7.443 1.00 1.02 C ATOM 686 C ILE A 43 136.817 5.735 6.272 1.00 0.95 C ATOM 687 O ILE A 43 137.953 5.834 5.899 1.00 1.01 O ATOM 688 CB ILE A 43 135.640 3.625 6.988 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.871 3.043 8.180 1.00 2.22 C ATOM 690 CG2 ILE A 43 136.594 2.559 6.438 1.00 1.33 C ATOM 691 CD1 ILE A 43 133.367 3.180 7.941 1.00 2.95 C ATOM 0 H ILE A 43 134.656 5.314 8.461 1.00 0.94 H new ATOM 0 HA ILE A 43 137.408 4.491 7.881 1.00 1.02 H new ATOM 0 HB ILE A 43 134.930 3.934 6.221 1.00 1.18 H new ATOM 0 HG12 ILE A 43 135.133 1.994 8.317 1.00 2.22 H new ATOM 0 HG13 ILE A 43 135.152 3.564 9.095 1.00 2.22 H new ATOM 0 HG21 ILE A 43 136.020 1.693 6.108 1.00 1.33 H new ATOM 0 HG22 ILE A 43 137.150 2.969 5.595 1.00 1.33 H new ATOM 0 HG23 ILE A 43 137.291 2.256 7.220 1.00 1.33 H new ATOM 0 HD11 ILE A 43 132.824 2.765 8.790 1.00 2.95 H new ATOM 0 HD12 ILE A 43 133.111 4.233 7.826 1.00 2.95 H new ATOM 0 HD13 ILE A 43 133.092 2.639 7.036 1.00 2.95 H new ATOM 703 N LEU A 44 135.859 6.412 5.699 1.00 0.95 N ATOM 704 CA LEU A 44 136.175 7.320 4.548 1.00 1.07 C ATOM 705 C LEU A 44 137.535 7.973 4.767 1.00 1.01 C ATOM 706 O LEU A 44 138.362 8.037 3.875 1.00 0.96 O ATOM 707 CB LEU A 44 135.071 8.369 4.544 1.00 1.43 C ATOM 708 CG LEU A 44 133.893 7.848 3.726 1.00 0.94 C ATOM 709 CD1 LEU A 44 133.415 6.524 4.307 1.00 1.42 C ATOM 710 CD2 LEU A 44 132.755 8.850 3.796 1.00 1.24 C ATOM 0 H LEU A 44 134.877 6.380 5.972 1.00 0.95 H new ATOM 0 HA LEU A 44 136.220 6.786 3.599 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.754 8.586 5.564 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.440 9.303 4.120 1.00 1.43 H new ATOM 0 HG LEU A 44 134.206 7.706 2.692 1.00 0.94 H new ATOM 0 HD11 LEU A 44 132.574 6.153 3.722 1.00 1.42 H new ATOM 0 HD12 LEU A 44 134.228 5.798 4.275 1.00 1.42 H new ATOM 0 HD13 LEU A 44 133.101 6.672 5.340 1.00 1.42 H new ATOM 0 HD21 LEU A 44 131.910 8.483 3.213 1.00 1.24 H new ATOM 0 HD22 LEU A 44 132.450 8.982 4.834 1.00 1.24 H new ATOM 0 HD23 LEU A 44 133.087 9.806 3.391 1.00 1.24 H new ATOM 722 N ASP A 45 137.786 8.418 5.966 1.00 1.09 N ATOM 723 CA ASP A 45 139.104 9.026 6.269 1.00 1.15 C ATOM 724 C ASP A 45 140.188 7.968 6.064 1.00 1.00 C ATOM 725 O ASP A 45 141.153 8.182 5.359 1.00 0.93 O ATOM 726 CB ASP A 45 139.020 9.443 7.737 1.00 1.37 C ATOM 727 CG ASP A 45 139.629 10.835 7.907 1.00 1.59 C ATOM 728 OD1 ASP A 45 140.516 11.170 7.139 1.00 2.29 O ATOM 729 OD2 ASP A 45 139.198 11.544 8.802 1.00 1.77 O ATOM 0 H ASP A 45 137.132 8.385 6.748 1.00 1.09 H new ATOM 0 HA ASP A 45 139.345 9.876 5.631 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.981 9.446 8.066 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.550 8.724 8.361 1.00 1.37 H new ATOM 734 N LYS A 46 140.025 6.814 6.661 1.00 1.02 N ATOM 735 CA LYS A 46 141.045 5.736 6.479 1.00 0.96 C ATOM 736 C LYS A 46 140.808 5.002 5.147 1.00 0.84 C ATOM 737 O LYS A 46 141.706 4.863 4.342 1.00 0.89 O ATOM 738 CB LYS A 46 140.845 4.796 7.668 1.00 1.02 C ATOM 739 CG LYS A 46 140.931 5.597 8.971 1.00 1.54 C ATOM 740 CD LYS A 46 142.252 6.371 9.012 1.00 1.67 C ATOM 741 CE LYS A 46 142.298 7.241 10.272 1.00 2.59 C ATOM 742 NZ LYS A 46 143.057 8.458 9.871 1.00 2.66 N ATOM 0 H LYS A 46 139.237 6.573 7.262 1.00 1.02 H new ATOM 0 HA LYS A 46 142.062 6.126 6.443 1.00 0.96 H new ATOM 0 HB2 LYS A 46 139.876 4.302 7.596 1.00 1.02 H new ATOM 0 HB3 LYS A 46 141.604 4.014 7.659 1.00 1.02 H new ATOM 0 HG2 LYS A 46 140.091 6.288 9.041 1.00 1.54 H new ATOM 0 HG3 LYS A 46 140.864 4.926 9.827 1.00 1.54 H new ATOM 0 HD2 LYS A 46 143.092 5.677 9.006 1.00 1.67 H new ATOM 0 HD3 LYS A 46 142.348 6.995 8.123 1.00 1.67 H new ATOM 0 HE2 LYS A 46 141.294 7.496 10.613 1.00 2.59 H new ATOM 0 HE3 LYS A 46 142.791 6.721 11.093 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 143.131 9.104 10.683 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 144.010 8.185 9.558 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 142.560 8.936 9.092 1.00 2.66 H new ATOM 756 N ALA A 47 139.599 4.546 4.922 1.00 0.73 N ATOM 757 CA ALA A 47 139.248 3.829 3.653 1.00 0.69 C ATOM 758 C ALA A 47 140.089 4.348 2.481 1.00 0.70 C ATOM 759 O ALA A 47 140.773 3.594 1.813 1.00 0.70 O ATOM 760 CB ALA A 47 137.749 4.134 3.417 1.00 0.69 C ATOM 0 H ALA A 47 138.824 4.642 5.578 1.00 0.73 H new ATOM 0 HA ALA A 47 139.444 2.759 3.727 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.417 3.642 2.503 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.165 3.765 4.260 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.607 5.211 3.321 1.00 0.69 H new ATOM 766 N THR A 48 140.044 5.626 2.216 1.00 0.83 N ATOM 767 CA THR A 48 140.840 6.164 1.076 1.00 0.92 C ATOM 768 C THR A 48 142.310 6.350 1.475 1.00 0.83 C ATOM 769 O THR A 48 143.197 5.863 0.803 1.00 0.79 O ATOM 770 CB THR A 48 140.155 7.490 0.700 1.00 1.17 C ATOM 771 OG1 THR A 48 139.586 7.347 -0.590 1.00 1.76 O ATOM 772 CG2 THR A 48 141.155 8.654 0.678 1.00 1.36 C ATOM 0 H THR A 48 139.497 6.314 2.733 1.00 0.83 H new ATOM 0 HA THR A 48 140.863 5.485 0.224 1.00 0.92 H new ATOM 0 HB THR A 48 139.393 7.714 1.446 1.00 1.17 H new ATOM 0 HG1 THR A 48 139.507 6.395 -0.809 1.00 1.76 H new ATOM 0 HG21 THR A 48 140.636 9.574 0.409 1.00 1.36 H new ATOM 0 HG22 THR A 48 141.605 8.766 1.665 1.00 1.36 H new ATOM 0 HG23 THR A 48 141.935 8.449 -0.055 1.00 1.36 H new ATOM 780 N GLU A 49 142.584 7.043 2.551 1.00 0.88 N ATOM 781 CA GLU A 49 144.012 7.226 2.946 1.00 0.90 C ATOM 782 C GLU A 49 144.732 5.880 2.834 1.00 0.77 C ATOM 783 O GLU A 49 145.910 5.810 2.549 1.00 0.83 O ATOM 784 CB GLU A 49 143.982 7.748 4.393 1.00 1.04 C ATOM 785 CG GLU A 49 144.084 6.589 5.391 1.00 1.34 C ATOM 786 CD GLU A 49 145.548 6.164 5.528 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.363 6.665 4.771 1.00 2.01 O ATOM 788 OE2 GLU A 49 145.828 5.344 6.387 1.00 2.26 O ATOM 0 H GLU A 49 141.895 7.482 3.162 1.00 0.88 H new ATOM 0 HA GLU A 49 144.548 7.928 2.307 1.00 0.90 H new ATOM 0 HB2 GLU A 49 144.806 8.444 4.551 1.00 1.04 H new ATOM 0 HB3 GLU A 49 143.060 8.302 4.565 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.690 6.894 6.361 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.480 5.748 5.051 1.00 1.34 H new ATOM 795 N TYR A 50 144.011 4.809 3.033 1.00 0.67 N ATOM 796 CA TYR A 50 144.626 3.460 2.913 1.00 0.64 C ATOM 797 C TYR A 50 144.882 3.158 1.436 1.00 0.62 C ATOM 798 O TYR A 50 145.955 2.739 1.052 1.00 0.64 O ATOM 799 CB TYR A 50 143.583 2.497 3.483 1.00 0.65 C ATOM 800 CG TYR A 50 143.924 2.171 4.916 1.00 0.93 C ATOM 801 CD1 TYR A 50 143.637 3.092 5.930 1.00 1.72 C ATOM 802 CD2 TYR A 50 144.524 0.946 5.232 1.00 1.38 C ATOM 803 CE1 TYR A 50 143.953 2.790 7.260 1.00 2.07 C ATOM 804 CE2 TYR A 50 144.839 0.644 6.561 1.00 1.72 C ATOM 805 CZ TYR A 50 144.553 1.565 7.576 1.00 1.79 C ATOM 806 OH TYR A 50 144.864 1.267 8.887 1.00 2.26 O ATOM 0 H TYR A 50 143.020 4.813 3.274 1.00 0.67 H new ATOM 0 HA TYR A 50 145.577 3.378 3.439 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.591 2.945 3.428 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.554 1.584 2.889 1.00 0.65 H new ATOM 0 HD1 TYR A 50 143.172 4.036 5.686 1.00 1.72 H new ATOM 0 HD2 TYR A 50 144.744 0.234 4.450 1.00 1.38 H new ATOM 0 HE1 TYR A 50 143.734 3.502 8.042 1.00 2.07 H new ATOM 0 HE2 TYR A 50 145.303 -0.300 6.804 1.00 1.72 H new ATOM 0 HH TYR A 50 145.274 0.378 8.932 1.00 2.26 H new ATOM 816 N ILE A 51 143.900 3.383 0.603 1.00 0.65 N ATOM 817 CA ILE A 51 144.083 3.123 -0.854 1.00 0.67 C ATOM 818 C ILE A 51 145.283 3.913 -1.379 1.00 0.66 C ATOM 819 O ILE A 51 146.298 3.352 -1.742 1.00 0.65 O ATOM 820 CB ILE A 51 142.797 3.623 -1.510 1.00 0.76 C ATOM 821 CG1 ILE A 51 141.628 2.732 -1.092 1.00 0.88 C ATOM 822 CG2 ILE A 51 142.948 3.578 -3.032 1.00 0.82 C ATOM 823 CD1 ILE A 51 140.340 3.272 -1.713 1.00 0.73 C ATOM 0 H ILE A 51 142.980 3.735 0.869 1.00 0.65 H new ATOM 0 HA ILE A 51 144.269 2.070 -1.065 1.00 0.67 H new ATOM 0 HB ILE A 51 142.606 4.648 -1.192 1.00 0.76 H new ATOM 0 HG12 ILE A 51 141.802 1.707 -1.418 1.00 0.88 H new ATOM 0 HG13 ILE A 51 141.541 2.711 -0.006 1.00 0.88 H new ATOM 0 HG21 ILE A 51 142.030 3.935 -3.499 1.00 0.82 H new ATOM 0 HG22 ILE A 51 143.780 4.214 -3.334 1.00 0.82 H new ATOM 0 HG23 ILE A 51 143.141 2.553 -3.348 1.00 0.82 H new ATOM 0 HD11 ILE A 51 139.502 2.641 -1.419 1.00 0.73 H new ATOM 0 HD12 ILE A 51 140.167 4.290 -1.365 1.00 0.73 H new ATOM 0 HD13 ILE A 51 140.431 3.271 -2.799 1.00 0.73 H new ATOM 835 N GLN A 52 145.171 5.214 -1.421 1.00 0.77 N ATOM 836 CA GLN A 52 146.302 6.047 -1.921 1.00 0.82 C ATOM 837 C GLN A 52 147.628 5.517 -1.372 1.00 0.73 C ATOM 838 O GLN A 52 148.514 5.142 -2.114 1.00 0.71 O ATOM 839 CB GLN A 52 146.023 7.453 -1.386 1.00 1.02 C ATOM 840 CG GLN A 52 144.658 7.930 -1.885 1.00 1.19 C ATOM 841 CD GLN A 52 144.551 9.446 -1.707 1.00 1.68 C ATOM 842 OE1 GLN A 52 145.364 10.050 -1.036 1.00 2.44 O ATOM 843 NE2 GLN A 52 143.575 10.092 -2.285 1.00 2.11 N ATOM 0 H GLN A 52 144.344 5.736 -1.130 1.00 0.77 H new ATOM 0 HA GLN A 52 146.379 6.033 -3.008 1.00 0.82 H new ATOM 0 HB2 GLN A 52 146.042 7.449 -0.296 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.802 8.140 -1.716 1.00 1.02 H new ATOM 0 HG2 GLN A 52 144.530 7.666 -2.935 1.00 1.19 H new ATOM 0 HG3 GLN A 52 143.862 7.431 -1.332 1.00 1.19 H new ATOM 0 HE21 GLN A 52 142.892 9.586 -2.849 1.00 2.11 H new ATOM 0 HE22 GLN A 52 143.496 11.103 -2.173 1.00 2.11 H new ATOM 852 N TYR A 53 147.770 5.482 -0.076 1.00 0.75 N ATOM 853 CA TYR A 53 149.038 4.974 0.523 1.00 0.76 C ATOM 854 C TYR A 53 149.322 3.552 0.029 1.00 0.68 C ATOM 855 O TYR A 53 150.228 3.324 -0.747 1.00 0.79 O ATOM 856 CB TYR A 53 148.790 4.985 2.034 1.00 0.87 C ATOM 857 CG TYR A 53 149.804 4.104 2.724 1.00 0.96 C ATOM 858 CD1 TYR A 53 151.099 4.580 2.965 1.00 1.62 C ATOM 859 CD2 TYR A 53 149.450 2.809 3.121 1.00 1.50 C ATOM 860 CE1 TYR A 53 152.037 3.762 3.605 1.00 1.73 C ATOM 861 CE2 TYR A 53 150.388 1.990 3.760 1.00 1.56 C ATOM 862 CZ TYR A 53 151.683 2.466 4.001 1.00 1.22 C ATOM 863 OH TYR A 53 152.608 1.660 4.632 1.00 1.38 O ATOM 0 H TYR A 53 147.063 5.783 0.595 1.00 0.75 H new ATOM 0 HA TYR A 53 149.901 5.580 0.249 1.00 0.76 H new ATOM 0 HB2 TYR A 53 148.859 6.004 2.416 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.781 4.632 2.249 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.374 5.578 2.657 1.00 1.62 H new ATOM 0 HD2 TYR A 53 148.452 2.441 2.934 1.00 1.50 H new ATOM 0 HE1 TYR A 53 153.035 4.130 3.794 1.00 1.73 H new ATOM 0 HE2 TYR A 53 150.113 0.992 4.067 1.00 1.56 H new ATOM 0 HH TYR A 53 152.199 0.794 4.840 1.00 1.38 H new ATOM 873 N MET A 54 148.556 2.594 0.476 1.00 0.59 N ATOM 874 CA MET A 54 148.786 1.187 0.035 1.00 0.60 C ATOM 875 C MET A 54 148.966 1.129 -1.485 1.00 0.56 C ATOM 876 O MET A 54 149.973 0.664 -1.981 1.00 0.57 O ATOM 877 CB MET A 54 147.527 0.427 0.455 1.00 0.68 C ATOM 878 CG MET A 54 147.517 0.256 1.975 1.00 0.77 C ATOM 879 SD MET A 54 146.874 -1.384 2.393 1.00 1.40 S ATOM 880 CE MET A 54 147.956 -1.698 3.809 1.00 0.80 C ATOM 0 H MET A 54 147.781 2.724 1.127 1.00 0.59 H new ATOM 0 HA MET A 54 149.686 0.760 0.477 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.638 0.969 0.134 1.00 0.68 H new ATOM 0 HB3 MET A 54 147.499 -0.548 -0.031 1.00 0.68 H new ATOM 0 HG2 MET A 54 148.525 0.375 2.372 1.00 0.77 H new ATOM 0 HG3 MET A 54 146.900 1.028 2.435 1.00 0.77 H new ATOM 0 HE1 MET A 54 147.401 -2.233 4.579 1.00 0.80 H new ATOM 0 HE2 MET A 54 148.807 -2.300 3.490 1.00 0.80 H new ATOM 0 HE3 MET A 54 148.313 -0.750 4.211 1.00 0.80 H new ATOM 890 N ARG A 55 147.999 1.597 -2.228 1.00 0.56 N ATOM 891 CA ARG A 55 148.121 1.565 -3.714 1.00 0.56 C ATOM 892 C ARG A 55 149.529 1.995 -4.134 1.00 0.58 C ATOM 893 O ARG A 55 150.271 1.233 -4.720 1.00 0.58 O ATOM 894 CB ARG A 55 147.080 2.562 -4.224 1.00 0.60 C ATOM 895 CG ARG A 55 146.804 2.298 -5.706 1.00 1.27 C ATOM 896 CD ARG A 55 147.884 2.972 -6.555 1.00 1.63 C ATOM 897 NE ARG A 55 147.330 2.992 -7.937 1.00 1.73 N ATOM 898 CZ ARG A 55 148.131 3.116 -8.960 1.00 2.04 C ATOM 899 NH1 ARG A 55 149.116 3.970 -8.917 1.00 2.56 N ATOM 900 NH2 ARG A 55 147.947 2.386 -10.026 1.00 2.60 N ATOM 0 H ARG A 55 147.132 1.999 -1.871 1.00 0.56 H new ATOM 0 HA ARG A 55 147.957 0.567 -4.120 1.00 0.56 H new ATOM 0 HB2 ARG A 55 146.159 2.468 -3.649 1.00 0.60 H new ATOM 0 HB3 ARG A 55 147.439 3.582 -4.086 1.00 0.60 H new ATOM 0 HG2 ARG A 55 146.792 1.225 -5.899 1.00 1.27 H new ATOM 0 HG3 ARG A 55 145.821 2.682 -5.978 1.00 1.27 H new ATOM 0 HD2 ARG A 55 148.094 3.981 -6.199 1.00 1.63 H new ATOM 0 HD3 ARG A 55 148.822 2.418 -6.514 1.00 1.63 H new ATOM 0 HE ARG A 55 146.324 2.909 -8.084 1.00 1.73 H new ATOM 0 HH11 ARG A 55 149.260 4.541 -8.084 1.00 2.56 H new ATOM 0 HH12 ARG A 55 149.742 4.067 -9.716 1.00 2.56 H new ATOM 0 HH21 ARG A 55 147.177 1.718 -10.060 1.00 2.60 H new ATOM 0 HH22 ARG A 55 148.573 2.483 -10.825 1.00 2.60 H new ATOM 914 N ARG A 56 149.905 3.207 -3.832 1.00 0.66 N ATOM 915 CA ARG A 56 151.269 3.677 -4.210 1.00 0.71 C ATOM 916 C ARG A 56 152.317 2.676 -3.717 1.00 0.68 C ATOM 917 O ARG A 56 153.345 2.482 -4.335 1.00 0.67 O ATOM 918 CB ARG A 56 151.436 5.023 -3.504 1.00 0.83 C ATOM 919 CG ARG A 56 151.257 6.156 -4.517 1.00 1.14 C ATOM 920 CD ARG A 56 152.559 6.355 -5.297 1.00 1.31 C ATOM 921 NE ARG A 56 153.441 7.130 -4.381 1.00 1.33 N ATOM 922 CZ ARG A 56 153.210 8.396 -4.169 1.00 1.82 C ATOM 923 NH1 ARG A 56 153.682 9.292 -4.992 1.00 2.36 N ATOM 924 NH2 ARG A 56 152.507 8.767 -3.133 1.00 2.46 N ATOM 0 H ARG A 56 149.329 3.891 -3.341 1.00 0.66 H new ATOM 0 HA ARG A 56 151.395 3.769 -5.289 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.704 5.119 -2.702 1.00 0.83 H new ATOM 0 HB3 ARG A 56 152.422 5.085 -3.044 1.00 0.83 H new ATOM 0 HG2 ARG A 56 150.443 5.920 -5.202 1.00 1.14 H new ATOM 0 HG3 ARG A 56 150.984 7.078 -4.003 1.00 1.14 H new ATOM 0 HD2 ARG A 56 153.009 5.399 -5.564 1.00 1.31 H new ATOM 0 HD3 ARG A 56 152.383 6.895 -6.227 1.00 1.31 H new ATOM 0 HE ARG A 56 154.226 6.671 -3.919 1.00 1.33 H new ATOM 0 HH11 ARG A 56 154.232 9.002 -5.801 1.00 2.36 H new ATOM 0 HH12 ARG A 56 153.501 10.282 -4.826 1.00 2.36 H new ATOM 0 HH21 ARG A 56 152.138 8.067 -2.489 1.00 2.46 H new ATOM 0 HH22 ARG A 56 152.326 9.757 -2.967 1.00 2.46 H new ATOM 938 N LYS A 57 152.061 2.037 -2.607 1.00 0.72 N ATOM 939 CA LYS A 57 153.038 1.046 -2.074 1.00 0.75 C ATOM 940 C LYS A 57 152.972 -0.247 -2.892 1.00 0.71 C ATOM 941 O LYS A 57 153.957 -0.695 -3.442 1.00 0.71 O ATOM 942 CB LYS A 57 152.596 0.791 -0.632 1.00 0.83 C ATOM 943 CG LYS A 57 153.643 1.352 0.332 1.00 1.10 C ATOM 944 CD LYS A 57 153.814 2.852 0.086 1.00 1.27 C ATOM 945 CE LYS A 57 155.266 3.252 0.355 1.00 1.77 C ATOM 946 NZ LYS A 57 155.334 3.488 1.824 1.00 2.36 N ATOM 0 H LYS A 57 151.217 2.159 -2.047 1.00 0.72 H new ATOM 0 HA LYS A 57 154.065 1.406 -2.127 1.00 0.75 H new ATOM 0 HB2 LYS A 57 151.630 1.261 -0.449 1.00 0.83 H new ATOM 0 HB3 LYS A 57 152.468 -0.278 -0.464 1.00 0.83 H new ATOM 0 HG2 LYS A 57 153.335 1.175 1.363 1.00 1.10 H new ATOM 0 HG3 LYS A 57 154.594 0.839 0.191 1.00 1.10 H new ATOM 0 HD2 LYS A 57 153.543 3.096 -0.941 1.00 1.27 H new ATOM 0 HD3 LYS A 57 153.144 3.416 0.735 1.00 1.27 H new ATOM 0 HE2 LYS A 57 155.955 2.465 0.049 1.00 1.77 H new ATOM 0 HE3 LYS A 57 155.538 4.149 -0.202 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 156.301 3.767 2.086 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 154.672 4.247 2.085 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 155.076 2.616 2.328 1.00 2.36 H new ATOM 960 N VAL A 58 151.816 -0.848 -2.977 1.00 0.72 N ATOM 961 CA VAL A 58 151.687 -2.109 -3.763 1.00 0.73 C ATOM 962 C VAL A 58 152.420 -1.972 -5.099 1.00 0.68 C ATOM 963 O VAL A 58 153.159 -2.846 -5.506 1.00 0.68 O ATOM 964 CB VAL A 58 150.185 -2.282 -3.987 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.932 -3.555 -4.797 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.479 -2.392 -2.634 1.00 1.36 C ATOM 0 H VAL A 58 150.956 -0.521 -2.537 1.00 0.72 H new ATOM 0 HA VAL A 58 152.122 -2.966 -3.249 1.00 0.73 H new ATOM 0 HB VAL A 58 149.798 -1.422 -4.533 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.861 -3.678 -4.956 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.436 -3.479 -5.761 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.319 -4.416 -4.252 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.408 -2.515 -2.792 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.867 -3.253 -2.090 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.659 -1.486 -2.055 1.00 1.36 H new ATOM 976 N HIS A 59 152.224 -0.878 -5.783 1.00 0.69 N ATOM 977 CA HIS A 59 152.912 -0.681 -7.091 1.00 0.67 C ATOM 978 C HIS A 59 154.430 -0.701 -6.894 1.00 0.61 C ATOM 979 O HIS A 59 155.137 -1.470 -7.513 1.00 0.61 O ATOM 980 CB HIS A 59 152.452 0.694 -7.576 1.00 0.71 C ATOM 981 CG HIS A 59 151.967 0.591 -8.996 1.00 1.06 C ATOM 982 ND1 HIS A 59 151.000 1.279 -9.686 1.00 1.76 N flip ATOM 983 CD2 HIS A 59 152.498 -0.320 -9.895 1.00 1.80 C flip ATOM 984 CE1 HIS A 59 150.931 0.805 -10.993 1.00 2.09 C flip ATOM 985 NE2 HIS A 59 151.854 -0.157 -11.065 1.00 2.12 N flip ATOM 0 H HIS A 59 151.617 -0.112 -5.493 1.00 0.69 H new ATOM 0 HA HIS A 59 152.673 -1.466 -7.808 1.00 0.67 H new ATOM 0 HB2 HIS A 59 151.654 1.069 -6.935 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.274 1.407 -7.512 1.00 0.71 H new ATOM 0 HD2 HIS A 59 153.285 -1.031 -9.693 1.00 1.80 H new ATOM 0 HE1 HIS A 59 150.273 1.143 -11.780 1.00 2.09 H new ATOM 0 HE2 HIS A 59 152.047 -0.702 -11.905 1.00 2.12 H new ATOM 993 N THR A 60 154.934 0.140 -6.032 1.00 0.59 N ATOM 994 CA THR A 60 156.405 0.172 -5.791 1.00 0.56 C ATOM 995 C THR A 60 156.874 -1.164 -5.211 1.00 0.52 C ATOM 996 O THR A 60 157.898 -1.694 -5.595 1.00 0.51 O ATOM 997 CB THR A 60 156.613 1.298 -4.777 1.00 0.59 C ATOM 998 OG1 THR A 60 155.610 1.220 -3.775 1.00 1.35 O ATOM 999 CG2 THR A 60 156.526 2.650 -5.487 1.00 1.29 C ATOM 0 H THR A 60 154.390 0.807 -5.484 1.00 0.59 H new ATOM 0 HA THR A 60 156.971 0.337 -6.708 1.00 0.56 H new ATOM 0 HB THR A 60 157.596 1.197 -4.316 1.00 0.59 H new ATOM 0 HG1 THR A 60 154.937 1.915 -3.931 1.00 1.35 H new ATOM 0 HG21 THR A 60 156.674 3.451 -4.763 1.00 1.29 H new ATOM 0 HG22 THR A 60 157.297 2.708 -6.255 1.00 1.29 H new ATOM 0 HG23 THR A 60 155.545 2.756 -5.949 1.00 1.29 H new ATOM 1007 N LEU A 61 156.132 -1.712 -4.289 1.00 0.55 N ATOM 1008 CA LEU A 61 156.534 -3.013 -3.683 1.00 0.54 C ATOM 1009 C LEU A 61 156.591 -4.101 -4.758 1.00 0.53 C ATOM 1010 O LEU A 61 157.626 -4.686 -5.007 1.00 0.51 O ATOM 1011 CB LEU A 61 155.443 -3.328 -2.659 1.00 0.63 C ATOM 1012 CG LEU A 61 155.649 -2.466 -1.412 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.394 -2.520 -0.540 1.00 0.76 C ATOM 1014 CD2 LEU A 61 156.844 -2.997 -0.618 1.00 0.80 C ATOM 0 H LEU A 61 155.264 -1.315 -3.929 1.00 0.55 H new ATOM 0 HA LEU A 61 157.522 -2.967 -3.224 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.460 -3.136 -3.089 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.473 -4.385 -2.393 1.00 0.63 H new ATOM 0 HG LEU A 61 155.839 -1.435 -1.711 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.541 -1.906 0.348 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.542 -2.142 -1.105 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.203 -3.551 -0.241 1.00 0.76 H new ATOM 0 HD21 LEU A 61 156.992 -2.384 0.271 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.654 -4.028 -0.320 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.739 -2.958 -1.239 1.00 0.80 H new ATOM 1026 N GLN A 62 155.485 -4.375 -5.396 1.00 0.57 N ATOM 1027 CA GLN A 62 155.472 -5.427 -6.454 1.00 0.61 C ATOM 1028 C GLN A 62 156.719 -5.313 -7.335 1.00 0.59 C ATOM 1029 O GLN A 62 157.535 -6.209 -7.389 1.00 0.64 O ATOM 1030 CB GLN A 62 154.212 -5.148 -7.274 1.00 0.68 C ATOM 1031 CG GLN A 62 153.145 -6.197 -6.951 1.00 0.76 C ATOM 1032 CD GLN A 62 152.161 -6.300 -8.118 1.00 1.04 C ATOM 1033 OE1 GLN A 62 150.988 -6.022 -7.965 1.00 1.85 O ATOM 1034 NE2 GLN A 62 152.591 -6.690 -9.286 1.00 1.12 N ATOM 0 H GLN A 62 154.589 -3.916 -5.230 1.00 0.57 H new ATOM 0 HA GLN A 62 155.473 -6.432 -6.033 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.834 -4.150 -7.051 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.447 -5.169 -8.338 1.00 0.68 H new ATOM 0 HG2 GLN A 62 153.614 -7.164 -6.770 1.00 0.76 H new ATOM 0 HG3 GLN A 62 152.616 -5.924 -6.038 1.00 0.76 H new ATOM 0 HE21 GLN A 62 153.575 -6.923 -9.415 1.00 1.12 H new ATOM 0 HE22 GLN A 62 151.943 -6.761 -10.070 1.00 1.12 H new ATOM 1043 N GLN A 63 156.870 -4.220 -8.030 1.00 0.56 N ATOM 1044 CA GLN A 63 158.064 -4.055 -8.909 1.00 0.59 C ATOM 1045 C GLN A 63 159.325 -4.532 -8.182 1.00 0.56 C ATOM 1046 O GLN A 63 160.220 -5.098 -8.777 1.00 0.56 O ATOM 1047 CB GLN A 63 158.142 -2.554 -9.193 1.00 0.61 C ATOM 1048 CG GLN A 63 157.027 -2.159 -10.162 1.00 0.95 C ATOM 1049 CD GLN A 63 157.067 -3.074 -11.388 1.00 1.41 C ATOM 1050 OE1 GLN A 63 157.989 -3.011 -12.177 1.00 1.75 O ATOM 1051 NE2 GLN A 63 156.100 -3.928 -11.581 1.00 1.72 N ATOM 0 H GLN A 63 156.220 -3.434 -8.028 1.00 0.56 H new ATOM 0 HA GLN A 63 157.987 -4.639 -9.826 1.00 0.59 H new ATOM 0 HB2 GLN A 63 158.047 -1.992 -8.264 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.114 -2.304 -9.619 1.00 0.61 H new ATOM 0 HG2 GLN A 63 156.058 -2.236 -9.669 1.00 0.95 H new ATOM 0 HG3 GLN A 63 157.147 -1.119 -10.467 1.00 0.95 H new ATOM 0 HE21 GLN A 63 155.326 -3.981 -10.918 1.00 1.72 H new ATOM 0 HE22 GLN A 63 156.118 -4.543 -12.394 1.00 1.72 H new ATOM 1060 N ASP A 64 159.402 -4.307 -6.898 1.00 0.55 N ATOM 1061 CA ASP A 64 160.604 -4.748 -6.134 1.00 0.54 C ATOM 1062 C ASP A 64 160.588 -6.269 -5.956 1.00 0.50 C ATOM 1063 O ASP A 64 161.610 -6.892 -5.744 1.00 0.51 O ATOM 1064 CB ASP A 64 160.490 -4.049 -4.779 1.00 0.53 C ATOM 1065 CG ASP A 64 160.259 -2.552 -4.994 1.00 0.79 C ATOM 1066 OD1 ASP A 64 160.453 -2.097 -6.110 1.00 1.21 O ATOM 1067 OD2 ASP A 64 159.893 -1.886 -4.040 1.00 1.43 O ATOM 0 H ASP A 64 158.685 -3.837 -6.345 1.00 0.55 H new ATOM 0 HA ASP A 64 161.534 -4.497 -6.645 1.00 0.54 H new ATOM 0 HB2 ASP A 64 159.667 -4.476 -4.206 1.00 0.53 H new ATOM 0 HB3 ASP A 64 161.399 -4.208 -4.199 1.00 0.53 H new ATOM 1072 N ILE A 65 159.434 -6.872 -6.048 1.00 0.49 N ATOM 1073 CA ILE A 65 159.352 -8.356 -5.890 1.00 0.50 C ATOM 1074 C ILE A 65 159.611 -9.028 -7.240 1.00 0.54 C ATOM 1075 O ILE A 65 160.228 -10.072 -7.317 1.00 0.53 O ATOM 1076 CB ILE A 65 157.925 -8.673 -5.407 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.329 -7.487 -4.639 1.00 0.51 C ATOM 1078 CG2 ILE A 65 157.970 -9.887 -4.477 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.030 -7.925 -3.957 1.00 0.53 C ATOM 0 H ILE A 65 158.545 -6.404 -6.225 1.00 0.49 H new ATOM 0 HA ILE A 65 160.093 -8.723 -5.179 1.00 0.50 H new ATOM 0 HB ILE A 65 157.303 -8.877 -6.278 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.040 -7.127 -3.895 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.134 -6.659 -5.321 1.00 0.51 H new ATOM 0 HG21 ILE A 65 156.963 -10.118 -4.131 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.373 -10.744 -5.017 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.606 -9.666 -3.620 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.604 -7.083 -3.410 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.320 -8.264 -4.711 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.240 -8.739 -3.264 1.00 0.53 H new ATOM 1091 N ASP A 66 159.147 -8.434 -8.305 1.00 0.60 N ATOM 1092 CA ASP A 66 159.370 -9.034 -9.651 1.00 0.67 C ATOM 1093 C ASP A 66 160.865 -9.039 -9.976 1.00 0.62 C ATOM 1094 O ASP A 66 161.420 -10.041 -10.379 1.00 0.61 O ATOM 1095 CB ASP A 66 158.609 -8.130 -10.621 1.00 0.76 C ATOM 1096 CG ASP A 66 157.134 -8.534 -10.644 1.00 1.20 C ATOM 1097 OD1 ASP A 66 156.603 -8.826 -9.585 1.00 2.02 O ATOM 1098 OD2 ASP A 66 156.560 -8.544 -11.721 1.00 1.61 O ATOM 0 H ASP A 66 158.623 -7.559 -8.301 1.00 0.60 H new ATOM 0 HA ASP A 66 159.026 -10.067 -9.710 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.707 -7.088 -10.317 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.035 -8.211 -11.621 1.00 0.76 H new ATOM 1103 N ASP A 67 161.523 -7.926 -9.796 1.00 0.62 N ATOM 1104 CA ASP A 67 162.984 -7.871 -10.087 1.00 0.60 C ATOM 1105 C ASP A 67 163.738 -8.788 -9.122 1.00 0.54 C ATOM 1106 O ASP A 67 164.568 -9.579 -9.522 1.00 0.55 O ATOM 1107 CB ASP A 67 163.381 -6.411 -9.861 1.00 0.62 C ATOM 1108 CG ASP A 67 163.004 -5.582 -11.089 1.00 0.91 C ATOM 1109 OD1 ASP A 67 163.318 -6.010 -12.188 1.00 1.60 O ATOM 1110 OD2 ASP A 67 162.407 -4.533 -10.911 1.00 1.58 O ATOM 0 H ASP A 67 161.113 -7.054 -9.461 1.00 0.62 H new ATOM 0 HA ASP A 67 163.221 -8.201 -11.098 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.878 -6.019 -8.977 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.453 -6.339 -9.676 1.00 0.62 H new ATOM 1115 N LEU A 68 163.450 -8.690 -7.852 1.00 0.54 N ATOM 1116 CA LEU A 68 164.147 -9.559 -6.862 1.00 0.51 C ATOM 1117 C LEU A 68 163.839 -11.031 -7.150 1.00 0.52 C ATOM 1118 O LEU A 68 164.698 -11.885 -7.055 1.00 0.52 O ATOM 1119 CB LEU A 68 163.577 -9.149 -5.503 1.00 0.51 C ATOM 1120 CG LEU A 68 164.233 -7.845 -5.046 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.785 -7.520 -3.620 1.00 0.63 C ATOM 1122 CD2 LEU A 68 165.755 -8.002 -5.078 1.00 0.68 C ATOM 0 H LEU A 68 162.763 -8.047 -7.458 1.00 0.54 H new ATOM 0 HA LEU A 68 165.230 -9.444 -6.900 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.497 -9.020 -5.574 1.00 0.51 H new ATOM 0 HB3 LEU A 68 163.756 -9.935 -4.770 1.00 0.51 H new ATOM 0 HG LEU A 68 163.936 -7.036 -5.713 1.00 0.62 H new ATOM 0 HD11 LEU A 68 164.253 -6.591 -3.295 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.701 -7.409 -3.596 1.00 0.63 H new ATOM 0 HD13 LEU A 68 164.082 -8.329 -2.952 1.00 0.63 H new ATOM 0 HD21 LEU A 68 166.224 -7.073 -4.753 1.00 0.68 H new ATOM 0 HD22 LEU A 68 166.051 -8.811 -4.411 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.076 -8.234 -6.094 1.00 0.68 H new ATOM 1134 N LYS A 69 162.619 -11.332 -7.504 1.00 0.58 N ATOM 1135 CA LYS A 69 162.259 -12.748 -7.800 1.00 0.65 C ATOM 1136 C LYS A 69 163.093 -13.269 -8.973 1.00 0.62 C ATOM 1137 O LYS A 69 163.662 -14.340 -8.915 1.00 0.64 O ATOM 1138 CB LYS A 69 160.775 -12.711 -8.169 1.00 0.80 C ATOM 1139 CG LYS A 69 160.346 -14.084 -8.692 1.00 0.89 C ATOM 1140 CD LYS A 69 160.278 -15.076 -7.530 1.00 1.40 C ATOM 1141 CE LYS A 69 158.829 -15.209 -7.055 1.00 1.60 C ATOM 1142 NZ LYS A 69 158.183 -16.117 -8.043 1.00 2.20 N ATOM 0 H LYS A 69 161.858 -10.660 -7.601 1.00 0.58 H new ATOM 0 HA LYS A 69 162.451 -13.410 -6.955 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.179 -12.439 -7.298 1.00 0.80 H new ATOM 0 HB3 LYS A 69 160.597 -11.949 -8.928 1.00 0.80 H new ATOM 0 HG2 LYS A 69 159.374 -14.011 -9.179 1.00 0.89 H new ATOM 0 HG3 LYS A 69 161.053 -14.436 -9.443 1.00 0.89 H new ATOM 0 HD2 LYS A 69 160.659 -16.047 -7.845 1.00 1.40 H new ATOM 0 HD3 LYS A 69 160.911 -14.736 -6.710 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.780 -15.622 -6.048 1.00 1.60 H new ATOM 0 HE3 LYS A 69 158.332 -14.239 -7.026 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 157.229 -15.767 -8.264 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 158.752 -16.144 -8.913 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 158.117 -17.075 -7.643 1.00 2.20 H new ATOM 1156 N ARG A 70 163.171 -12.517 -10.037 1.00 0.63 N ATOM 1157 CA ARG A 70 163.971 -12.968 -11.212 1.00 0.65 C ATOM 1158 C ARG A 70 165.445 -13.106 -10.821 1.00 0.58 C ATOM 1159 O ARG A 70 166.145 -13.977 -11.297 1.00 0.58 O ATOM 1160 CB ARG A 70 163.793 -11.868 -12.259 1.00 0.73 C ATOM 1161 CG ARG A 70 163.581 -12.501 -13.636 1.00 1.29 C ATOM 1162 CD ARG A 70 164.929 -12.642 -14.347 1.00 1.30 C ATOM 1163 NE ARG A 70 164.588 -13.062 -15.735 1.00 1.67 N ATOM 1164 CZ ARG A 70 164.932 -12.313 -16.746 1.00 2.27 C ATOM 1165 NH1 ARG A 70 166.190 -12.035 -16.954 1.00 3.01 N ATOM 1166 NH2 ARG A 70 164.019 -11.842 -17.550 1.00 2.72 N ATOM 0 H ARG A 70 162.716 -11.610 -10.144 1.00 0.63 H new ATOM 0 HA ARG A 70 163.648 -13.940 -11.586 1.00 0.65 H new ATOM 0 HB2 ARG A 70 162.940 -11.240 -12.001 1.00 0.73 H new ATOM 0 HB3 ARG A 70 164.671 -11.222 -12.276 1.00 0.73 H new ATOM 0 HG2 ARG A 70 163.110 -13.478 -13.530 1.00 1.29 H new ATOM 0 HG3 ARG A 70 162.907 -11.885 -14.231 1.00 1.29 H new ATOM 0 HD2 ARG A 70 165.478 -11.701 -14.343 1.00 1.30 H new ATOM 0 HD3 ARG A 70 165.560 -13.382 -13.854 1.00 1.30 H new ATOM 0 HE ARG A 70 164.086 -13.935 -15.895 1.00 1.67 H new ATOM 0 HH11 ARG A 70 166.904 -12.403 -16.326 1.00 3.01 H new ATOM 0 HH12 ARG A 70 166.459 -11.449 -17.745 1.00 3.01 H new ATOM 0 HH21 ARG A 70 163.036 -12.059 -17.388 1.00 2.72 H new ATOM 0 HH22 ARG A 70 164.288 -11.256 -18.340 1.00 2.72 H new ATOM 1180 N GLN A 71 165.919 -12.251 -9.956 1.00 0.52 N ATOM 1181 CA GLN A 71 167.347 -12.331 -9.532 1.00 0.49 C ATOM 1182 C GLN A 71 167.625 -13.679 -8.860 1.00 0.45 C ATOM 1183 O GLN A 71 168.153 -14.584 -9.471 1.00 0.48 O ATOM 1184 CB GLN A 71 167.528 -11.183 -8.539 1.00 0.45 C ATOM 1185 CG GLN A 71 168.257 -10.026 -9.226 1.00 0.80 C ATOM 1186 CD GLN A 71 167.344 -8.800 -9.271 1.00 0.99 C ATOM 1187 OE1 GLN A 71 166.600 -8.616 -10.214 1.00 1.89 O ATOM 1188 NE2 GLN A 71 167.370 -7.946 -8.285 1.00 1.51 N ATOM 0 H GLN A 71 165.380 -11.501 -9.524 1.00 0.52 H new ATOM 0 HA GLN A 71 168.035 -12.252 -10.374 1.00 0.49 H new ATOM 0 HB2 GLN A 71 166.558 -10.849 -8.172 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.097 -11.523 -7.673 1.00 0.45 H new ATOM 0 HG2 GLN A 71 169.174 -9.789 -8.687 1.00 0.80 H new ATOM 0 HG3 GLN A 71 168.546 -10.314 -10.237 1.00 0.80 H new ATOM 0 HE21 GLN A 71 167.994 -8.100 -7.493 1.00 1.51 H new ATOM 0 HE22 GLN A 71 166.766 -7.124 -8.306 1.00 1.51 H new ATOM 1197 N ASN A 72 167.272 -13.821 -7.610 1.00 0.42 N ATOM 1198 CA ASN A 72 167.510 -15.111 -6.902 1.00 0.42 C ATOM 1199 C ASN A 72 167.229 -16.292 -7.842 1.00 0.49 C ATOM 1200 O ASN A 72 167.805 -17.353 -7.708 1.00 0.54 O ATOM 1201 CB ASN A 72 166.544 -15.070 -5.704 1.00 0.44 C ATOM 1202 CG ASN A 72 165.624 -16.296 -5.679 1.00 0.54 C ATOM 1203 OD1 ASN A 72 164.760 -16.440 -6.521 1.00 0.96 O ATOM 1204 ND2 ASN A 72 165.776 -17.189 -4.740 1.00 0.71 N ATOM 0 H ASN A 72 166.827 -13.096 -7.047 1.00 0.42 H new ATOM 0 HA ASN A 72 168.541 -15.242 -6.574 1.00 0.42 H new ATOM 0 HB2 ASN A 72 167.115 -15.024 -4.777 1.00 0.44 H new ATOM 0 HB3 ASN A 72 165.941 -14.163 -5.753 1.00 0.44 H new ATOM 0 HD21 ASN A 72 165.169 -18.009 -4.713 1.00 0.71 H new ATOM 0 HD22 ASN A 72 166.502 -17.068 -4.033 1.00 0.71 H new ATOM 1211 N ALA A 73 166.360 -16.110 -8.801 1.00 0.53 N ATOM 1212 CA ALA A 73 166.065 -17.219 -9.750 1.00 0.61 C ATOM 1213 C ALA A 73 167.337 -17.561 -10.523 1.00 0.58 C ATOM 1214 O ALA A 73 167.909 -18.621 -10.364 1.00 0.60 O ATOM 1215 CB ALA A 73 164.991 -16.667 -10.688 1.00 0.69 C ATOM 0 H ALA A 73 165.845 -15.245 -8.966 1.00 0.53 H new ATOM 0 HA ALA A 73 165.726 -18.128 -9.253 1.00 0.61 H new ATOM 0 HB1 ALA A 73 164.720 -17.429 -11.419 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.110 -16.390 -10.109 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.376 -15.788 -11.205 1.00 0.69 H new ATOM 1221 N LEU A 74 167.798 -16.657 -11.342 1.00 0.56 N ATOM 1222 CA LEU A 74 169.049 -16.916 -12.106 1.00 0.57 C ATOM 1223 C LEU A 74 170.243 -16.846 -11.150 1.00 0.51 C ATOM 1224 O LEU A 74 171.285 -17.425 -11.392 1.00 0.56 O ATOM 1225 CB LEU A 74 169.121 -15.799 -13.149 1.00 0.62 C ATOM 1226 CG LEU A 74 169.081 -14.441 -12.447 1.00 1.10 