USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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: B 31 GLN : amide:sc= -6.87! C(o=-11!,f=-17!) USER MOD Set 1.2: B 33 CYS SG : rot -31:sc= -4.14! USER MOD Set 2.1: B 1 MET CE :methyl -126:sc= -0.421 (180deg=-3.4!) USER MOD Set 2.2: B 62 THR OG1 : rot -144:sc= -0.469 USER MOD Set 3.1: A 31 GLN : amide:sc= -7.07! C(o=-11!,f=-17!) USER MOD Set 3.2: A 33 CYS SG : rot -36:sc= -4.12! USER MOD Set 4.1: A 1 MET CE :methyl -118:sc= -0.335 (180deg=-3.39!) USER MOD Set 4.2: A 62 THR OG1 : rot 48:sc= -0.537 USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0912 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -4.9! K(o=-4.9!,f=-1.4) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -8! C(o=-8!,f=-8.2!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.34! C(o=-7.3!,f=-13!) USER MOD Single : A 41 HIS : no HD1:sc= -1.29! C(o=-1.3!,f=-2.5!) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= -0.508 (180deg=-2.26!) USER MOD Single : A 48 THR OG1 : rot -140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.94) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 61 TYR OH : rot 17:sc= 0.743 USER MOD Single : A 64 HIS : no HD1:sc= -0.235 K(o=-0.23,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -133:sc= -2.88! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 112:sc= 0.21 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -126:sc= 0.113 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -4.91! K(o=-4.9!,f=-1.4) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : B 29 ASN : amide:sc= -8.03! C(o=-8!,f=-8.2!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -7.33! C(o=-7.3!,f=-12!) USER MOD Single : B 41 HIS : no HD1:sc= -1.37! C(o=-1.4!,f=-2.3!) USER MOD Single : B 46 LYS NZ :NH3+ -148:sc= -0.486 (180deg=-2.2!) USER MOD Single : B 48 THR OG1 : rot -140:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -1.06 X(o=-1.1,f=-1) USER MOD Single : B 56 TYR OH : rot 180:sc=-0.00942 USER MOD Single : B 61 TYR OH : rot 21:sc= 0.84 USER MOD Single : B 64 HIS : no HD1:sc= -0.235 K(o=-0.23,f=-3.9!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -131:sc= -2.88! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 SER OG : rot 112:sc= 0.186 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.652 18.710 4.602 1.00 42.32 N ATOM 2 CA MET A 1 -1.986 17.591 3.876 1.00 40.89 C ATOM 3 C MET A 1 -1.808 16.406 4.823 1.00 34.75 C ATOM 4 O MET A 1 -2.383 16.359 5.893 1.00 33.97 O ATOM 5 CB MET A 1 -0.609 18.051 3.377 1.00 48.45 C ATOM 6 CG MET A 1 0.383 18.097 4.548 1.00 56.13 C ATOM 7 SD MET A 1 1.220 19.701 4.565 1.00 64.91 S ATOM 8 CE MET A 1 2.473 19.315 3.318 1.00 63.43 C ATOM 0 H1 MET A 1 -3.533 18.966 4.112 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.871 18.412 5.574 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.018 19.534 4.627 1.00 42.32 H new ATOM 0 HA MET A 1 -2.601 17.293 3.027 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.245 17.370 2.608 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.689 19.037 2.918 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.142 17.939 5.490 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.114 17.294 4.451 1.00 56.13 H new ATOM 0 HE1 MET A 1 3.465 19.384 3.765 1.00 63.43 H new ATOM 0 HE2 MET A 1 2.313 18.304 2.943 1.00 63.43 H new ATOM 0 HE3 MET A 1 2.397 20.024 2.494 1.00 63.43 H new ATOM 20 N ILE A 2 -0.999 15.457 4.446 1.00 28.59 N ATOM 21 CA ILE A 2 -0.768 14.288 5.337 1.00 24.58 C ATOM 22 C ILE A 2 0.005 14.780 6.554 1.00 19.29 C ATOM 23 O ILE A 2 1.188 14.558 6.688 1.00 19.53 O ATOM 24 CB ILE A 2 0.042 13.224 4.600 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.287 13.272 3.102 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.314 11.851 5.167 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.171 11.981 2.425 1.00 33.80 C ATOM 0 H ILE A 2 -0.489 15.440 3.563 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.717 13.845 5.641 1.00 24.58 H new ATOM 0 HB ILE A 2 1.108 13.410 4.733 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.360 13.406 2.961 1.00 28.92 H new ATOM 0 HG13 ILE A 2 0.204 14.129 2.641 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.259 11.083 4.647 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.077 11.824 6.230 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.379 11.665 5.028 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.066 12.024 1.362 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.247 11.866 2.552 1.00 33.80 H new ATOM 0 HD13 ILE A 2 -0.341 11.132 2.877 1.00 33.80 H new ATOM 39 N LYS A 3 -0.664 15.483 7.418 1.00 18.14 N ATOM 40 CA LYS A 3 0.005 16.058 8.619 1.00 16.66 C ATOM 41 C LYS A 3 0.567 14.982 9.541 1.00 14.94 C ATOM 42 O LYS A 3 0.139 13.846 9.545 1.00 13.94 O ATOM 43 CB LYS A 3 -0.994 16.921 9.391 1.00 16.94 C ATOM 44 CG LYS A 3 -0.736 18.396 9.079 1.00 17.85 C ATOM 45 CD LYS A 3 -1.215 19.259 10.247 1.00 19.63 C ATOM 46 CE LYS A 3 -1.645 20.631 9.724 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.022 21.698 10.557 1.00 32.72 N ATOM 0 H LYS A 3 -1.660 15.688 7.345 1.00 18.14 H new ATOM 0 HA LYS A 3 0.844 16.661 8.272 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.014 16.652 9.115 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.896 16.741 10.462 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.327 18.561 8.904 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.257 18.681 8.165 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.049 18.773 10.754 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -0.417 19.371 10.981 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.344 20.746 8.683 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.731 20.719 9.754 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.314 22.631 10.202 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.330 21.592 11.545 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 0.014 21.617 10.507 1.00 32.72 H new ATOM 61 N VAL A 4 1.537 15.368 10.328 1.00 12.42 N ATOM 62 CA VAL A 4 2.184 14.431 11.284 1.00 12.99 C ATOM 63 C VAL A 4 2.876 15.251 12.378 1.00 14.26 C ATOM 64 O VAL A 4 3.008 16.454 12.274 1.00 13.80 O ATOM 65 CB VAL A 4 3.222 13.581 10.546 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.887 12.610 11.525 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.542 12.792 9.426 1.00 10.41 C ATOM 0 H VAL A 4 1.914 16.316 10.346 1.00 12.42 H new ATOM 0 HA VAL A 4 1.436 13.774 11.727 1.00 12.99 H new ATOM 0 HB VAL A 4 3.980 14.236 10.117 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.625 12.007 10.995 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.380 13.173 12.318 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.130 11.957 11.960 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.284 12.189 8.904 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.779 12.140 9.852 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.077 13.484 8.724 1.00 10.41 H new ATOM 77 N GLU A 5 3.313 14.614 13.426 1.00 9.27 N ATOM 78 CA GLU A 5 3.990 15.356 14.528 1.00 10.51 C ATOM 79 C GLU A 5 4.966 14.435 15.239 1.00 10.00 C ATOM 80 O GLU A 5 4.589 13.604 16.041 1.00 10.96 O ATOM 81 CB GLU A 5 2.945 15.854 15.520 1.00 10.42 C ATOM 82 CG GLU A 5 2.313 17.127 14.969 1.00 18.68 C ATOM 83 CD GLU A 5 1.219 17.614 15.920 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.205 17.165 17.054 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.413 18.427 15.499 1.00 22.12 O ATOM 0 H GLU A 5 3.231 13.607 13.569 1.00 9.27 H new ATOM 0 HA GLU A 5 4.533 16.205 14.113 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.182 15.092 15.679 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.406 16.050 16.488 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.073 17.899 14.848 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.892 16.937 13.982 1.00 18.68 H new ATOM 92 N ILE A 6 6.224 14.589 14.961 1.00 9.86 N ATOM 93 CA ILE A 6 7.232 13.729 15.641 1.00 10.60 C ATOM 94 C ILE A 6 7.393 14.240 17.079 1.00 10.16 C ATOM 95 O ILE A 6 7.983 15.275 17.323 1.00 11.64 O ATOM 96 CB ILE A 6 8.569 13.763 14.867 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.580 12.621 13.846 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.754 13.574 15.816 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.274 13.165 12.450 1.00 13.81 C ATOM 0 H ILE A 6 6.600 15.267 14.298 1.00 9.86 H new ATOM 0 HA ILE A 6 6.905 12.689 15.664 1.00 10.60 H new ATOM 0 HB ILE A 6 8.660 14.731 14.373 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.553 12.129 13.849 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.842 11.868 14.122 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.684 13.602 15.247 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.758 14.373 16.557 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.666 12.612 16.321 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.284 12.346 11.730 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.291 13.636 12.450 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.029 13.901 12.173 1.00 13.81 H new ATOM 111 N LYS A 7 6.856 13.521 18.030 1.00 11.63 N ATOM 112 CA LYS A 7 6.949 13.949 19.452 1.00 11.59 C ATOM 113 C LYS A 7 8.414 14.152 19.834 1.00 12.98 C ATOM 114 O LYS A 7 9.301 13.722 19.123 1.00 9.79 O ATOM 115 CB LYS A 7 6.325 12.859 20.330 1.00 12.52 C ATOM 116 CG LYS A 7 4.808 13.038 20.330 1.00 14.26 C ATOM 117 CD LYS A 7 4.172 12.205 21.443 1.00 15.70 C ATOM 118 CE LYS A 7 3.270 13.100 22.289 1.00 19.19 C ATOM 119 NZ LYS A 7 4.102 13.883 23.247 1.00 25.43 N ATOM 0 H LYS A 7 6.352 12.647 17.878 1.00 11.63 H new ATOM 0 HA LYS A 7 6.417 14.890 19.596 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.589 11.872 19.951 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.713 12.924 21.346 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.560 14.090 20.468 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.400 12.738 19.365 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.593 11.386 21.015 1.00 15.70 H new ATOM 0 HD3 LYS A 7 4.946 11.757 22.066 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.704 13.775 21.647 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.545 12.494 22.832 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.487 14.493 23.823 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.623 13.231 23.868 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.777 14.472 22.719 1.00 25.43 H new ATOM 133 N PRO A 8 8.629 14.793 20.955 1.00 13.56 N ATOM 134 CA PRO A 8 9.986 15.048 21.456 1.00 11.93 C ATOM 135 C PRO A 8 10.582 13.739 21.959 1.00 10.20 C ATOM 136 O PRO A 8 11.781 13.597 22.099 1.00 12.05 O ATOM 137 CB PRO A 8 9.778 16.065 22.582 1.00 12.78 C ATOM 138 CG PRO A 8 8.304 15.928 23.023 1.00 12.51 C ATOM 139 CD PRO A 8 7.552 15.306 21.830 1.00 13.61 C ATOM 0 HA PRO A 8 10.678 15.430 20.706 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.453 15.867 23.415 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.988 17.077 22.236 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.220 15.297 23.908 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.884 16.900 23.284 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.885 14.507 22.152 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.938 16.046 21.316 1.00 13.61 H new ATOM 147 N SER A 9 9.745 12.772 22.204 1.00 10.65 N ATOM 148 CA SER A 9 10.249 11.452 22.667 1.00 10.83 C ATOM 149 C SER A 9 10.507 10.561 21.447 1.00 10.94 C ATOM 150 O SER A 9 11.036 9.473 21.561 1.00 13.16 O ATOM 151 CB SER A 9 9.208 10.793 23.574 1.00 13.01 C ATOM 152 OG SER A 9 9.854 9.856 24.425 1.00 15.52 O ATOM 0 H SER A 9 8.732 12.839 22.103 1.00 10.65 H new ATOM 0 HA SER A 9 11.175 11.587 23.227 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.696 11.549 24.169 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.449 10.293 22.973 1.00 13.01 H new ATOM 0 HG SER A 9 9.190 9.433 25.009 1.00 15.52 H new ATOM 158 N GLN A 10 10.139 11.019 20.279 1.00 10.02 N ATOM 159 CA GLN A 10 10.363 10.208 19.050 1.00 11.55 C ATOM 160 C GLN A 10 11.252 10.987 18.079 1.00 13.72 C ATOM 161 O GLN A 10 11.023 10.994 16.887 1.00 17.31 O ATOM 162 CB GLN A 10 9.023 9.923 18.380 1.00 6.60 C ATOM 163 CG GLN A 10 7.979 9.644 19.455 1.00 7.20 C ATOM 164 CD GLN A 10 8.342 8.368 20.224 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.781 8.099 21.268 1.00 13.01 O ATOM 166 NE2 GLN A 10 9.260 7.564 19.756 1.00 4.80 N ATOM 0 H GLN A 10 9.692 11.923 20.125 1.00 10.02 H new ATOM 0 HA GLN A 10 10.848 9.270 19.319 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.718 10.774 17.771 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.111 9.068 17.710 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.919 10.488 20.143 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.995 9.535 18.998 1.00 7.20 H new ATOM 0 HE21 GLN A 10 9.734 7.786 18.880 1.00 4.80 H new ATOM 0 HE22 GLN A 10 9.503 6.715 20.267 1.00 4.80 H new ATOM 175 N ALA A 11 12.257 11.655 18.577 1.00 15.28 N ATOM 176 CA ALA A 11 13.146 12.441 17.673 1.00 18.95 C ATOM 177 C ALA A 11 14.471 11.703 17.470 1.00 20.75 C ATOM 178 O ALA A 11 15.434 12.263 16.986 1.00 24.78 O ATOM 179 CB ALA A 11 13.416 13.813 18.293 1.00 17.72 C ATOM 0 H ALA A 11 12.501 11.691 19.567 1.00 15.28 H new ATOM 0 HA ALA A 11 12.655 12.564 16.707 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.066 14.389 17.634 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.473 14.343 18.427 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.902 13.686 19.260 1.00 17.72 H new ATOM 185 N GLN A 12 14.529 10.453 17.835 1.00 22.50 N ATOM 186 CA GLN A 12 15.794 9.689 17.659 1.00 25.43 C ATOM 187 C GLN A 12 15.487 8.289 17.133 1.00 22.80 C ATOM 188 O GLN A 12 14.563 7.636 17.576 1.00 20.93 O ATOM 189 CB GLN A 12 16.512 9.581 19.001 1.00 30.18 C ATOM 190 CG GLN A 12 17.409 10.801 19.178 1.00 42.11 C ATOM 191 CD GLN A 12 18.248 10.645 20.447 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.065 11.371 21.404 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.169 9.721 20.496 1.00 47.90 N ATOM 0 H GLN A 12 13.757 9.929 18.247 1.00 22.50 H new ATOM 0 HA GLN A 12 16.430 10.209 16.943 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.787 9.524 19.813 1.00 30.18 H new ATOM 0 HB3 GLN A 12 17.105 8.668 19.039 1.00 30.18 H new ATOM 0 HG2 GLN A 12 18.061 10.914 18.311 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.802 11.704 19.241 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.323 9.111 19.693 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.735 9.609 21.337 1.00 47.90 H new ATOM 202 N PHE A 13 16.256 7.823 16.190 1.00 21.61 N ATOM 203 CA PHE A 13 16.011 6.468 15.635 1.00 20.51 C ATOM 204 C PHE A 13 16.850 5.444 16.396 1.00 18.83 C ATOM 205 O PHE A 13 17.716 5.788 17.176 1.00 18.83 O ATOM 206 CB PHE A 13 16.421 6.448 14.167 1.00 19.56 C ATOM 207 CG PHE A 13 17.850 6.926 14.063 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.907 6.030 14.263 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.116 8.270 13.777 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.229 6.480 14.174 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.436 8.719 13.690 1.00 14.07 C ATOM 212 CZ PHE A 13 20.491 7.826 13.888 1.00 18.48 C ATOM 0 H PHE A 13 17.044 8.324 15.780 1.00 21.61 H new ATOM 0 HA PHE A 13 14.954 6.222 15.733 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.328 5.441 13.761 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.763 7.090 13.581 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.702 4.993 14.486 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.300 8.961 13.623 1.00 15.55 H new ATOM 0 HE1 PHE A 13 21.046 5.790 14.326 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.640 9.756 13.470 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.511 8.174 13.820 1.00 18.48 H new ATOM 222 N THR A 14 16.609 4.188 16.159 1.00 14.89 N ATOM 223 CA THR A 14 17.398 3.134 16.847 1.00 13.37 C ATOM 224 C THR A 14 17.656 1.998 15.863 1.00 11.97 C ATOM 225 O THR A 14 17.002 1.889 14.845 1.00 10.76 O ATOM 226 CB THR A 14 16.619 2.599 18.050 1.00 13.68 C ATOM 227 OG1 THR A 14 17.396 1.611 18.713 1.00 13.48 O ATOM 228 CG2 THR A 14 15.304 1.980 17.574 1.00 9.24 C ATOM 0 H THR A 14 15.896 3.845 15.515 1.00 14.89 H new ATOM 0 HA THR A 14 18.342 3.552 17.196 1.00 13.37 H new ATOM 0 HB THR A 14 16.405 3.417 18.738 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.899 1.268 19.485 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.750 1.599 18.432 1.00 9.24 H new ATOM 0 HG22 THR A 14 14.709 2.738 17.065 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.515 1.161 16.886 1.00 9.24 H new ATOM 236 N THR A 15 18.598 1.152 16.151 1.00 13.20 N ATOM 237 CA THR A 15 18.881 0.030 15.219 1.00 12.54 C ATOM 238 C THR A 15 18.051 -1.186 15.630 1.00 14.34 C ATOM 239 O THR A 15 18.278 -1.787 16.661 1.00 17.35 O ATOM 240 CB THR A 15 20.368 -0.324 15.272 1.00 11.88 C ATOM 241 OG1 THR A 15 21.091 0.756 15.845 1.00 17.15 O ATOM 242 CG2 THR A 15 20.875 -0.589 13.855 1.00 8.30 C ATOM 0 H THR A 15 19.182 1.187 16.986 1.00 13.20 H new ATOM 0 HA THR A 15 18.620 0.327 14.203 1.00 12.54 H new ATOM 0 HB THR A 15 20.511 -1.217 15.881 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.044 0.529 15.881 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.935 -0.842 13.889 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.318 -1.418 13.418 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.734 0.304 13.245 1.00 8.30 H new ATOM 435 N LEU A 28 18.318 -1.502 10.089 1.00 18.57 N ATOM 436 CA LEU A 28 18.372 -0.059 9.722 1.00 16.31 C ATOM 437 C LEU A 28 17.851 0.795 10.880 1.00 14.21 C ATOM 438 O LEU A 28 17.214 0.306 11.792 1.00 16.97 O ATOM 439 CB LEU A 28 17.502 0.176 8.487 1.00 16.48 C ATOM 440 CG LEU A 28 18.349 0.021 7.224 1.00 22.19 C ATOM 441 CD1 LEU A 28 19.345 1.180 7.130 1.00 24.00 C ATOM 442 CD2 LEU A 28 19.112 -1.306 7.281 1.00 22.01 C ATOM 0 HA LEU A 28 19.404 0.221 9.509 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.675 -0.534 8.472 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.064 1.174 8.523 1.00 16.48 H new ATOM 0 HG LEU A 28 17.700 0.030 6.348 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.949 1.069 6.229 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.802 2.124 7.089 1.00 24.00 H new ATOM 0 HD13 LEU A 28 19.995 1.173 8.005 1.00 24.00 H new ATOM 0 HD21 LEU A 28 19.716 -1.417 6.381 1.00 22.01 H new ATOM 0 HD22 LEU A 28 19.761 -1.315 8.157 1.00 22.01 H new ATOM 0 HD23 LEU A 28 18.403 -2.131 7.346 1.00 22.01 H new ATOM 454 N ASN A 29 18.118 2.072 10.844 1.00 11.64 N ATOM 455 CA ASN A 29 17.640 2.971 11.933 1.00 9.77 C ATOM 456 C ASN A 29 16.133 3.202 11.775 1.00 7.94 C ATOM 457 O ASN A 29 15.679 3.720 10.774 1.00 10.52 O ATOM 458 CB ASN A 29 18.361 4.315 11.830 1.00 14.73 C ATOM 459 CG ASN A 29 19.805 4.168 12.309 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.120 3.269 13.064 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.704 5.021 11.898 1.00 12.89 N ATOM 0 H ASN A 29 18.648 2.533 10.105 1.00 11.64 H new ATOM 0 HA ASN A 29 17.845 2.513 12.900 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.345 4.668 10.799 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.843 5.062 12.431 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.671 4.933 12.210 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.439 5.775 11.264 1.00 12.89 H new ATOM 468 N GLU A 30 15.354 2.829 12.753 1.00 8.58 N ATOM 469 CA GLU A 30 13.881 3.038 12.651 1.00 13.16 C ATOM 470 C GLU A 30 13.462 4.156 13.611 1.00 12.26 C ATOM 471 O GLU A 30 14.002 4.291 14.691 1.00 10.58 O ATOM 472 CB GLU A 30 13.156 1.743 13.025 1.00 14.93 C ATOM 473 CG GLU A 30 12.985 0.874 11.777 1.00 27.13 C ATOM 474 CD GLU A 30 11.677 0.086 11.877 1.00 33.28 C ATOM 475 OE1 GLU A 30 10.664 0.694 12.180 1.00 40.03 O ATOM 476 OE2 GLU A 30 11.712 -1.112 11.649 1.00 38.01 O ATOM 0 H GLU A 30 15.672 2.389 13.617 1.00 8.58 H new ATOM 0 HA GLU A 30 13.620 3.317 11.630 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.723 1.202 13.783 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.182 1.971 13.458 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.978 1.499 10.884 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.828 0.189 11.680 1.00 27.13 H new ATOM 483 N GLN A 31 12.506 4.960 13.228 1.00 10.34 N ATOM 484 CA GLN A 31 12.062 6.067 14.123 1.00 9.46 C ATOM 485 C GLN A 31 10.536 6.041 14.252 1.00 10.09 C ATOM 486 O GLN A 31 9.871 5.202 13.679 1.00 9.36 O ATOM 487 CB GLN A 31 12.504 7.410 13.529 1.00 7.25 C ATOM 488 CG GLN A 31 12.693 8.437 14.649 1.00 10.62 C ATOM 489 CD GLN A 31 11.762 9.627 14.409 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.671 9.466 13.900 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.151 10.824 14.752 1.00 12.39 N ATOM 0 H GLN A 31 12.015 4.898 12.336 1.00 10.34 H new ATOM 0 HA GLN A 31 12.510 5.940 15.109 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.436 7.285 12.977 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.758 7.767 12.818 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.477 7.981 15.615 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.730 8.772 14.679 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.067 10.960 15.179 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.539 11.624 14.593 1.00 12.39 H new ATOM 500 N LEU A 32 9.977 6.951 15.004 1.00 6.80 N ATOM 501 CA LEU A 32 8.495 6.972 15.170 1.00 10.34 C ATOM 502 C LEU A 32 7.974 8.404 15.002 1.00 9.02 C ATOM 503 O LEU A 32 8.705 9.363 15.148 1.00 11.15 O ATOM 504 CB LEU A 32 8.133 6.454 16.564 1.00 10.20 C ATOM 505 CG LEU A 32 8.954 5.201 16.872 1.00 16.38 C ATOM 506 CD1 LEU A 32 10.346 5.609 17.361 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.249 4.384 17.958 1.00 15.89 C ATOM 0 H LEU A 32 10.481 7.679 15.510 1.00 6.80 H new ATOM 0 HA LEU A 32 8.037 6.334 14.414 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.329 7.223 17.311 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.068 6.225 16.613 1.00 10.20 H new ATOM 0 HG LEU A 32 9.050 4.598 15.969 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.931 4.716 17.580 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.848 6.190 16.587 1.00 17.42 H new ATOM 0 HD13 LEU A 32 10.252 6.212 18.264 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.833 3.491 18.178 1.00 15.89 H new ATOM 0 HD22 LEU A 32 8.152 4.986 18.861 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.258 4.093 17.609 1.00 15.89 H new ATOM 519 N CYS A 33 6.711 8.552 14.702 1.00 9.68 N ATOM 520 CA CYS A 33 6.125 9.911 14.527 1.00 8.10 C ATOM 521 C CYS A 33 4.642 9.834 14.880 1.00 6.34 C ATOM 522 O CYS A 33 4.134 8.778 15.187 1.00 8.02 O ATOM 523 CB CYS A 33 6.277 10.374 13.072 1.00 8.88 C ATOM 524 SG CYS A 33 7.837 9.764 12.384 1.00 13.84 S ATOM 0 H CYS A 33 6.055 7.782 14.570 1.00 9.68 H new ATOM 0 HA CYS A 33 6.641 10.622 15.172 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.440 10.008 12.477 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.251 11.463 13.024 1.00 8.88 H new ATOM 0 HG CYS A 33 8.750 9.768 13.309 1.00 13.84 H new ATOM 530 N TYR A 34 3.938 10.929 14.843 1.00 7.35 N ATOM 531 CA TYR A 34 2.491 10.875 15.187 1.00 7.08 C ATOM 532 C TYR A 34 1.661 11.503 14.067 1.00 7.71 C ATOM 533 O TYR A 34 1.847 12.651 13.714 1.00 7.80 O ATOM 534 CB TYR A 34 2.241 11.652 16.474 1.00 8.67 C ATOM 535 CG TYR A 34 2.647 10.826 17.672 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.967 10.872 18.127 1.00 12.44 C ATOM 537 CD2 TYR A 34 1.700 10.043 18.345 1.00 13.61 C ATOM 538 CE1 TYR A 34 4.341 10.141 19.256 1.00 16.38 C ATOM 539 CE2 TYR A 34 2.074 9.310 19.470 1.00 17.22 C ATOM 540 CZ TYR A 34 3.392 9.362 19.928 1.00 16.83 C ATOM 541 OH TYR A 34 3.762 8.639 21.043 1.00 21.14 O ATOM 0 H TYR A 34 4.297 11.850 14.592 1.00 7.35 H new ATOM 0 HA TYR A 34 2.202 9.832 15.317 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.805 12.585 16.459 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.186 11.918 16.547 1.00 8.67 H new ATOM 0 HD1 TYR A 34 4.698 11.473 17.606 1.00 12.44 H new ATOM 0 HD2 TYR A 34 0.680 10.007 17.992 1.00 13.61 H new ATOM 0 HE1 TYR A 34 5.361 10.177 19.610 1.00 16.38 H new ATOM 0 HE2 TYR A 34 1.345 8.703 19.987 1.00 17.22 H new ATOM 0 HH TYR A 34 2.985 8.153 21.391 1.00 21.14 H new ATOM 551 N VAL A 35 0.741 10.766 13.511 1.00 9.44 N ATOM 552 CA VAL A 35 -0.102 11.329 12.422 1.00 10.66 C ATOM 553 C VAL A 35 -1.534 11.543 12.926 1.00 10.57 C ATOM 554 O VAL A 35 -2.143 10.660 13.497 1.00 8.31 O ATOM 555 CB VAL A 35 -0.098 10.370 11.232 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.038 10.898 10.153 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.323 10.276 10.674 1.00 9.86 C ATOM 0 H VAL A 35 0.537 9.799 13.764 1.00 9.44 H new ATOM 0 HA VAL A 35 0.303 12.291 12.109 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.434 9.383 11.550 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -1.037 10.215 9.303 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.048 10.974 10.556 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.702 11.883 9.828 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.336 9.594 9.824 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.653 11.263 10.351 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.994 9.904 11.448 1.00 9.86 H new ATOM 567 N ASP A 36 -2.070 12.722 12.724 1.00 8.58 N ATOM 568 CA ASP A 36 -3.452 13.015 13.190 1.00 11.48 C ATOM 569 C ASP A 36 -4.324 13.433 12.000 1.00 12.38 C ATOM 570 O ASP A 36 -5.535 13.470 12.090 1.00 11.89 O ATOM 571 CB ASP A 36 -3.421 14.155 14.210 1.00 16.17 C ATOM 572 CG ASP A 36 -2.247 13.960 15.171 1.00 17.97 C ATOM 573 OD1 ASP A 36 -1.138 13.784 14.695 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.478 13.995 16.369 1.00 25.89 O ATOM 0 H ASP A 36 -1.602 13.496 12.253 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.867 12.119 13.651 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.327 15.112 13.697 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.358 14.182 14.767 1.00 16.17 H new ATOM 579 N LEU A 37 -3.709 13.752 10.893 1.00 13.17 N ATOM 580 CA LEU A 37 -4.474 14.175 9.680 1.00 18.47 C ATOM 581 C LEU A 37 -5.776 13.382 9.563 1.00 21.14 C ATOM 582 O LEU A 37 -6.756 13.856 9.023 1.00 24.24 O ATOM 583 CB LEU A 37 -3.622 13.898 8.444 1.00 15.81 C ATOM 584 CG LEU A 37 -3.025 12.495 8.563 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.073 11.444 8.177 1.00 14.72 C ATOM 586 CD2 LEU A 37 -1.816 12.369 7.637 1.00 20.01 C ATOM 0 H LEU A 37 -2.696 13.738 10.774 1.00 13.17 H new ATOM 0 HA LEU A 37 -4.710 15.236 9.761 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.229 13.975 7.542 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.828 14.640 8.358 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.713 12.330 9.594 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -3.639 10.448 8.265 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -4.932 11.525 8.843 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.394 11.611 7.149 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -1.393 11.368 7.725 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -2.127 12.543 6.607 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -1.064 13.106 7.918 1.00 20.01 H new ATOM 598 N GLY A 38 -5.792 12.172 10.047 1.00 20.70 N ATOM 599 CA GLY A 38 -7.020 11.349 9.942 1.00 23.91 C ATOM 600 C GLY A 38 -7.438 10.872 11.335 1.00 26.50 C ATOM 601 O GLY A 38 -8.181 9.921 11.480 1.00 31.02 O ATOM 0 H GLY A 38 -5.004 11.720 10.511 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.823 11.931 9.490 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.842 10.493 9.291 1.00 23.91 H new ATOM 605 N ASN A 39 -6.967 11.528 12.361 1.00 27.64 N ATOM 606 CA ASN A 39 -7.332 11.125 13.745 1.00 30.27 C ATOM 607 C ASN A 39 -6.955 12.250 14.711 1.00 26.79 C ATOM 608 O ASN A 39 -5.795 12.568 14.887 1.00 26.87 O ATOM 609 CB ASN A 39 -6.597 9.836 14.144 1.00 35.62 C ATOM 610 CG ASN A 39 -5.413 9.582 13.206 1.00 41.31 C ATOM 611 OD1 ASN A 39 -4.798 10.508 12.718 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.067 8.354 12.934 1.00 39.63 N ATOM 0 H ASN A 39 -6.341 12.331 12.297 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.405 10.940 13.789 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.244 9.915 15.172 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.285 8.992 14.108 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.280 8.172 12.311 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.584 7.576 13.344 1.00 39.63 H new ATOM 619 N GLU A 40 -7.933 12.856 15.328 1.00 25.15 N ATOM 620 CA GLU A 40 -7.663 13.970 16.281 1.00 23.81 C ATOM 621 C GLU A 40 -6.418 13.660 17.104 1.00 21.12 C ATOM 622 O GLU A 40 -5.398 14.310 16.982 1.00 19.86 O ATOM 623 CB GLU A 40 -8.866 14.148 17.212 1.00 27.22 C ATOM 624 CG GLU A 40 -10.051 14.695 16.413 1.00 34.87 C ATOM 625 CD GLU A 40 -11.305 14.692 17.290 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.507 15.661 18.003 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.041 13.721 17.232 1.00 42.34 O ATOM 0 H GLU A 40 -8.919 12.624 15.211 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.498 14.890 15.720 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.130 13.194 17.669 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.614 14.831 18.023 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.836 15.707 16.071 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.215 14.087 15.524 1.00 34.87 H new ATOM 634 N HIS A 41 -6.491 12.665 17.928 1.00 4.46 N ATOM 635 CA HIS A 41 -5.307 12.294 18.756 1.00 3.99 C ATOM 636 C HIS A 41 -4.186 11.852 17.816 1.00 3.03 C ATOM 637 O HIS A 41 -4.451 11.398 16.720 1.00 2.21 O ATOM 638 CB HIS A 41 -5.673 11.145 19.699 1.00 4.26 C ATOM 639 CG HIS A 41 -7.019 11.406 20.318 1.00 3.84 C ATOM 640 ND1 HIS A 41 -7.596 12.667 20.333 1.00 4.15 N ATOM 641 CD2 HIS A 41 -7.913 10.578 20.952 1.00 4.83 C ATOM 642 CE1 HIS A 41 -8.785 12.561 20.955 1.00 5.54 C ATOM 643 NE2 HIS A 41 -9.027 11.309 21.353 1.00 6.37 N ATOM 0 H HIS A 41 -7.319 12.086 18.070 1.00 4.46 H new ATOM 0 HA HIS A 41 -4.984 13.147 19.353 1.00 3.99 H new ATOM 0 HB2 HIS A 41 -5.691 10.203 19.150 1.00 4.26 H new ATOM 0 HB3 HIS A 41 -4.917 11.046 20.478 1.00 4.26 H new ATOM 0 HD2 HIS A 41 -7.773 9.520 21.115 1.00 4.83 H new ATOM 0 HE1 HIS A 41 -9.461 13.388 21.113 1.00 5.54 H new ATOM 0 HE2 HIS A 41 -9.851 10.963 21.845 1.00 6.37 H new ATOM 651 N PRO A 42 -2.965 12.004 18.255 1.00 15.11 N ATOM 652 CA PRO A 42 -1.797 11.632 17.445 1.00 16.08 C ATOM 653 C PRO A 42 -1.586 10.122 17.484 1.00 17.92 C ATOM 654 O PRO A 42 -1.702 9.492 18.517 1.00 17.13 O ATOM 655 CB PRO A 42 -0.638 12.349 18.130 1.00 16.41 C ATOM 656 CG PRO A 42 -1.081 12.592 19.587 1.00 13.79 C ATOM 657 CD PRO A 42 -2.627 12.553 19.585 1.00 16.28 C ATOM 0 HA PRO A 42 -1.903 11.905 16.395 1.00 16.08 H new ATOM 0 HB2 PRO A 42 0.269 11.745 18.095 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.413 13.291 17.630 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -0.674 11.828 20.249 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -0.717 13.554 19.948 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.012 11.923 20.387 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.052 13.546 19.727 1.00 16.28 H new ATOM 665 N VAL A 43 -1.268 9.540 16.369 1.00 16.29 N ATOM 666 CA VAL A 43 -1.038 8.074 16.336 1.00 14.28 C ATOM 667 C VAL A 43 0.448 7.806 16.126 1.00 9.00 C ATOM 668 O VAL A 43 1.016 8.163 15.114 1.00 7.99 O ATOM 669 CB VAL A 43 -1.837 7.455 15.192 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.282 7.955 15.247 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.208 7.853 13.854 1.00 20.57 C ATOM 0 H VAL A 43 -1.157 10.017 15.474 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.361 7.631 17.278 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.826 6.369 15.289 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.852 7.512 14.430 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.730 7.669 16.198 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.295 9.041 15.152 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.779 7.411 13.038 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.217 8.939 13.756 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.180 7.493 13.814 1.00 20.57 H new ATOM 681 N LEU A 44 1.086 7.185 17.076 1.00 10.19 N ATOM 682 CA LEU A 44 2.536 6.909 16.931 1.00 11.55 C ATOM 683 C LEU A 44 2.756 5.814 15.890 1.00 10.61 C ATOM 684 O LEU A 44 2.477 4.654 16.119 1.00 13.49 O ATOM 685 CB LEU A 44 3.112 6.460 18.269 1.00 10.60 C ATOM 686 CG LEU A 44 4.593 6.144 18.092 1.00 13.48 C ATOM 687 CD1 LEU A 44 5.318 7.387 17.569 1.00 15.65 C ATOM 688 CD2 LEU A 44 5.192 5.731 19.439 1.00 20.21 C ATOM 0 H LEU A 44 0.665 6.858 17.945 1.00 10.19 H new ATOM 0 HA LEU A 44 3.039 7.820 16.607 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.981 7.242 19.017 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.580 5.580 18.631 1.00 10.60 H new ATOM 0 HG LEU A 44 4.709 5.328 17.379 1.00 13.48 H new ATOM 0 HD11 LEU A 44 6.377 7.164 17.442 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.891 7.681 16.610 1.00 15.65 H new ATOM 0 HD13 LEU A 44 5.202 8.203 18.283 1.00 15.65 H new ATOM 0 HD21 LEU A 44 6.251 5.505 19.312 1.00 20.21 H new ATOM 0 HD22 LEU A 44 5.078 6.546 20.153 1.00 20.21 H new ATOM 0 HD23 LEU A 44 4.674 4.847 19.812 1.00 20.21 H new ATOM 700 N VAL A 45 3.264 6.179 14.749 1.00 10.81 N ATOM 701 CA VAL A 45 3.519 5.174 13.686 1.00 9.29 C ATOM 702 C VAL A 45 5.013 4.870 13.638 1.00 9.95 C ATOM 703 O VAL A 45 5.803 5.479 14.331 1.00 9.36 O ATOM 704 CB VAL A 45 3.052 5.730 12.335 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.806 6.592 12.545 1.00 7.95 C ATOM 706 CG2 VAL A 45 4.157 6.588 11.695 1.00 10.20 C ATOM 0 H VAL A 45 3.515 7.137 14.506 1.00 10.81 H new ATOM 0 HA VAL A 45 2.970 4.257 13.900 1.00 9.29 H new ATOM 0 HB VAL A 45 2.823 4.895 11.673 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.472 6.988 11.586 1.00 7.95 H new ATOM 0 HG12 VAL A 45 1.013 5.985 12.983 1.00 7.95 H new ATOM 0 HG13 VAL A 45 2.044 7.417 13.216 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.809 6.974 10.737 1.00 10.20 H new ATOM 0 HG22 VAL A 45 4.400 7.420 12.356 1.00 10.20 H new ATOM 0 HG23 VAL A 45 5.047 5.978 11.538 1.00 10.20 H new ATOM 716 N LYS A 46 5.407 3.943 12.819 1.00 10.76 N ATOM 717 CA LYS A 46 6.852 3.619 12.730 1.00 12.81 C ATOM 718 C LYS A 46 7.420 4.191 11.431 1.00 13.35 C ATOM 719 O LYS A 46 6.920 3.931 10.354 1.00 12.90 O ATOM 720 CB LYS A 46 7.046 2.102 12.760 1.00 17.04 C ATOM 721 CG LYS A 46 6.874 1.595 14.193 1.00 26.60 C ATOM 722 CD LYS A 46 8.190 1.760 14.955 1.00 33.77 C ATOM 723 CE LYS A 46 8.784 0.382 15.250 1.00 34.48 C ATOM 724 NZ LYS A 46 7.738 -0.490 15.855 1.00 36.74 N ATOM 0 H LYS A 46 4.796 3.398 12.211 1.00 10.76 H new ATOM 0 HA LYS A 46 7.376 4.059 13.579 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.323 1.619 12.103 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.037 1.844 12.388 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.080 2.150 14.693 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.575 0.547 14.186 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.891 2.352 14.367 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.018 2.301 15.886 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.161 -0.068 14.331 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.631 0.477 15.929 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.159 -1.060 16.617 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 6.976 0.101 16.245 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 7.348 -1.121 15.126 1.00 36.74 H new ATOM 738 N ILE A 47 8.459 4.975 11.524 1.00 13.96 N ATOM 739 CA ILE A 47 9.055 5.569 10.302 1.00 16.93 C ATOM 740 C ILE A 47 10.519 5.138 10.183 1.00 16.52 C ATOM 741 O ILE A 47 11.277 5.214 11.129 1.00 17.67 O ATOM 742 CB ILE A 47 8.962 7.098 10.385 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.075 7.694 8.984 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.089 7.653 11.256 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.914 8.654 8.754 1.00 18.26 C ATOM 0 H ILE A 47 8.920 5.228 12.398 1.00 13.96 H new ATOM 0 HA ILE A 47 8.512 5.223 9.423 1.00 16.93 H new ATOM 0 HB ILE A 47 8.002 7.366 10.827 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.024 8.219 8.874 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.061 6.901 8.236 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.010 8.739 11.305 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.011 7.237 12.261 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.051 7.379 10.824 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.989 9.083 7.755 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.972 8.114 8.847 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.950 9.452 9.495 1.00 18.26 H new ATOM 757 N THR A 48 10.923 4.691 9.027 1.00 16.86 N ATOM 758 CA THR A 48 12.336 4.261 8.851 1.00 16.59 C ATOM 759 C THR A 48 13.255 5.479 8.977 1.00 19.04 C ATOM 760 O THR A 48 12.842 6.604 8.774 1.00 22.56 O ATOM 761 CB THR A 48 12.505 3.631 7.468 1.00 16.30 C ATOM 762 OG1 THR A 48 11.715 2.452 7.388 