C ATOM 1227 CD1 LEU A 74 170.487 -13.845 -12.400 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.149 -13.497 -13.210 1.00 1.84 C ATOM 0 H LEU A 74 167.363 -15.751 -11.515 1.00 0.56 H new ATOM 0 HA LEU A 74 169.063 -17.899 -12.578 1.00 0.57 H new ATOM 0 HB2 LEU A 74 170.037 -15.891 -13.733 1.00 0.62 H new ATOM 0 HB3 LEU A 74 168.288 -15.884 -13.847 1.00 0.62 H new ATOM 0 HG LEU A 74 168.711 -14.571 -11.430 1.00 1.10 H new ATOM 0 HD11 LEU A 74 170.455 -12.877 -11.899 1.00 1.69 H new ATOM 0 HD12 LEU A 74 171.148 -14.516 -11.852 1.00 1.69 H new ATOM 0 HD13 LEU A 74 170.862 -13.716 -13.415 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.121 -12.529 -12.709 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.516 -13.368 -14.228 1.00 1.84 H new ATOM 0 HD23 LEU A 74 167.145 -13.920 -13.237 1.00 1.84 H new ATOM 1240 N LEU A 75 170.089 -16.148 -10.053 1.00 0.44 N ATOM 1241 CA LEU A 75 171.201 -16.045 -9.067 1.00 0.40 C ATOM 1242 C LEU A 75 171.478 -17.423 -8.462 1.00 0.41 C ATOM 1243 O LEU A 75 172.609 -17.857 -8.370 1.00 0.44 O ATOM 1244 CB LEU A 75 170.686 -15.085 -7.994 1.00 0.38 C ATOM 1245 CG LEU A 75 171.261 -13.685 -8.221 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.198 -12.639 -7.884 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.473 -13.478 -7.311 1.00 0.54 C ATOM 0 H LEU A 75 169.239 -15.645 -9.800 1.00 0.44 H new ATOM 0 HA LEU A 75 172.130 -15.693 -9.515 1.00 0.40 H new ATOM 0 HB2 LEU A 75 169.597 -15.048 -8.021 1.00 0.38 H new ATOM 0 HB3 LEU A 75 170.969 -15.447 -7.005 1.00 0.38 H new ATOM 0 HG LEU A 75 171.562 -13.582 -9.263 1.00 0.46 H new ATOM 0 HD11 LEU A 75 170.606 -11.641 -8.045 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.329 -12.784 -8.526 1.00 0.45 H new ATOM 0 HD13 LEU A 75 169.901 -12.745 -6.841 1.00 0.45 H new ATOM 0 HD21 LEU A 75 172.883 -12.481 -7.472 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.168 -13.581 -6.270 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.233 -14.225 -7.542 1.00 0.54 H new ATOM 1259 N GLU A 76 170.448 -18.116 -8.055 1.00 0.43 N ATOM 1260 CA GLU A 76 170.645 -19.468 -7.461 1.00 0.47 C ATOM 1261 C GLU A 76 171.078 -20.455 -8.546 1.00 0.51 C ATOM 1262 O GLU A 76 171.852 -21.360 -8.304 1.00 0.57 O ATOM 1263 CB GLU A 76 169.279 -19.857 -6.894 1.00 0.53 C ATOM 1264 CG GLU A 76 169.472 -20.732 -5.654 1.00 0.65 C ATOM 1265 CD GLU A 76 168.183 -20.743 -4.829 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.120 -20.703 -5.427 1.00 0.92 O ATOM 1267 OE2 GLU A 76 168.281 -20.790 -3.614 1.00 1.65 O ATOM 0 H GLU A 76 169.479 -17.803 -8.109 1.00 0.43 H new ATOM 0 HA GLU A 76 171.418 -19.476 -6.693 1.00 0.47 H new ATOM 0 HB2 GLU A 76 168.712 -18.962 -6.636 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.701 -20.395 -7.646 1.00 0.53 H new ATOM 0 HG2 GLU A 76 169.735 -21.747 -5.950 1.00 0.65 H new ATOM 0 HG3 GLU A 76 170.298 -20.351 -5.053 1.00 0.65 H new ATOM 1274 N GLN A 77 170.592 -20.282 -9.746 1.00 0.51 N ATOM 1275 CA GLN A 77 170.984 -21.205 -10.848 1.00 0.58 C ATOM 1276 C GLN A 77 172.485 -21.077 -11.119 1.00 0.58 C ATOM 1277 O GLN A 77 173.076 -21.885 -11.809 1.00 0.63 O ATOM 1278 CB GLN A 77 170.176 -20.743 -12.062 1.00 0.62 C ATOM 1279 CG GLN A 77 169.288 -21.890 -12.550 1.00 0.74 C ATOM 1280 CD GLN A 77 168.398 -22.371 -11.403 1.00 1.26 C ATOM 1281 OE1 GLN A 77 168.812 -23.178 -10.594 1.00 1.80 O ATOM 1282 NE2 GLN A 77 167.182 -21.907 -11.297 1.00 1.88 N ATOM 0 H GLN A 77 169.941 -19.542 -10.010 1.00 0.51 H new ATOM 0 HA GLN A 77 170.787 -22.250 -10.608 1.00 0.58 H new ATOM 0 HB2 GLN A 77 169.563 -19.881 -11.798 1.00 0.62 H new ATOM 0 HB3 GLN A 77 170.847 -20.424 -12.859 1.00 0.62 H new ATOM 0 HG2 GLN A 77 168.673 -21.557 -13.386 1.00 0.74 H new ATOM 0 HG3 GLN A 77 169.905 -22.711 -12.915 1.00 0.74 H new ATOM 0 HE21 GLN A 77 166.834 -21.230 -11.975 1.00 1.88 H new ATOM 0 HE22 GLN A 77 166.581 -22.222 -10.536 1.00 1.88 H new ATOM 1291 N GLN A 78 173.111 -20.079 -10.556 1.00 0.59 N ATOM 1292 CA GLN A 78 174.575 -19.905 -10.756 1.00 0.64 C ATOM 1293 C GLN A 78 175.271 -20.216 -9.440 1.00 0.60 C ATOM 1294 O GLN A 78 176.288 -20.879 -9.391 1.00 0.63 O ATOM 1295 CB GLN A 78 174.761 -18.436 -11.137 1.00 0.69 C ATOM 1296 CG GLN A 78 176.242 -18.160 -11.399 1.00 0.67 C ATOM 1297 CD GLN A 78 176.551 -18.394 -12.879 1.00 0.83 C ATOM 1298 OE1 GLN A 78 177.524 -19.040 -13.214 1.00 1.37 O ATOM 1299 NE2 GLN A 78 175.757 -17.892 -13.785 1.00 1.56 N ATOM 0 H GLN A 78 172.669 -19.376 -9.965 1.00 0.59 H new ATOM 0 HA GLN A 78 174.989 -20.559 -11.524 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.174 -18.203 -12.025 1.00 0.69 H new ATOM 0 HB3 GLN A 78 174.396 -17.793 -10.336 1.00 0.69 H new ATOM 0 HG2 GLN A 78 176.486 -17.134 -11.124 1.00 0.67 H new ATOM 0 HG3 GLN A 78 176.859 -18.811 -10.780 1.00 0.67 H new ATOM 0 HE21 GLN A 78 174.940 -17.350 -13.503 1.00 1.56 H new ATOM 0 HE22 GLN A 78 175.953 -18.042 -14.775 1.00 1.56 H new ATOM 1308 N VAL A 79 174.694 -19.763 -8.367 1.00 0.59 N ATOM 1309 CA VAL A 79 175.267 -20.043 -7.030 1.00 0.60 C ATOM 1310 C VAL A 79 175.309 -21.562 -6.818 1.00 0.63 C ATOM 1311 O VAL A 79 175.992 -22.063 -5.948 1.00 0.68 O ATOM 1312 CB VAL A 79 174.296 -19.344 -6.065 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.026 -20.214 -4.839 1.00 0.73 C ATOM 1314 CG2 VAL A 79 174.906 -18.016 -5.613 1.00 0.72 C ATOM 0 H VAL A 79 173.840 -19.205 -8.361 1.00 0.59 H new ATOM 0 HA VAL A 79 176.287 -19.687 -6.889 1.00 0.60 H new ATOM 0 HB VAL A 79 173.353 -19.172 -6.584 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.336 -19.698 -4.171 1.00 0.73 H new ATOM 0 HG12 VAL A 79 173.586 -21.160 -5.154 1.00 0.73 H new ATOM 0 HG13 VAL A 79 174.963 -20.406 -4.316 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.221 -17.516 -4.928 1.00 0.72 H new ATOM 0 HG22 VAL A 79 175.853 -18.204 -5.107 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.079 -17.381 -6.482 1.00 0.72 H new ATOM 1324 N ARG A 80 174.581 -22.292 -7.620 1.00 0.67 N ATOM 1325 CA ARG A 80 174.571 -23.776 -7.487 1.00 0.78 C ATOM 1326 C ARG A 80 175.224 -24.412 -8.716 1.00 0.81 C ATOM 1327 O ARG A 80 176.037 -25.308 -8.606 1.00 0.90 O ATOM 1328 CB ARG A 80 173.092 -24.157 -7.408 1.00 0.89 C ATOM 1329 CG ARG A 80 172.964 -25.632 -7.024 1.00 1.02 C ATOM 1330 CD ARG A 80 173.473 -25.834 -5.595 1.00 1.66 C ATOM 1331 NE ARG A 80 172.912 -27.146 -5.169 1.00 1.98 N ATOM 1332 CZ ARG A 80 173.019 -27.530 -3.927 1.00 2.33 C ATOM 1333 NH1 ARG A 80 174.090 -28.161 -3.529 1.00 2.76 N ATOM 1334 NH2 ARG A 80 172.057 -27.281 -3.082 1.00 2.85 N ATOM 0 H ARG A 80 173.990 -21.922 -8.365 1.00 0.67 H new ATOM 0 HA ARG A 80 175.125 -24.120 -6.614 1.00 0.78 H new ATOM 0 HB2 ARG A 80 172.584 -23.533 -6.672 1.00 0.89 H new ATOM 0 HB3 ARG A 80 172.608 -23.977 -8.368 1.00 0.89 H new ATOM 0 HG2 ARG A 80 171.924 -25.949 -7.099 1.00 1.02 H new ATOM 0 HG3 ARG A 80 173.536 -26.250 -7.716 1.00 1.02 H new ATOM 0 HD2 ARG A 80 174.562 -25.841 -5.561 1.00 1.66 H new ATOM 0 HD3 ARG A 80 173.139 -25.030 -4.939 1.00 1.66 H new ATOM 0 HE ARG A 80 172.444 -27.745 -5.849 1.00 1.98 H new ATOM 0 HH11 ARG A 80 174.843 -28.354 -4.189 1.00 2.76 H new ATOM 0 HH12 ARG A 80 174.174 -28.461 -2.558 1.00 2.76 H new ATOM 0 HH21 ARG A 80 171.221 -26.786 -3.392 1.00 2.85 H new ATOM 0 HH22 ARG A 80 172.141 -27.581 -2.111 1.00 2.85 H new ATOM 1348 N ALA A 81 174.876 -23.954 -9.890 1.00 0.82 N ATOM 1349 CA ALA A 81 175.482 -24.533 -11.123 1.00 0.96 C ATOM 1350 C ALA A 81 177.001 -24.635 -10.962 1.00 0.96 C ATOM 1351 O ALA A 81 177.649 -25.447 -11.592 1.00 1.23 O ATOM 1352 CB ALA A 81 175.125 -23.551 -12.239 1.00 1.04 C ATOM 0 H ALA A 81 174.200 -23.206 -10.047 1.00 0.82 H new ATOM 0 HA ALA A 81 175.115 -25.537 -11.334 1.00 0.96 H new ATOM 0 HB1 ALA A 81 175.537 -23.908 -13.183 1.00 1.04 H new ATOM 0 HB2 ALA A 81 174.041 -23.473 -12.322 1.00 1.04 H new ATOM 0 HB3 ALA A 81 175.542 -22.571 -12.008 1.00 1.04 H new ATOM 1358 N LEU A 82 177.573 -23.817 -10.120 1.00 0.83 N ATOM 1359 CA LEU A 82 179.049 -23.868 -9.916 1.00 0.86 C ATOM 1360 C LEU A 82 179.367 -24.280 -8.476 1.00 0.74 C ATOM 1361 O LEU A 82 180.214 -25.117 -8.233 1.00 1.11 O ATOM 1362 CB LEU A 82 179.538 -22.446 -10.189 1.00 1.10 C ATOM 1363 CG LEU A 82 180.934 -22.498 -10.812 1.00 1.32 C ATOM 1364 CD1 LEU A 82 181.287 -21.128 -11.393 1.00 1.68 C ATOM 1365 CD2 LEU A 82 181.957 -22.874 -9.738 1.00 1.67 C ATOM 0 H LEU A 82 177.082 -23.116 -9.565 1.00 0.83 H new ATOM 0 HA LEU A 82 179.532 -24.595 -10.569 1.00 0.86 H new ATOM 0 HB2 LEU A 82 178.847 -21.935 -10.860 1.00 1.10 H new ATOM 0 HB3 LEU A 82 179.563 -21.874 -9.261 1.00 1.10 H new ATOM 0 HG LEU A 82 180.948 -23.244 -11.607 1.00 1.32 H new ATOM 0 HD11 LEU A 82 182.282 -21.166 -11.837 1.00 1.68 H new ATOM 0 HD12 LEU A 82 180.559 -20.859 -12.158 1.00 1.68 H new ATOM 0 HD13 LEU A 82 181.272 -20.381 -10.599 1.00 1.68 H new ATOM 0 HD21 LEU A 82 182.952 -22.911 -10.181 1.00 1.67 H new ATOM 0 HD22 LEU A 82 181.941 -22.128 -8.943 1.00 1.67 H new ATOM 0 HD23 LEU A 82 181.707 -23.851 -9.324 1.00 1.67 H new ATOM 1377 N GLU A 83 178.693 -23.702 -7.519 1.00 0.89 N ATOM 1378 CA GLU A 83 178.958 -24.067 -6.097 1.00 0.79 C ATOM 1379 C GLU A 83 178.324 -25.422 -5.773 1.00 0.87 C ATOM 1380 O GLU A 83 177.568 -25.556 -4.832 1.00 1.43 O ATOM 1381 CB GLU A 83 178.303 -22.957 -5.272 1.00 0.94 C ATOM 1382 CG GLU A 83 179.207 -22.597 -4.092 1.00 1.03 C ATOM 1383 CD GLU A 83 178.367 -22.497 -2.817 1.00 1.40 C ATOM 1384 OE1 GLU A 83 177.438 -21.707 -2.803 1.00 1.90 O ATOM 1385 OE2 GLU A 83 178.668 -23.213 -1.876 1.00 1.86 O ATOM 0 H GLU A 83 177.972 -22.994 -7.659 1.00 0.89 H new ATOM 0 HA GLU A 83 180.024 -24.156 -5.886 1.00 0.79 H new ATOM 0 HB2 GLU A 83 178.133 -22.079 -5.895 1.00 0.94 H new ATOM 0 HB3 GLU A 83 177.328 -23.285 -4.910 1.00 0.94 H new ATOM 0 HG2 GLU A 83 179.983 -23.353 -3.971 1.00 1.03 H new ATOM 0 HG3 GLU A 83 179.712 -21.650 -4.283 1.00 1.03 H new ATOM 1392 N GLY A 84 178.626 -26.428 -6.548 1.00 0.96 N ATOM 1393 CA GLY A 84 178.043 -27.773 -6.288 1.00 1.08 C ATOM 1394 C GLY A 84 179.129 -28.837 -6.452 1.00 1.16 C ATOM 1395 O GLY A 84 179.314 -29.686 -5.604 1.00 1.64 O ATOM 0 H GLY A 84 179.253 -26.375 -7.351 1.00 0.96 H new ATOM 0 HA2 GLY A 84 177.628 -27.813 -5.281 1.00 1.08 H new ATOM 0 HA3 GLY A 84 177.222 -27.966 -6.979 1.00 1.08 H new ATOM 1399 N SER A 85 179.851 -28.795 -7.539 1.00 1.24 N ATOM 1400 CA SER A 85 180.929 -29.802 -7.757 1.00 1.67 C ATOM 1401 C SER A 85 182.283 -29.221 -7.343 1.00 1.55 C ATOM 1402 O SER A 85 183.253 -29.935 -7.180 1.00 1.96 O ATOM 1403 CB SER A 85 180.904 -30.089 -9.258 1.00 2.27 C ATOM 1404 OG SER A 85 179.585 -30.450 -9.645 1.00 2.58 O ATOM 0 H SER A 85 179.741 -28.108 -8.285 1.00 1.24 H new ATOM 0 HA SER A 85 180.777 -30.706 -7.167 1.00 1.67 H new ATOM 0 HB2 SER A 85 181.231 -29.210 -9.814 1.00 2.27 H new ATOM 0 HB3 SER A 85 181.599 -30.894 -9.498 1.00 2.27 H new ATOM 0 HG SER A 85 179.565 -30.633 -10.608 1.00 2.58 H new ATOM 1410 N GLY A 86 182.356 -27.929 -7.171 1.00 1.70 N ATOM 1411 CA GLY A 86 183.646 -27.303 -6.767 1.00 1.62 C ATOM 1412 C GLY A 86 184.451 -26.934 -8.013 1.00 1.41 C ATOM 1413 O GLY A 86 185.601 -27.300 -8.152 1.00 1.62 O ATOM 0 H GLY A 86 181.578 -27.281 -7.293 1.00 1.70 H new ATOM 0 HA2 GLY A 86 183.457 -26.413 -6.167 1.00 1.62 H new ATOM 0 HA3 GLY A 86 184.217 -27.992 -6.144 1.00 1.62 H new ATOM 1417 N CYS A 87 183.858 -26.209 -8.922 1.00 1.60 N ATOM 1418 CA CYS A 87 184.594 -25.817 -10.157 1.00 1.63 C ATOM 1419 C CYS A 87 185.211 -27.051 -10.821 1.00 1.76 C ATOM 1420 O CYS A 87 186.177 -26.887 -11.549 1.00 2.10 O ATOM 1421 CB CYS A 87 185.690 -24.867 -9.676 1.00 1.80 C ATOM 1422 SG CYS A 87 184.936 -23.402 -8.931 1.00 2.10 S ATOM 1423 OXT CYS A 87 184.708 -28.138 -10.590 1.00 2.16 O ATOM 0 H CYS A 87 182.897 -25.872 -8.863 1.00 1.60 H new ATOM 0 HA CYS A 87 183.942 -25.351 -10.896 1.00 1.63 H new ATOM 0 HB2 CYS A 87 186.328 -25.370 -8.949 1.00 1.80 H new ATOM 0 HB3 CYS A 87 186.326 -24.576 -10.512 1.00 1.80 H new TER 1428 CYS A 87 ATOM 1429 N MET B 1 116.381 40.214 6.514 1.00 2.38 N ATOM 1430 CA MET B 1 115.584 39.528 7.573 1.00 2.00 C ATOM 1431 C MET B 1 115.272 38.089 7.151 1.00 1.66 C ATOM 1432 O MET B 1 115.817 37.144 7.686 1.00 2.10 O ATOM 1433 CB MET B 1 114.295 40.342 7.692 1.00 2.12 C ATOM 1434 CG MET B 1 114.452 41.388 8.798 1.00 2.07 C ATOM 1435 SD MET B 1 113.987 40.658 10.388 1.00 2.72 S ATOM 1436 CE MET B 1 112.631 41.795 10.770 1.00 2.97 C ATOM 0 H1 MET B 1 116.587 41.189 6.811 1.00 2.38 H new ATOM 0 H2 MET B 1 117.274 39.702 6.365 1.00 2.38 H new ATOM 0 H3 MET B 1 115.839 40.230 5.627 1.00 2.38 H new ATOM 0 HA MET B 1 116.120 39.473 8.521 1.00 2.00 H new ATOM 0 HB2 MET B 1 114.072 40.831 6.744 1.00 2.12 H new ATOM 0 HB3 MET B 1 113.456 39.683 7.916 1.00 2.12 H new ATOM 0 HG2 MET B 1 115.482 41.742 8.835 1.00 2.07 H new ATOM 0 HG3 MET B 1 113.825 42.254 8.586 1.00 2.07 H new ATOM 0 HE1 MET B 1 112.189 41.525 11.729 1.00 2.97 H new ATOM 0 HE2 MET B 1 113.014 42.814 10.821 1.00 2.97 H new ATOM 0 HE3 MET B 1 111.872 41.731 9.990 1.00 2.97 H new ATOM 1448 N ALA B 2 114.399 37.916 6.197 1.00 1.37 N ATOM 1449 CA ALA B 2 114.053 36.538 5.743 1.00 1.25 C ATOM 1450 C ALA B 2 114.169 36.435 4.220 1.00 1.17 C ATOM 1451 O ALA B 2 114.753 37.282 3.574 1.00 1.49 O ATOM 1452 CB ALA B 2 112.605 36.327 6.186 1.00 1.62 C ATOM 0 H ALA B 2 113.910 38.668 5.712 1.00 1.37 H new ATOM 0 HA ALA B 2 114.722 35.786 6.162 1.00 1.25 H new ATOM 0 HB1 ALA B 2 112.275 35.332 5.888 1.00 1.62 H new ATOM 0 HB2 ALA B 2 112.539 36.422 7.270 1.00 1.62 H new ATOM 0 HB3 ALA B 2 111.968 37.077 5.717 1.00 1.62 H new ATOM 1458 N ASP B 3 113.617 35.403 3.644 1.00 1.24 N ATOM 1459 CA ASP B 3 113.695 35.244 2.163 1.00 1.38 C ATOM 1460 C ASP B 3 115.146 35.016 1.731 1.00 1.25 C ATOM 1461 O ASP B 3 115.474 35.088 0.563 1.00 1.36 O ATOM 1462 CB ASP B 3 113.165 36.561 1.594 1.00 1.82 C ATOM 1463 CG ASP B 3 112.730 36.352 0.143 1.00 2.15 C ATOM 1464 OD1 ASP B 3 111.965 35.433 -0.099 1.00 2.89 O ATOM 1465 OD2 ASP B 3 113.170 37.114 -0.702 1.00 2.39 O ATOM 0 H ASP B 3 113.115 34.663 4.134 1.00 1.24 H new ATOM 0 HA ASP B 3 113.121 34.388 1.809 1.00 1.38 H new ATOM 0 HB2 ASP B 3 112.323 36.914 2.190 1.00 1.82 H new ATOM 0 HB3 ASP B 3 113.937 37.329 1.646 1.00 1.82 H new ATOM 1470 N LYS B 4 116.016 34.740 2.664 1.00 1.22 N ATOM 1471 CA LYS B 4 117.445 34.506 2.305 1.00 1.21 C ATOM 1472 C LYS B 4 117.905 35.538 1.272 1.00 1.14 C ATOM 1473 O LYS B 4 117.986 35.256 0.093 1.00 1.36 O ATOM 1474 CB LYS B 4 117.479 33.098 1.711 1.00 1.37 C ATOM 1475 CG LYS B 4 118.576 32.281 2.396 1.00 1.70 C ATOM 1476 CD LYS B 4 117.980 30.982 2.943 1.00 1.52 C ATOM 1477 CE LYS B 4 118.485 30.750 4.369 1.00 2.06 C ATOM 1478 NZ LYS B 4 119.961 30.606 4.236 1.00 2.41 N ATOM 0 H LYS B 4 115.800 34.666 3.658 1.00 1.22 H new ATOM 0 HA LYS B 4 118.109 34.600 3.165 1.00 1.21 H new ATOM 0 HB2 LYS B 4 116.512 32.612 1.844 1.00 1.37 H new ATOM 0 HB3 LYS B 4 117.665 33.149 0.638 1.00 1.37 H new ATOM 0 HG2 LYS B 4 119.374 32.057 1.687 1.00 1.70 H new ATOM 0 HG3 LYS B 4 119.022 32.858 3.206 1.00 1.70 H new ATOM 0 HD2 LYS B 4 116.891 31.037 2.936 1.00 1.52 H new ATOM 0 HD3 LYS B 4 118.261 30.144 2.305 1.00 1.52 H new ATOM 0 HE2 LYS B 4 118.227 31.585 5.020 1.00 2.06 H new ATOM 0 HE3 LYS B 4 118.039 29.856 4.805 1.00 2.06 H new ATOM 0 HZ1 LYS B 4 120.326 30.033 5.023 1.00 2.41 H new ATOM 0 HZ2 LYS B 4 120.184 30.138 3.334 1.00 2.41 H new ATOM 0 HZ3 LYS B 4 120.405 31.546 4.257 1.00 2.41 H new ATOM 1492 N ARG B 5 118.207 36.731 1.706 1.00 0.99 N ATOM 1493 CA ARG B 5 118.661 37.781 0.749 1.00 0.97 C ATOM 1494 C ARG B 5 119.988 37.372 0.104 1.00 1.07 C ATOM 1495 O ARG B 5 121.048 37.774 0.541 1.00 1.44 O ATOM 1496 CB ARG B 5 118.843 39.037 1.601 1.00 0.97 C ATOM 1497 CG ARG B 5 118.493 40.274 0.770 1.00 1.02 C ATOM 1498 CD ARG B 5 119.397 41.438 1.182 1.00 1.13 C ATOM 1499 NE ARG B 5 118.839 42.624 0.477 1.00 1.39 N ATOM 1500 CZ ARG B 5 118.207 43.546 1.150 1.00 1.71 C ATOM 1501 NH1 ARG B 5 118.715 44.007 2.260 1.00 2.27 N ATOM 1502 NH2 ARG B 5 117.066 44.006 0.714 1.00 2.32 N ATOM 0 H ARG B 5 118.159 37.025 2.682 1.00 0.99 H new ATOM 0 HA ARG B 5 117.950 37.937 -0.062 1.00 0.97 H new ATOM 0 HB2 ARG B 5 118.205 38.986 2.483 1.00 0.97 H new ATOM 0 HB3 ARG B 5 119.872 39.103 1.955 1.00 0.97 H new ATOM 0 HG2 ARG B 5 118.619 40.060 -0.291 1.00 1.02 H new ATOM 0 HG3 ARG B 5 117.447 40.541 0.919 1.00 1.02 H new ATOM 0 HD2 ARG B 5 119.389 41.581 2.263 1.00 1.13 H new ATOM 0 HD3 ARG B 5 120.432 41.257 0.892 1.00 1.13 H new ATOM 0 HE ARG B 5 118.951 42.716 -0.533 1.00 1.39 H new ATOM 0 HH11 ARG B 5 119.606 43.647 2.601 1.00 2.27 H new ATOM 0 HH12 ARG B 5 118.221 44.728 2.786 1.00 2.27 H new ATOM 0 HH21 ARG B 5 116.668 43.645 -0.153 1.00 2.32 H new ATOM 0 HH22 ARG B 5 116.572 44.727 1.240 1.00 2.32 H new ATOM 1516 N ALA B 6 119.937 36.579 -0.931 1.00 1.17 N ATOM 1517 CA ALA B 6 121.195 36.144 -1.606 1.00 1.27 C ATOM 1518 C ALA B 6 122.268 35.812 -0.564 1.00 1.25 C ATOM 1519 O ALA B 6 121.984 35.262 0.481 1.00 1.58 O ATOM 1520 CB ALA B 6 121.623 37.341 -2.455 1.00 1.40 C ATOM 0 H ALA B 6 119.077 36.212 -1.340 1.00 1.17 H new ATOM 0 HA ALA B 6 121.051 35.247 -2.209 1.00 1.27 H new ATOM 0 HB1 ALA B 6 122.544 37.100 -2.985 1.00 1.40 H new ATOM 0 HB2 ALA B 6 120.840 37.574 -3.176 1.00 1.40 H new ATOM 0 HB3 ALA B 6 121.791 38.203 -1.810 1.00 1.40 H new ATOM 1526 N HIS B 7 123.499 36.147 -0.841 1.00 1.41 N ATOM 1527 CA HIS B 7 124.591 35.855 0.134 1.00 1.46 C ATOM 1528 C HIS B 7 124.629 34.360 0.460 1.00 1.45 C ATOM 1529 O HIS B 7 123.732 33.616 0.118 1.00 2.02 O ATOM 1530 CB HIS B 7 124.236 36.665 1.381 1.00 1.54 C ATOM 1531 CG HIS B 7 124.232 38.130 1.042 1.00 1.54 C ATOM 1532 ND1 HIS B 7 125.074 38.668 0.082 1.00 1.72 N ATOM 1533 CD2 HIS B 7 123.496 39.182 1.528 1.00 1.99 C ATOM 1534 CE1 HIS B 7 124.827 39.990 0.020 1.00 1.87 C ATOM 1535 NE2 HIS B 7 123.873 40.356 0.881 1.00 2.05 N ATOM 0 H HIS B 7 123.797 36.610 -1.700 1.00 1.41 H new ATOM 0 HA HIS B 7 125.573 36.118 -0.259 1.00 1.46 H new ATOM 0 HB2 HIS B 7 123.258 36.365 1.756 1.00 1.54 H new ATOM 0 HB3 HIS B 7 124.957 36.466 2.174 1.00 1.54 H new ATOM 0 HD2 HIS B 7 122.740 39.110 2.295 1.00 1.99 H new ATOM 0 HE1 HIS B 7 125.338 40.671 -0.644 1.00 1.87 H new ATOM 0 HE2 HIS B 7 123.501 41.294 1.032 1.00 2.05 H new ATOM 1543 N HIS B 8 125.663 33.917 1.122 1.00 1.26 N ATOM 1544 CA HIS B 8 125.762 32.472 1.474 1.00 1.35 C ATOM 1545 C HIS B 8 126.484 32.304 2.814 1.00 1.37 C ATOM 1546 O HIS B 8 127.458 32.975 3.093 1.00 1.93 O ATOM 1547 CB HIS B 8 126.576 31.843 0.343 1.00 1.42 C ATOM 1548 CG HIS B 8 125.746 30.798 -0.351 1.00 1.86 C ATOM 1549 ND1 HIS B 8 124.428 30.780 -0.734 1.00 1.93 N flip ATOM 1550 CD2 HIS B 8 126.270 29.575 -0.738 1.00 2.73 C flip ATOM 1551 CE1 HIS B 8 124.136 29.566 -1.349 1.00 2.73 C flip ATOM 1552 NE2 HIS B 8 125.280 28.877 -1.325 1.00 3.23 N flip ATOM 0 H HIS B 8 126.444 34.494 1.434 1.00 1.26 H new ATOM 0 HA HIS B 8 124.783 32.004 1.579 1.00 1.35 H new ATOM 0 HB2 HIS B 8 126.884 32.610 -0.368 1.00 1.42 H new ATOM 0 HB3 HIS B 8 127.486 31.394 0.741 1.00 1.42 H new ATOM 0 HD1 HIS B 8 123.764 31.540 -0.590 1.00 1.93 H new ATOM 0 HD2 HIS B 8 127.287 29.242 -0.595 1.00 2.73 H new ATOM 0 HE1 HIS B 8 123.188 29.249 -1.758 1.00 2.73 H new ATOM 1560 N ASN B 9 126.012 31.416 3.645 1.00 1.07 N ATOM 1561 CA ASN B 9 126.670 31.209 4.967 1.00 1.20 C ATOM 1562 C ASN B 9 126.445 29.773 5.449 1.00 1.25 C ATOM 1563 O ASN B 9 125.441 29.159 5.150 1.00 1.55 O ATOM 1564 CB ASN B 9 125.991 32.203 5.908 1.00 1.29 C ATOM 1565 CG ASN B 9 127.045 33.120 6.531 1.00 1.51 C ATOM 1566 OD1 ASN B 9 128.169 32.714 6.746 1.00 2.01 O ATOM 1567 ND2 ASN B 9 126.726 34.349 6.834 1.00 1.85 N ATOM 0 H ASN B 9 125.200 30.825 3.467 1.00 1.07 H new ATOM 0 HA ASN B 9 127.748 31.364 4.921 1.00 1.20 H new ATOM 0 HB2 ASN B 9 125.257 32.795 5.361 1.00 1.29 H new ATOM 0 HB3 ASN B 9 125.451 31.669 6.690 1.00 1.29 H new ATOM 0 HD21 ASN B 9 127.421 34.968 7.251 1.00 1.85 H new ATOM 0 HD22 ASN B 9 125.782 34.690 6.653 1.00 1.85 H new ATOM 1574 N ALA B 10 127.372 29.235 6.193 1.00 1.41 N ATOM 1575 CA ALA B 10 127.208 27.840 6.694 1.00 1.57 C ATOM 1576 C ALA B 10 127.081 27.838 8.220 1.00 1.56 C ATOM 1577 O ALA B 10 128.034 27.593 8.932 1.00 1.79 O ATOM 1578 CB ALA B 10 128.481 27.112 6.261 1.00 1.76 C ATOM 0 H ALA B 10 128.235 29.700 6.476 1.00 1.41 H new ATOM 0 HA ALA B 10 126.311 27.362 6.300 1.00 1.57 H new ATOM 0 HB1 ALA B 10 128.438 26.075 6.593 1.00 1.76 H new ATOM 0 HB2 ALA B 10 128.566 27.142 5.175 1.00 1.76 H new ATOM 0 HB3 ALA B 10 129.348 27.600 6.706 1.00 1.76 H new ATOM 1584 N LEU B 11 125.910 28.112 8.727 1.00 1.49 N ATOM 1585 CA LEU B 11 125.722 28.127 10.206 1.00 1.59 C ATOM 1586 C LEU B 11 125.229 26.761 10.692 1.00 1.73 C ATOM 1587 O LEU B 11 124.654 26.641 11.755 1.00 1.92 O ATOM 1588 CB LEU B 11 124.663 29.201 10.459 1.00 1.64 C ATOM 1589 CG LEU B 11 124.742 29.664 11.914 1.00 1.68 C ATOM 1590 CD1 LEU B 11 124.906 31.184 11.958 1.00 2.19 C ATOM 1591 CD2 LEU B 11 123.455 29.271 12.644 1.00 1.74 C ATOM 0 H LEU B 11 125.075 28.326 8.181 1.00 1.49 H new ATOM 0 HA LEU B 11 126.650 28.336 10.738 1.00 1.59 H new ATOM 0 HB2 LEU B 11 124.820 30.046 9.789 1.00 1.64 H new ATOM 0 HB3 LEU B 11 123.670 28.805 10.246 1.00 1.64 H new ATOM 0 HG LEU B 11 125.596 29.192 12.399 1.00 1.68 H new ATOM 0 HD11 LEU B 11 124.962 31.514 12.995 1.00 2.19 H new ATOM 0 HD12 LEU B 11 125.821 31.466 11.437 1.00 2.19 H new ATOM 0 HD13 LEU B 11 124.052 31.656 11.473 1.00 2.19 H new ATOM 0 HD21 LEU B 11 123.510 29.601 13.682 1.00 1.74 H new ATOM 0 HD22 LEU B 11 122.602 29.744 12.158 1.00 1.74 H new ATOM 0 HD23 LEU B 11 123.335 28.188 12.613 1.00 1.74 H new ATOM 1603 N GLU B 12 125.450 25.731 9.921 1.00 1.78 N ATOM 1604 CA GLU B 12 124.994 24.375 10.340 1.00 1.98 C ATOM 1605 C GLU B 12 125.958 23.306 9.815 1.00 2.10 C ATOM 1606 O GLU B 12 125.675 22.619 8.855 1.00 2.31 O ATOM 1607 CB GLU B 12 123.612 24.209 9.706 1.00 2.04 C ATOM 1608 CG GLU B 12 123.728 24.345 8.186 1.00 2.17 C ATOM 1609 CD GLU B 12 123.115 25.675 7.744 1.00 2.60 C ATOM 1610 OE1 GLU B 12 121.923 25.699 7.487 1.00 3.16 O ATOM 1611 OE2 GLU B 12 123.849 26.646 7.668 1.00 2.87 O ATOM 0 H GLU B 12 125.926 25.770 9.020 1.00 1.78 H new ATOM 0 HA GLU B 12 124.961 24.267 11.424 1.00 1.98 H new ATOM 0 HB2 GLU B 12 123.196 23.235 9.964 1.00 2.04 H new ATOM 0 HB3 GLU B 12 122.928 24.961 10.098 1.00 2.04 H new ATOM 0 HG2 GLU B 12 124.774 24.297 7.885 1.00 2.17 H new ATOM 0 HG3 GLU B 12 123.217 23.516 7.696 1.00 2.17 H new ATOM 1618 N ARG B 13 127.095 23.163 10.440 1.00 2.12 N ATOM 1619 CA ARG B 13 128.077 22.139 9.978 1.00 2.32 C ATOM 1620 C ARG B 13 127.368 20.807 9.712 1.00 2.34 C ATOM 1621 O ARG B 13 127.239 20.377 8.583 1.00 2.55 O ATOM 1622 CB ARG B 13 129.073 22.001 11.130 1.00 2.51 C ATOM 1623 CG ARG B 13 130.374 21.386 10.612 1.00 2.71 C ATOM 1624 CD ARG B 13 131.558 21.991 11.369 1.00 2.80 C ATOM 1625 NE ARG B 13 132.718 21.123 11.028 1.00 3.13 N ATOM 1626 CZ ARG B 13 133.769 21.108 11.801 1.00 3.55 C ATOM 1627 NH1 ARG B 13 134.074 22.161 12.508 1.00 3.87 N ATOM 1628 NH2 ARG B 13 134.515 20.039 11.867 1.00 4.15 N ATOM 0 H ARG B 13 127.387 23.710 11.250 1.00 2.12 H new ATOM 0 HA ARG B 13 128.568 22.425 9.048 1.00 2.32 H new ATOM 0 HB2 ARG B 13 129.271 22.978 11.572 1.00 2.51 H new ATOM 0 HB3 ARG B 13 128.651 21.375 11.916 1.00 2.51 H new ATOM 0 HG2 ARG B 13 130.357 20.304 10.746 1.00 2.71 H new ATOM 0 HG3 ARG B 13 130.477 21.573 9.543 1.00 2.71 H new ATOM 0 HD2 ARG B 13 131.735 23.023 11.066 1.00 2.80 H new ATOM 0 HD3 ARG B 13 131.375 22.002 12.444 1.00 2.80 H new ATOM 0 HE ARG B 13 132.691 20.541 10.191 1.00 3.13 H new ATOM 0 HH11 ARG B 13 133.491 22.996 12.457 1.00 3.87 H new ATOM 0 HH12 ARG B 13 134.896 22.149 13.112 1.00 3.87 H new ATOM 0 HH21 ARG B 13 134.276 19.216 11.314 1.00 4.15 H new ATOM 0 HH22 ARG B 13 135.337 20.027 12.471 1.00 4.15 H new ATOM 1642 N LYS B 14 126.903 20.154 10.742 1.00 2.31 N ATOM 1643 CA LYS B 14 126.198 18.853 10.547 1.00 2.44 C ATOM 1644 C LYS B 14 127.159 17.800 9.985 1.00 2.47 C ATOM 1645 O LYS B 14 128.349 17.840 10.224 1.00 2.70 O ATOM 1646 CB LYS B 14 125.084 19.156 9.544 1.00 2.89 C ATOM 1647 CG LYS B 14 123.917 18.193 9.773 1.00 3.00 C ATOM 1648 CD LYS B 14 122.686 18.981 10.224 1.00 3.49 C ATOM 1649 CE LYS B 14 121.732 19.158 9.041 1.00 3.86 C ATOM 1650 NZ LYS B 14 121.150 17.807 8.813 1.00 4.63 N ATOM 0 H LYS B 14 126.980 20.464 11.711 1.00 2.31 H new ATOM 0 HA LYS B 14 125.809 18.452 11.483 1.00 2.44 H new ATOM 0 HB2 LYS B 14 124.747 20.186 9.658 1.00 2.89 H new ATOM 0 HB3 LYS B 14 125.459 19.054 8.526 1.00 2.89 H new ATOM 0 HG2 LYS B 14 123.697 17.647 8.856 1.00 3.00 H new ATOM 0 HG3 LYS B 14 124.185 17.453 10.527 1.00 3.00 H new ATOM 0 HD2 LYS B 14 122.182 18.456 11.036 1.00 3.49 H new ATOM 0 HD3 LYS B 14 122.986 19.954 10.612 1.00 3.49 H new ATOM 0 HE2 LYS B 14 120.956 19.890 9.265 1.00 3.86 H new ATOM 0 HE3 LYS B 14 122.261 19.515 8.157 1.00 3.86 H new ATOM 0 HZ1 LYS B 14 120.166 17.903 8.489 1.00 4.63 H new ATOM 0 HZ2 LYS B 14 121.705 17.307 8.089 1.00 4.63 H new ATOM 0 HZ3 LYS B 14 121.171 17.266 9.701 1.00 4.63 H new ATOM 1664 N ARG B 15 126.648 16.855 9.242 1.00 2.82 N ATOM 1665 CA ARG B 15 127.528 15.793 8.667 1.00 3.02 C ATOM 1666 C ARG B 15 127.387 15.769 7.141 1.00 2.87 C ATOM 1667 O ARG B 15 128.103 15.072 6.450 1.00 3.17 O ATOM 1668 CB ARG B 15 127.033 14.461 9.260 1.00 3.56 C ATOM 1669 CG ARG B 15 126.374 14.679 10.630 1.00 3.80 C ATOM 1670 CD ARG B 15 127.428 15.118 11.649 1.00 3.90 C ATOM 1671 NE ARG B 15 126.680 15.941 12.640 1.00 4.16 N ATOM 1672 CZ ARG B 15 126.330 15.425 13.788 1.00 4.40 C ATOM 1673 NH1 ARG B 15 125.737 14.263 13.828 1.00 4.92 N ATOM 1674 NH2 ARG B 15 126.572 16.073 14.895 1.00 4.50 N ATOM 0 H ARG B 15 125.659 16.771 9.008 1.00 2.82 H new ATOM 0 HA ARG B 15 128.577 15.971 8.903 1.00 3.02 H new ATOM 0 HB2 ARG B 15 126.319 13.999 8.579 1.00 3.56 H new ATOM 0 HB3 ARG B 15 127.870 13.770 9.361 1.00 3.56 H new ATOM 0 HG2 ARG B 15 125.593 15.436 10.552 1.00 3.80 H new ATOM 0 HG3 ARG B 15 125.894 13.759 10.963 1.00 3.80 H new ATOM 0 HD2 ARG B 15 127.900 14.259 12.125 1.00 3.90 H new ATOM 0 HD3 ARG B 15 128.221 15.695 11.174 1.00 3.90 H new ATOM 0 HE ARG B 15 126.441 16.908 12.422 1.00 4.16 H new ATOM 0 HH11 ARG B 15 125.547 13.757 12.963 1.00 4.92 H new ATOM 0 HH12 ARG B 15 125.464 13.860 14.725 1.00 4.92 H new ATOM 0 HH21 ARG B 15 127.034 16.982 14.863 1.00 4.50 H new ATOM 0 HH22 ARG B 15 126.299 15.671 15.792 1.00 4.50 H new ATOM 1688 N ARG B 16 126.459 16.520 6.615 1.00 2.73 N ATOM 1689 CA ARG B 16 126.252 16.541 5.138 1.00 2.75 C ATOM 1690 C ARG B 16 127.577 16.753 4.400 1.00 2.72 C ATOM 1691 O ARG B 16 127.785 16.231 3.323 1.00 2.68 O ATOM 1692 CB ARG B 16 125.312 17.722 4.895 1.00 2.58 C ATOM 1693 CG ARG B 16 124.825 17.702 3.444 1.00 2.93 C ATOM 1694 CD ARG B 16 123.305 17.878 3.415 1.00 3.11 C ATOM 1695 NE ARG B 16 123.078 19.130 2.640 1.00 3.15 N ATOM 1696 CZ ARG B 16 122.579 20.181 3.230 1.00 3.32 C ATOM 1697 NH1 ARG B 16 121.375 20.139 3.730 1.00 3.85 N ATOM 1698 NH2 ARG B 16 123.285 21.276 3.320 1.00 3.40 N ATOM 0 H ARG B 16 125.832 17.123 7.147 1.00 2.73 H new ATOM 0 HA ARG B 16 125.843 15.599 4.771 1.00 2.75 H new ATOM 0 HB2 ARG B 16 124.462 17.669 5.575 1.00 2.58 H new ATOM 0 HB3 ARG B 16 125.828 18.659 5.103 1.00 2.58 H new ATOM 0 HG2 ARG B 16 125.305 18.499 2.877 1.00 2.93 H new ATOM 0 HG3 ARG B 16 125.102 16.761 2.969 1.00 2.93 H new ATOM 0 HD2 ARG B 16 122.818 17.026 2.941 1.00 3.11 H new ATOM 0 HD3 ARG B 16 122.897 17.958 4.423 1.00 3.11 H new ATOM 0 HE ARG B 16 123.313 19.165 1.648 1.00 3.15 H new ATOM 0 HH11 ARG B 16 120.823 19.284 3.660 1.00 3.85 H new ATOM 0 HH12 ARG B 16 120.985 20.961 4.191 1.00 3.85 H new ATOM 0 HH21 ARG B 16 124.226 21.309 2.929 1.00 3.40 H new ATOM 0 HH22 ARG B 16 122.895 22.098 3.781 1.00 3.40 H new ATOM 1712 N ASP B 17 128.470 17.521 4.958 1.00 3.23 N ATOM 1713 CA ASP B 17 129.770 17.768 4.268 1.00 3.39 C ATOM 1714 C ASP B 17 130.856 16.826 4.797 1.00 2.78 C ATOM 1715 O ASP B 17 131.961 16.800 4.293 1.00 3.13 O ATOM 1716 CB ASP B 17 130.116 19.221 4.596 1.00 3.99 C ATOM 1717 CG ASP B 17 131.300 19.673 3.739 1.00 4.92 C ATOM 1718 OD1 ASP B 17 132.381 19.140 3.928 1.00 5.59 O ATOM 1719 OD2 ASP B 17 131.106 20.545 2.909 1.00 5.23 O ATOM 0 H ASP B 17 128.359 17.987 5.858 1.00 3.23 H new ATOM 0 HA ASP B 17 129.703 17.590 3.195 1.00 3.39 H new ATOM 0 HB2 ASP B 17 129.254 19.862 4.410 1.00 3.99 H new ATOM 0 HB3 ASP B 17 130.362 19.317 5.654 1.00 3.99 H new ATOM 1724 N HIS B 18 130.563 16.062 5.814 1.00 2.41 N ATOM 1725 CA HIS B 18 131.599 15.144 6.371 1.00 2.11 C ATOM 1726 C HIS B 18 132.024 14.087 5.339 1.00 1.64 C ATOM 1727 O HIS B 18 133.033 14.240 4.675 1.00 1.93 O ATOM 1728 CB HIS B 18 130.952 14.494 7.596 1.00 2.43 C ATOM 1729 CG HIS B 18 131.884 14.618 8.769 1.00 2.97 C ATOM 1730 ND1 HIS B 18 132.879 13.797 9.239 1.00 3.47 N flip ATOM 1731 CD2 HIS B 18 131.859 15.709 9.623 1.00 3.61 C flip ATOM 1732 CE1 HIS B 18 133.464 14.367 10.366 1.00 4.12 C flip ATOM 1733 NE2 HIS B 18 132.812 15.517 10.554 1.00 4.22 N flip ATOM 0 H HIS B 18 129.657 16.033 6.281 1.00 2.41 H new ATOM 0 HA HIS B 18 132.509 15.682 6.635 1.00 2.11 H new ATOM 0 HB2 HIS B 18 130.001 14.977 7.819 1.00 2.43 H new ATOM 0 HB3 HIS B 18 130.738 13.444 7.395 1.00 2.43 H new ATOM 0 HD2 HIS B 18 131.196 16.559 9.554 1.00 3.61 H new ATOM 0 HE1 HIS B 18 134.271 13.966 10.960 1.00 4.12 H new ATOM 0 HE2 HIS B 18 133.012 16.171 11.311 1.00 4.22 H new ATOM 1741 N ILE B 19 131.291 13.009 5.199 1.00 1.19 N ATOM 1742 CA ILE B 19 131.717 11.971 4.214 1.00 1.05 C ATOM 1743 C ILE B 19 131.759 12.550 2.803 1.00 0.94 C ATOM 1744 O ILE B 19 132.745 12.406 2.120 1.00 0.95 O ATOM 1745 CB ILE B 19 130.723 10.808 4.307 1.00 1.28 C ATOM 1746 CG1 ILE B 19 129.273 11.287 4.255 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.949 10.056 5.616 1.00 1.51 C ATOM 1748 CD1 ILE B 19 128.368 10.093 4.570 1.00 1.99 C ATOM 0 H ILE B 19 130.434 12.807 5.713 1.00 1.19 H new ATOM 0 HA ILE B 19 132.724 11.620 4.441 1.00 1.05 H new ATOM 0 HB ILE B 19 130.894 10.157 3.450 1.00 1.28 H new ATOM 0 HG12 ILE B 19 129.111 12.089 4.975 1.00 1.91 H new ATOM 0 HG13 ILE B 19 129.041 11.692 3.270 1.00 1.91 H new ATOM 0 HG21 ILE B 19 130.244 9.228 5.686 1.00 1.51 H new ATOM 0 HG22 ILE B 19 131.968 9.669 5.642 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.797 10.734 6.456 1.00 1.51 H new ATOM 0 HD11 ILE B 19 127.325 10.409 4.539 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.531 9.308 3.832 1.00 1.99 H new ATOM 0 HD13 ILE B 19 128.602 9.711 5.564 1.00 1.99 H new ATOM 1760 N LYS B 20 130.710 13.198 2.360 1.00 0.98 N ATOM 1761 CA LYS B 20 130.724 13.785 0.980 1.00 1.01 C ATOM 1762 C LYS B 20 132.121 14.308 0.648 1.00 0.95 C ATOM 1763 O LYS B 20 132.788 13.793 -0.226 1.00 0.98 O ATOM 1764 CB LYS B 20 129.733 14.941 1.011 1.00 1.24 C ATOM 1765 CG LYS B 20 128.306 14.395 1.063 1.00 1.39 C ATOM 1766 CD LYS B 20 127.460 15.084 -0.008 1.00 1.83 C ATOM 1767 CE LYS B 20 126.269 15.785 0.649 1.00 2.31 C ATOM 1768 NZ LYS B 20 125.257 14.712 0.853 1.00 2.83 N ATOM 0 H LYS B 20 129.850 13.346 2.888 1.00 0.98 H new ATOM 0 HA LYS B 20 130.459 13.044 0.225 1.00 1.01 H new ATOM 0 HB2 LYS B 20 129.923 15.572 1.879 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.861 15.567 0.128 1.00 1.24 H new ATOM 0 HG2 LYS B 20 128.311 13.317 0.901 1.00 1.39 H new ATOM 0 HG3 LYS B 20 127.875 14.567 2.049 1.00 1.39 H new ATOM 0 HD2 LYS B 20 128.065 15.808 -0.553 