1.00 17.90 O ATOM 763 CG2 THR A 48 13.974 3.281 7.237 1.00 16.02 C ATOM 0 H THR A 48 10.336 4.605 8.198 1.00 16.86 H new ATOM 0 HA THR A 48 12.596 3.530 9.616 1.00 16.59 H new ATOM 0 HB THR A 48 12.182 4.339 6.705 1.00 16.30 H new ATOM 0 HG1 THR A 48 12.211 1.758 6.906 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.090 2.832 6.250 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.578 4.187 7.297 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.304 2.574 7.998 1.00 16.02 H new ATOM 771 N LEU A 49 14.496 5.263 9.313 1.00 18.35 N ATOM 772 CA LEU A 49 15.442 6.399 9.458 1.00 18.82 C ATOM 773 C LEU A 49 16.712 6.087 8.660 1.00 20.06 C ATOM 774 O LEU A 49 17.464 5.196 8.998 1.00 18.35 O ATOM 775 CB LEU A 49 15.776 6.578 10.946 1.00 18.79 C ATOM 776 CG LEU A 49 16.577 7.863 11.179 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.064 7.585 10.951 1.00 20.41 C ATOM 778 CD2 LEU A 49 16.112 8.970 10.225 1.00 14.50 C ATOM 0 H LEU A 49 14.896 4.342 9.494 1.00 18.35 H new ATOM 0 HA LEU A 49 14.999 7.320 9.079 1.00 18.82 H new ATOM 0 HB2 LEU A 49 14.855 6.609 11.528 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.348 5.720 11.300 1.00 18.79 H new ATOM 0 HG LEU A 49 16.415 8.195 12.205 1.00 18.24 H new ATOM 0 HD11 LEU A 49 18.635 8.499 11.117 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.401 6.816 11.646 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.217 7.242 9.928 1.00 20.41 H new ATOM 0 HD21 LEU A 49 16.693 9.874 10.406 1.00 14.50 H new ATOM 0 HD22 LEU A 49 16.256 8.646 9.194 1.00 14.50 H new ATOM 0 HD23 LEU A 49 15.056 9.177 10.396 1.00 14.50 H new ATOM 790 N ASP A 50 16.946 6.802 7.593 1.00 22.62 N ATOM 791 CA ASP A 50 18.157 6.536 6.762 1.00 27.04 C ATOM 792 C ASP A 50 19.367 6.292 7.666 1.00 27.73 C ATOM 793 O ASP A 50 19.728 7.122 8.475 1.00 26.65 O ATOM 794 CB ASP A 50 18.429 7.739 5.857 1.00 29.11 C ATOM 795 CG ASP A 50 18.433 7.286 4.395 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.697 6.366 4.079 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.172 7.867 3.617 1.00 33.99 O ATOM 0 H ASP A 50 16.350 7.560 7.260 1.00 22.62 H new ATOM 0 HA ASP A 50 17.984 5.650 6.150 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.667 8.503 6.010 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.388 8.190 6.112 1.00 29.11 H new ATOM 802 N GLU A 51 19.998 5.158 7.529 1.00 31.16 N ATOM 803 CA GLU A 51 21.185 4.858 8.374 1.00 34.22 C ATOM 804 C GLU A 51 22.168 6.027 8.297 1.00 34.98 C ATOM 805 O GLU A 51 22.897 6.176 7.337 1.00 34.19 O ATOM 806 CB GLU A 51 21.862 3.585 7.863 1.00 38.24 C ATOM 807 CG GLU A 51 23.191 3.387 8.591 1.00 46.84 C ATOM 808 CD GLU A 51 23.659 1.941 8.418 1.00 51.38 C ATOM 809 OE1 GLU A 51 22.911 1.160 7.852 1.00 54.92 O ATOM 810 OE2 GLU A 51 24.758 1.639 8.853 1.00 53.83 O ATOM 0 H GLU A 51 19.741 4.426 6.867 1.00 31.16 H new ATOM 0 HA GLU A 51 20.873 4.713 9.408 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.213 2.724 8.027 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.031 3.656 6.789 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.940 4.072 8.195 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.075 3.619 9.650 1.00 46.84 H new ATOM 817 N GLY A 52 22.190 6.860 9.300 1.00 34.53 N ATOM 818 CA GLY A 52 23.121 8.022 9.284 1.00 34.93 C ATOM 819 C GLY A 52 22.310 9.318 9.277 1.00 36.10 C ATOM 820 O GLY A 52 22.781 10.360 9.690 1.00 35.97 O ATOM 0 H GLY A 52 21.603 6.786 10.131 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.773 7.992 10.157 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.763 7.976 8.404 1.00 34.93 H new ATOM 824 N GLN A 53 21.092 9.262 8.812 1.00 36.52 N ATOM 825 CA GLN A 53 20.248 10.488 8.781 1.00 35.40 C ATOM 826 C GLN A 53 19.795 10.828 10.203 1.00 31.02 C ATOM 827 O GLN A 53 19.770 9.972 11.062 1.00 29.05 O ATOM 828 CB GLN A 53 19.020 10.238 7.902 1.00 41.20 C ATOM 829 CG GLN A 53 19.106 11.111 6.648 1.00 47.61 C ATOM 830 CD GLN A 53 17.778 11.053 5.891 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.747 10.741 4.717 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.671 11.344 6.517 1.00 54.76 N ATOM 0 H GLN A 53 20.645 8.419 8.452 1.00 36.52 H new ATOM 0 HA GLN A 53 20.825 11.318 8.373 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.967 9.186 7.623 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.110 10.467 8.456 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.334 12.140 6.924 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.917 10.766 6.007 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.696 11.606 7.502 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.780 11.309 6.021 1.00 54.76 H new ATOM 841 N PRO A 54 19.445 12.070 10.406 1.00 27.43 N ATOM 842 CA PRO A 54 18.977 12.556 11.712 1.00 23.44 C ATOM 843 C PRO A 54 17.515 12.159 11.929 1.00 20.14 C ATOM 844 O PRO A 54 16.634 12.613 11.226 1.00 21.64 O ATOM 845 CB PRO A 54 19.122 14.073 11.606 1.00 24.39 C ATOM 846 CG PRO A 54 19.117 14.403 10.098 1.00 27.18 C ATOM 847 CD PRO A 54 19.487 13.105 9.356 1.00 28.37 C ATOM 0 HA PRO A 54 19.535 12.141 12.552 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.303 14.579 12.118 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.047 14.409 12.075 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.137 14.761 9.784 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.833 15.194 9.873 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.781 12.889 8.554 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.475 13.173 8.902 1.00 28.37 H new ATOM 855 N ALA A 55 17.253 11.311 12.891 1.00 17.21 N ATOM 856 CA ALA A 55 15.850 10.879 13.154 1.00 15.58 C ATOM 857 C ALA A 55 14.899 12.066 12.983 1.00 16.41 C ATOM 858 O ALA A 55 15.216 13.183 13.340 1.00 13.65 O ATOM 859 CB ALA A 55 15.751 10.350 14.585 1.00 13.98 C ATOM 0 H ALA A 55 17.954 10.899 13.507 1.00 17.21 H new ATOM 0 HA ALA A 55 15.573 10.096 12.448 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.728 10.032 14.785 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.425 9.502 14.707 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.029 11.138 15.284 1.00 13.98 H new ATOM 865 N TYR A 56 13.736 11.831 12.433 1.00 15.93 N ATOM 866 CA TYR A 56 12.763 12.943 12.233 1.00 14.61 C ATOM 867 C TYR A 56 12.752 13.837 13.472 1.00 15.51 C ATOM 868 O TYR A 56 12.155 13.515 14.477 1.00 17.19 O ATOM 869 CB TYR A 56 11.360 12.371 12.001 1.00 12.92 C ATOM 870 CG TYR A 56 11.352 11.564 10.722 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.791 10.234 10.737 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.919 12.143 9.523 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.796 9.485 9.558 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.925 11.392 8.342 1.00 7.90 C ATOM 875 CZ TYR A 56 11.362 10.063 8.359 1.00 10.29 C ATOM 876 OH TYR A 56 11.368 9.323 7.195 1.00 12.03 O ATOM 0 H TYR A 56 13.419 10.916 12.114 1.00 15.93 H new ATOM 0 HA TYR A 56 13.059 13.528 11.363 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.068 11.743 12.842 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.631 13.179 11.939 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.126 9.787 11.661 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.581 13.169 9.509 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.135 8.460 9.571 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.592 11.839 7.417 1.00 7.90 H new ATOM 0 HH TYR A 56 11.035 9.874 6.456 1.00 12.03 H new ATOM 886 N ALA A 57 13.410 14.961 13.409 1.00 13.38 N ATOM 887 CA ALA A 57 13.432 15.874 14.584 1.00 14.95 C ATOM 888 C ALA A 57 11.997 16.111 15.065 1.00 15.46 C ATOM 889 O ALA A 57 11.053 15.746 14.394 1.00 17.82 O ATOM 890 CB ALA A 57 14.064 17.208 14.183 1.00 14.98 C ATOM 0 H ALA A 57 13.933 15.286 12.596 1.00 13.38 H new ATOM 0 HA ALA A 57 14.017 15.425 15.386 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.080 17.876 15.044 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.083 17.038 13.837 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.480 17.661 13.382 1.00 14.98 H new ATOM 896 N PRO A 58 11.879 16.717 16.217 1.00 15.20 N ATOM 897 CA PRO A 58 10.571 17.022 16.824 1.00 16.55 C ATOM 898 C PRO A 58 9.936 18.238 16.144 1.00 16.75 C ATOM 899 O PRO A 58 10.506 19.311 16.110 1.00 17.28 O ATOM 900 CB PRO A 58 10.916 17.327 18.284 1.00 15.65 C ATOM 901 CG PRO A 58 12.409 17.732 18.304 1.00 14.16 C ATOM 902 CD PRO A 58 13.037 17.156 17.022 1.00 13.96 C ATOM 0 HA PRO A 58 9.851 16.210 16.723 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.290 18.131 18.671 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.741 16.455 18.915 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.516 18.816 18.335 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.906 17.337 19.190 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.627 17.906 16.495 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.705 16.324 17.245 1.00 13.96 H new ATOM 910 N GLY A 59 8.760 18.079 15.601 1.00 17.22 N ATOM 911 CA GLY A 59 8.091 19.225 14.923 1.00 15.08 C ATOM 912 C GLY A 59 6.890 18.716 14.124 1.00 14.96 C ATOM 913 O GLY A 59 6.608 17.536 14.098 1.00 13.79 O ATOM 0 H GLY A 59 8.234 17.205 15.598 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.766 19.958 15.661 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.794 19.730 14.261 1.00 15.08 H new ATOM 917 N LEU A 60 6.184 19.595 13.465 1.00 15.83 N ATOM 918 CA LEU A 60 5.012 19.157 12.656 1.00 14.53 C ATOM 919 C LEU A 60 5.526 18.447 11.406 1.00 14.15 C ATOM 920 O LEU A 60 6.484 18.882 10.799 1.00 13.27 O ATOM 921 CB LEU A 60 4.198 20.384 12.240 1.00 15.84 C ATOM 922 CG LEU A 60 2.723 20.156 12.564 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.985 21.496 12.554 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.109 19.225 11.515 1.00 15.01 C ATOM 0 H LEU A 60 6.369 20.598 13.452 1.00 15.83 H new ATOM 0 HA LEU A 60 4.382 18.485 13.239 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.563 21.269 12.762 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.322 20.570 11.173 1.00 15.84 H new ATOM 0 HG LEU A 60 2.633 19.701 13.550 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.932 21.333 12.785 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.423 22.158 13.301 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.074 21.953 11.568 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.056 19.062 11.745 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.198 19.679 10.528 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.635 18.270 11.524 1.00 15.01 H new ATOM 936 N TYR A 61 4.922 17.361 11.005 1.00 11.12 N ATOM 937 CA TYR A 61 5.431 16.670 9.794 1.00 9.57 C ATOM 938 C TYR A 61 4.345 16.481 8.759 1.00 11.76 C ATOM 939 O TYR A 61 3.166 16.549 9.030 1.00 11.26 O ATOM 940 CB TYR A 61 6.014 15.313 10.162 1.00 9.42 C ATOM 941 CG TYR A 61 7.441 15.525 10.565 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.735 16.032 11.831 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.469 15.242 9.659 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.061 16.256 12.199 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.795 15.467 10.025 1.00 13.99 C ATOM 946 CZ TYR A 61 10.089 15.974 11.294 1.00 11.06 C ATOM 947 OH TYR A 61 11.401 16.185 11.660 1.00 14.61 O ATOM 0 H TYR A 61 4.114 16.932 11.456 1.00 11.12 H new ATOM 0 HA TYR A 61 6.209 17.302 9.366 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.449 14.862 10.978 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.953 14.628 9.316 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.937 16.251 12.525 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.236 14.851 8.680 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.293 16.646 13.179 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.593 15.250 9.330 1.00 13.99 H new ATOM 0 HH TYR A 61 11.460 16.266 12.635 1.00 14.61 H new ATOM 957 N THR A 62 4.770 16.228 7.567 1.00 12.22 N ATOM 958 CA THR A 62 3.837 15.999 6.455 1.00 14.26 C ATOM 959 C THR A 62 4.475 14.953 5.567 1.00 15.40 C ATOM 960 O THR A 62 5.573 15.130 5.078 1.00 16.24 O ATOM 961 CB THR A 62 3.627 17.286 5.672 1.00 15.07 C ATOM 962 OG1 THR A 62 4.860 17.700 5.101 1.00 18.36 O ATOM 963 CG2 THR A 62 3.106 18.369 6.614 1.00 11.61 C ATOM 0 H THR A 62 5.756 16.169 7.312 1.00 12.22 H new ATOM 0 HA THR A 62 2.864 15.670 6.820 1.00 14.26 H new ATOM 0 HB THR A 62 2.902 17.117 4.876 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.288 16.937 4.659 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.954 19.293 6.057 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.160 18.048 7.049 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.832 18.540 7.409 1.00 11.61 H new ATOM 971 N VAL A 63 3.828 13.856 5.375 1.00 14.65 N ATOM 972 CA VAL A 63 4.447 12.808 4.540 1.00 15.17 C ATOM 973 C VAL A 63 4.821 13.402 3.190 1.00 14.24 C ATOM 974 O VAL A 63 4.399 14.484 2.833 1.00 19.13 O ATOM 975 CB VAL A 63 3.493 11.639 4.362 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.305 10.397 4.016 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.724 11.401 5.666 1.00 18.64 C ATOM 0 H VAL A 63 2.907 13.637 5.754 1.00 14.65 H new ATOM 0 HA VAL A 63 5.346 12.437 5.032 1.00 15.17 H new ATOM 0 HB VAL A 63 2.783 11.856 3.564 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.634 9.548 3.885 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.857 10.569 3.092 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.006 10.184 4.823 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.040 10.562 5.537 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.428 11.176 6.467 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.157 12.296 5.922 1.00 18.64 H new ATOM 987 N HIS A 64 5.622 12.708 2.445 1.00 13.31 N ATOM 988 CA HIS A 64 6.045 13.232 1.121 1.00 10.78 C ATOM 989 C HIS A 64 5.771 12.171 0.054 1.00 14.19 C ATOM 990 O HIS A 64 6.192 11.033 0.178 1.00 11.59 O ATOM 991 CB HIS A 64 7.541 13.553 1.161 1.00 11.86 C ATOM 992 CG HIS A 64 7.860 14.621 0.150 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.225 14.688 -1.080 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.765 15.654 0.161 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.755 15.720 -1.756 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.698 16.347 -1.046 1.00 20.65 N ATOM 0 H HIS A 64 6.005 11.796 2.694 1.00 13.31 H new ATOM 0 HA HIS A 64 5.489 14.139 0.883 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.824 13.888 2.159 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.121 12.655 0.950 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.427 15.893 0.980 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.456 16.009 -2.753 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.250 17.158 -1.327 1.00 20.65 H new ATOM 1004 N LEU A 65 5.070 12.532 -0.990 1.00 12.93 N ATOM 1005 CA LEU A 65 4.767 11.547 -2.063 1.00 14.44 C ATOM 1006 C LEU A 65 6.052 11.194 -2.822 1.00 12.66 C ATOM 1007 O LEU A 65 6.051 10.354 -3.698 1.00 10.20 O ATOM 1008 CB LEU A 65 3.714 12.136 -3.018 1.00 14.94 C ATOM 1009 CG LEU A 65 4.388 12.910 -4.140 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.394 12.058 -5.408 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.635 14.213 -4.397 1.00 19.03 C ATOM 0 H LEU A 65 4.695 13.468 -1.143 1.00 12.93 H new ATOM 0 HA LEU A 65 4.367 10.634 -1.621 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.104 11.335 -3.436 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.042 12.794 -2.467 1.00 14.94 H new ATOM 0 HG LEU A 65 5.413 13.144 -3.854 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.877 12.610 -6.215 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.941 11.134 -5.223 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.369 11.822 -5.693 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.123 14.763 -5.202 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.607 13.989 -4.682 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.637 14.819 -3.491 1.00 19.03 H new ATOM 1023 N SER A 66 7.155 11.814 -2.483 1.00 13.51 N ATOM 1024 CA SER A 66 8.421 11.485 -3.182 1.00 10.39 C ATOM 1025 C SER A 66 8.633 9.977 -3.077 1.00 8.56 C ATOM 1026 O SER A 66 9.378 9.381 -3.830 1.00 11.70 O ATOM 1027 CB SER A 66 9.585 12.214 -2.510 1.00 12.88 C ATOM 1028 OG SER A 66 10.810 11.618 -2.917 1.00 14.72 O ATOM 0 H SER A 66 7.227 12.527 -1.757 1.00 13.51 H new ATOM 0 HA SER A 66 8.371 11.793 -4.226 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.573 13.270 -2.781 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.484 12.162 -1.426 1.00 12.88 H new ATOM 0 HG SER A 66 11.559 12.084 -2.489 1.00 14.72 H new ATOM 1034 N SER A 67 7.974 9.361 -2.131 1.00 7.98 N ATOM 1035 CA SER A 67 8.117 7.895 -1.942 1.00 8.20 C ATOM 1036 C SER A 67 7.002 7.154 -2.689 1.00 11.02 C ATOM 1037 O SER A 67 7.014 5.943 -2.788 1.00 11.45 O ATOM 1038 CB SER A 67 8.029 7.567 -0.452 1.00 8.01 C ATOM 1039 OG SER A 67 8.797 8.511 0.281 1.00 11.22 O ATOM 0 H SER A 67 7.338 9.819 -1.478 1.00 7.98 H new ATOM 0 HA SER A 67 9.082 7.578 -2.337 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.990 7.592 -0.123 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.398 6.558 -0.267 1.00 8.01 H new ATOM 0 HG SER A 67 9.356 8.041 0.935 1.00 11.22 H new ATOM 1045 N PHE A 68 6.029 7.860 -3.204 1.00 10.09 N ATOM 1046 CA PHE A 68 4.920 7.169 -3.923 1.00 11.79 C ATOM 1047 C PHE A 68 5.322 6.939 -5.376 1.00 12.69 C ATOM 1048 O PHE A 68 6.164 7.627 -5.919 1.00 14.25 O ATOM 1049 CB PHE A 68 3.644 8.019 -3.891 1.00 10.08 C ATOM 1050 CG PHE A 68 3.382 8.550 -2.500 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.125 8.101 -1.396 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.403 9.535 -2.325 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.883 8.640 -0.128 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.168 10.075 -1.059 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.908 9.630 0.037 1.00 11.87 C ATOM 0 H PHE A 68 5.955 8.876 -3.158 1.00 10.09 H new ATOM 0 HA PHE A 68 4.728 6.217 -3.429 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.739 8.850 -4.590 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.795 7.420 -4.221 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.882 7.341 -1.526 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.828 9.878 -3.172 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.449 8.292 0.724 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.414 10.837 -0.928 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.728 10.051 1.015 1.00 11.87 H new ATOM 1065 N LYS A 69 4.717 5.979 -6.008 1.00 12.51 N ATOM 1066 CA LYS A 69 5.043 5.695 -7.431 1.00 15.38 C ATOM 1067 C LYS A 69 3.795 5.166 -8.132 1.00 15.02 C ATOM 1068 O LYS A 69 2.762 4.972 -7.522 1.00 15.36 O ATOM 1069 CB LYS A 69 6.153 4.645 -7.508 1.00 16.04 C ATOM 1070 CG LYS A 69 7.518 5.337 -7.471 1.00 20.35 C ATOM 1071 CD LYS A 69 8.317 4.831 -6.268 1.00 21.35 C ATOM 1072 CE LYS A 69 8.813 3.410 -6.543 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.278 3.437 -6.811 1.00 32.70 N ATOM 0 H LYS A 69 4.005 5.374 -5.599 1.00 12.51 H new ATOM 0 HA LYS A 69 5.381 6.610 -7.917 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.065 3.947 -6.676 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.054 4.063 -8.424 1.00 16.04 H new ATOM 0 HG2 LYS A 69 8.064 5.137 -8.393 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.388 6.417 -7.406 1.00 20.35 H new ATOM 0 HD2 LYS A 69 9.163 5.492 -6.076 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.694 4.843 -5.374 1.00 21.35 H new ATOM 0 HE2 LYS A 69 8.601 2.768 -5.688 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.284 2.988 -7.398 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.615 2.471 -6.998 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.468 4.036 -7.639 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.775 3.823 -5.983 1.00 32.70 H new ATOM 1087 N VAL A 70 3.881 4.929 -9.408 1.00 13.65 N ATOM 1088 CA VAL A 70 2.699 4.409 -10.148 1.00 13.49 C ATOM 1089 C VAL A 70 3.093 3.149 -10.916 1.00 11.85 C ATOM 1090 O VAL A 70 3.944 3.176 -11.783 1.00 12.13 O ATOM 1091 CB VAL A 70 2.196 5.463 -11.127 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.703 5.249 -11.386 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.419 6.859 -10.538 1.00 15.63 C ATOM 0 H VAL A 70 4.719 5.073 -9.972 1.00 13.65 H new ATOM 0 HA VAL A 70 1.907 4.172 -9.437 1.00 13.49 H new ATOM 0 HB VAL A 70 2.743 5.375 -12.066 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.343 6.003 -12.086 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.546 4.257 -11.809 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.155 5.335 -10.448 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.059 7.612 -11.239 1.00 15.63 H new ATOM 0 HG22 VAL A 70 1.874 6.949 -9.598 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.483 7.012 -10.357 1.00 15.63 H new ATOM 1103 N GLY A 71 2.479 2.043 -10.604 1.00 11.15 N ATOM 1104 CA GLY A 71 2.815 0.777 -11.314 1.00 11.07 C ATOM 1105 C GLY A 71 2.051 0.721 -12.638 1.00 12.15 C ATOM 1106 O GLY A 71 2.444 1.323 -13.617 1.00 12.70 O ATOM 0 H GLY A 71 1.758 1.960 -9.887 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.888 0.724 -11.498 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.555 -0.081 -10.694 1.00 11.07 H new ATOM 1110 N GLN A 72 0.960 0.006 -12.675 1.00 15.78 N ATOM 1111 CA GLN A 72 0.172 -0.081 -13.935 1.00 19.42 C ATOM 1112 C GLN A 72 -0.906 -1.153 -13.791 1.00 16.97 C ATOM 1113 O GLN A 72 -0.698 -2.302 -14.120 1.00 20.46 O ATOM 1114 CB GLN A 72 1.100 -0.434 -15.098 1.00 22.64 C ATOM 1115 CG GLN A 72 1.380 0.821 -15.926 1.00 25.29 C ATOM 1116 CD GLN A 72 0.551 0.782 -17.211 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.094 0.761 -18.298 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.751 0.771 -17.132 1.00 25.15 N ATOM 0 H GLN A 72 0.581 -0.521 -11.888 1.00 15.78 H new ATOM 0 HA GLN A 72 -0.301 0.881 -14.133 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.034 -0.848 -14.719 1.00 22.64 H new ATOM 0 HB3 GLN A 72 0.642 -1.200 -15.723 1.00 22.64 H new ATOM 0 HG2 GLN A 72 1.134 1.712 -15.349 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.441 0.881 -16.167 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -1.207 0.789 -16.220 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.313 0.745 -17.983 1.00 25.15 H new ATOM 1127 N PHE A 73 -2.055 -0.763 -13.303 1.00 14.56 N ATOM 1128 CA PHE A 73 -3.190 -1.712 -13.114 1.00 14.60 C ATOM 1129 C PHE A 73 -4.059 -1.216 -11.959 1.00 15.63 C ATOM 1130 O PHE A 73 -5.263 -1.384 -11.956 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.667 -3.109 -12.787 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.659 -3.938 -14.046 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -3.760 -3.906 -14.911 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -1.552 -4.738 -14.351 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -3.753 -4.674 -16.081 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -1.545 -5.507 -15.521 1.00 18.68 C ATOM 1137 CZ PHE A 73 -2.646 -5.475 -16.386 1.00 17.88 C ATOM 0 H PHE A 73 -2.257 0.196 -13.021 1.00 14.56 H new ATOM 0 HA PHE A 73 -3.773 -1.762 -14.034 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.661 -3.047 -12.371 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.296 -3.579 -12.031 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.614 -3.289 -14.675 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -0.703 -4.762 -13.684 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -4.602 -4.649 -16.749 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -0.691 -6.125 -15.756 1.00 18.68 H new ATOM 0 HZ PHE A 73 -2.641 -6.068 -17.288 1.00 17.88 H new ATOM 1147 N GLY A 74 -3.457 -0.601 -10.978 1.00 13.82 N ATOM 1148 CA GLY A 74 -4.243 -0.089 -9.823 1.00 13.44 C ATOM 1149 C GLY A 74 -4.172 1.439 -9.796 1.00 10.42 C ATOM 1150 O GLY A 74 -5.009 2.120 -10.356 1.00 13.62 O ATOM 0 H GLY A 74 -2.452 -0.431 -10.928 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -5.280 -0.414 -9.902 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.851 -0.499 -8.892 1.00 13.44 H new ATOM 1154 N SER A 75 -3.177 1.984 -9.150 1.00 12.64 N ATOM 1155 CA SER A 75 -3.054 3.467 -9.088 1.00 12.47 C ATOM 1156 C SER A 75 -1.843 3.848 -8.236 1.00 12.47 C ATOM 1157 O SER A 75 -1.195 3.006 -7.646 1.00 11.32 O ATOM 1158 CB SER A 75 -4.320 4.058 -8.468 1.00 11.21 C ATOM 1159 OG SER A 75 -4.695 5.225 -9.187 1.00 18.27 O ATOM 0 H SER A 75 -2.445 1.466 -8.663 1.00 12.64 H new ATOM 0 HA SER A 75 -2.924 3.861 -10.096 1.00 12.47 H new ATOM 0 HB2 SER A 75 -5.127 3.326 -8.494 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.145 4.303 -7.420 1.00 11.21 H new ATOM 0 HG SER A 75 -5.533 5.058 -9.667 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.534 5.113 -8.169 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.366 5.559 -7.357 1.00 12.18 C ATOM 1167 C LEU A 76 -0.361 4.823 -6.014 1.00 12.07 C ATOM 1168 O LEU A 76 -1.397 4.516 -5.459 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.464 7.068 -7.115 1.00 11.99 C ATOM 1170 CG LEU A 76 0.690 7.526 -6.221 1.00 8.87 C ATOM 1171 CD1 LEU A 76 1.893 7.899 -7.091 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.249 8.746 -5.408 1.00 7.80 C ATOM 0 H LEU A 76 -2.041 5.860 -8.643 1.00 12.43 H new ATOM 0 HA LEU A 76 0.556 5.334 -7.893 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -0.433 7.601 -8.065 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.418 7.309 -6.645 1.00 11.99 H new ATOM 0 HG LEU A 76 0.969 6.719 -5.544 1.00 8.87 H new ATOM 0 HD11 LEU A 76 2.715 8.225 -6.454 1.00 9.28 H new ATOM 0 HD12 LEU A 76 2.206 7.031 -7.671 1.00 9.28 H new ATOM 0 HD13 LEU A 76 1.616 8.707 -7.768 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.070 9.074 -4.770 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.029 9.553 -6.085 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.608 8.480 -4.789 1.00 7.80 H new ATOM 1184 N MET A 77 0.800 4.544 -5.487 1.00 14.08 N ATOM 1185 CA MET A 77 0.880 3.834 -4.180 1.00 14.12 C ATOM 1186 C MET A 77 2.175 4.231 -3.468 1.00 11.37 C ATOM 1187 O MET A 77 3.161 4.565 -4.094 1.00 11.44 O ATOM 1188 CB MET A 77 0.867 2.322 -4.417 1.00 16.48 C ATOM 1189 CG MET A 77 -0.550 1.875 -4.782 1.00 24.75 C ATOM 1190 SD MET A 77 -0.865 0.234 -4.088 1.00 35.11 S ATOM 1191 CE MET A 77 -2.672 0.297 -4.170 1.00 33.86 C ATOM 0 H MET A 77 1.699 4.778 -5.907 1.00 14.08 H new ATOM 0 HA MET A 77 0.025 4.109 -3.562 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.559 2.063 -5.218 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.205 1.800 -3.522 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.278 2.589 -4.398 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.667 1.852 -5.865 1.00 24.75 H new ATOM 0 HE1 MET A 77 -3.086 -0.634 -3.783 1.00 33.86 H new ATOM 0 HE2 MET A 77 -3.035 1.132 -3.571 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.985 0.431 -5.206 1.00 33.86 H new ATOM 1201 N ILE A 78 2.178 4.207 -2.164 1.00 11.78 N ATOM 1202 CA ILE A 78 3.405 4.593 -1.412 1.00 11.62 C ATOM 1203 C ILE A 78 4.431 3.456 -1.449 1.00 11.45 C ATOM 1204 O ILE A 78 4.104 2.301 -1.265 1.00 12.59 O ATOM 1205 CB ILE A 78 3.044 4.869 0.044 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.968 5.957 0.118 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.295 5.321 0.802 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.952 5.601 1.210 1.00 13.67 C ATOM 0 H ILE A 78 1.383 3.936 -1.586 1.00 11.78 H new ATOM 0 HA ILE A 78 3.829 5.484 -1.875 1.00 11.62 H new ATOM 0 HB ILE A 78 2.656 3.958 0.499 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.426 6.922 0.334 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.465 6.051 -0.844 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.038 5.519 1.843 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.051 4.537 0.757 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.688 6.230 0.346 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.187 6.376 1.262 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.485 4.645 0.974 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.461 5.529 2.171 1.00 13.67 H new ATOM 1220 N ASP A 79 5.675 3.785 -1.656 1.00 10.05 N ATOM 1221 CA ASP A 79 6.743 2.743 -1.672 1.00 14.79 C ATOM 1222 C ASP A 79 7.522 2.847 -0.360 1.00 15.20 C ATOM 1223 O ASP A 79 8.084 1.891 0.135 1.00 18.10 O ATOM 1224 CB ASP A 79 7.684 2.987 -2.855 1.00 12.21 C ATOM 1225 CG ASP A 79 8.853 2.002 -2.793 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.809 2.292 -2.092 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.772 0.976 -3.447 1.00 21.87 O ATOM 0 H ASP A 79 6.002 4.738 -1.816 1.00 10.05 H new ATOM 0 HA ASP A 79 6.305 1.750 -1.775 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.143 2.866 -3.794 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.057 4.011 -2.831 1.00 12.21 H new ATOM 1232 N ARG A 80 7.527 4.020 0.204 1.00 17.08 N ATOM 1233 CA ARG A 80 8.224 4.268 1.494 1.00 17.14 C ATOM 1234 C ARG A 80 8.036 5.742 1.826 1.00 14.98 C ATOM 1235 O ARG A 80 8.947 6.541 1.747 1.00 16.47 O ATOM 1236 CB ARG A 80 9.713 3.934 1.376 1.00 17.78 C ATOM 1237 CG ARG A 80 10.231 3.430 2.726 1.00 22.76 C ATOM 1238 CD ARG A 80 11.148 4.483 3.349 1.00 28.43 C ATOM 1239 NE ARG A 80 12.566 4.008 3.293 1.00 33.10 N ATOM 1240 CZ ARG A 80 12.897 2.810 3.704 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.038 2.065 4.350 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.114 2.378 3.518 1.00 35.04 N ATOM 0 H ARG A 80 7.064 4.840 -0.187 1.00 17.08 H new ATOM 0 HA ARG A 80 7.812 3.636 2.281 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.867 3.175 0.609 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.272 4.817 1.067 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.395 3.221 3.393 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.773 2.494 2.592 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.049 5.428 2.815 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.856 4.669 4.383 1.00 28.43 H new ATOM 0 HE ARG A 80 13.288 4.629 2.928 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.099 2.416 4.538 1.00 33.12 H new ATOM 0 HH12 ARG A 80 12.307 1.133 4.665 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.801 2.973 3.055 1.00 35.04 H new ATOM 0 HH22 ARG A 80 14.378 1.446 3.836 1.00 35.04 H new ATOM 1256 N LEU A 81 6.828 6.088 2.156 1.00 11.03 N ATOM 1257 CA LEU A 81 6.464 7.495 2.468 1.00 11.27 C ATOM 1258 C LEU A 81 7.646 8.267 3.071 1.00 15.61 C ATOM 1259 O LEU A 81 8.183 7.907 4.100 1.00 18.56 O ATOM 1260 CB LEU A 81 5.267 7.476 3.421 1.00 13.62 C ATOM 1261 CG LEU A 81 5.737 7.526 4.871 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.518 7.594 5.792 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.542 6.258 5.178 1.00 18.72 C ATOM 0 H LEU A 81 6.051 5.431 2.225 1.00 11.03 H new ATOM 0 HA LEU A 81 6.198 8.016 1.548 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.617 8.326 3.214 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.677 6.575 3.255 1.00 13.62 H new ATOM 0 HG LEU A 81 6.362 8.405 5.031 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.848 7.630 6.830 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.939 8.489 5.564 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.897 6.712 5.639 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.882 6.285 6.213 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.912 5.381 5.026 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.405 6.205 4.514 1.00 18.72 H new ATOM 1275 N ARG A 82 8.042 9.339 2.435 1.00 13.37 N ATOM 1276 CA ARG A 82 9.175 10.151 2.964 1.00 12.72 C ATOM 1277 C ARG A 82 8.614 11.249 3.871 1.00 13.33 C ATOM 1278 O ARG A 82 8.106 12.250 3.409 1.00 13.27 O ATOM 1279 CB ARG A 82 9.938 10.788 1.801 1.00 13.85 C ATOM 1280 CG ARG A 82 11.415 10.396 1.882 1.00 16.22 C ATOM 1281 CD ARG A 82 12.280 11.657 1.909 1.00 16.62 C ATOM 1282 NE ARG A 82 13.688 11.300 1.577 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.544 12.233 1.258 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.172 13.485 1.227 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.776 11.915 0.968 1.00 16.89 N ATOM 0 H ARG A 82 7.628 9.687 1.570 1.00 13.37 H new ATOM 0 HA ARG A 82 9.854 9.513 3.530 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.515 10.459 0.852 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.836 11.873 1.836 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.595 9.800 2.777 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.685 9.776 1.027 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.900 12.387 1.194 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.234 12.122 2.894 1.00 16.62 H new ATOM 0 HE ARG A 82 13.984 10.324 1.599 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.210 13.737 1.453 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.844 14.211 0.977 1.00 20.55 H new ATOM 0 HH21 ARG A 82 16.069 10.938 0.991 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.445 12.643 0.719 1.00 16.89 H new ATOM 1299 N LEU A 83 8.686 11.058 5.158 1.00 13.53 N ATOM 1300 CA LEU A 83 8.137 12.081 6.096 1.00 13.86 C ATOM 1301 C LEU A 83 8.993 13.344 6.085 1.00 13.02 C ATOM 1302 O LEU A 83 10.199 13.302 5.944 1.00 14.40 O ATOM 1303 CB LEU A 83 8.114 11.529 7.520 1.00 9.93 C ATOM 1304 CG LEU A 83 6.690 11.566 8.078 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.737 11.350 9.594 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.061 12.931 7.784 1.00 10.58 C ATOM 0 H LEU A 83 9.101 10.239 5.603 1.00 13.53 H new ATOM 0 HA LEU A 83 7.126 12.323 5.768 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.489 10.505 7.527 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.777 12.116 8.156 1.00 9.93 H new ATOM 0 HG LEU A 83 6.095 10.782 7.610 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.724 11.376 9.997 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.189 10.382 9.810 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.331 12.139 10.056 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.046 12.957 8.182 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.655 13.714 8.254 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.033 13.094 6.707 1.00 10.58 H new ATOM 1318 N VAL A 84 8.360 14.469 6.250 1.00 11.81 N ATOM 1319 CA VAL A 84 9.082 15.758 6.272 1.00 12.86 C ATOM 1320 C VAL A 84 8.319 16.706 7.202 1.00 14.98 C ATOM 1321 O VAL A 84 7.139 16.529 7.410 1.00 13.59 O ATOM 1322 CB VAL A 84 9.102 16.326 4.855 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.769 15.324 3.912 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.666 16.586 4.392 1.00 17.34 C ATOM 0 H VAL A 84 7.350 14.546 6.373 1.00 11.81 H new ATOM 0 HA VAL A 84 10.106 15.633 6.625 1.00 12.86 H new ATOM 0 HB VAL A 84 9.663 17.260 4.845 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.783 15.730 2.901 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.791 15.138 4.243 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.209 14.389 3.920 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.678 16.992 3.380 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.106 15.651 4.402 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.191 17.301 5.064 1.00 17.34 H new ATOM 1334 N PRO A 85 8.996 17.690 7.723 1.00 18.65 N ATOM 1335 CA PRO A 85 8.371 18.680 8.615 1.00 22.41 C ATOM 1336 C PRO A 85 7.299 19.476 7.854 1.00 25.70 C ATOM 1337 O PRO A 85 7.466 19.813 6.699 1.00 22.08 O ATOM 1338 CB PRO A 85 9.542 19.549 9.078 1.00 21.19 C ATOM 1339 CG PRO A 85 10.659 19.330 8.046 1.00 18.95 C ATOM 1340 CD PRO A 85 10.423 17.925 7.464 1.00 20.63 C ATOM 0 HA PRO A 85 7.847 18.241 9.464 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.254 20.599 9.126 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.871 19.262 10.077 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.623 20.088 7.264 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.642 19.400 8.513 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.651 17.887 6.399 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.049 17.177 7.951 1.00 20.63 H new ATOM 1348 N ALA A 86 6.188 19.755 8.488 1.00 31.74 N ATOM 1349 CA ALA A 86 5.090 20.500 7.803 1.00 39.94 C ATOM 1350 C ALA A 86 5.503 21.960 7.608 1.00 46.96 C ATOM 1351 O ALA A 86 5.740 22.680 8.558 1.00 49.29 O ATOM 1352 CB ALA A 86 3.823 20.437 8.662 1.00 39.70 C ATOM 0 H ALA A 86 5.994 19.497 9.456 1.00 31.74 H new ATOM 0 HA ALA A 86 4.896 20.048 6.830 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.019 20.980 8.165 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.528 19.397 8.799 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.020 20.889 9.634 1.00 39.70 H new ATOM 1358 N LYS A 87 5.589 22.403 6.385 1.00 51.78 N ATOM 1359 CA LYS A 87 5.985 23.816 6.130 1.00 55.12 C ATOM 1360 C LYS A 87 4.979 24.755 6.798 1.00 55.82 C ATOM 1361 O LYS A 87 3.794 24.483 6.707 1.00 58.05 O ATOM 1362 CB LYS A 87 6.002 24.075 4.623 1.00 52.96 C ATOM 1363 CG LYS A 87 4.573 24.013 4.079 1.00 55.49 C ATOM 1364 CD LYS A 87 4.611 23.770 2.569 1.00 56.64 C ATOM 1365 CE LYS A 87 3.692 22.598 2.218 1.00 58.91 C ATOM 1366 NZ LYS A 87 2.821 22.976 1.070 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.412 25.731 7.389 1.00 57.66 O ATOM 0 H LYS A 87 