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.108 14.351 -0.734 1.00 1.83 H new ATOM 0 HE2 LYS B 20 126.554 16.244 1.596 1.00 2.31 H new ATOM 0 HE3 LYS B 20 125.879 16.580 0.014 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 124.409 15.115 1.300 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.000 14.298 -0.066 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 125.654 13.973 1.467 1.00 2.83 H new ATOM 1782 N ASP B 21 132.586 15.310 1.354 1.00 0.95 N ATOM 1783 CA ASP B 21 133.958 15.818 1.074 1.00 1.01 C ATOM 1784 C ASP B 21 134.891 14.616 0.965 1.00 0.99 C ATOM 1785 O ASP B 21 135.684 14.506 0.050 1.00 1.03 O ATOM 1786 CB ASP B 21 134.331 16.687 2.276 1.00 1.16 C ATOM 1787 CG ASP B 21 134.967 17.989 1.786 1.00 2.09 C ATOM 1788 OD1 ASP B 21 135.628 17.954 0.761 1.00 2.72 O ATOM 1789 OD2 ASP B 21 134.783 18.999 2.445 1.00 2.71 O ATOM 0 H ASP B 21 132.082 15.789 2.100 1.00 0.95 H new ATOM 0 HA ASP B 21 134.025 16.392 0.150 1.00 1.01 H new ATOM 0 HB2 ASP B 21 133.444 16.904 2.870 1.00 1.16 H new ATOM 0 HB3 ASP B 21 135.025 16.152 2.924 1.00 1.16 H new ATOM 1794 N SER B 22 134.768 13.692 1.880 1.00 1.00 N ATOM 1795 CA SER B 22 135.610 12.469 1.821 1.00 1.09 C ATOM 1796 C SER B 22 135.271 11.700 0.543 1.00 1.00 C ATOM 1797 O SER B 22 136.141 11.329 -0.215 1.00 1.03 O ATOM 1798 CB SER B 22 135.229 11.658 3.059 1.00 1.27 C ATOM 1799 OG SER B 22 136.268 11.760 4.024 1.00 1.82 O ATOM 0 H SER B 22 134.119 13.734 2.666 1.00 1.00 H new ATOM 0 HA SER B 22 136.678 12.686 1.806 1.00 1.09 H new ATOM 0 HB2 SER B 22 134.292 12.027 3.476 1.00 1.27 H new ATOM 0 HB3 SER B 22 135.068 10.614 2.789 1.00 1.27 H new ATOM 0 HG SER B 22 135.963 11.380 4.874 1.00 1.82 H new ATOM 1805 N PHE B 23 134.007 11.475 0.289 1.00 0.95 N ATOM 1806 CA PHE B 23 133.614 10.752 -0.949 1.00 0.96 C ATOM 1807 C PHE B 23 134.339 11.374 -2.141 1.00 0.86 C ATOM 1808 O PHE B 23 135.138 10.739 -2.797 1.00 0.89 O ATOM 1809 CB PHE B 23 132.110 10.977 -1.097 1.00 1.07 C ATOM 1810 CG PHE B 23 131.325 10.063 -0.183 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.971 9.164 0.680 1.00 1.52 C ATOM 1812 CD2 PHE B 23 129.928 10.125 -0.199 1.00 1.34 C ATOM 1813 CE1 PHE B 23 131.210 8.342 1.514 1.00 1.62 C ATOM 1814 CE2 PHE B 23 129.177 9.305 0.639 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.816 8.415 1.497 1.00 1.03 C ATOM 0 H PHE B 23 133.233 11.762 0.888 1.00 0.95 H new ATOM 0 HA PHE B 23 133.864 9.692 -0.904 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.871 12.016 -0.868 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.814 10.802 -2.131 1.00 1.07 H new ATOM 0 HD1 PHE B 23 133.049 9.108 0.699 1.00 1.52 H new ATOM 0 HD2 PHE B 23 129.429 10.813 -0.865 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.703 7.646 2.176 1.00 1.62 H new ATOM 0 HE2 PHE B 23 128.099 9.360 0.623 1.00 1.35 H new ATOM 0 HZ PHE B 23 129.234 7.781 2.149 1.00 1.03 H new ATOM 1825 N HIS B 24 134.064 12.625 -2.420 1.00 0.84 N ATOM 1826 CA HIS B 24 134.743 13.295 -3.568 1.00 0.88 C ATOM 1827 C HIS B 24 136.226 12.923 -3.576 1.00 0.86 C ATOM 1828 O HIS B 24 136.757 12.463 -4.567 1.00 0.87 O ATOM 1829 CB HIS B 24 134.563 14.793 -3.323 1.00 0.97 C ATOM 1830 CG HIS B 24 134.083 15.454 -4.587 1.00 1.36 C ATOM 1831 ND1 HIS B 24 134.957 15.987 -5.520 1.00 2.01 N ATOM 1832 CD2 HIS B 24 132.822 15.672 -5.086 1.00 1.95 C ATOM 1833 CE1 HIS B 24 134.218 16.496 -6.524 1.00 2.41 C ATOM 1834 NE2 HIS B 24 132.910 16.331 -6.309 1.00 2.34 N ATOM 0 H HIS B 24 133.403 13.206 -1.905 1.00 0.84 H new ATOM 0 HA HIS B 24 134.329 12.995 -4.531 1.00 0.88 H new ATOM 0 HB2 HIS B 24 133.846 14.957 -2.519 1.00 0.97 H new ATOM 0 HB3 HIS B 24 135.506 15.236 -3.004 1.00 0.97 H new ATOM 0 HD2 HIS B 24 131.902 15.377 -4.603 1.00 1.95 H new ATOM 0 HE1 HIS B 24 134.632 16.979 -7.397 1.00 2.41 H new ATOM 0 HE2 HIS B 24 132.141 16.625 -6.911 1.00 2.34 H new ATOM 1842 N SER B 25 136.896 13.103 -2.470 1.00 0.95 N ATOM 1843 CA SER B 25 138.340 12.741 -2.408 1.00 1.05 C ATOM 1844 C SER B 25 138.480 11.221 -2.496 1.00 0.93 C ATOM 1845 O SER B 25 139.462 10.697 -2.989 1.00 0.96 O ATOM 1846 CB SER B 25 138.817 13.244 -1.046 1.00 1.27 C ATOM 1847 OG SER B 25 139.418 14.523 -1.201 1.00 1.36 O ATOM 0 H SER B 25 136.506 13.485 -1.608 1.00 0.95 H new ATOM 0 HA SER B 25 138.921 13.175 -3.222 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.977 13.306 -0.354 1.00 1.27 H new ATOM 0 HB3 SER B 25 139.533 12.543 -0.617 1.00 1.27 H new ATOM 0 HG SER B 25 139.723 14.849 -0.329 1.00 1.36 H new ATOM 1853 N LEU B 26 137.493 10.514 -2.021 1.00 0.92 N ATOM 1854 CA LEU B 26 137.542 9.029 -2.066 1.00 0.96 C ATOM 1855 C LEU B 26 137.367 8.552 -3.509 1.00 0.85 C ATOM 1856 O LEU B 26 138.103 7.708 -3.989 1.00 0.86 O ATOM 1857 CB LEU B 26 136.382 8.572 -1.178 1.00 1.12 C ATOM 1858 CG LEU B 26 136.937 8.022 0.140 1.00 1.31 C ATOM 1859 CD1 LEU B 26 136.157 8.611 1.315 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.803 6.498 0.159 1.00 1.63 C ATOM 0 H LEU B 26 136.650 10.905 -1.601 1.00 0.92 H new ATOM 0 HA LEU B 26 138.491 8.622 -1.717 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.709 9.407 -0.982 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.799 7.805 -1.688 1.00 1.12 H new ATOM 0 HG LEU B 26 137.988 8.298 0.226 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.555 8.217 2.250 1.00 1.52 H new ATOM 0 HD12 LEU B 26 136.254 9.697 1.308 1.00 1.52 H new ATOM 0 HD13 LEU B 26 135.105 8.340 1.226 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.199 6.110 1.098 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.752 6.224 0.067 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.363 6.073 -0.674 1.00 1.63 H new ATOM 1872 N ARG B 27 136.417 9.098 -4.216 1.00 0.86 N ATOM 1873 CA ARG B 27 136.230 8.683 -5.631 1.00 0.93 C ATOM 1874 C ARG B 27 137.540 8.943 -6.381 1.00 0.86 C ATOM 1875 O ARG B 27 137.858 8.292 -7.357 1.00 0.96 O ATOM 1876 CB ARG B 27 135.068 9.553 -6.156 1.00 1.07 C ATOM 1877 CG ARG B 27 135.575 10.613 -7.145 1.00 1.09 C ATOM 1878 CD ARG B 27 134.531 11.722 -7.293 1.00 1.11 C ATOM 1879 NE ARG B 27 134.244 11.784 -8.753 1.00 1.55 N ATOM 1880 CZ ARG B 27 134.151 12.939 -9.353 1.00 1.93 C ATOM 1881 NH1 ARG B 27 133.462 13.904 -8.807 1.00 2.45 N ATOM 1882 NH2 ARG B 27 134.746 13.130 -10.498 1.00 2.34 N ATOM 0 H ARG B 27 135.768 9.808 -3.877 1.00 0.86 H new ATOM 0 HA ARG B 27 135.992 7.627 -5.758 1.00 0.93 H new ATOM 0 HB2 ARG B 27 134.327 8.920 -6.645 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.568 10.041 -5.319 1.00 1.07 H new ATOM 0 HG2 ARG B 27 136.517 11.032 -6.792 1.00 1.09 H new ATOM 0 HG3 ARG B 27 135.773 10.155 -8.114 1.00 1.09 H new ATOM 0 HD2 ARG B 27 133.630 11.496 -6.722 1.00 1.11 H new ATOM 0 HD3 ARG B 27 134.911 12.675 -6.924 1.00 1.11 H new ATOM 0 HE ARG B 27 134.120 10.922 -9.285 1.00 1.55 H new ATOM 0 HH11 ARG B 27 132.997 13.755 -7.912 1.00 2.45 H new ATOM 0 HH12 ARG B 27 133.389 14.807 -9.276 1.00 2.45 H new ATOM 0 HH21 ARG B 27 135.284 12.376 -10.925 1.00 2.34 H new ATOM 0 HH22 ARG B 27 134.673 14.033 -10.966 1.00 2.34 H new ATOM 1896 N ASP B 28 138.302 9.894 -5.910 1.00 0.86 N ATOM 1897 CA ASP B 28 139.599 10.214 -6.563 1.00 0.89 C ATOM 1898 C ASP B 28 140.608 9.100 -6.283 1.00 0.82 C ATOM 1899 O ASP B 28 141.519 8.871 -7.052 1.00 0.86 O ATOM 1900 CB ASP B 28 140.052 11.525 -5.919 1.00 1.04 C ATOM 1901 CG ASP B 28 141.131 12.176 -6.785 1.00 1.25 C ATOM 1902 OD1 ASP B 28 141.533 11.560 -7.759 1.00 1.66 O ATOM 1903 OD2 ASP B 28 141.538 13.279 -6.460 1.00 1.76 O ATOM 0 H ASP B 28 138.078 10.465 -5.095 1.00 0.86 H new ATOM 0 HA ASP B 28 139.512 10.304 -7.646 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.203 12.200 -5.809 1.00 1.04 H new ATOM 0 HB3 ASP B 28 140.440 11.335 -4.918 1.00 1.04 H new ATOM 1908 N SER B 29 140.446 8.391 -5.196 1.00 0.76 N ATOM 1909 CA SER B 29 141.393 7.284 -4.895 1.00 0.76 C ATOM 1910 C SER B 29 141.142 6.151 -5.882 1.00 0.71 C ATOM 1911 O SER B 29 142.046 5.466 -6.315 1.00 0.76 O ATOM 1912 CB SER B 29 141.056 6.844 -3.471 1.00 0.83 C ATOM 1913 OG SER B 29 140.700 7.984 -2.701 1.00 1.24 O ATOM 0 H SER B 29 139.704 8.531 -4.510 1.00 0.76 H new ATOM 0 HA SER B 29 142.439 7.578 -4.979 1.00 0.76 H new ATOM 0 HB2 SER B 29 140.234 6.128 -3.484 1.00 0.83 H new ATOM 0 HB3 SER B 29 141.911 6.339 -3.022 1.00 0.83 H new ATOM 0 HG SER B 29 140.363 7.696 -1.827 1.00 1.24 H new ATOM 1919 N VAL B 30 139.909 5.967 -6.246 1.00 0.70 N ATOM 1920 CA VAL B 30 139.560 4.900 -7.213 1.00 0.72 C ATOM 1921 C VAL B 30 139.157 5.542 -8.542 1.00 0.75 C ATOM 1922 O VAL B 30 138.002 5.845 -8.759 1.00 0.79 O ATOM 1923 CB VAL B 30 138.378 4.196 -6.561 1.00 0.76 C ATOM 1924 CG1 VAL B 30 137.615 3.399 -7.611 1.00 0.85 C ATOM 1925 CG2 VAL B 30 138.892 3.263 -5.465 1.00 0.83 C ATOM 0 H VAL B 30 139.119 6.518 -5.910 1.00 0.70 H new ATOM 0 HA VAL B 30 140.377 4.212 -7.429 1.00 0.72 H new ATOM 0 HB VAL B 30 137.706 4.933 -6.121 1.00 0.76 H new ATOM 0 HG11 VAL B 30 136.769 2.896 -7.142 1.00 0.85 H new ATOM 0 HG12 VAL B 30 137.252 4.073 -8.387 1.00 0.85 H new ATOM 0 HG13 VAL B 30 138.277 2.657 -8.057 1.00 0.85 H new ATOM 0 HG21 VAL B 30 138.050 2.756 -4.994 1.00 0.83 H new ATOM 0 HG22 VAL B 30 139.563 2.523 -5.902 1.00 0.83 H new ATOM 0 HG23 VAL B 30 139.431 3.844 -4.716 1.00 0.83 H new ATOM 1935 N PRO B 31 140.134 5.751 -9.379 1.00 0.81 N ATOM 1936 CA PRO B 31 139.885 6.394 -10.692 1.00 0.93 C ATOM 1937 C PRO B 31 139.098 5.464 -11.616 1.00 0.98 C ATOM 1938 O PRO B 31 138.910 4.298 -11.332 1.00 1.77 O ATOM 1939 CB PRO B 31 141.288 6.656 -11.233 1.00 1.07 C ATOM 1940 CG PRO B 31 142.158 5.653 -10.546 1.00 1.04 C ATOM 1941 CD PRO B 31 141.548 5.407 -9.191 1.00 0.84 C ATOM 0 HA PRO B 31 139.287 7.302 -10.615 1.00 0.93 H new ATOM 0 HB2 PRO B 31 141.323 6.534 -12.316 1.00 1.07 H new ATOM 0 HB3 PRO B 31 141.611 7.674 -11.016 1.00 1.07 H new ATOM 0 HG2 PRO B 31 142.210 4.728 -11.120 1.00 1.04 H new ATOM 0 HG3 PRO B 31 143.177 6.027 -10.449 1.00 1.04 H new ATOM 0 HD2 PRO B 31 141.670 4.370 -8.879 1.00 0.84 H new ATOM 0 HD3 PRO B 31 142.012 6.027 -8.424 1.00 0.84 H new ATOM 1949 N SER B 32 138.629 5.983 -12.719 1.00 1.08 N ATOM 1950 CA SER B 32 137.843 5.149 -13.675 1.00 1.18 C ATOM 1951 C SER B 32 136.527 4.692 -13.035 1.00 1.03 C ATOM 1952 O SER B 32 135.795 3.912 -13.607 1.00 1.84 O ATOM 1953 CB SER B 32 138.735 3.949 -14.000 1.00 1.52 C ATOM 1954 OG SER B 32 137.953 2.762 -13.971 1.00 2.04 O ATOM 0 H SER B 32 138.757 6.955 -13.001 1.00 1.08 H new ATOM 0 HA SER B 32 137.576 5.705 -14.574 1.00 1.18 H new ATOM 0 HB2 SER B 32 139.190 4.075 -14.982 1.00 1.52 H new ATOM 0 HB3 SER B 32 139.549 3.880 -13.278 1.00 1.52 H new ATOM 0 HG SER B 32 137.078 2.937 -14.377 1.00 2.04 H new ATOM 1960 N LEU B 33 136.214 5.177 -11.861 1.00 0.96 N ATOM 1961 CA LEU B 33 134.937 4.769 -11.202 1.00 0.92 C ATOM 1962 C LEU B 33 133.806 5.693 -11.652 1.00 1.06 C ATOM 1963 O LEU B 33 132.961 5.319 -12.441 1.00 1.43 O ATOM 1964 CB LEU B 33 135.190 4.924 -9.699 1.00 0.78 C ATOM 1965 CG LEU B 33 134.596 3.726 -8.955 1.00 0.85 C ATOM 1966 CD1 LEU B 33 135.495 2.507 -9.157 1.00 1.16 C ATOM 1967 CD2 LEU B 33 134.497 4.045 -7.459 1.00 0.81 C ATOM 0 H LEU B 33 136.785 5.836 -11.332 1.00 0.96 H new ATOM 0 HA LEU B 33 134.646 3.750 -11.457 1.00 0.92 H new ATOM 0 HB2 LEU B 33 136.260 4.992 -9.505 1.00 0.78 H new ATOM 0 HB3 LEU B 33 134.741 5.849 -9.337 1.00 0.78 H new ATOM 0 HG LEU B 33 133.600 3.515 -9.345 1.00 0.85 H new ATOM 0 HD11 LEU B 33 135.074 1.652 -8.628 1.00 1.16 H new ATOM 0 HD12 LEU B 33 135.563 2.278 -10.220 1.00 1.16 H new ATOM 0 HD13 LEU B 33 136.490 2.720 -8.767 1.00 1.16 H new ATOM 0 HD21 LEU B 33 134.074 3.190 -6.932 1.00 0.81 H new ATOM 0 HD22 LEU B 33 135.491 4.258 -7.066 1.00 0.81 H new ATOM 0 HD23 LEU B 33 133.856 4.914 -7.314 1.00 0.81 H new ATOM 1979 N GLN B 34 133.792 6.900 -11.161 1.00 1.45 N ATOM 1980 CA GLN B 34 132.723 7.860 -11.560 1.00 1.71 C ATOM 1981 C GLN B 34 131.344 7.208 -11.433 1.00 1.66 C ATOM 1982 O GLN B 34 130.701 7.291 -10.406 1.00 2.34 O ATOM 1983 CB GLN B 34 133.025 8.200 -13.019 1.00 2.10 C ATOM 1984 CG GLN B 34 133.818 9.507 -13.084 1.00 2.55 C ATOM 1985 CD GLN B 34 132.952 10.599 -13.714 1.00 2.89 C ATOM 1986 OE1 GLN B 34 132.377 10.403 -14.766 1.00 3.23 O ATOM 1987 NE2 GLN B 34 132.834 11.750 -13.110 1.00 3.34 N ATOM 0 H GLN B 34 134.476 7.265 -10.499 1.00 1.45 H new ATOM 0 HA GLN B 34 132.709 8.747 -10.927 1.00 1.71 H new ATOM 0 HB2 GLN B 34 133.594 7.393 -13.481 1.00 2.10 H new ATOM 0 HB3 GLN B 34 132.096 8.297 -13.581 1.00 2.10 H new ATOM 0 HG2 GLN B 34 134.128 9.807 -12.083 1.00 2.55 H new ATOM 0 HG3 GLN B 34 134.726 9.365 -13.670 1.00 2.55 H new ATOM 0 HE21 GLN B 34 133.317 11.914 -12.227 1.00 3.34 H new ATOM 0 HE22 GLN B 34 132.259 12.485 -13.521 1.00 3.34 H new ATOM 1996 N GLY B 35 130.882 6.562 -12.469 1.00 1.48 N ATOM 1997 CA GLY B 35 129.543 5.913 -12.398 1.00 1.62 C ATOM 1998 C GLY B 35 129.670 4.421 -12.712 1.00 1.48 C ATOM 1999 O GLY B 35 128.890 3.867 -13.462 1.00 2.06 O ATOM 0 H GLY B 35 131.372 6.456 -13.357 1.00 1.48 H new ATOM 0 HA2 GLY B 35 129.115 6.049 -11.405 1.00 1.62 H new ATOM 0 HA3 GLY B 35 128.862 6.386 -13.106 1.00 1.62 H new ATOM 2003 N GLU B 36 130.642 3.763 -12.142 1.00 1.07 N ATOM 2004 CA GLU B 36 130.809 2.304 -12.407 1.00 1.15 C ATOM 2005 C GLU B 36 129.653 1.524 -11.778 1.00 1.39 C ATOM 2006 O GLU B 36 128.514 1.944 -11.821 1.00 1.91 O ATOM 2007 CB GLU B 36 132.133 1.930 -11.742 1.00 1.34 C ATOM 2008 CG GLU B 36 132.763 0.751 -12.487 1.00 1.81 C ATOM 2009 CD GLU B 36 134.276 0.948 -12.563 1.00 2.34 C ATOM 2010 OE1 GLU B 36 134.694 2.077 -12.746 1.00 2.74 O ATOM 2011 OE2 GLU B 36 134.991 -0.032 -12.435 1.00 2.87 O ATOM 0 H GLU B 36 131.327 4.171 -11.505 1.00 1.07 H new ATOM 0 HA GLU B 36 130.810 2.072 -13.472 1.00 1.15 H new ATOM 0 HB2 GLU B 36 132.811 2.784 -11.751 1.00 1.34 H new ATOM 0 HB3 GLU B 36 131.966 1.667 -10.698 1.00 1.34 H new ATOM 0 HG2 GLU B 36 132.532 -0.183 -11.974 1.00 1.81 H new ATOM 0 HG3 GLU B 36 132.344 0.675 -13.491 1.00 1.81 H new ATOM 2018 N LYS B 37 129.933 0.392 -11.190 1.00 1.38 N ATOM 2019 CA LYS B 37 128.844 -0.405 -10.558 1.00 1.58 C ATOM 2020 C LYS B 37 128.535 0.139 -9.160 1.00 1.32 C ATOM 2021 O LYS B 37 127.442 -0.017 -8.652 1.00 1.57 O ATOM 2022 CB LYS B 37 129.390 -1.831 -10.473 1.00 1.97 C ATOM 2023 CG LYS B 37 128.367 -2.728 -9.773 1.00 2.57 C ATOM 2024 CD LYS B 37 127.496 -3.428 -10.820 1.00 3.02 C ATOM 2025 CE LYS B 37 126.073 -2.869 -10.757 1.00 3.57 C ATOM 2026 NZ LYS B 37 125.195 -4.003 -11.159 1.00 3.77 N ATOM 0 H LYS B 37 130.866 -0.014 -11.120 1.00 1.38 H new ATOM 0 HA LYS B 37 127.916 -0.361 -11.128 1.00 1.58 H new ATOM 0 HB2 LYS B 37 129.600 -2.212 -11.473 1.00 1.97 H new ATOM 0 HB3 LYS B 37 130.332 -1.839 -9.925 1.00 1.97 H new ATOM 0 HG2 LYS B 37 128.878 -3.468 -9.157 1.00 2.57 H new ATOM 0 HG3 LYS B 37 127.744 -2.133 -9.105 1.00 2.57 H new ATOM 0 HD2 LYS B 37 127.914 -3.277 -11.815 1.00 3.02 H new ATOM 0 HD3 LYS B 37 127.484 -4.503 -10.639 1.00 3.02 H new ATOM 0 HE2 LYS B 37 125.831 -2.519 -9.754 1.00 3.57 H new ATOM 0 HE3 LYS B 37 125.953 -2.019 -11.429 1.00 3.57 H new ATOM 0 HZ1 LYS B 37 124.201 -3.696 -11.140 1.00 3.77 H new ATOM 0 HZ2 LYS B 37 125.444 -4.311 -12.121 1.00 3.77 H new ATOM 0 HZ3 LYS B 37 125.326 -4.795 -10.497 1.00 3.77 H new ATOM 2040 N ALA B 38 129.486 0.780 -8.532 1.00 1.23 N ATOM 2041 CA ALA B 38 129.235 1.332 -7.168 1.00 1.17 C ATOM 2042 C ALA B 38 128.187 2.448 -7.237 1.00 1.37 C ATOM 2043 O ALA B 38 127.949 3.022 -8.281 1.00 2.20 O ATOM 2044 CB ALA B 38 130.584 1.885 -6.711 1.00 1.02 C ATOM 0 H ALA B 38 130.422 0.945 -8.903 1.00 1.23 H new ATOM 0 HA ALA B 38 128.851 0.580 -6.479 1.00 1.17 H new ATOM 0 HB1 ALA B 38 130.483 2.310 -5.713 1.00 1.02 H new ATOM 0 HB2 ALA B 38 131.319 1.080 -6.690 1.00 1.02 H new ATOM 0 HB3 ALA B 38 130.913 2.659 -7.404 1.00 1.02 H new ATOM 2050 N SER B 39 127.557 2.760 -6.136 1.00 1.16 N ATOM 2051 CA SER B 39 126.523 3.837 -6.150 1.00 1.37 C ATOM 2052 C SER B 39 126.553 4.630 -4.842 1.00 1.04 C ATOM 2053 O SER B 39 127.296 4.320 -3.932 1.00 1.47 O ATOM 2054 CB SER B 39 125.191 3.106 -6.310 1.00 1.86 C ATOM 2055 OG SER B 39 124.716 3.282 -7.638 1.00 2.64 O ATOM 0 H SER B 39 127.712 2.318 -5.230 1.00 1.16 H new ATOM 0 HA SER B 39 126.692 4.556 -6.952 1.00 1.37 H new ATOM 0 HB2 SER B 39 125.317 2.045 -6.094 1.00 1.86 H new ATOM 0 HB3 SER B 39 124.463 3.492 -5.597 1.00 1.86 H new ATOM 0 HG SER B 39 123.862 2.813 -7.745 1.00 2.64 H new ATOM 2061 N ARG B 40 125.756 5.663 -4.747 1.00 1.10 N ATOM 2062 CA ARG B 40 125.748 6.486 -3.505 1.00 1.01 C ATOM 2063 C ARG B 40 127.164 7.030 -3.258 1.00 0.88 C ATOM 2064 O ARG B 40 127.645 7.850 -4.014 1.00 1.00 O ATOM 2065 CB ARG B 40 125.284 5.527 -2.405 1.00 1.31 C ATOM 2066 CG ARG B 40 124.646 6.328 -1.269 1.00 1.79 C ATOM 2067 CD ARG B 40 125.613 7.414 -0.795 1.00 2.21 C ATOM 2068 NE ARG B 40 124.873 8.141 0.274 1.00 2.81 N ATOM 2069 CZ ARG B 40 123.945 9.004 -0.043 1.00 3.53 C ATOM 2070 NH1 ARG B 40 123.568 9.136 -1.286 1.00 4.02 N ATOM 2071 NH2 ARG B 40 123.396 9.741 0.884 1.00 4.22 N ATOM 0 H ARG B 40 125.112 5.970 -5.476 1.00 1.10 H new ATOM 0 HA ARG B 40 125.091 7.355 -3.553 1.00 1.01 H new ATOM 0 HB2 ARG B 40 124.566 4.813 -2.809 1.00 1.31 H new ATOM 0 HB3 ARG B 40 126.130 4.951 -2.029 1.00 1.31 H new ATOM 0 HG2 ARG B 40 123.715 6.781 -1.609 1.00 1.79 H new ATOM 0 HG3 ARG B 40 124.395 5.665 -0.441 1.00 1.79 H new ATOM 0 HD2 ARG B 40 126.537 6.981 -0.412 1.00 2.21 H new ATOM 0 HD3 ARG B 40 125.888 8.083 -1.611 1.00 2.21 H new ATOM 0 HE ARG B 40 125.091 7.965 1.255 1.00 2.81 H new ATOM 0 HH11 ARG B 40 123.998 8.564 -2.013 1.00 4.02 H new ATOM 0 HH12 ARG B 40 122.843 9.811 -1.530 1.00 4.02 H new ATOM 0 HH21 ARG B 40 123.692 9.643 1.855 1.00 4.22 H new ATOM 0 HH22 ARG B 40 122.671 10.415 0.637 1.00 4.22 H new ATOM 2085 N ALA B 41 127.860 6.578 -2.246 1.00 0.90 N ATOM 2086 CA ALA B 41 129.235 7.076 -2.039 1.00 0.88 C ATOM 2087 C ALA B 41 130.119 6.415 -3.078 1.00 1.10 C ATOM 2088 O ALA B 41 131.130 6.948 -3.487 1.00 2.00 O ATOM 2089 CB ALA B 41 129.614 6.621 -0.637 1.00 1.04 C ATOM 0 H ALA B 41 127.532 5.893 -1.565 1.00 0.90 H new ATOM 0 HA ALA B 41 129.335 8.157 -2.135 1.00 0.88 H new ATOM 0 HB1 ALA B 41 130.626 6.954 -0.408 1.00 1.04 H new ATOM 0 HB2 ALA B 41 128.919 7.050 0.085 1.00 1.04 H new ATOM 0 HB3 ALA B 41 129.569 5.533 -0.583 1.00 1.04 H new ATOM 2095 N GLN B 42 129.721 5.250 -3.516 1.00 0.77 N ATOM 2096 CA GLN B 42 130.494 4.517 -4.554 1.00 0.96 C ATOM 2097 C GLN B 42 131.875 4.082 -4.043 1.00 0.95 C ATOM 2098 O GLN B 42 132.311 2.964 -4.285 1.00 1.18 O ATOM 2099 CB GLN B 42 130.630 5.510 -5.700 1.00 1.18 C ATOM 2100 CG GLN B 42 129.258 6.095 -6.036 1.00 1.42 C ATOM 2101 CD GLN B 42 129.406 7.121 -7.158 1.00 1.68 C ATOM 2102 OE1 GLN B 42 128.571 7.989 -7.321 1.00 2.48 O ATOM 2103 NE2 GLN B 42 130.444 7.060 -7.946 1.00 1.73 N ATOM 0 H GLN B 42 128.881 4.771 -3.192 1.00 0.77 H new ATOM 0 HA GLN B 42 129.993 3.596 -4.851 1.00 0.96 H new ATOM 0 HB2 GLN B 42 131.319 6.308 -5.423 1.00 1.18 H new ATOM 0 HB3 GLN B 42 131.050 5.015 -6.576 1.00 1.18 H new ATOM 0 HG2 GLN B 42 128.577 5.301 -6.342 1.00 1.42 H new ATOM 0 HG3 GLN B 42 128.824 6.565 -5.153 1.00 1.42 H new ATOM 0 HE21 GLN B 42 131.145 6.332 -7.810 1.00 1.73 H new ATOM 0 HE22 GLN B 42 130.554 7.740 -8.698 1.00 1.73 H new ATOM 2112 N ILE B 43 132.586 4.928 -3.347 1.00 0.85 N ATOM 2113 CA ILE B 43 133.922 4.495 -2.877 1.00 0.92 C ATOM 2114 C ILE B 43 133.769 3.489 -1.745 1.00 0.82 C ATOM 2115 O ILE B 43 134.360 2.444 -1.779 1.00 0.75 O ATOM 2116 CB ILE B 43 134.651 5.753 -2.409 1.00 1.18 C ATOM 2117 CG1 ILE B 43 134.338 6.919 -3.353 1.00 1.66 C ATOM 2118 CG2 ILE B 43 136.158 5.482 -2.436 1.00 1.84 C ATOM 2119 CD1 ILE B 43 133.596 8.016 -2.590 1.00 2.40 C ATOM 0 H ILE B 43 132.305 5.875 -3.091 1.00 0.85 H new ATOM 0 HA ILE B 43 134.489 4.004 -3.668 1.00 0.92 H new ATOM 0 HB ILE B 43 134.326 6.010 -1.401 1.00 1.18 H new ATOM 0 HG12 ILE B 43 135.262 7.317 -3.774 1.00 1.66 H new ATOM 0 HG13 ILE B 43 133.731 6.570 -4.189 1.00 1.66 H new ATOM 0 HG21 ILE B 43 136.694 6.371 -2.104 1.00 1.84 H new ATOM 0 HG22 ILE B 43 136.390 4.650 -1.771 1.00 1.84 H new ATOM 0 HG23 ILE B 43 136.465 5.232 -3.452 1.00 1.84 H new ATOM 0 HD11 ILE B 43 133.375 8.843 -3.265 1.00 2.40 H new ATOM 0 HD12 ILE B 43 132.664 7.615 -2.191 1.00 2.40 H new ATOM 0 HD13 ILE B 43 134.218 8.373 -1.770 1.00 2.40 H new ATOM 2131 N LEU B 44 132.970 3.781 -0.753 1.00 0.90 N ATOM 2132 CA LEU B 44 132.791 2.804 0.371 1.00 0.90 C ATOM 2133 C LEU B 44 132.837 1.379 -0.173 1.00 0.79 C ATOM 2134 O LEU B 44 133.494 0.511 0.371 1.00 0.73 O ATOM 2135 CB LEU B 44 131.420 3.110 0.962 1.00 0.99 C ATOM 2136 CG LEU B 44 131.569 4.198 2.019 1.00 0.91 C ATOM 2137 CD1 LEU B 44 132.243 5.415 1.399 1.00 0.84 C ATOM 2138 CD2 LEU B 44 130.196 4.598 2.535 1.00 1.55 C ATOM 0 H LEU B 44 132.436 4.646 -0.669 1.00 0.90 H new ATOM 0 HA LEU B 44 133.576 2.889 1.122 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.736 3.437 0.179 1.00 0.99 H new ATOM 0 HB3 LEU B 44 130.991 2.211 1.405 1.00 0.99 H new ATOM 0 HG LEU B 44 132.174 3.821 2.844 1.00 0.91 H new ATOM 0 HD11 LEU B 44 132.351 6.195 2.153 1.00 0.84 H new ATOM 0 HD12 LEU B 44 133.227 5.134 1.024 1.00 0.84 H new ATOM 0 HD13 LEU B 44 131.634 5.788 0.576 1.00 0.84 H new ATOM 0 HD21 LEU B 44 130.304 5.376 3.291 1.00 1.55 H new ATOM 0 HD22 LEU B 44 129.593 4.975 1.709 1.00 1.55 H new ATOM 0 HD23 LEU B 44 129.706 3.730 2.975 1.00 1.55 H new ATOM 2150 N ASP B 45 132.176 1.150 -1.273 1.00 0.91 N ATOM 2151 CA ASP B 45 132.209 -0.199 -1.888 1.00 0.87 C ATOM 2152 C ASP B 45 133.650 -0.523 -2.282 1.00 0.73 C ATOM 2153 O ASP B 45 134.185 -1.553 -1.926 1.00 0.66 O ATOM 2154 CB ASP B 45 131.317 -0.095 -3.126 1.00 1.04 C ATOM 2155 CG ASP B 45 130.425 -1.333 -3.219 1.00 1.80 C ATOM 2156 OD1 ASP B 45 130.849 -2.379 -2.754 1.00 2.49 O ATOM 2157 OD2 ASP B 45 129.334 -1.216 -3.752 1.00 2.42 O ATOM 0 H ASP B 45 131.615 1.841 -1.771 1.00 0.91 H new ATOM 0 HA ASP B 45 131.863 -0.986 -1.218 1.00 0.87 H new ATOM 0 HB2 ASP B 45 130.704 0.804 -3.071 1.00 1.04 H new ATOM 0 HB3 ASP B 45 131.930 -0.008 -4.023 1.00 1.04 H new ATOM 2162 N LYS B 46 134.291 0.363 -3.000 1.00 0.78 N ATOM 2163 CA LYS B 46 135.709 0.106 -3.399 1.00 0.75 C ATOM 2164 C LYS B 46 136.658 0.458 -2.242 1.00 0.65 C ATOM 2165 O LYS B 46 137.482 -0.340 -1.843 1.00 0.75 O ATOM 2166 CB LYS B 46 135.953 1.015 -4.604 1.00 0.90 C ATOM 2167 CG LYS B 46 134.892 0.739 -5.673 1.00 1.35 C ATOM 2168 CD LYS B 46 134.884 -0.754 -6.014 1.00 1.43 C ATOM 2169 CE LYS B 46 133.764 -1.045 -7.017 1.00 1.86 C ATOM 2170 NZ LYS B 46 133.285 -2.412 -6.672 1.00 2.14 N ATOM 0 H LYS B 46 133.899 1.247 -3.325 1.00 0.78 H new ATOM 0 HA LYS B 46 135.889 -0.941 -3.642 1.00 0.75 H new ATOM 0 HB2 LYS B 46 135.914 2.061 -4.298 1.00 0.90 H new ATOM 0 HB3 LYS B 46 136.949 0.839 -5.010 1.00 0.90 H new ATOM 0 HG2 LYS B 46 133.910 1.046 -5.313 1.00 1.35 H new ATOM 0 HG3 LYS B 46 135.101 1.326 -6.568 1.00 1.35 H new ATOM 0 HD2 LYS B 46 135.847 -1.047 -6.433 1.00 1.43 H new ATOM 0 HD3 LYS B 46 134.738 -1.343 -5.109 1.00 1.43 H new ATOM 0 HE2 LYS B 46 132.961 -0.313 -6.935 1.00 1.86 H new ATOM 0 HE3 LYS B 46 134.131 -1.002 -8.042 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 132.515 -2.683 -7.317 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 134.069 -3.089 -6.765 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 132.935 -2.420 -5.693 1.00 2.14 H new ATOM 2184 N ALA B 47 136.534 1.645 -1.709 1.00 0.57 N ATOM 2185 CA ALA B 47 137.399 2.087 -0.573 1.00 0.61 C ATOM 2186 C ALA B 47 137.785 0.909 0.325 1.00 0.68 C ATOM 2187 O ALA B 47 138.951 0.654 0.560 1.00 0.71 O ATOM 2188 CB ALA B 47 136.538 3.086 0.205 1.00 0.67 C ATOM 0 H ALA B 47 135.856 2.341 -2.019 1.00 0.57 H new ATOM 0 HA ALA B 47 138.335 2.522 -0.925 1.00 0.61 H new ATOM 0 HB1 ALA B 47 137.100 3.462 1.060 1.00 0.67 H new ATOM 0 HB2 ALA B 47 136.268 3.918 -0.446 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.632 2.591 0.555 1.00 0.67 H new ATOM 2194 N THR B 48 136.823 0.187 0.834 1.00 0.77 N ATOM 2195 CA THR B 48 137.164 -0.962 1.719 1.00 0.92 C ATOM 2196 C THR B 48 137.578 -2.181 0.882 1.00 0.85 C ATOM 2197 O THR B 48 138.630 -2.749 1.096 1.00 0.91 O ATOM 2198 CB THR B 48 135.896 -1.214 2.552 1.00 1.09 C ATOM 2199 OG1 THR B 48 136.179 -0.911 3.910 1.00 2.02 O ATOM 2200 CG2 THR B 48 135.438 -2.674 2.452 1.00 1.20 C ATOM 0 H THR B 48 135.827 0.341 0.677 1.00 0.77 H new ATOM 0 HA THR B 48 138.016 -0.759 2.368 1.00 0.92 H new ATOM 0 HB THR B 48 135.097 -0.581 2.167 1.00 1.09 H new ATOM 0 HG1 THR B 48 136.354 -1.741 4.401 1.00 2.02 H new ATOM 0 HG21 THR B 48 134.540 -2.816 3.053 1.00 1.20 H new ATOM 0 HG22 THR B 48 135.221 -2.917 1.412 1.00 1.20 H new ATOM 0 HG23 THR B 48 136.228 -3.329 2.820 1.00 1.20 H new ATOM 2208 N GLU B 49 136.773 -2.594 -0.066 1.00 0.78 N ATOM 2209 CA GLU B 49 137.168 -3.776 -0.886 1.00 0.81 C ATOM 2210 C GLU B 49 138.635 -3.624 -1.297 1.00 0.70 C ATOM 2211 O GLU B 49 139.354 -4.591 -1.456 1.00 0.72 O ATOM 2212 CB GLU B 49 136.225 -3.776 -2.101 1.00 0.83 C ATOM 2213 CG GLU B 49 136.855 -3.026 -3.281 1.00 1.22 C ATOM 2214 CD GLU B 49 137.848 -3.945 -3.996 1.00 1.67 C ATOM 2215 OE1 GLU B 49 138.099 -5.025 -3.485 1.00 2.27 O ATOM 2216 OE2 GLU B 49 138.340 -3.554 -5.042 1.00 2.27 O ATOM 0 H GLU B 49 135.876 -2.171 -0.303 1.00 0.78 H new ATOM 0 HA GLU B 49 137.083 -4.720 -0.347 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.002 -4.802 -2.394 1.00 0.83 H new ATOM 0 HB3 GLU B 49 135.278 -3.309 -1.832 1.00 0.83 H new ATOM 0 HG2 GLU B 49 136.080 -2.700 -3.975 1.00 1.22 H new ATOM 0 HG3 GLU B 49 137.363 -2.129 -2.927 1.00 1.22 H new ATOM 2223 N TYR B 50 139.085 -2.406 -1.440 1.00 0.70 N ATOM 2224 CA TYR B 50 140.506 -2.171 -1.807 1.00 0.67 C ATOM 2225 C TYR B 50 141.391 -2.482 -0.599 1.00 0.61 C ATOM 2226 O TYR B 50 142.375 -3.186 -0.700 1.00 0.58 O ATOM 2227 CB TYR B 50 140.584 -0.685 -2.159 1.00 0.88 C ATOM 2228 CG TYR B 50 140.505 -0.513 -3.656 1.00 0.71 C ATOM 2229 CD1 TYR B 50 139.270 -0.611 -4.308 1.00 1.56 C ATOM 2230 CD2 TYR B 50 141.667 -0.255 -4.393 1.00 1.38 C ATOM 2231 CE1 TYR B 50 139.197 -0.450 -5.696 1.00 1.86 C ATOM 2232 CE2 TYR B 50 141.594 -0.094 -5.781 1.00 1.82 C ATOM 2233 CZ TYR B 50 140.358 -0.192 -6.433 1.00 1.72 C ATOM 2234 OH TYR B 50 140.286 -0.033 -7.802 1.00 2.36 O ATOM 0 H TYR B 50 138.525 -1.562 -1.317 1.00 0.70 H new ATOM 0 HA TYR B 50 140.841 -2.797 -2.634 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.769 -0.144 -1.677 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.515 -0.261 -1.783 1.00 0.88 H new ATOM 0 HD1 TYR B 50 138.374 -0.811 -3.740 1.00 1.56 H new ATOM 0 HD2 TYR B 50 142.620 -0.180 -3.890 1.00 1.38 H new ATOM 0 HE1 TYR B 50 138.244 -0.525 -6.199 1.00 1.86 H new ATOM 0 HE2 TYR B 50 142.490 0.106 -6.350 1.00 1.82 H new ATOM 0 HH TYR B 50 141.182 0.141 -8.159 1.00 2.36 H new ATOM 2244 N ILE B 51 141.035 -1.968 0.549 1.00 0.70 N ATOM 2245 CA ILE B 51 141.843 -2.239 1.772 1.00 0.76 C ATOM 2246 C ILE B 51 141.964 -3.748 1.994 1.00 0.70 C ATOM 2247 O ILE B 51 143.027 -4.322 1.867 1.00 0.76 O ATOM 2248 CB ILE B 51 141.057 -1.599 2.917 1.00 0.98 C ATOM 2249 CG1 ILE B 51 141.069 -0.078 2.759 1.00 1.05 C ATOM 2250 CG2 ILE B 51 141.698 -1.975 4.254 1.00 1.33 C ATOM 2251 CD1 ILE B 51 140.242 0.555 3.879 1.00 0.74 C ATOM 0 H ILE B 51 140.219 -1.372 0.691 1.00 0.70 H new ATOM 0 HA ILE B 51 142.854 -1.840 1.696 1.00 0.76 H new ATOM 0 HB ILE B 51 140.029 -1.960 2.893 1.00 0.98 H new ATOM 0 HG12 ILE B 51 142.093 0.294 2.793 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.660 0.201 1.788 1.00 1.05 H new ATOM 0 HG21 ILE B 51 141.136 -1.518 5.068 1.00 1.33 H new ATOM 0 HG22 ILE B 51 141.688 -3.059 4.370 1.00 1.33 H new ATOM 0 HG23 ILE B 51 142.727 -1.617 4.278 1.00 1.33 H new ATOM 0 HD11 ILE B 51 140.249 1.639 3.768 1.00 0.74 H new ATOM 0 HD12 ILE B 51 139.216 0.191 3.824 1.00 0.74 H new ATOM 0 HD13 ILE B 51 140.671 0.286 4.844 1.00 0.74 H new ATOM 2263 N GLN B 52 140.877 -4.393 2.326 1.00 0.69 N ATOM 2264 CA GLN B 52 140.921 -5.866 2.557 1.00 0.73 C ATOM 2265 C GLN B 52 141.787 -6.540 1.490 1.00 0.67 C ATOM 2266 O GLN B 52 142.772 -7.183 1.792 1.00 0.74 O ATOM 2267 CB GLN B 52 139.468 -6.328 2.439 1.00 0.83 C ATOM 2268 CG GLN B 52 138.607 -5.583 3.461 1.00 1.34 C ATOM 2269 CD GLN B 52 137.272 -6.311 3.632 1.00 1.77 C ATOM 2270 OE1 GLN B 52 136.938 -7.181 2.853 1.00 2.49 O ATOM 2271 NE2 GLN B 52 136.490 -5.990 4.627 1.00 1.98 N ATOM 0 H GLN B 52 139.960 -3.963 2.447 1.00 0.69 H new ATOM 0 HA GLN B 52 141.352 -6.121 3.525 1.00 0.73 H new ATOM 0 HB2 GLN B 52 139.097 -6.141 1.431 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.403 -7.403 2.608 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.127 -5.526 4.417 1.00 1.34 H new ATOM 0 HG3 GLN B 52 138.435 -4.559 3.130 1.00 1.34 H new ATOM 0 HE21 GLN B 52 136.771 -5.259 5.281 1.00 1.98 H new ATOM 0 HE22 GLN B 52 135.598 -6.470 4.750 1.00 1.98 H new ATOM 2280 N TYR B 53 141.427 -6.395 0.245 1.00 0.62 N ATOM 2281 CA TYR B 53 142.230 -7.025 -0.842 1.00 0.65 C ATOM 2282 C TYR B 53 143.685 -6.550 -0.766 1.00 0.62 C ATOM 2283 O TYR B 53 144.575 -7.299 -0.412 1.00 0.75 O ATOM 2284 CB TYR B 53 141.572 -6.552 -2.141 1.00 0.69 C ATOM 2285 CG TYR B 53 142.524 -6.752 -3.297 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.672 -8.019 -3.873 1.00 1.43 C ATOM 2287 CD2 TYR B 53 143.257 -5.668 -3.793 1.00 1.42 C ATOM 2288 CE1 TYR B 53 143.555 -8.203 -4.943 1.00 1.48 C ATOM 2289 CE2 TYR B 53 144.141 -5.851 -4.864 1.00 1.48 C ATOM 2290 CZ TYR B 53 144.288 -7.118 -5.440 1.00 0.93 C ATOM 2291 OH TYR B 53 145.159 -7.299 -6.495 1.00 1.04 O ATOM 0 H TYR B 53 140.612 -5.868 -0.067 1.00 0.62 H new ATOM 0 HA TYR B 53 142.250 -8.112 -0.769 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.650 -7.107 -2.316 1.00 0.69 H new ATOM 0 HB3 TYR B 53 141.300 -5.500 -2.060 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.105 -8.855 -3.492 1.00 1.43 H new ATOM 0 HD2 TYR B 53 143.141 -4.690 -3.350 1.00 1.42 H new ATOM 0 HE1 TYR B 53 143.671 -9.181 -5.385 1.00 1.48 H new ATOM 0 HE2 TYR B 53 144.709 -5.015 -5.245 1.00 1.48 H new ATOM 0 HH TYR B 53 145.586 -6.445 -6.717 1.00 1.04 H new ATOM 2301 N MET B 54 143.935 -5.313 -1.099 1.00 0.54 N ATOM 2302 CA MET B 54 145.332 -4.794 -1.049 1.00 0.57 C ATOM 2303 C MET B 54 145.999 -5.188 0.272 1.00 0.52 C ATOM 2304 O MET B 54 147.028 -5.833 0.288 1.00 0.51 O ATOM 2305 CB MET B 54 145.197 -3.274 -1.149 1.00 0.70 C ATOM 2306 CG MET B 54 144.796 -2.891 -2.575 1.00 0.94 C ATOM 2307 SD MET B 54 145.663 -1.377 -3.058 1.00 0.96 S ATOM 2308 CE MET B 54 145.938 -1.816 -4.792 1.00 0.77 C ATOM 0 H MET B 54 143.232 -4.639 -1.404 1.00 0.54 H new ATOM 0 HA MET B 54 145.950 -5.201 -1.849 1.00 0.57 H new ATOM 0 HB2 MET B 54 144.449 -2.917 -0.441 1.00 0.70 H new ATOM 0 HB3 MET B 54 146.140 -2.796 -0.884 1.00 0.70 H new ATOM 0 HG2 MET B 54 145.042 -3.699 -3.263 1.00 0.94 H new ATOM 0 HG3 MET B 54 143.718 -2.740 -2.633 1.00 0.94 H new ATOM 0 HE1 MET B 54 146.470 -1.007 -5.292 1.00 0.77 H new ATOM 0 HE2 MET B 54 146.532 -2.728 -4.847 1.00 0.77 H new ATOM 0 HE3 MET B 54 144.978 -1.978 -5.283 1.00 0.77 H new ATOM 2318 N ARG B 55 145.423 -4.806 1.380 1.00 0.57 N ATOM 2319 CA ARG B 55 146.030 -5.162 2.695 1.00 0.58 C ATOM 2320 C ARG B 55 146.503 -6.617 2.678 1.00 0.56 C ATOM 2321 O ARG B 55 147.677 -6.900 2.811 1.00 0.58 O ATOM 2322 CB ARG B 55 144.910 -4.972 3.718 1.00 0.69 C ATOM 2323 CG ARG B 55 145.512 -4.875 5.122 1.00 0.77 C ATOM 2324 CD ARG B 55 145.783 -6.281 5.660 1.00 1.42 C ATOM 2325 NE ARG B 55 145.988 -6.100 