5.402 21.847 5.550 1.00 51.78 H new ATOM 0 HA LYS A 87 6.978 23.996 6.541 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.439 25.052 4.416 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.626 23.334 4.123 1.00 52.96 H new ATOM 0 HG2 LYS A 87 4.019 23.214 4.573 1.00 55.49 H new ATOM 0 HG3 LYS A 87 4.050 24.944 4.295 1.00 55.49 H new ATOM 0 HD2 LYS A 87 4.293 24.667 2.037 1.00 56.64 H new ATOM 0 HD3 LYS A 87 5.631 23.555 2.250 1.00 56.64 H new ATOM 0 HE2 LYS A 87 4.286 21.720 1.964 1.00 58.91 H new ATOM 0 HE3 LYS A 87 3.080 22.331 3.080 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 2.196 22.180 0.831 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 2.245 23.802 1.329 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 3.413 23.210 0.248 1.00 58.16 H new ATOM 1382 N MET B 1 2.652 18.700 -4.584 1.00 42.32 N ATOM 1383 CA MET B 1 1.982 17.582 -3.860 1.00 40.89 C ATOM 1384 C MET B 1 1.804 16.398 -4.808 1.00 34.75 C ATOM 1385 O MET B 1 2.384 16.349 -5.875 1.00 33.97 O ATOM 1386 CB MET B 1 0.605 18.045 -3.363 1.00 48.45 C ATOM 1387 CG MET B 1 -0.385 18.090 -4.535 1.00 56.13 C ATOM 1388 SD MET B 1 -1.223 19.695 -4.553 1.00 64.91 S ATOM 1389 CE MET B 1 -2.479 19.308 -3.309 1.00 63.43 C ATOM 0 H1 MET B 1 3.496 19.000 -4.055 1.00 42.32 H new ATOM 0 H2 MET B 1 2.933 18.380 -5.533 1.00 42.32 H new ATOM 0 H3 MET B 1 1.995 19.501 -4.670 1.00 42.32 H new ATOM 0 HA MET B 1 2.595 17.282 -3.010 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.239 17.366 -2.593 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.686 19.031 -2.906 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.141 17.932 -5.476 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.116 17.287 -4.439 1.00 56.13 H new ATOM 0 HE1 MET B 1 -3.469 19.514 -3.716 1.00 63.43 H new ATOM 0 HE2 MET B 1 -2.410 18.255 -3.037 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.316 19.922 -2.424 1.00 63.43 H new ATOM 1401 N ILE B 2 0.990 15.452 -4.435 1.00 28.59 N ATOM 1402 CA ILE B 2 0.758 14.283 -5.325 1.00 24.58 C ATOM 1403 C ILE B 2 -0.010 14.775 -6.545 1.00 19.29 C ATOM 1404 O ILE B 2 -1.193 14.556 -6.682 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.055 13.221 -4.590 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.270 13.270 -3.090 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.303 11.848 -5.155 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.186 11.979 -2.413 1.00 33.80 C ATOM 0 H ILE B 2 0.476 15.438 -3.554 1.00 28.59 H new ATOM 0 HA ILE B 2 1.707 13.838 -5.625 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.120 13.407 -4.726 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.342 13.406 -2.946 1.00 28.92 H new ATOM 0 HG13 ILE B 2 -0.225 14.126 -2.630 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.272 11.080 -4.637 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.069 11.820 -6.219 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.367 11.662 -5.012 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.049 12.023 -1.350 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.262 11.861 -2.542 1.00 33.80 H new ATOM 0 HD13 ILE B 2 0.329 11.130 -2.863 1.00 33.80 H new ATOM 1420 N LYS B 3 0.663 15.476 -7.407 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.002 16.052 -8.611 1.00 16.66 C ATOM 1422 C LYS B 3 -0.563 14.976 -9.534 1.00 14.94 C ATOM 1423 O LYS B 3 -0.134 13.840 -9.538 1.00 13.94 O ATOM 1424 CB LYS B 3 1.000 16.915 -9.379 1.00 16.94 C ATOM 1425 CG LYS B 3 0.740 18.390 -9.068 1.00 17.85 C ATOM 1426 CD LYS B 3 1.221 19.254 -10.236 1.00 19.63 C ATOM 1427 CE LYS B 3 1.650 20.626 -9.711 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.029 21.693 -10.545 1.00 32.72 N ATOM 0 H LYS B 3 1.660 15.679 -7.331 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.842 16.656 -8.267 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.019 16.646 -9.099 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.906 16.735 -10.450 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.324 18.554 -8.896 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.259 18.676 -8.153 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.056 18.769 -10.742 1.00 19.63 H new ATOM 0 HD3 LYS B 3 0.424 19.367 -10.971 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.347 20.740 -8.670 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.736 20.714 -9.738 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.320 22.626 -10.189 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.339 21.587 -11.532 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 -0.007 21.612 -10.497 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.533 15.362 -10.322 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.178 14.425 -11.277 1.00 12.99 C ATOM 1444 C VAL B 4 -2.869 15.244 -12.372 1.00 14.26 C ATOM 1445 O VAL B 4 -3.002 16.447 -12.267 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.217 13.576 -10.541 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.881 12.605 -11.520 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.537 12.786 -9.420 1.00 10.41 C ATOM 0 H VAL B 4 -1.910 16.310 -10.340 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.429 13.767 -11.718 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.976 14.232 -10.114 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.620 12.003 -10.991 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.373 13.168 -12.314 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.124 11.952 -11.954 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.280 12.183 -8.898 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.774 12.134 -9.845 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.073 13.478 -8.717 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.304 14.607 -13.421 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.980 15.350 -14.523 1.00 10.51 C ATOM 1460 C GLU B 5 -4.955 14.430 -15.236 1.00 10.00 C ATOM 1461 O GLU B 5 -4.578 13.600 -16.037 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.934 15.849 -15.515 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.300 17.120 -14.961 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.205 17.607 -15.912 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.190 17.157 -17.046 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.400 18.420 -15.491 1.00 22.12 O ATOM 0 H GLU B 5 -3.221 13.601 -13.565 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.523 16.199 -14.107 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.172 15.086 -15.676 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.395 16.048 -16.482 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.059 17.893 -14.839 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.879 16.928 -13.974 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.213 14.584 -14.959 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.219 13.724 -15.640 1.00 10.60 C ATOM 1475 C ILE B 6 -7.378 14.237 -17.078 1.00 10.16 C ATOM 1476 O ILE B 6 -7.963 15.274 -17.321 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.558 13.757 -14.869 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.571 12.615 -13.846 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.740 13.567 -15.820 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.265 13.159 -12.450 1.00 13.81 C ATOM 0 H ILE B 6 -6.590 15.262 -14.296 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.891 12.685 -15.662 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.650 14.725 -14.376 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.544 12.125 -13.849 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.833 11.861 -14.121 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.671 13.594 -15.253 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.743 14.366 -16.561 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.650 12.605 -16.324 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.276 12.341 -11.730 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.281 13.629 -12.450 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.019 13.896 -12.173 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.841 13.516 -18.029 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.932 13.947 -19.452 1.00 11.59 C ATOM 1494 C LYS B 7 -8.396 14.150 -19.836 1.00 12.98 C ATOM 1495 O LYS B 7 -9.284 13.718 -19.127 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.306 12.858 -20.330 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.788 13.035 -20.327 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.151 12.201 -21.437 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.248 13.096 -22.285 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.079 13.878 -23.243 1.00 25.43 N ATOM 0 H LYS B 7 -6.340 12.641 -17.877 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.401 14.888 -19.594 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.572 11.870 -19.953 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.692 12.925 -21.347 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.538 14.087 -20.465 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.383 12.735 -19.361 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.572 11.384 -21.007 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -4.925 11.751 -22.059 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.682 13.771 -21.643 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.523 12.489 -22.828 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.464 14.487 -23.820 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.600 13.226 -23.863 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.754 14.468 -22.716 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.610 14.791 -20.957 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.965 15.045 -21.461 1.00 11.93 C ATOM 1516 C PRO B 8 -10.561 13.736 -21.963 1.00 10.20 C ATOM 1517 O PRO B 8 -11.760 13.593 -22.104 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.756 16.060 -22.589 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.280 15.920 -23.027 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.530 15.305 -21.830 1.00 13.61 C ATOM 0 HA PRO B 8 -10.658 15.428 -20.712 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.430 15.860 -23.422 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.966 17.073 -22.245 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.195 15.284 -23.908 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.860 16.890 -23.292 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.859 14.507 -22.147 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.921 16.048 -21.316 1.00 13.61 H new ATOM 1528 N SER B 9 -9.724 12.768 -22.207 1.00 10.65 N ATOM 1529 CA SER B 9 -10.226 11.448 -22.671 1.00 10.83 C ATOM 1530 C SER B 9 -10.486 10.557 -21.452 1.00 10.94 C ATOM 1531 O SER B 9 -11.013 9.468 -21.567 1.00 13.16 O ATOM 1532 CB SER B 9 -9.185 10.790 -23.576 1.00 13.01 C ATOM 1533 OG SER B 9 -9.829 9.852 -24.428 1.00 15.52 O ATOM 0 H SER B 9 -8.711 12.835 -22.105 1.00 10.65 H new ATOM 0 HA SER B 9 -11.151 11.583 -23.232 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.673 11.547 -24.170 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.426 10.290 -22.974 1.00 13.01 H new ATOM 0 HG SER B 9 -9.164 9.429 -25.011 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.122 11.015 -20.282 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.347 10.202 -19.055 1.00 11.55 C ATOM 1541 C GLN B 10 -11.238 10.981 -18.085 1.00 13.72 C ATOM 1542 O GLN B 10 -11.009 10.989 -16.893 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.009 9.916 -18.383 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.963 9.636 -19.455 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.326 8.362 -20.226 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.764 8.094 -21.270 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -9.244 7.557 -19.760 1.00 4.80 N ATOM 0 H GLN B 10 -9.678 11.920 -20.126 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.830 9.263 -19.326 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.705 10.767 -17.774 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.100 9.061 -17.713 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.900 10.480 -20.142 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.981 9.525 -18.995 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -9.719 7.777 -18.884 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -9.486 6.709 -20.272 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.244 11.648 -18.584 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.133 12.435 -17.681 1.00 18.95 C ATOM 1558 C ALA B 11 -14.458 11.698 -17.480 1.00 20.75 C ATOM 1559 O ALA B 11 -15.422 12.258 -16.996 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.402 13.807 -18.302 1.00 17.72 C ATOM 0 H ALA B 11 -12.488 11.682 -19.574 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.643 12.559 -16.715 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.052 14.383 -17.643 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.459 14.337 -18.436 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.887 13.680 -19.270 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.517 10.448 -17.844 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.782 9.684 -17.669 1.00 25.43 C ATOM 1568 C GLN B 12 -15.474 8.285 -17.143 1.00 22.80 C ATOM 1569 O GLN B 12 -14.550 7.633 -17.586 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.499 9.575 -19.011 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.392 10.797 -19.192 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.229 10.640 -20.463 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.042 11.365 -21.421 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.150 9.717 -20.514 1.00 47.90 N ATOM 0 H GLN B 12 -13.745 9.923 -18.255 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.419 10.204 -16.954 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.774 9.514 -19.822 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -17.095 8.663 -19.047 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -18.045 10.914 -18.327 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.783 11.699 -19.255 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.307 9.109 -19.711 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.713 9.604 -21.357 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.243 7.819 -16.200 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.998 6.464 -15.646 1.00 20.51 C ATOM 1585 C PHE B 13 -16.836 5.441 -16.408 1.00 18.83 C ATOM 1586 O PHE B 13 -17.700 5.786 -17.190 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.411 6.443 -14.178 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.840 6.922 -14.077 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.897 6.026 -14.278 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.106 8.266 -13.795 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.218 6.476 -14.193 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.426 8.716 -13.711 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.481 7.822 -13.909 1.00 18.48 C ATOM 0 H PHE B 13 -17.031 8.320 -15.790 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.940 6.218 -15.743 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.319 5.435 -13.773 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.754 7.084 -13.590 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.692 4.989 -14.498 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.290 8.957 -13.642 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -21.035 5.786 -14.346 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.631 9.754 -13.493 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.501 8.169 -13.843 1.00 18.48 H new ATOM 1603 N THR B 14 -16.597 4.185 -16.172 1.00 14.89 N ATOM 1604 CA THR B 14 -17.386 3.132 -16.862 1.00 13.37 C ATOM 1605 C THR B 14 -17.646 1.997 -15.878 1.00 11.97 C ATOM 1606 O THR B 14 -16.995 1.889 -14.858 1.00 10.76 O ATOM 1607 CB THR B 14 -16.607 2.597 -18.064 1.00 13.68 C ATOM 1608 OG1 THR B 14 -17.384 1.609 -18.727 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.292 1.978 -17.588 1.00 9.24 C ATOM 0 H THR B 14 -15.885 3.840 -15.528 1.00 14.89 H new ATOM 0 HA THR B 14 -18.329 3.550 -17.213 1.00 13.37 H new ATOM 0 HB THR B 14 -16.393 3.415 -18.752 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.887 1.266 -19.499 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.738 1.597 -18.446 1.00 9.24 H new ATOM 0 HG22 THR B 14 -14.697 2.736 -17.079 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.503 1.159 -16.900 1.00 9.24 H new ATOM 1617 N THR B 15 -18.587 1.150 -16.169 1.00 13.20 N ATOM 1618 CA THR B 15 -18.872 0.028 -15.237 1.00 12.54 C ATOM 1619 C THR B 15 -18.041 -1.188 -15.646 1.00 14.34 C ATOM 1620 O THR B 15 -18.268 -1.790 -16.677 1.00 17.35 O ATOM 1621 CB THR B 15 -20.358 -0.324 -15.291 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.080 0.758 -15.864 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.867 -0.589 -13.875 1.00 8.30 C ATOM 0 H THR B 15 -19.169 1.184 -17.006 1.00 13.20 H new ATOM 0 HA THR B 15 -18.613 0.324 -14.220 1.00 12.54 H new ATOM 0 HB THR B 15 -20.501 -1.216 -15.901 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.033 0.532 -15.901 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.927 -0.840 -13.910 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.312 -1.419 -13.438 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.726 0.303 -13.265 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.316 -1.504 -10.105 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.370 -0.061 -9.738 1.00 16.31 C ATOM 1818 C LEU B 28 -17.848 0.793 -10.895 1.00 14.21 C ATOM 1819 O LEU B 28 -17.211 0.304 -11.806 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.503 0.174 -8.501 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.352 0.018 -7.240 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -19.348 1.177 -7.148 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -19.114 -1.309 -7.299 1.00 22.01 C ATOM 0 HA LEU B 28 -19.402 0.219 -9.527 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.676 -0.536 -8.484 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.066 1.172 -8.536 1.00 16.48 H new ATOM 0 HG LEU B 28 -17.705 0.026 -6.363 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.954 1.066 -6.249 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.805 2.121 -7.105 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -19.996 1.171 -8.025 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -19.720 -1.421 -6.400 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -19.761 -1.318 -8.176 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -18.404 -2.134 -7.363 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.112 2.070 -10.858 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.633 2.969 -11.946 1.00 9.77 C ATOM 1837 C ASN B 29 -16.127 3.201 -11.786 1.00 7.94 C ATOM 1838 O ASN B 29 -15.675 3.721 -10.785 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.354 4.313 -11.845 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.798 4.164 -12.324 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.113 3.263 -13.076 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.697 5.018 -11.915 1.00 12.89 N ATOM 0 H ASN B 29 -18.641 2.531 -10.118 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.837 2.510 -12.913 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.338 4.668 -10.815 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.837 5.060 -12.447 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.664 4.929 -12.227 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.432 5.774 -11.284 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.346 2.826 -12.761 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.873 3.035 -12.657 1.00 13.16 C ATOM 1851 C GLU B 30 -13.454 4.153 -13.616 1.00 12.26 C ATOM 1852 O GLU B 30 -13.994 4.290 -14.696 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.147 1.740 -13.032 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.978 0.870 -11.785 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.671 0.081 -11.885 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -10.657 0.689 -12.187 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -11.706 -1.117 -11.658 1.00 38.01 O ATOM 0 H GLU B 30 -15.663 2.385 -13.624 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.613 3.313 -11.636 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.713 1.200 -13.791 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.173 1.969 -13.464 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.971 1.494 -10.892 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.821 0.186 -11.689 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.497 4.956 -13.233 1.00 10.34 N ATOM 1865 CA GLN B 31 -12.052 6.063 -14.128 1.00 9.46 C ATOM 1866 C GLN B 31 -10.526 6.036 -14.255 1.00 10.09 C ATOM 1867 O GLN B 31 -9.861 5.197 -13.681 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.495 7.406 -13.536 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.682 8.433 -14.657 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.753 9.623 -14.414 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.663 9.463 -13.904 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.142 10.820 -14.759 1.00 12.39 N ATOM 0 H GLN B 31 -12.006 4.893 -12.341 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.499 5.936 -15.114 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.428 7.281 -12.986 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.751 7.763 -12.824 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.463 7.978 -15.623 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.719 8.767 -14.690 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.058 10.955 -15.188 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.530 11.621 -14.600 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.965 6.946 -15.007 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.483 6.966 -15.172 1.00 10.34 C ATOM 1883 C LEU B 32 -7.963 8.398 -15.003 1.00 9.02 C ATOM 1884 O LEU B 32 -8.694 9.356 -15.148 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.121 6.449 -16.565 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.943 5.196 -16.874 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -10.333 5.604 -17.366 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.236 4.378 -17.959 1.00 15.89 C ATOM 0 H LEU B 32 -10.468 7.675 -15.513 1.00 6.80 H new ATOM 0 HA LEU B 32 -8.025 6.328 -14.416 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.316 7.218 -17.312 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.057 6.220 -16.614 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.041 4.594 -15.971 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.918 4.711 -17.586 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.836 6.186 -16.594 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -10.237 6.206 -18.269 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.820 3.485 -18.180 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -8.137 4.980 -18.862 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.246 4.086 -17.608 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.700 8.546 -14.702 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.114 9.906 -14.526 1.00 8.10 C ATOM 1902 C CYS B 33 -4.632 9.830 -14.878 1.00 6.34 C ATOM 1903 O CYS B 33 -4.123 8.774 -15.187 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.268 10.369 -13.071 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.830 9.760 -12.385 1.00 13.84 S ATOM 0 H CYS B 33 -6.044 7.776 -14.570 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.629 10.617 -15.172 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.433 10.003 -12.474 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.241 11.458 -13.023 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.713 9.663 -13.335 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.928 10.924 -14.836 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.480 10.870 -15.179 1.00 7.08 C ATOM 1913 C TYR B 34 -1.651 11.500 -14.059 1.00 7.71 C ATOM 1914 O TYR B 34 -1.837 12.647 -13.707 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.229 11.647 -16.466 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.630 10.820 -17.664 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.949 10.867 -18.125 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -1.681 10.035 -18.332 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -4.318 10.134 -19.255 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -2.050 9.302 -19.458 1.00 17.22 C ATOM 1921 CZ TYR B 34 -3.366 9.354 -19.922 1.00 16.83 C ATOM 1922 OH TYR B 34 -3.731 8.629 -21.039 1.00 21.14 O ATOM 0 H TYR B 34 -4.286 11.845 -14.582 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.191 9.827 -15.308 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.795 12.578 -16.453 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.175 11.915 -16.537 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -4.681 11.469 -17.608 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -0.663 9.998 -17.974 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -5.336 10.169 -19.614 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -1.319 8.694 -19.971 1.00 17.22 H new ATOM 0 HH TYR B 34 -2.952 8.143 -21.382 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.732 10.762 -13.501 1.00 9.44 N ATOM 1933 CA VAL B 35 0.109 11.326 -12.411 1.00 10.66 C ATOM 1934 C VAL B 35 1.542 11.541 -12.914 1.00 10.57 C ATOM 1935 O VAL B 35 2.152 10.656 -13.483 1.00 8.31 O ATOM 1936 CB VAL B 35 0.104 10.366 -11.223 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.042 10.893 -10.141 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.318 10.271 -10.666 1.00 9.86 C ATOM 0 H VAL B 35 -0.528 9.795 -13.753 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.297 12.288 -12.097 1.00 10.66 H new ATOM 0 HB VAL B 35 0.441 9.380 -11.542 1.00 10.22 H new ATOM 0 HG11 VAL B 35 1.039 10.209 -9.292 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.053 10.970 -10.542 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.705 11.877 -9.815 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.331 9.587 -9.817 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.649 11.258 -10.342 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.988 9.900 -11.441 1.00 9.86 H new ATOM 1948 N ASP B 36 2.077 12.720 -12.714 1.00 8.58 N ATOM 1949 CA ASP B 36 3.459 13.012 -13.178 1.00 11.48 C ATOM 1950 C ASP B 36 4.329 13.429 -11.987 1.00 12.38 C ATOM 1951 O ASP B 36 5.540 13.466 -12.074 1.00 11.89 O ATOM 1952 CB ASP B 36 3.429 14.152 -14.199 1.00 16.17 C ATOM 1953 CG ASP B 36 2.257 13.956 -15.162 1.00 17.97 C ATOM 1954 OD1 ASP B 36 1.148 13.778 -14.688 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.489 13.992 -16.360 1.00 25.89 O ATOM 0 H ASP B 36 1.608 13.495 -12.245 1.00 8.58 H new ATOM 0 HA ASP B 36 3.876 12.116 -13.639 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.334 15.109 -13.686 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.367 14.180 -14.754 1.00 16.17 H new ATOM 1960 N LEU B 37 3.711 13.748 -10.881 1.00 13.17 N ATOM 1961 CA LEU B 37 4.474 14.170 -9.666 1.00 18.47 C ATOM 1962 C LEU B 37 5.776 13.376 -9.546 1.00 21.14 C ATOM 1963 O LEU B 37 6.754 13.850 -9.002 1.00 24.24 O ATOM 1964 CB LEU B 37 3.619 13.894 -8.431 1.00 15.81 C ATOM 1965 CG LEU B 37 3.024 12.490 -8.549 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.071 11.440 -8.159 1.00 14.72 C ATOM 1967 CD2 LEU B 37 1.812 12.364 -7.626 1.00 20.01 C ATOM 0 H LEU B 37 2.698 13.734 -10.765 1.00 13.17 H new ATOM 0 HA LEU B 37 4.711 15.231 -9.747 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.224 13.973 -7.528 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.824 14.635 -8.349 1.00 15.81 H new ATOM 0 HG LEU B 37 2.716 12.324 -9.581 1.00 20.59 H new ATOM 0 HD11 LEU B 37 3.637 10.444 -8.246 1.00 14.72 H new ATOM 0 HD12 LEU B 37 4.932 11.521 -8.823 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.389 11.608 -7.130 1.00 14.72 H new ATOM 0 HD21 LEU B 37 1.391 11.362 -7.713 1.00 20.01 H new ATOM 0 HD22 LEU B 37 2.120 12.540 -6.595 1.00 20.01 H new ATOM 0 HD23 LEU B 37 1.060 13.100 -7.911 1.00 20.01 H new ATOM 1979 N GLY B 38 5.792 12.167 -10.031 1.00 20.70 N ATOM 1980 CA GLY B 38 7.019 11.344 -9.922 1.00 23.91 C ATOM 1981 C GLY B 38 7.442 10.866 -11.314 1.00 26.50 C ATOM 1982 O GLY B 38 8.187 9.917 -11.456 1.00 31.02 O ATOM 0 H GLY B 38 5.006 11.716 -10.498 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.820 11.926 -9.467 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.838 10.488 -9.272 1.00 23.91 H new ATOM 1986 N ASN B 39 6.972 11.521 -12.341 1.00 27.64 N ATOM 1987 CA ASN B 39 7.342 11.117 -13.724 1.00 30.27 C ATOM 1988 C ASN B 39 6.965 12.242 -14.691 1.00 26.79 C ATOM 1989 O ASN B 39 5.807 12.562 -14.868 1.00 26.87 O ATOM 1990 CB ASN B 39 6.609 9.827 -14.124 1.00 35.62 C ATOM 1991 CG ASN B 39 5.421 9.575 -13.189 1.00 41.31 C ATOM 1992 OD1 ASN B 39 4.802 10.503 -12.709 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.077 8.348 -12.912 1.00 39.63 N ATOM 0 H ASN B 39 6.344 12.323 -12.279 1.00 27.64 H new ATOM 0 HA ASN B 39 8.415 10.932 -13.766 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.260 9.904 -15.154 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.297 8.983 -14.083 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.288 8.167 -12.292 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.597 7.569 -13.316 1.00 39.63 H new ATOM 2000 N GLU B 40 7.945 12.847 -15.308 1.00 25.15 N ATOM 2001 CA GLU B 40 7.676 13.960 -16.262 1.00 23.81 C ATOM 2002 C GLU B 40 6.433 13.652 -17.087 1.00 21.12 C ATOM 2003 O GLU B 40 5.414 14.304 -16.969 1.00 19.86 O ATOM 2004 CB GLU B 40 8.882 14.139 -17.189 1.00 27.22 C ATOM 2005 CG GLU B 40 10.064 14.687 -16.387 1.00 34.87 C ATOM 2006 CD GLU B 40 11.321 14.686 -17.259 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.525 15.655 -17.971 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.059 13.716 -17.199 1.00 42.34 O ATOM 0 H GLU B 40 8.931 12.614 -15.190 1.00 25.15 H new ATOM 0 HA GLU B 40 7.508 14.880 -15.702 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.149 13.185 -17.645 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.632 14.822 -18.001 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.847 15.699 -16.046 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.226 14.079 -15.497 1.00 34.87 H new ATOM 2015 N HIS B 41 6.506 12.655 -17.910 1.00 4.47 N ATOM 2016 CA HIS B 41 5.322 12.285 -18.739 1.00 4.01 C ATOM 2017 C HIS B 41 4.200 11.845 -17.800 1.00 3.04 C ATOM 2018 O HIS B 41 4.464 11.391 -16.704 1.00 2.22 O ATOM 2019 CB HIS B 41 5.690 11.135 -19.681 1.00 4.28 C ATOM 2020 CG HIS B 41 7.036 11.398 -20.297 1.00 3.86 C ATOM 2021 ND1 HIS B 41 7.612 12.659 -20.309 1.00 4.16 N ATOM 2022 CD2 HIS B 41 7.932 10.571 -20.929 1.00 4.84 C ATOM 2023 CE1 HIS B 41 8.802 12.555 -20.929 1.00 5.55 C ATOM 2024 NE2 HIS B 41 9.047 11.304 -21.327 1.00 6.38 N ATOM 0 H HIS B 41 7.333 12.075 -18.050 1.00 4.47 H new ATOM 0 HA HIS B 41 4.999 13.137 -19.337 1.00 4.01 H new ATOM 0 HB2 HIS B 41 5.708 10.194 -19.132 1.00 4.28 H new ATOM 0 HB3 HIS B 41 4.935 11.035 -20.461 1.00 4.28 H new ATOM 0 HD2 HIS B 41 7.793 9.513 -21.093 1.00 4.84 H new ATOM 0 HE1 HIS B 41 9.477 13.383 -21.086 1.00 5.55 H new ATOM 0 HE2 HIS B 41 9.873 10.960 -21.817 1.00 6.38 H new ATOM 2032 N PRO B 42 2.979 11.998 -18.241 1.00 15.11 N ATOM 2033 CA PRO B 42 1.811 11.628 -17.432 1.00 16.08 C ATOM 2034 C PRO B 42 1.599 10.118 -17.471 1.00 17.92 C ATOM 2035 O PRO B 42 1.713 9.489 -18.505 1.00 17.13 O ATOM 2036 CB PRO B 42 0.652 12.345 -18.119 1.00 16.41 C ATOM 2037 CG PRO B 42 1.097 12.585 -19.575 1.00 13.79 C ATOM 2038 CD PRO B 42 2.643 12.547 -19.572 1.00 16.28 C ATOM 0 HA PRO B 42 1.916 11.902 -16.382 1.00 16.08 H new ATOM 0 HB2 PRO B 42 -0.255 11.741 -18.084 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.427 13.288 -17.620 1.00 16.41 H new ATOM 0 HG2 PRO B 42 0.691 11.819 -20.236 1.00 13.79 H new ATOM 0 HG3 PRO B 42 0.733 13.546 -19.939 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.029 11.918 -20.374 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.068 13.541 -19.714 1.00 16.28 H new ATOM 2046 N VAL B 43 1.282 9.535 -16.356 1.00 16.29 N ATOM 2047 CA VAL B 43 1.050 8.069 -16.326 1.00 14.28 C ATOM 2048 C VAL B 43 -0.436 7.801 -16.116 1.00 9.00 C ATOM 2049 O VAL B 43 -1.004 8.157 -15.105 1.00 7.99 O ATOM 2050 CB VAL B 43 1.849 7.448 -15.182 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.293 7.950 -15.233 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.218 7.841 -13.844 1.00 20.57 C ATOM 0 H VAL B 43 1.173 10.011 -15.460 1.00 16.29 H new ATOM 0 HA VAL B 43 1.372 7.628 -17.269 1.00 14.28 H new ATOM 0 HB VAL B 43 1.840 6.363 -15.282 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.862 7.506 -14.416 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.743 7.667 -16.184 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.305 9.036 -15.135 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.789 7.397 -13.028 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.225 8.926 -13.743 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.190 7.480 -13.806 1.00 20.57 H new ATOM 2062 N LEU B 44 -1.073 7.181 -17.068 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.523 6.904 -16.925 1.00 11.55 C ATOM 2064 C LEU B 44 -2.745 5.810 -15.883 1.00 10.61 C ATOM 2065 O LEU B 44 -2.465 4.650 -16.111 1.00 13.49 O ATOM 2066 CB LEU B 44 -3.097 6.454 -18.262 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.579 6.138 -18.088 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -5.304 7.382 -17.566 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -5.176 5.725 -19.435 1.00 20.21 C ATOM 0 H LEU B 44 -0.651 6.855 -17.937 1.00 10.19 H new ATOM 0 HA LEU B 44 -3.026 7.816 -16.602 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.965 7.235 -19.010 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.565 5.574 -18.623 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.697 5.321 -17.376 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -6.364 7.160 -17.440 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.879 7.675 -16.606 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -5.186 8.198 -18.279 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -6.235 5.499 -19.310 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -5.061 6.540 -20.149 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.658 4.841 -19.807 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.255 6.174 -14.743 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.512 5.169 -13.680 1.00 9.29 C ATOM 2083 C VAL B 45 -5.005 4.865 -13.633 1.00 9.95 C ATOM 2084 O VAL B 45 -5.795 5.475 -14.327 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.046 5.726 -12.328 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.803 6.592 -12.538 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -4.154 6.580 -11.688 1.00 10.20 C ATOM 0 H VAL B 45 -3.507 7.132 -14.501 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.963 4.252 -13.894 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.814 4.892 -11.666 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.470 6.989 -11.579 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -1.009 5.988 -12.976 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -2.043 7.417 -13.208 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.807 6.967 -10.730 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -4.399 7.412 -12.348 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -5.041 5.967 -11.532 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.401 3.937 -12.816 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.845 3.613 -12.728 1.00 12.81 C ATOM 2099 C LYS B 46 -7.416 4.183 -11.429 1.00 13.35 C ATOM 2100 O LYS B 46 -6.919 3.920 -10.352 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.038 2.096 -12.760 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.865 1.590 -14.193 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.180 1.755 -14.955 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.774 0.378 -15.252 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.727 -0.494 -15.856 1.00 36.74 N ATOM 0 H LYS B 46 -4.791 3.391 -12.208 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.368 4.055 -13.576 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.315 1.613 -12.103 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.030 1.837 -12.389 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.071 2.145 -14.692 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.566 0.542 -14.186 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.882 2.346 -14.367 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.008 2.297 -15.885 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.153 -0.072 -14.334 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.620 0.474 -15.933 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.170 -1.158 -16.523 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.035 0.094 -16.362 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -7.245 -1.028 -15.105 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.453 4.970 -11.524 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.052 5.564 -10.302 1.00 16.93 C ATOM 2121 C ILE B 47 -10.516 5.133 -10.186 1.00 16.52 C ATOM 2122 O ILE B 47 -11.272 5.208 -11.134 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.959 7.094 -10.386 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.071 7.689 -8.986 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.087 7.648 -11.257 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.914 8.654 -8.758 1.00 18.26 C ATOM 0 H ILE B 47 -8.910 5.226 -12.399 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.511 5.218 -9.421 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.000 7.363 -10.829 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.022 8.210 -8.874 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.052 6.896 -8.238 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.008 8.734 -11.307 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.009 7.232 -12.261 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.049 7.374 -10.824 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.989 9.082 -7.759 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.969 8.118 -8.853 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.955 9.452 -9.499 1.00 18.26 H new ATOM 2138 N THR B 48 -10.922 4.687 -9.031 1.00 16.86 N ATOM 2139 CA THR B 48 -12.336 4.257 -8.858 1.00 16.59 C ATOM 2140 C THR B 48 -13.253 5.476 -8.985 1.00 19.04 C ATOM 2141 O THR B 48 -12.841 6.600 -8.783 1.00 22.56 O ATOM 2142 CB THR B 48 -12.509 3.626 -7.476 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.721 2.447 -7.394 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.980 3.277 -7.248 1.00 16.02 C ATOM 0 H THR B 48 -10.336 4.602 -8.200 1.00 16.86 H new ATOM 0 HA THR B 48 -12.595 3.526 -9.624 1.00 16.59 H new ATOM 0 HB THR B 48 -12.187 4.334 -6.712 1.00 16.30 H new ATOM 0 HG1 THR B 48 -12.219 1.753 -6.913 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.099 2.828 -6.262 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.583 4.183 -7.309 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.309 2.571 -8.011 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.494 5.260 -9.322 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.440 6.396 -9.469 1.00 18.82 C ATOM 2154 C LEU B 49 -16.711 6.084 -8.674 1.00 20.06 C ATOM 2155 O LEU B 49 -17.462 5.192 -9.012 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.770 6.575 -10.958 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.570 7.859 -11.193 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.058 7.581 -10.969 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -16.107 8.967 -10.239 1.00 14.50 C ATOM 0 H LEU B 49 -14.894 4.339 -9.502 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.999 7.317 -9.089 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -14.847 6.606 -11.537 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.340 5.717 -11.313 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.405 8.190 -12.218 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -18.628 8.495 -11.136 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.393 6.812 -11.665 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.214 7.238 -9.946 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -16.688 9.871 -10.422 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -16.253 8.644 -9.208 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -15.050 9.174 -10.408 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.947 6.800 -7.607 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.158 6.533 -6.778 1.00 27.04 C ATOM 2173 C ASP B 50 -19.366 6.288 -7.683 1.00 27.73 C ATOM 2174 O ASP B 50 -19.725 7.118 -8.495 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.432 7.736 -5.872 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.438 7.282 -4.411 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.703 6.362 -4.094 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.178 7.863 -3.634 1.00 33.99 O ATOM 0 H ASP B 50 -16.353 7.559 -7.274 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.985 5.647 -6.166 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.670 8.500 -6.024 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.391 8.187 -6.128 1.00 29.11 H new ATOM 2183 N GLU B 51 -19.998 5.154 -7.546 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.184 4.855 -8.393 1.00 34.22 C ATOM 2185 C GLU B 51 -22.167 6.024 -8.318 1.00 34.98 C ATOM 2186 O GLU B 51 -22.897 6.175 -7.358 1.00 34.19 O ATOM 2187 CB GLU B 51 -21.862 3.582 -7.884 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.190 3.385 -8.615 1.00 46.84 C ATOM 2189 CD GLU B 51 -23.660 1.939 -8.442 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -22.913 1.158 -7.876 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -24.758 1.638 -8.880 1.00 53.83 O ATOM 0 H GLU B 51 -19.743 4.422 -6.883 1.00 31.16 H new ATOM 0 HA GLU B 51 -20.870 4.710 -9.427 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.213 2.721 -8.048 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.033 3.653 -6.810 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.939 4.071 -8.221 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.072 3.616 -9.674 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.187 6.858 -9.321 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.117 8.021 -9.306 1.00 34.93 C ATOM 2200 C GLY B 52 -22.306 9.316 -9.298 1.00 36.10 C ATOM 2201 O GLY B 52 -22.776 10.358 -9.711 1.00 35.97 O ATOM 0 H GLY B 52 -21.599 6.784 -10.151 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.768 7.992 -10.179 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.760 7.976 -8.427 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.088 9.259 -8.833 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.244 10.485 -8.800 1.00 35.40 C ATOM 2207 C GLN B 53 -19.787 10.825 -10.221 1.00 31.02 C ATOM 2208 O GLN B 53 -19.758 9.969 -11.080 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.018 10.234 -7.918 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.106 11.107 -6.665 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.779 11.051 -5.906 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.751 10.739 -4.732 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.671 11.341 -6.530 1.00 54.76 N ATOM 0 H GLN B 53 -20.641 8.415 -8.474 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.822 11.315 -8.394 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.967 9.182 -7.639 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.106 10.462 -8.470 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.335 12.136 -6.942 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.918 10.761 -6.025 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.694 11.603 -7.516 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.781 11.306 -6.032 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.439 12.067 -10.423 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.968 12.554 -11.729 1.00 23.44 C ATOM 2224 C PRO B 54 -17.505 12.157 -11.942 1.00 20.14 C ATOM 2225 O PRO B 54 -16.626 12.609 -11.235 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.113 14.071 -11.623 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.112 14.401 -10.115 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.486 13.103 -9.374 1.00 28.37 C ATOM 0 HA PRO B 54 -19.524 12.140 -12.570 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.293 14.577 -12.132 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.037 14.407 -12.094 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.132 14.758 -9.798 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.827 15.193 -9.892 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.784 12.887 -8.568 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.477 13.171 -8.925 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.240 11.311 -12.905 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.838 10.878 -13.165 1.00 15.58 C ATOM 2238 C ALA B 55 -14.884 12.063 -12.989 1.00 16.41 C ATOM 2239 O ALA B 55 -15.195 13.181 -13.351 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.738 10.351 -14.596 1.00 13.98 C ATOM 0 H ALA B 55 -17.939 10.901 -13.524 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.563 10.094 -12.460 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.715 10.032 -14.795 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.413 9.504 -14.720 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.014 11.141 -15.295 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.725 11.824 -12.432 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.744 12.931 -12.226 1.00 14.61 C ATOM 2248 C TYR B 56 -12.728 13.830 -13.464 1.00 15.51 C ATOM 2249 O TYR B 56 -12.122 13.513 -14.464 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.345 12.343 -11.996 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.345 11.530 -10.717 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.794 10.205 -10.734 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.910 12.108 -9.519 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.807 9.457 -9.554 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.924 11.359 -8.337 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.371 10.033 -8.354 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.385 9.295 -7.189 1.00 12.03 O ATOM 0 H TYR B 56 -13.415 10.907 -12.110 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.034 13.518 -11.354 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.059 11.714 -12.839 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.608 13.144 -11.931 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.130 9.761 -11.659 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.564 13.131 -9.507 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.153 8.434 -9.567 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.590 11.804 -7.412 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.050 9.844 -6.450 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.397 14.949 -13.407 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.419 15.861 -14.585 1.00 14.95 C ATOM 2269 C ALA B 57 -11.985 16.097 -15.069 1.00 15.46 C ATOM 2270 O ALA B 57 -11.040 15.732 -14.399 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.050 17.197 -14.187 1.00 14.98 C ATOM 0 H ALA B 57 -13.928 15.270 -12.598 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.005 15.409 -15.385 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.066 17.863 -15.049 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.069 17.029 -13.840 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.465 17.652 -13.388 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.869 16.704 -16.222 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.561 17.008 -16.828 1.00 16.55 C ATOM 2279 C PRO B 58 -9.930 18.219 -16.141 1.00 16.75 C ATOM 2280 O PRO B 58 -10.494 19.295 -16.118 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.904 17.319 -18.287 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.397 17.725 -18.307 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.027 17.146 -17.026 1.00 13.96 C ATOM 0 HA PRO B 58 -9.841 16.195 -16.733 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.277 18.124 -18.670 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.729 16.450 -18.921 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.503 18.809 -18.335 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.893 17.333 -19.195 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.616 17.896 -16.498 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.696 16.315 -17.251 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.768 18.053 -15.574 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.112 19.196 -14.884 1.00 15.08 C ATOM 2293 C GLY B 59 -6.894 18.697 -14.104 1.00 14.96 C ATOM 2294 O GLY B 59 -6.604 17.520 -14.082 1.00 13.79 O ATOM 0 H GLY B 59 -8.246 17.177 -15.559 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.807 19.947 -15.613 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.817 19.678 -14.207 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.188 19.581 -13.451 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.006 19.149 -12.654 1.00 14.53 C ATOM 2300 C LEU B 60 -5.516 18.441 -11.401 1.00 14.15 C ATOM 2301 O LEU B 60 -6.468 18.881 -10.788 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.192 20.380 -12.243 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.716 20.150 -12.561 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.976 21.490 -12.548 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.107 19.220 -11.508 1.00 15.01 C ATOM 0 H LEU B 60 -6.379 20.583 -13.436 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.375 18.482 -13.241 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.555 21.261 -12.772 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.319 20.573 -11.178 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.623 19.694 -13.547 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.923 21.326 -12.775 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.410 22.152 -13.297 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.068 21.947 -11.563 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.054 19.055 -11.734 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.200 19.676 -10.522 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.634 18.266 -11.517 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.919 17.349 -11.004 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.430 16.661 -9.792 1.00 9.57 C ATOM 2319 C TYR B 61 -4.345 16.474 -8.756 1.00 11.76 C ATOM 2320 O TYR B 61 -3.165 16.544 -9.025 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.016 15.304 -10.158 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.441 15.517 -10.573 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.720 16.022 -11.842 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.480 15.239 -9.678 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.041 16.250 -12.225 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.803 15.470 -10.058 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.080 15.976 -11.333 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.386 16.204 -11.719 1.00 14.61 O ATOM 0 H TYR B 61 -4.116 16.914 -11.458 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.208 17.294 -9.365 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.446 14.848 -10.968 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.963 14.623 -9.308 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.914 16.236 -12.528 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.259 14.847 -8.696 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.260 16.638 -13.209 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.609 15.259 -9.371 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.439 16.225 -12.697 1.00 14.61 H new ATOM 2338 N THR B 62 -4.771 16.219 -7.563 1.00 12.22 N ATOM 2339 CA THR B 62 -3.839 15.992 -6.450 1.00 14.26 C ATOM 2340 C THR B 62 -4.477 14.946 -5.562 1.00 15.40 C ATOM 2341 O THR B 62 -5.575 15.124 -5.072 1.00 16.24 O ATOM 2342 CB THR B 62 -3.631 17.280 -5.667 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.867 17.693 -5.098 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.110 18.363 -6.608 1.00 11.61 C ATOM 0 H THR B 62 -5.757 16.157 -7.309 1.00 12.22 H new ATOM 0 HA THR B 62 -2.865 15.664 -6.814 1.00 14.26 H new ATOM 0 HB THR B 62 -2.906 17.113 -4.870 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.922 18.671 -5.110 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.960 19.288 -6.051 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.163 18.043 -7.042 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.835 18.533 -7.404 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.832 13.848 -5.370 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.453 12.801 -4.535 1.00 15.17 C ATOM 2354 C VAL B 63 -4.830 13.399 -3.187 1.00 14.24 C ATOM 2355 O VAL B 63 -4.420 14.487 -2.837 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.502 11.631 -4.350 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.319 10.390 -4.010 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.724 11.391 -5.650 1.00 18.64 C ATOM 0 H VAL B 63 -2.911 13.627 -5.749 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.350 12.429 -5.031 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.797 11.847 -3.547 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.650 9.540 -3.874 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.878 10.563 -3.090 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.014 10.178 -4.822 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.042 10.551 -5.516 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.423 11.166 -6.456 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.154 12.285 -5.903 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.622 12.700 -2.437 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.047 13.225 -1.115 1.00 10.78 C ATOM 2370 C HIS B 64 -5.776 12.165 -0.047 1.00 14.19 C ATOM 2371 O HIS B 64 -6.196 11.027 -0.171 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.543 13.546 -1.159 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.866 14.613 -0.148 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.234 14.681 1.084 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.770 15.647 -0.161 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.766 15.712 1.759 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.707 16.339 1.046 1.00 20.65 N ATOM 0 H HIS B 64 -5.997 11.783 -2.681 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.491 14.131 -0.876 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.823 13.882 -2.158 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.123 12.647 -0.951 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.429 15.887 -0.982 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.470 16.000 2.757 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.260 17.149 1.326 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.078 12.527 1.001 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.779 11.542 2.076 1.00 14.44 C ATOM 2387 C LEU B 65 -6.066 11.191 2.830 1.00 12.66 C ATOM 2388 O LEU B 65 -6.068 10.352 3.708 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.729 12.131 3.035 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.407 12.905 4.156 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.421 12.055 5.426 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.657 