7.124 1.00 1.43 N ATOM 2326 CZ ARG B 55 146.629 -7.006 7.810 1.00 1.84 C ATOM 2327 NH1 ARG B 55 146.393 -8.272 7.600 1.00 2.35 N ATOM 2328 NH2 ARG B 55 147.506 -6.646 8.707 1.00 2.53 N ATOM 0 H ARG B 55 144.560 -4.264 1.432 1.00 0.57 H new ATOM 0 HA ARG B 55 146.899 -4.547 2.929 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.344 -4.069 3.490 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.211 -5.807 3.667 1.00 0.69 H new ATOM 0 HG2 ARG B 55 146.438 -4.301 5.093 1.00 0.77 H new ATOM 0 HG3 ARG B 55 144.829 -4.345 5.786 1.00 0.77 H new ATOM 0 HD2 ARG B 55 144.946 -6.949 5.458 1.00 1.42 H new ATOM 0 HD3 ARG B 55 146.662 -6.721 5.190 1.00 1.42 H new ATOM 0 HE ARG B 55 145.627 -5.268 7.590 1.00 1.43 H new ATOM 0 HH11 ARG B 55 145.707 -8.554 6.899 1.00 2.35 H new ATOM 0 HH12 ARG B 55 146.894 -8.980 8.136 1.00 2.35 H new ATOM 0 HH21 ARG B 55 147.690 -5.656 8.872 1.00 2.53 H new ATOM 0 HH22 ARG B 55 148.007 -7.354 9.243 1.00 2.53 H new ATOM 2342 N ARG B 56 145.599 -7.543 2.508 1.00 0.57 N ATOM 2343 CA ARG B 56 146.004 -8.977 2.476 1.00 0.59 C ATOM 2344 C ARG B 56 147.136 -9.175 1.466 1.00 0.53 C ATOM 2345 O ARG B 56 148.000 -10.010 1.641 1.00 0.58 O ATOM 2346 CB ARG B 56 144.751 -9.735 2.035 1.00 0.67 C ATOM 2347 CG ARG B 56 144.108 -10.411 3.248 1.00 1.04 C ATOM 2348 CD ARG B 56 144.843 -11.718 3.554 1.00 1.63 C ATOM 2349 NE ARG B 56 144.319 -12.696 2.561 1.00 2.02 N ATOM 2350 CZ ARG B 56 143.113 -13.178 2.694 1.00 2.50 C ATOM 2351 NH1 ARG B 56 142.905 -14.213 3.461 1.00 3.10 N ATOM 2352 NH2 ARG B 56 142.116 -12.626 2.059 1.00 2.99 N ATOM 0 H ARG B 56 144.601 -7.369 2.390 1.00 0.57 H new ATOM 0 HA ARG B 56 146.370 -9.328 3.441 1.00 0.59 H new ATOM 0 HB2 ARG B 56 144.043 -9.049 1.570 1.00 0.67 H new ATOM 0 HB3 ARG B 56 145.010 -10.482 1.285 1.00 0.67 H new ATOM 0 HG2 ARG B 56 144.149 -9.747 4.112 1.00 1.04 H new ATOM 0 HG3 ARG B 56 143.055 -10.611 3.050 1.00 1.04 H new ATOM 0 HD2 ARG B 56 145.922 -11.596 3.457 1.00 1.63 H new ATOM 0 HD3 ARG B 56 144.650 -12.050 4.574 1.00 1.63 H new ATOM 0 HE ARG B 56 144.902 -12.989 1.777 1.00 2.02 H new ATOM 0 HH11 ARG B 56 143.685 -14.645 3.957 1.00 3.10 H new ATOM 0 HH12 ARG B 56 141.963 -14.590 3.565 1.00 3.10 H new ATOM 0 HH21 ARG B 56 142.279 -11.818 1.458 1.00 2.99 H new ATOM 0 HH22 ARG B 56 141.174 -13.003 2.163 1.00 2.99 H new ATOM 2366 N LYS B 57 147.139 -8.405 0.411 1.00 0.51 N ATOM 2367 CA LYS B 57 148.216 -8.541 -0.611 1.00 0.53 C ATOM 2368 C LYS B 57 149.513 -7.917 -0.091 1.00 0.50 C ATOM 2369 O LYS B 57 150.538 -8.564 -0.014 1.00 0.54 O ATOM 2370 CB LYS B 57 147.703 -7.775 -1.831 1.00 0.60 C ATOM 2371 CG LYS B 57 147.411 -8.757 -2.968 1.00 0.93 C ATOM 2372 CD LYS B 57 146.371 -9.780 -2.506 1.00 0.84 C ATOM 2373 CE LYS B 57 146.648 -11.128 -3.177 1.00 1.28 C ATOM 2374 NZ LYS B 57 145.973 -11.043 -4.502 1.00 1.52 N ATOM 0 H LYS B 57 146.442 -7.687 0.213 1.00 0.51 H new ATOM 0 HA LYS B 57 148.435 -9.582 -0.848 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.799 -7.223 -1.573 1.00 0.60 H new ATOM 0 HB3 LYS B 57 148.444 -7.042 -2.151 1.00 0.60 H new ATOM 0 HG2 LYS B 57 147.044 -8.219 -3.842 1.00 0.93 H new ATOM 0 HG3 LYS B 57 148.328 -9.265 -3.268 1.00 0.93 H new ATOM 0 HD2 LYS B 57 146.407 -9.887 -1.422 1.00 0.84 H new ATOM 0 HD3 LYS B 57 145.368 -9.435 -2.759 1.00 0.84 H new ATOM 0 HE2 LYS B 57 147.718 -11.301 -3.289 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.252 -11.953 -2.584 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 146.118 -11.931 -5.023 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 144.954 -10.885 -4.363 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 146.375 -10.253 -5.046 1.00 1.52 H new ATOM 2388 N VAL B 58 149.476 -6.663 0.270 1.00 0.52 N ATOM 2389 CA VAL B 58 150.707 -5.999 0.787 1.00 0.60 C ATOM 2390 C VAL B 58 151.416 -6.915 1.788 1.00 0.61 C ATOM 2391 O VAL B 58 152.615 -7.099 1.734 1.00 0.74 O ATOM 2392 CB VAL B 58 150.209 -4.729 1.478 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.399 -3.963 2.060 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.485 -3.847 0.459 1.00 0.76 C ATOM 0 H VAL B 58 148.647 -6.070 0.229 1.00 0.52 H new ATOM 0 HA VAL B 58 151.424 -5.777 -0.004 1.00 0.60 H new ATOM 0 HB VAL B 58 149.523 -4.998 2.281 1.00 0.71 H new ATOM 0 HG11 VAL B 58 151.043 -3.058 2.552 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.917 -4.591 2.785 1.00 0.86 H new ATOM 0 HG13 VAL B 58 152.086 -3.694 1.258 1.00 0.86 H new ATOM 0 HG21 VAL B 58 149.129 -2.941 0.950 1.00 0.76 H new ATOM 0 HG22 VAL B 58 150.172 -3.579 -0.344 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.637 -4.392 0.044 1.00 0.76 H new ATOM 2404 N HIS B 59 150.681 -7.494 2.698 1.00 0.57 N ATOM 2405 CA HIS B 59 151.311 -8.401 3.699 1.00 0.67 C ATOM 2406 C HIS B 59 151.981 -9.581 2.990 1.00 0.63 C ATOM 2407 O HIS B 59 153.156 -9.838 3.163 1.00 0.71 O ATOM 2408 CB HIS B 59 150.155 -8.889 4.572 1.00 0.75 C ATOM 2409 CG HIS B 59 150.505 -8.701 6.022 1.00 0.96 C ATOM 2410 ND1 HIS B 59 149.733 -8.432 7.125 1.00 1.53 N flip ATOM 2411 CD2 HIS B 59 151.809 -8.787 6.486 1.00 1.68 C flip ATOM 2412 CE1 HIS B 59 150.541 -8.352 8.255 1.00 1.83 C flip ATOM 2413 NE2 HIS B 59 151.782 -8.574 7.814 1.00 1.96 N flip ATOM 0 H HIS B 59 149.672 -7.378 2.792 1.00 0.57 H new ATOM 0 HA HIS B 59 152.082 -7.900 4.285 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.246 -8.337 4.332 1.00 0.75 H new ATOM 0 HB3 HIS B 59 149.952 -9.941 4.370 1.00 0.75 H new ATOM 0 HD2 HIS B 59 152.687 -8.988 5.890 1.00 1.68 H new ATOM 0 HE1 HIS B 59 150.231 -8.153 9.270 1.00 1.83 H new ATOM 0 HE2 HIS B 59 152.609 -8.581 8.411 1.00 1.96 H new ATOM 2421 N THR B 60 151.241 -10.299 2.190 1.00 0.59 N ATOM 2422 CA THR B 60 151.832 -11.462 1.467 1.00 0.64 C ATOM 2423 C THR B 60 152.929 -10.986 0.510 1.00 0.59 C ATOM 2424 O THR B 60 153.979 -11.589 0.404 1.00 0.67 O ATOM 2425 CB THR B 60 150.668 -12.073 0.685 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.900 -11.033 0.096 1.00 0.74 O ATOM 2427 CG2 THR B 60 149.787 -12.888 1.631 1.00 0.84 C ATOM 0 H THR B 60 150.252 -10.131 2.005 1.00 0.59 H new ATOM 0 HA THR B 60 152.291 -12.181 2.145 1.00 0.64 H new ATOM 0 HB THR B 60 151.057 -12.726 -0.096 1.00 0.69 H new ATOM 0 HG1 THR B 60 149.059 -10.928 0.589 1.00 0.74 H new ATOM 0 HG21 THR B 60 148.958 -13.323 1.072 1.00 0.84 H new ATOM 0 HG22 THR B 60 150.378 -13.685 2.082 1.00 0.84 H new ATOM 0 HG23 THR B 60 149.396 -12.238 2.414 1.00 0.84 H new ATOM 2435 N LEU B 61 152.692 -9.910 -0.188 1.00 0.52 N ATOM 2436 CA LEU B 61 153.719 -9.396 -1.138 1.00 0.55 C ATOM 2437 C LEU B 61 155.000 -9.032 -0.383 1.00 0.52 C ATOM 2438 O LEU B 61 156.053 -9.588 -0.627 1.00 0.51 O ATOM 2439 CB LEU B 61 153.092 -8.149 -1.763 1.00 0.60 C ATOM 2440 CG LEU B 61 152.057 -8.568 -2.808 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.195 -7.362 -3.186 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.775 -9.090 -4.054 1.00 1.06 C ATOM 0 H LEU B 61 151.832 -9.364 -0.142 1.00 0.52 H new ATOM 0 HA LEU B 61 153.993 -10.135 -1.891 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.620 -7.541 -0.992 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.864 -7.534 -2.226 1.00 0.60 H new ATOM 0 HG LEU B 61 151.423 -9.353 -2.396 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.457 -7.661 -3.931 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.684 -6.988 -2.299 1.00 1.05 H new ATOM 0 HD13 LEU B 61 151.829 -6.577 -3.598 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.039 -9.389 -4.800 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.409 -8.304 -4.465 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.390 -9.949 -3.786 1.00 1.06 H new ATOM 2454 N GLN B 62 154.918 -8.102 0.530 1.00 0.53 N ATOM 2455 CA GLN B 62 156.130 -7.699 1.300 1.00 0.56 C ATOM 2456 C GLN B 62 156.943 -8.934 1.700 1.00 0.56 C ATOM 2457 O GLN B 62 158.074 -9.102 1.292 1.00 0.56 O ATOM 2458 CB GLN B 62 155.592 -6.989 2.543 1.00 0.62 C ATOM 2459 CG GLN B 62 155.816 -5.481 2.409 1.00 0.69 C ATOM 2460 CD GLN B 62 155.840 -4.843 3.799 1.00 1.06 C ATOM 2461 OE1 GLN B 62 155.003 -4.022 4.118 1.00 1.52 O ATOM 2462 NE2 GLN B 62 156.771 -5.189 4.646 1.00 1.26 N ATOM 0 H GLN B 62 154.063 -7.603 0.776 1.00 0.53 H new ATOM 0 HA GLN B 62 156.792 -7.059 0.717 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.529 -7.200 2.664 1.00 0.62 H new ATOM 0 HB3 GLN B 62 156.095 -7.364 3.435 1.00 0.62 H new ATOM 0 HG2 GLN B 62 156.756 -5.287 1.892 1.00 0.69 H new ATOM 0 HG3 GLN B 62 155.023 -5.037 1.807 1.00 0.69 H new ATOM 0 HE21 GLN B 62 157.474 -5.878 4.378 1.00 1.26 H new ATOM 0 HE22 GLN B 62 156.796 -4.770 5.576 1.00 1.26 H new ATOM 2471 N GLN B 63 156.379 -9.796 2.500 1.00 0.57 N ATOM 2472 CA GLN B 63 157.125 -11.016 2.925 1.00 0.61 C ATOM 2473 C GLN B 63 157.854 -11.634 1.729 1.00 0.57 C ATOM 2474 O GLN B 63 158.947 -12.150 1.855 1.00 0.58 O ATOM 2475 CB GLN B 63 156.054 -11.971 3.453 1.00 0.65 C ATOM 2476 CG GLN B 63 155.544 -11.468 4.805 1.00 0.79 C ATOM 2477 CD GLN B 63 156.731 -11.216 5.737 1.00 1.08 C ATOM 2478 OE1 GLN B 63 157.397 -12.142 6.155 1.00 1.50 O ATOM 2479 NE2 GLN B 63 157.026 -9.992 6.082 1.00 1.50 N ATOM 0 H GLN B 63 155.436 -9.710 2.878 1.00 0.57 H new ATOM 0 HA GLN B 63 157.882 -10.796 3.678 1.00 0.61 H new ATOM 0 HB2 GLN B 63 155.229 -12.038 2.743 1.00 0.65 H new ATOM 0 HB3 GLN B 63 156.466 -12.975 3.558 1.00 0.65 H new ATOM 0 HG2 GLN B 63 154.972 -10.550 4.671 1.00 0.79 H new ATOM 0 HG3 GLN B 63 154.870 -12.202 5.247 1.00 0.79 H new ATOM 0 HE21 GLN B 63 156.467 -9.214 5.731 1.00 1.50 H new ATOM 0 HE22 GLN B 63 157.816 -9.813 6.702 1.00 1.50 H new ATOM 2488 N ASP B 64 157.258 -11.584 0.569 1.00 0.55 N ATOM 2489 CA ASP B 64 157.919 -12.168 -0.635 1.00 0.54 C ATOM 2490 C ASP B 64 159.074 -11.271 -1.090 1.00 0.52 C ATOM 2491 O ASP B 64 159.988 -11.710 -1.760 1.00 0.52 O ATOM 2492 CB ASP B 64 156.824 -12.216 -1.701 1.00 0.53 C ATOM 2493 CG ASP B 64 155.584 -12.906 -1.130 1.00 0.67 C ATOM 2494 OD1 ASP B 64 155.703 -13.523 -0.084 1.00 1.22 O ATOM 2495 OD2 ASP B 64 154.537 -12.807 -1.749 1.00 1.39 O ATOM 0 H ASP B 64 156.343 -11.165 0.402 1.00 0.55 H new ATOM 0 HA ASP B 64 158.341 -13.154 -0.439 1.00 0.54 H new ATOM 0 HB2 ASP B 64 156.574 -11.206 -2.026 1.00 0.53 H new ATOM 0 HB3 ASP B 64 157.180 -12.754 -2.579 1.00 0.53 H new ATOM 2500 N ILE B 65 159.041 -10.018 -0.726 1.00 0.52 N ATOM 2501 CA ILE B 65 160.141 -9.094 -1.134 1.00 0.53 C ATOM 2502 C ILE B 65 161.281 -9.176 -0.117 1.00 0.54 C ATOM 2503 O ILE B 65 162.444 -9.106 -0.463 1.00 0.57 O ATOM 2504 CB ILE B 65 159.546 -7.673 -1.150 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.035 -7.710 -1.411 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.213 -6.863 -2.262 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.527 -6.287 -1.662 1.00 0.64 C ATOM 0 H ILE B 65 158.302 -9.594 -0.165 1.00 0.52 H new ATOM 0 HA ILE B 65 160.540 -9.358 -2.113 1.00 0.53 H new ATOM 0 HB ILE B 65 159.724 -7.216 -0.177 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.819 -8.342 -2.272 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.518 -8.147 -0.557 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.796 -5.856 -2.279 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.286 -6.809 -2.079 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.033 -7.346 -3.222 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.453 -6.311 -1.848 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.730 -5.669 -0.788 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.036 -5.867 -2.530 1.00 0.64 H new ATOM 2519 N ASP B 66 160.956 -9.331 1.138 1.00 0.57 N ATOM 2520 CA ASP B 66 162.019 -9.424 2.179 1.00 0.59 C ATOM 2521 C ASP B 66 162.850 -10.691 1.960 1.00 0.58 C ATOM 2522 O ASP B 66 164.064 -10.653 1.942 1.00 0.58 O ATOM 2523 CB ASP B 66 161.268 -9.495 3.509 1.00 0.68 C ATOM 2524 CG ASP B 66 160.899 -8.081 3.962 1.00 0.89 C ATOM 2525 OD1 ASP B 66 160.510 -7.292 3.116 1.00 1.77 O ATOM 2526 OD2 ASP B 66 161.013 -7.810 5.146 1.00 1.32 O ATOM 0 H ASP B 66 160.000 -9.397 1.487 1.00 0.57 H new ATOM 0 HA ASP B 66 162.707 -8.579 2.149 1.00 0.59 H new ATOM 0 HB2 ASP B 66 160.368 -10.100 3.399 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.887 -9.980 4.263 1.00 0.68 H new ATOM 2531 N ASP B 67 162.204 -11.811 1.785 1.00 0.61 N ATOM 2532 CA ASP B 67 162.959 -13.076 1.558 1.00 0.63 C ATOM 2533 C ASP B 67 163.718 -12.995 0.233 1.00 0.58 C ATOM 2534 O ASP B 67 164.892 -13.296 0.158 1.00 0.66 O ATOM 2535 CB ASP B 67 161.893 -14.172 1.500 1.00 0.71 C ATOM 2536 CG ASP B 67 161.477 -14.557 2.920 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.358 -14.775 3.736 1.00 1.65 O ATOM 2538 OD2 ASP B 67 160.285 -14.629 3.168 1.00 1.88 O ATOM 0 H ASP B 67 161.188 -11.905 1.789 1.00 0.61 H new ATOM 0 HA ASP B 67 163.694 -13.269 2.340 1.00 0.63 H new ATOM 0 HB2 ASP B 67 161.027 -13.822 0.939 1.00 0.71 H new ATOM 0 HB3 ASP B 67 162.282 -15.044 0.975 1.00 0.71 H new ATOM 2543 N LEU B 68 163.055 -12.583 -0.814 1.00 0.53 N ATOM 2544 CA LEU B 68 163.740 -12.476 -2.134 1.00 0.53 C ATOM 2545 C LEU B 68 164.879 -11.458 -2.051 1.00 0.55 C ATOM 2546 O LEU B 68 165.944 -11.656 -2.603 1.00 0.58 O ATOM 2547 CB LEU B 68 162.660 -11.995 -3.103 1.00 0.52 C ATOM 2548 CG LEU B 68 161.762 -13.169 -3.494 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.786 -12.724 -4.583 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.626 -14.317 -4.023 1.00 1.07 C ATOM 0 H LEU B 68 162.070 -12.316 -0.812 1.00 0.53 H new ATOM 0 HA LEU B 68 164.179 -13.422 -2.452 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.065 -11.208 -2.639 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.121 -11.564 -3.992 1.00 0.52 H new ATOM 0 HG LEU B 68 161.203 -13.506 -2.621 1.00 0.70 H new ATOM 0 HD11 LEU B 68 160.146 -13.561 -4.862 1.00 0.57 H new ATOM 0 HD12 LEU B 68 160.171 -11.906 -4.208 1.00 0.57 H new ATOM 0 HD13 LEU B 68 161.344 -12.388 -5.457 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.987 -15.155 -4.302 1.00 1.07 H new ATOM 0 HD22 LEU B 68 163.184 -13.980 -4.896 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.323 -14.635 -3.248 1.00 1.07 H new ATOM 2562 N LYS B 69 164.664 -10.369 -1.363 1.00 0.57 N ATOM 2563 CA LYS B 69 165.735 -9.340 -1.245 1.00 0.61 C ATOM 2564 C LYS B 69 166.966 -9.940 -0.558 1.00 0.64 C ATOM 2565 O LYS B 69 168.080 -9.790 -1.018 1.00 0.71 O ATOM 2566 CB LYS B 69 165.129 -8.230 -0.386 1.00 0.67 C ATOM 2567 CG LYS B 69 166.215 -7.214 -0.026 1.00 1.43 C ATOM 2568 CD LYS B 69 166.573 -6.389 -1.265 1.00 1.64 C ATOM 2569 CE LYS B 69 165.822 -5.056 -1.226 1.00 2.17 C ATOM 2570 NZ LYS B 69 166.594 -4.208 -0.275 1.00 2.25 N ATOM 0 H LYS B 69 163.794 -10.148 -0.878 1.00 0.57 H new ATOM 0 HA LYS B 69 166.060 -8.968 -2.217 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.320 -7.738 -0.926 1.00 0.67 H new ATOM 0 HB3 LYS B 69 164.696 -8.652 0.521 1.00 0.67 H new ATOM 0 HG2 LYS B 69 165.865 -6.559 0.772 1.00 1.43 H new ATOM 0 HG3 LYS B 69 167.099 -7.729 0.349 1.00 1.43 H new ATOM 0 HD2 LYS B 69 167.648 -6.212 -1.299 1.00 1.64 H new ATOM 0 HD3 LYS B 69 166.312 -6.939 -2.169 1.00 1.64 H new ATOM 0 HE2 LYS B 69 165.776 -4.599 -2.215 1.00 2.17 H new ATOM 0 HE3 LYS B 69 164.794 -5.191 -0.890 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 165.936 -3.699 0.349 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 167.219 -4.810 0.298 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 167.167 -3.522 -0.807 1.00 2.25 H new ATOM 2584 N ARG B 70 166.773 -10.619 0.539 1.00 0.64 N ATOM 2585 CA ARG B 70 167.932 -11.230 1.252 1.00 0.70 C ATOM 2586 C ARG B 70 168.608 -12.272 0.358 1.00 0.67 C ATOM 2587 O ARG B 70 169.812 -12.438 0.381 1.00 0.71 O ATOM 2588 CB ARG B 70 167.330 -11.896 2.489 1.00 0.78 C ATOM 2589 CG ARG B 70 168.223 -11.625 3.702 1.00 1.17 C ATOM 2590 CD ARG B 70 169.228 -12.768 3.862 1.00 1.29 C ATOM 2591 NE ARG B 70 169.892 -12.514 5.171 1.00 1.57 N ATOM 2592 CZ ARG B 70 169.808 -13.399 6.127 1.00 2.02 C ATOM 2593 NH1 ARG B 70 170.257 -14.609 5.936 1.00 2.36 N ATOM 2594 NH2 ARG B 70 169.277 -13.072 7.273 1.00 2.75 N ATOM 0 H ARG B 70 165.864 -10.778 0.973 1.00 0.64 H new ATOM 0 HA ARG B 70 168.691 -10.494 1.515 1.00 0.70 H new ATOM 0 HB2 ARG B 70 166.326 -11.511 2.670 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.235 -12.970 2.327 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.749 -10.679 3.575 1.00 1.17 H new ATOM 0 HG3 ARG B 70 167.614 -11.533 4.602 1.00 1.17 H new ATOM 0 HD2 ARG B 70 168.729 -13.737 3.854 1.00 1.29 H new ATOM 0 HD3 ARG B 70 169.951 -12.775 3.047 1.00 1.29 H new ATOM 0 HE ARG B 70 170.412 -11.649 5.320 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.673 -14.863 5.040 1.00 2.36 H new ATOM 0 HH12 ARG B 70 170.192 -15.301 6.683 1.00 2.36 H new ATOM 0 HH21 ARG B 70 168.928 -12.125 7.422 1.00 2.75 H new ATOM 0 HH22 ARG B 70 169.211 -13.763 8.020 1.00 2.75 H new ATOM 2608 N GLN B 71 167.842 -12.974 -0.430 1.00 0.65 N ATOM 2609 CA GLN B 71 168.437 -14.005 -1.326 1.00 0.68 C ATOM 2610 C GLN B 71 169.417 -13.353 -2.307 1.00 0.58 C ATOM 2611 O GLN B 71 170.613 -13.388 -2.110 1.00 0.58 O ATOM 2612 CB GLN B 71 167.251 -14.608 -2.071 1.00 0.73 C ATOM 2613 CG GLN B 71 166.909 -15.973 -1.471 1.00 1.13 C ATOM 2614 CD GLN B 71 165.500 -15.931 -0.876 1.00 1.30 C ATOM 2615 OE1 GLN B 71 165.327 -15.607 0.282 1.00 2.00 O ATOM 2616 NE2 GLN B 71 164.479 -16.248 -1.624 1.00 1.72 N ATOM 0 H GLN B 71 166.828 -12.878 -0.492 1.00 0.65 H new ATOM 0 HA GLN B 71 168.999 -14.759 -0.775 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.390 -13.943 -2.003 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.489 -14.714 -3.129 1.00 0.73 H new ATOM 0 HG2 GLN B 71 166.968 -16.745 -2.239 1.00 1.13 H new ATOM 0 HG3 GLN B 71 167.633 -16.235 -0.700 1.00 1.13 H new ATOM 0 HE21 GLN B 71 164.624 -16.520 -2.596 1.00 1.72 H new ATOM 0 HE22 GLN B 71 163.536 -16.224 -1.236 1.00 1.72 H new ATOM 2625 N ASN B 72 168.919 -12.756 -3.360 1.00 0.54 N ATOM 2626 CA ASN B 72 169.828 -12.100 -4.349 1.00 0.50 C ATOM 2627 C ASN B 72 170.977 -11.387 -3.623 1.00 0.46 C ATOM 2628 O ASN B 72 172.059 -11.235 -4.154 1.00 0.46 O ATOM 2629 CB ASN B 72 168.946 -11.097 -5.101 1.00 0.52 C ATOM 2630 CG ASN B 72 168.791 -9.815 -4.278 1.00 0.50 C ATOM 2631 OD1 ASN B 72 167.807 -9.713 -3.431 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 169.577 -8.898 -4.408 1.00 0.67 N flip ATOM 0 H ASN B 72 167.924 -12.694 -3.578 1.00 0.54 H new ATOM 0 HA ASN B 72 170.287 -12.818 -5.029 1.00 0.50 H new ATOM 0 HB2 ASN B 72 169.389 -10.866 -6.070 1.00 0.52 H new ATOM 0 HB3 ASN B 72 167.967 -11.535 -5.295 1.00 0.52 H new ATOM 0 HD21 ASN B 72 170.348 -8.977 -5.071 1.00 0.67 H new ATOM 0 HD22 ASN B 72 169.466 -8.049 -3.854 1.00 0.67 H new ATOM 2639 N ALA B 73 170.754 -10.962 -2.406 1.00 0.50 N ATOM 2640 CA ALA B 73 171.841 -10.279 -1.650 1.00 0.54 C ATOM 2641 C ALA B 73 172.995 -11.259 -1.446 1.00 0.54 C ATOM 2642 O ALA B 73 174.065 -11.098 -1.997 1.00 0.57 O ATOM 2643 CB ALA B 73 171.214 -9.893 -0.309 1.00 0.64 C ATOM 0 H ALA B 73 169.870 -11.059 -1.907 1.00 0.50 H new ATOM 0 HA ALA B 73 172.237 -9.405 -2.168 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.956 -9.383 0.306 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.367 -9.229 -0.481 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.872 -10.791 0.205 1.00 0.64 H new ATOM 2649 N LEU B 74 172.774 -12.287 -0.675 1.00 0.54 N ATOM 2650 CA LEU B 74 173.848 -13.295 -0.457 1.00 0.57 C ATOM 2651 C LEU B 74 174.025 -14.122 -1.733 1.00 0.52 C ATOM 2652 O LEU B 74 175.073 -14.685 -1.984 1.00 0.54 O ATOM 2653 CB LEU B 74 173.348 -14.170 0.695 1.00 0.60 C ATOM 2654 CG LEU B 74 171.989 -14.767 0.330 1.00 0.76 C ATOM 2655 CD1 LEU B 74 172.164 -16.227 -0.084 1.00 1.30 C ATOM 2656 CD2 LEU B 74 171.053 -14.686 1.539 1.00 0.94 C ATOM 0 H LEU B 74 171.898 -12.472 -0.187 1.00 0.54 H new ATOM 0 HA LEU B 74 174.813 -12.845 -0.222 1.00 0.57 H new ATOM 0 HB2 LEU B 74 174.064 -14.966 0.898 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.264 -13.577 1.606 1.00 0.60 H new ATOM 0 HG LEU B 74 171.559 -14.206 -0.500 1.00 0.76 H new ATOM 0 HD11 LEU B 74 171.194 -16.650 -0.344 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.827 -16.283 -0.947 1.00 1.30 H new ATOM 0 HD13 LEU B 74 172.596 -16.790 0.743 1.00 1.30 H new ATOM 0 HD21 LEU B 74 170.084 -15.112 1.278 1.00 0.94 H new ATOM 0 HD22 LEU B 74 171.483 -15.245 2.370 1.00 0.94 H new ATOM 0 HD23 LEU B 74 170.925 -13.644 1.831 1.00 0.94 H new ATOM 2668 N LEU B 75 173.004 -14.185 -2.549 1.00 0.48 N ATOM 2669 CA LEU B 75 173.103 -14.959 -3.817 1.00 0.46 C ATOM 2670 C LEU B 75 174.133 -14.301 -4.739 1.00 0.45 C ATOM 2671 O LEU B 75 174.990 -14.955 -5.300 1.00 0.49 O ATOM 2672 CB LEU B 75 171.707 -14.880 -4.437 1.00 0.46 C ATOM 2673 CG LEU B 75 170.932 -16.170 -4.158 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.467 -15.833 -3.882 1.00 0.52 C ATOM 2675 CD2 LEU B 75 171.010 -17.083 -5.381 1.00 0.50 C ATOM 0 H LEU B 75 172.105 -13.731 -2.389 1.00 0.48 H new ATOM 0 HA LEU B 75 173.418 -15.990 -3.656 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.167 -14.027 -4.027 1.00 0.46 H new ATOM 0 HB3 LEU B 75 171.787 -14.720 -5.512 1.00 0.46 H new ATOM 0 HG LEU B 75 171.365 -16.673 -3.293 1.00 0.50 H new ATOM 0 HD11 LEU B 75 168.914 -16.751 -3.683 1.00 0.52 H new ATOM 0 HD12 LEU B 75 169.402 -15.175 -3.015 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.039 -15.332 -4.750 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.459 -18.002 -5.184 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.575 -16.576 -6.242 1.00 0.50 H new ATOM 0 HD23 LEU B 75 172.053 -17.323 -5.590 1.00 0.50 H new ATOM 2687 N GLU B 76 174.056 -13.006 -4.893 1.00 0.50 N ATOM 2688 CA GLU B 76 175.031 -12.299 -5.772 1.00 0.54 C ATOM 2689 C GLU B 76 176.415 -12.299 -5.118 1.00 0.57 C ATOM 2690 O GLU B 76 177.428 -12.373 -5.786 1.00 0.59 O ATOM 2691 CB GLU B 76 174.495 -10.872 -5.896 1.00 0.64 C ATOM 2692 CG GLU B 76 174.855 -10.310 -7.273 1.00 0.68 C ATOM 2693 CD GLU B 76 173.959 -9.110 -7.586 1.00 0.73 C ATOM 2694 OE1 GLU B 76 173.631 -8.384 -6.663 1.00 1.30 O ATOM 2695 OE2 GLU B 76 173.616 -8.939 -8.745 1.00 1.35 O ATOM 0 H GLU B 76 173.360 -12.408 -4.448 1.00 0.50 H new ATOM 0 HA GLU B 76 175.135 -12.777 -6.746 1.00 0.54 H new ATOM 0 HB2 GLU B 76 173.414 -10.865 -5.760 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.919 -10.244 -5.113 1.00 0.64 H new ATOM 0 HG2 GLU B 76 175.903 -10.010 -7.292 1.00 0.68 H new ATOM 0 HG3 GLU B 76 174.730 -11.079 -8.035 1.00 0.68 H new ATOM 2702 N GLN B 77 176.465 -12.224 -3.815 1.00 0.65 N ATOM 2703 CA GLN B 77 177.783 -12.229 -3.120 1.00 0.74 C ATOM 2704 C GLN B 77 178.491 -13.563 -3.366 1.00 0.69 C ATOM 2705 O GLN B 77 179.667 -13.716 -3.095 1.00 0.74 O ATOM 2706 CB GLN B 77 177.453 -12.058 -1.637 1.00 0.86 C ATOM 2707 CG GLN B 77 178.124 -10.789 -1.106 1.00 1.31 C ATOM 2708 CD GLN B 77 177.684 -9.588 -1.947 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.248 -9.323 -2.990 1.00 2.10 O ATOM 2710 NE2 GLN B 77 176.694 -8.845 -1.533 1.00 1.83 N ATOM 0 H GLN B 77 175.651 -12.160 -3.203 1.00 0.65 H new ATOM 0 HA GLN B 77 178.447 -11.441 -3.477 1.00 0.74 H new ATOM 0 HB2 GLN B 77 176.374 -11.996 -1.499 1.00 0.86 H new ATOM 0 HB3 GLN B 77 177.797 -12.926 -1.075 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.855 -10.633 -0.061 1.00 1.31 H new ATOM 0 HG3 GLN B 77 179.208 -10.895 -1.144 1.00 1.31 H new ATOM 0 HE21 GLN B 77 176.221 -9.068 -0.657 1.00 1.83 H new ATOM 0 HE22 GLN B 77 176.394 -8.042 -2.085 1.00 1.83 H new ATOM 2719 N GLN B 78 177.787 -14.523 -3.903 1.00 0.61 N ATOM 2720 CA GLN B 78 178.417 -15.840 -4.191 1.00 0.61 C ATOM 2721 C GLN B 78 178.536 -15.986 -5.700 1.00 0.53 C ATOM 2722 O GLN B 78 179.538 -16.429 -6.226 1.00 0.56 O ATOM 2723 CB GLN B 78 177.456 -16.882 -3.618 1.00 0.65 C ATOM 2724 CG GLN B 78 178.033 -18.282 -3.835 1.00 0.73 C ATOM 2725 CD GLN B 78 178.888 -18.674 -2.629 1.00 1.14 C ATOM 2726 OE1 GLN B 78 179.990 -19.162 -2.783 1.00 1.98 O ATOM 2727 NE2 GLN B 78 178.423 -18.480 -1.425 1.00 1.54 N ATOM 0 H GLN B 78 176.801 -14.450 -4.154 1.00 0.61 H new ATOM 0 HA GLN B 78 179.411 -15.950 -3.758 1.00 0.61 H new ATOM 0 HB2 GLN B 78 177.300 -16.702 -2.554 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.483 -16.799 -4.101 1.00 0.65 H new ATOM 0 HG2 GLN B 78 177.226 -19.002 -3.972 1.00 0.73 H new ATOM 0 HG3 GLN B 78 178.635 -18.302 -4.743 1.00 0.73 H new ATOM 0 HE21 GLN B 78 177.498 -18.070 -1.295 1.00 1.54 H new ATOM 0 HE22 GLN B 78 178.985 -18.738 -0.614 1.00 1.54 H new ATOM 2736 N VAL B 79 177.519 -15.574 -6.397 1.00 0.46 N ATOM 2737 CA VAL B 79 177.547 -15.634 -7.876 1.00 0.48 C ATOM 2738 C VAL B 79 178.717 -14.780 -8.383 1.00 0.50 C ATOM 2739 O VAL B 79 179.140 -14.891 -9.516 1.00 0.59 O ATOM 2740 CB VAL B 79 176.182 -15.062 -8.289 1.00 0.56 C ATOM 2741 CG1 VAL B 79 176.323 -14.132 -9.493 1.00 0.77 C ATOM 2742 CG2 VAL B 79 175.243 -16.214 -8.653 1.00 0.50 C ATOM 0 H VAL B 79 176.661 -15.194 -5.998 1.00 0.46 H new ATOM 0 HA VAL B 79 177.696 -16.632 -8.288 1.00 0.48 H new ATOM 0 HB VAL B 79 175.777 -14.492 -7.453 1.00 0.56 H new ATOM 0 HG11 VAL B 79 175.343 -13.740 -9.766 1.00 0.77 H new ATOM 0 HG12 VAL B 79 176.987 -13.306 -9.239 1.00 0.77 H new ATOM 0 HG13 VAL B 79 176.740 -14.686 -10.334 1.00 0.77 H new ATOM 0 HG21 VAL B 79 174.273 -15.814 -8.947 1.00 0.50 H new ATOM 0 HG22 VAL B 79 175.667 -16.781 -9.481 1.00 0.50 H new ATOM 0 HG23 VAL B 79 175.119 -16.869 -7.790 1.00 0.50 H new ATOM 2752 N ARG B 80 179.240 -13.932 -7.539 1.00 0.61 N ATOM 2753 CA ARG B 80 180.383 -13.069 -7.949 1.00 0.74 C ATOM 2754 C ARG B 80 181.640 -13.468 -7.170 1.00 0.75 C ATOM 2755 O ARG B 80 182.710 -13.603 -7.729 1.00 0.88 O ATOM 2756 CB ARG B 80 179.957 -11.646 -7.586 1.00 0.86 C ATOM 2757 CG ARG B 80 180.951 -10.648 -8.183 1.00 0.93 C ATOM 2758 CD ARG B 80 180.853 -10.681 -9.710 1.00 1.14 C ATOM 2759 NE ARG B 80 181.493 -9.415 -10.163 1.00 1.71 N ATOM 2760 CZ ARG B 80 181.415 -9.058 -11.416 1.00 1.94 C ATOM 2761 NH1 ARG B 80 182.293 -9.498 -12.275 1.00 2.75 N ATOM 2762 NH2 ARG B 80 180.461 -8.260 -11.809 1.00 1.96 N ATOM 0 H ARG B 80 178.923 -13.800 -6.579 1.00 0.61 H new ATOM 0 HA ARG B 80 180.617 -13.163 -9.009 1.00 0.74 H new ATOM 0 HB2 ARG B 80 178.954 -11.447 -7.964 1.00 0.86 H new ATOM 0 HB3 ARG B 80 179.917 -11.532 -6.503 1.00 0.86 H new ATOM 0 HG2 ARG B 80 180.739 -9.644 -7.816 1.00 0.93 H new ATOM 0 HG3 ARG B 80 181.965 -10.895 -7.868 1.00 0.93 H new ATOM 0 HD2 ARG B 80 181.365 -11.551 -10.120 1.00 1.14 H new ATOM 0 HD3 ARG B 80 179.815 -10.738 -10.038 1.00 1.14 H new ATOM 0 HE ARG B 80 181.992 -8.827 -9.495 1.00 1.71 H new ATOM 0 HH11 ARG B 80 183.040 -10.121 -11.967 1.00 2.75 H new ATOM 0 HH12 ARG B 80 182.232 -9.219 -13.254 1.00 2.75 H new ATOM 0 HH21 ARG B 80 179.776 -7.915 -11.137 1.00 1.96 H new ATOM 0 HH22 ARG B 80 180.400 -7.981 -12.788 1.00 1.96 H new ATOM 2776 N ALA B 81 181.517 -13.660 -5.883 1.00 0.70 N ATOM 2777 CA ALA B 81 182.706 -14.054 -5.075 1.00 0.78 C ATOM 2778 C ALA B 81 183.456 -15.195 -5.767 1.00 0.80 C ATOM 2779 O ALA B 81 184.640 -15.381 -5.572 1.00 1.15 O ATOM 2780 CB ALA B 81 182.139 -14.519 -3.733 1.00 0.87 C ATOM 0 H ALA B 81 180.648 -13.561 -5.359 1.00 0.70 H new ATOM 0 HA ALA B 81 183.414 -13.234 -4.953 1.00 0.78 H new ATOM 0 HB1 ALA B 81 182.956 -14.827 -3.080 1.00 0.87 H new ATOM 0 HB2 ALA B 81 181.590 -13.701 -3.267 1.00 0.87 H new ATOM 0 HB3 ALA B 81 181.466 -15.361 -3.894 1.00 0.87 H new ATOM 2786 N LEU B 82 182.774 -15.958 -6.577 1.00 0.77 N ATOM 2787 CA LEU B 82 183.447 -17.085 -7.285 1.00 0.78 C ATOM 2788 C LEU B 82 183.424 -16.846 -8.797 1.00 0.76 C ATOM 2789 O LEU B 82 184.417 -17.018 -9.476 1.00 0.86 O ATOM 2790 CB LEU B 82 182.630 -18.326 -6.924 1.00 0.76 C ATOM 2791 CG LEU B 82 183.557 -19.540 -6.844 1.00 0.75 C ATOM 2792 CD1 LEU B 82 182.826 -20.699 -6.165 1.00 1.08 C ATOM 2793 CD2 LEU B 82 183.972 -19.958 -8.257 1.00 0.99 C ATOM 0 H LEU B 82 181.780 -15.850 -6.779 1.00 0.77 H new ATOM 0 HA LEU B 82 184.493 -17.190 -6.996 1.00 0.78 H new ATOM 0 HB2 LEU B 82 182.125 -18.177 -5.970 1.00 0.76 H new ATOM 0 HB3 LEU B 82 181.855 -18.495 -7.672 1.00 0.76 H new ATOM 0 HG LEU B 82 184.443 -19.281 -6.265 1.00 0.75 H new ATOM 0 HD11 LEU B 82 183.488 -21.563 -6.109 1.00 1.08 H new ATOM 0 HD12 LEU B 82 182.530 -20.403 -5.159 1.00 1.08 H new ATOM 0 HD13 LEU B 82 181.939 -20.958 -6.743 1.00 1.08 H new ATOM 0 HD21 LEU B 82 184.633 -20.823 -8.201 1.00 0.99 H new ATOM 0 HD22 LEU B 82 183.085 -20.216 -8.836 1.00 0.99 H new ATOM 0 HD23 LEU B 82 184.494 -19.133 -8.742 1.00 0.99 H new ATOM 2805 N GLU B 83 182.301 -16.447 -9.329 1.00 0.70 N ATOM 2806 CA GLU B 83 182.221 -16.195 -10.797 1.00 0.77 C ATOM 2807 C GLU B 83 182.896 -14.865 -11.140 1.00 0.88 C ATOM 2808 O GLU B 83 182.313 -14.005 -11.769 1.00 1.35 O ATOM 2809 CB GLU B 83 180.725 -16.134 -11.110 1.00 0.91 C ATOM 2810 CG GLU B 83 180.450 -16.848 -12.435 1.00 1.29 C ATOM 2811 CD GLU B 83 179.521 -15.989 -13.295 1.00 1.73 C ATOM 2812 OE1 GLU B 83 178.437 -15.677 -12.832 1.00 2.26 O ATOM 2813 OE2 GLU B 83 179.910 -15.658 -14.403 1.00 2.22 O ATOM 0 H GLU B 83 181.437 -16.285 -8.812 1.00 0.70 H new ATOM 0 HA GLU B 83 182.726 -16.968 -11.377 1.00 0.77 H new ATOM 0 HB2 GLU B 83 180.156 -16.603 -10.307 1.00 0.91 H new ATOM 0 HB3 GLU B 83 180.397 -15.096 -11.169 1.00 0.91 H new ATOM 0 HG2 GLU B 83 181.386 -17.031 -12.963 1.00 1.29 H new ATOM 0 HG3 GLU B 83 179.994 -17.820 -12.248 1.00 1.29 H new ATOM 2820 N GLY B 84 184.123 -14.691 -10.731 1.00 1.02 N ATOM 2821 CA GLY B 84 184.838 -13.418 -11.032 1.00 1.25 C ATOM 2822 C GLY B 84 186.270 -13.732 -11.465 1.00 1.34 C ATOM 2823 O GLY B 84 186.744 -13.251 -12.475 1.00 1.76 O ATOM 0 H GLY B 84 184.662 -15.376 -10.201 1.00 1.02 H new ATOM 0 HA2 GLY B 84 184.319 -12.874 -11.821 1.00 1.25 H new ATOM 0 HA3 GLY B 84 184.845 -12.775 -10.152 1.00 1.25 H new ATOM 2827 N SER B 85 186.963 -14.540 -10.709 1.00 1.72 N ATOM 2828 CA SER B 85 188.365 -14.888 -11.078 1.00 2.05 C ATOM 2829 C SER B 85 188.397 -16.232 -11.812 1.00 1.86 C ATOM 2830 O SER B 85 189.376 -16.586 -12.437 1.00 2.09 O ATOM 2831 CB SER B 85 189.113 -14.985 -9.750 1.00 2.40 C ATOM 2832 OG SER B 85 188.909 -13.789 -9.008 1.00 3.11 O ATOM 0 H SER B 85 186.619 -14.974 -9.852 1.00 1.72 H new ATOM 0 HA SER B 85 188.813 -14.150 -11.743 1.00 2.05 H new ATOM 0 HB2 SER B 85 188.758 -15.845 -9.181 1.00 2.40 H new ATOM 0 HB3 SER B 85 190.177 -15.139 -9.929 1.00 2.40 H new ATOM 0 HG SER B 85 189.386 -13.848 -8.154 1.00 3.11 H new ATOM 2838 N GLY B 86 187.330 -16.981 -11.742 1.00 2.06 N ATOM 2839 CA GLY B 86 187.298 -18.300 -12.436 1.00 2.04 C ATOM 2840 C GLY B 86 187.823 -19.387 -11.497 1.00 1.94 C ATOM 2841 O GLY B 86 188.717 -20.136 -11.838 1.00 2.16 O ATOM 0 H GLY B 86 186.480 -16.737 -11.235 1.00 2.06 H new ATOM 0 HA2 GLY B 86 186.280 -18.534 -12.746 1.00 2.04 H new ATOM 0 HA3 GLY B 86 187.906 -18.261 -13.340 1.00 2.04 H new ATOM 2845 N CYS B 87 187.275 -19.481 -10.316 1.00 2.04 N ATOM 2846 CA CYS B 87 187.745 -20.522 -9.357 1.00 2.25 C ATOM 2847 C CYS B 87 189.267 -20.456 -9.207 1.00 2.92 C ATOM 2848 O CYS B 87 189.851 -21.463 -8.841 1.00 3.46 O ATOM 2849 CB CYS B 87 187.321 -21.853 -9.980 1.00 2.29 C ATOM 2850 SG CYS B 87 185.518 -21.893 -10.140 1.00 2.53 S ATOM 2851 OXT CYS B 87 189.822 -19.399 -9.459 1.00 3.35 O ATOM 0 H CYS B 87 186.523 -18.883 -9.974 1.00 2.04 H new ATOM 0 HA CYS B 87 187.324 -20.387 -8.361 1.00 2.25 H new ATOM 0 HB2 CYS B 87 187.787 -21.974 -10.958 1.00 2.29 H new ATOM 0 HB3 CYS B 87 187.661 -22.682 -9.360 1.00 2.29 H new TER 2856 CYS B 87