14.210 4.417 1.00 19.03 C ATOM 0 H LEU B 65 -4.704 13.463 1.155 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.378 10.629 1.636 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.121 11.330 3.454 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.055 12.789 2.486 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.431 13.137 3.863 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.907 12.609 6.229 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.969 11.131 5.240 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.398 11.818 5.716 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.149 14.758 5.221 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.630 13.988 4.705 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.657 14.817 3.512 1.00 19.03 H new ATOM 2404 N SER B 66 -7.169 11.809 2.486 1.00 13.51 N ATOM 2405 CA SER B 66 -8.437 11.480 3.181 1.00 10.39 C ATOM 2406 C SER B 66 -8.648 9.972 3.074 1.00 8.56 C ATOM 2407 O SER B 66 -9.396 9.376 3.824 1.00 11.70 O ATOM 2408 CB SER B 66 -9.599 12.209 2.505 1.00 12.88 C ATOM 2409 OG SER B 66 -10.825 11.615 2.909 1.00 14.72 O ATOM 0 H SER B 66 -7.240 12.521 1.759 1.00 13.51 H new ATOM 0 HA SER B 66 -8.391 11.788 4.226 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.587 13.265 2.775 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.496 12.156 1.421 1.00 12.88 H new ATOM 0 HG SER B 66 -11.572 12.081 2.479 1.00 14.72 H new ATOM 2415 N SER B 67 -7.983 9.357 2.131 1.00 7.98 N ATOM 2416 CA SER B 67 -8.123 7.890 1.943 1.00 8.20 C ATOM 2417 C SER B 67 -7.004 7.153 2.688 1.00 11.02 C ATOM 2418 O SER B 67 -7.020 5.943 2.797 1.00 11.45 O ATOM 2419 CB SER B 67 -8.037 7.562 0.452 1.00 8.01 C ATOM 2420 OG SER B 67 -8.807 8.505 -0.280 1.00 11.22 O ATOM 0 H SER B 67 -7.345 9.815 1.480 1.00 7.98 H new ATOM 0 HA SER B 67 -9.086 7.570 2.340 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.999 7.588 0.121 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.405 6.553 0.268 1.00 8.01 H new ATOM 0 HG SER B 67 -9.388 8.033 -0.912 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.026 7.860 3.194 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.915 7.171 3.913 1.00 11.79 C ATOM 2428 C PHE B 68 -5.320 6.945 5.368 1.00 12.69 C ATOM 2429 O PHE B 68 -6.152 7.643 5.912 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.636 8.021 3.879 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.370 8.554 2.486 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.117 8.108 1.385 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.391 9.538 2.312 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.880 8.650 0.118 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.160 10.081 1.047 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.904 9.638 -0.049 1.00 11.87 C ATOM 0 H PHE B 68 -5.949 8.876 3.141 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.720 6.218 3.420 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.730 8.852 4.578 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.788 7.421 4.210 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.873 7.348 1.516 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.813 9.878 3.158 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.451 8.306 -0.732 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.406 10.843 0.916 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.725 10.059 -1.027 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.728 5.974 6.001 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.060 5.693 7.426 1.00 15.38 C ATOM 2448 C LYS B 69 -3.814 5.163 8.132 1.00 15.02 C ATOM 2449 O LYS B 69 -2.780 4.966 7.525 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.171 4.642 7.502 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.537 5.334 7.467 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.338 4.828 6.265 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.834 3.407 6.540 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.300 3.434 6.808 1.00 32.70 N ATOM 0 H LYS B 69 -4.025 5.359 5.592 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.400 6.610 7.908 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.084 3.945 6.668 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.071 4.058 8.417 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -8.081 5.134 8.390 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.407 6.414 7.402 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -9.184 5.489 6.075 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.716 4.840 5.370 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -8.622 2.765 5.685 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.305 2.985 7.395 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.637 2.468 6.995 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.490 4.033 7.636 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.797 3.820 5.980 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.904 4.928 9.409 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.723 4.406 10.152 1.00 13.49 C ATOM 2470 C VAL B 70 -3.120 3.146 10.919 1.00 11.85 C ATOM 2471 O VAL B 70 -3.975 3.174 11.782 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.221 5.460 11.132 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.728 5.245 11.393 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.443 6.855 10.544 1.00 15.63 C ATOM 0 H VAL B 70 -4.742 5.074 9.971 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.930 4.168 9.443 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.769 5.373 12.070 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.369 5.999 12.094 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.572 4.253 11.816 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.179 5.330 10.455 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.083 7.607 11.246 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -1.897 6.945 9.605 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.507 7.008 10.362 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.504 2.040 10.611 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.842 0.774 11.321 1.00 11.07 C ATOM 2486 C GLY B 71 -2.081 0.716 12.646 1.00 12.15 C ATOM 2487 O GLY B 71 -2.477 1.314 13.627 1.00 12.70 O ATOM 0 H GLY B 71 -1.780 1.957 9.897 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.915 0.722 11.503 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.581 -0.084 10.701 1.00 11.07 H new ATOM 2491 N GLN B 72 -0.988 0.004 12.684 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.203 -0.085 13.945 1.00 19.42 C ATOM 2493 C GLN B 72 0.875 -1.158 13.802 1.00 16.97 C ATOM 2494 O GLN B 72 0.665 -2.308 14.129 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.133 -0.439 15.106 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.417 0.816 15.933 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.591 0.778 17.219 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.136 0.759 18.305 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.712 0.766 17.143 1.00 25.15 N ATOM 0 H GLN B 72 -0.606 -0.519 11.896 1.00 15.78 H new ATOM 0 HA GLN B 72 0.270 0.876 14.145 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.066 -0.855 14.725 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -0.675 -1.204 15.733 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -1.171 1.708 15.356 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.479 0.874 16.172 1.00 25.29 H new ATOM 0 HE21 GLN B 72 1.170 0.782 16.232 1.00 25.15 H new ATOM 0 HE22 GLN B 72 1.272 0.741 17.995 1.00 25.15 H new ATOM 2508 N PHE B 73 2.025 -0.769 13.316 1.00 14.56 N ATOM 2509 CA PHE B 73 3.159 -1.719 13.128 1.00 14.60 C ATOM 2510 C PHE B 73 4.029 -1.224 11.972 1.00 15.63 C ATOM 2511 O PHE B 73 5.231 -1.398 11.967 1.00 17.80 O ATOM 2512 CB PHE B 73 2.636 -3.116 12.800 1.00 12.63 C ATOM 2513 CG PHE B 73 2.627 -3.944 14.059 1.00 14.99 C ATOM 2514 CD1 PHE B 73 3.726 -3.912 14.926 1.00 16.27 C ATOM 2515 CD2 PHE B 73 1.519 -4.745 14.362 1.00 19.79 C ATOM 2516 CE1 PHE B 73 3.717 -4.680 16.096 1.00 20.44 C ATOM 2517 CE2 PHE B 73 1.511 -5.513 15.532 1.00 18.68 C ATOM 2518 CZ PHE B 73 2.609 -5.481 16.399 1.00 17.88 C ATOM 0 H PHE B 73 2.229 0.190 13.035 1.00 14.56 H new ATOM 0 HA PHE B 73 3.741 -1.769 14.048 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.631 -3.054 12.383 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.266 -3.586 12.045 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.581 -3.295 14.692 1.00 16.27 H new ATOM 0 HD2 PHE B 73 0.671 -4.770 13.693 1.00 19.79 H new ATOM 0 HE1 PHE B 73 4.564 -4.655 16.765 1.00 20.44 H new ATOM 0 HE2 PHE B 73 0.657 -6.131 15.766 1.00 18.68 H new ATOM 0 HZ PHE B 73 2.602 -6.074 17.302 1.00 17.88 H new ATOM 2528 N GLY B 74 3.427 -0.606 10.993 1.00 13.82 N ATOM 2529 CA GLY B 74 4.214 -0.096 9.838 1.00 13.44 C ATOM 2530 C GLY B 74 4.146 1.432 9.809 1.00 10.42 C ATOM 2531 O GLY B 74 4.986 2.112 10.364 1.00 13.62 O ATOM 0 H GLY B 74 2.423 -0.433 10.944 1.00 13.82 H new ATOM 0 HA2 GLY B 74 5.251 -0.423 9.918 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.821 -0.506 8.907 1.00 13.44 H new ATOM 2535 N SER B 75 3.149 1.978 9.167 1.00 12.64 N ATOM 2536 CA SER B 75 3.028 3.461 9.105 1.00 12.47 C ATOM 2537 C SER B 75 1.818 3.842 8.250 1.00 12.47 C ATOM 2538 O SER B 75 1.171 3.000 7.660 1.00 11.32 O ATOM 2539 CB SER B 75 4.295 4.050 8.484 1.00 11.21 C ATOM 2540 OG SER B 75 4.671 5.217 9.203 1.00 18.27 O ATOM 0 H SER B 75 2.414 1.461 8.684 1.00 12.64 H new ATOM 0 HA SER B 75 2.898 3.856 10.113 1.00 12.47 H new ATOM 0 HB2 SER B 75 5.101 3.317 8.510 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.121 4.295 7.436 1.00 11.21 H new ATOM 0 HG SER B 75 5.506 5.048 9.687 1.00 18.27 H new ATOM 2546 N LEU B 76 1.510 5.106 8.183 1.00 12.43 N ATOM 2547 CA LEU B 76 0.343 5.552 7.370 1.00 12.18 C ATOM 2548 C LEU B 76 0.341 4.817 6.026 1.00 12.07 C ATOM 2549 O LEU B 76 1.378 4.512 5.472 1.00 9.82 O ATOM 2550 CB LEU B 76 0.444 7.061 7.129 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.708 7.520 6.233 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -1.912 7.894 7.101 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.264 8.740 5.422 1.00 7.80 C ATOM 0 H LEU B 76 2.017 5.853 8.658 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.581 5.327 7.903 1.00 12.18 H new ATOM 0 HB2 LEU B 76 0.412 7.593 8.080 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.399 7.301 6.661 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.987 6.713 5.555 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -2.733 8.221 6.463 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -2.226 7.026 7.680 1.00 9.28 H new ATOM 0 HD13 LEU B 76 -1.635 8.702 7.779 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.083 9.069 4.782 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.014 9.547 6.101 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.594 8.474 4.805 1.00 7.80 H new ATOM 2565 N MET B 77 -0.819 4.536 5.499 1.00 14.08 N ATOM 2566 CA MET B 77 -0.897 3.826 4.191 1.00 14.12 C ATOM 2567 C MET B 77 -2.193 4.225 3.480 1.00 11.37 C ATOM 2568 O MET B 77 -3.178 4.559 4.106 1.00 11.44 O ATOM 2569 CB MET B 77 -0.885 2.314 4.427 1.00 16.48 C ATOM 2570 CG MET B 77 0.531 1.866 4.796 1.00 24.75 C ATOM 2571 SD MET B 77 0.847 0.225 4.100 1.00 35.11 S ATOM 2572 CE MET B 77 2.654 0.287 4.183 1.00 33.86 C ATOM 0 H MET B 77 -1.719 4.768 5.919 1.00 14.08 H new ATOM 0 HA MET B 77 -0.041 4.099 3.573 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.580 2.054 5.226 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.221 1.793 3.531 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.261 2.581 4.415 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.645 1.841 5.880 1.00 24.75 H new ATOM 0 HE1 MET B 77 3.068 -0.644 3.796 1.00 33.86 H new ATOM 0 HE2 MET B 77 3.017 1.123 3.585 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.966 0.420 5.219 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.196 4.200 2.176 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.425 4.587 1.425 1.00 11.62 C ATOM 2584 C ILE B 78 -4.450 3.450 1.459 1.00 11.45 C ATOM 2585 O ILE B 78 -4.122 2.295 1.274 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.065 4.865 -0.029 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.992 5.954 -0.101 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.316 5.316 -0.788 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.979 5.599 -1.190 1.00 13.67 C ATOM 0 H ILE B 78 -1.401 3.928 1.597 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.849 5.477 1.890 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.676 3.954 -0.484 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.451 6.919 -0.317 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.489 6.049 0.862 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.058 5.515 -1.828 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.071 4.531 -0.745 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.711 6.224 -0.332 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.214 6.374 -1.242 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.511 4.643 -0.954 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.488 5.527 -2.151 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.694 3.779 1.663 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.762 2.737 1.675 1.00 14.79 C ATOM 2603 C ASP B 79 -7.536 2.842 0.361 1.00 15.20 C ATOM 2604 O ASP B 79 -8.099 1.887 -0.136 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.707 2.981 2.854 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.874 1.994 2.788 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.828 2.283 2.085 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.793 0.967 3.442 1.00 21.87 O ATOM 0 H ASP B 79 -6.021 4.732 1.823 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.325 1.744 1.779 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.170 2.862 3.795 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.081 4.004 2.828 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.539 4.015 -0.203 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.232 4.263 -1.494 1.00 17.14 C ATOM 2615 C ARG B 80 -8.043 5.738 -1.825 1.00 14.98 C ATOM 2616 O ARG B 80 -8.953 6.538 -1.746 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.722 3.930 -1.379 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.238 3.425 -2.729 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.155 4.477 -3.354 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.573 4.003 -3.299 1.00 33.10 N ATOM 2621 CZ ARG B 80 -12.904 2.806 -3.712 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.045 2.060 -4.357 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.122 2.374 -3.529 1.00 35.04 N ATOM 0 H ARG B 80 -7.076 4.835 0.189 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.818 3.631 -2.280 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.878 3.172 -0.611 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.281 4.814 -1.072 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.401 3.216 -3.395 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.780 2.489 -2.595 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.056 5.423 -2.821 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.862 4.661 -4.388 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.295 4.624 -2.933 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.105 2.409 -4.543 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -12.315 1.129 -4.674 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.810 2.968 -3.066 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -14.386 1.442 -3.849 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.834 6.083 -2.153 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.469 7.490 -2.464 1.00 11.27 C ATOM 2639 C LEU B 81 -7.651 8.263 -3.069 1.00 15.61 C ATOM 2640 O LEU B 81 -8.188 7.901 -4.097 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.271 7.471 -3.417 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.741 7.520 -4.866 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.521 7.590 -5.788 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.544 6.251 -5.174 1.00 18.72 C ATOM 0 H LEU B 81 -6.057 5.426 -2.221 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.204 8.010 -1.543 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.621 8.321 -3.210 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.680 6.570 -3.250 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.368 8.398 -5.025 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.851 7.625 -6.826 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.944 8.486 -5.560 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.898 6.709 -5.635 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.884 6.278 -6.209 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.913 5.375 -5.022 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.407 6.196 -4.510 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.047 9.336 -2.434 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.179 10.148 -2.966 1.00 12.72 C ATOM 2658 C ARG B 82 -8.617 11.244 -3.873 1.00 13.33 C ATOM 2659 O ARG B 82 -8.106 12.245 -3.412 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.944 10.788 -1.806 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.420 10.395 -1.889 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.286 11.656 -1.917 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.694 11.298 -1.586 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.552 12.230 -1.268 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.181 13.482 -1.238 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.784 11.910 -0.981 1.00 16.89 N ATOM 0 H ARG B 82 -7.634 9.684 -1.569 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.857 9.509 -3.531 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.523 10.462 -0.855 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.843 11.873 -1.844 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.598 9.799 -2.784 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.690 9.775 -1.034 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.907 12.386 -1.202 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.239 12.121 -2.902 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.989 10.322 -1.608 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.219 13.734 -1.463 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.854 14.207 -0.989 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -16.076 10.933 -1.005 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.455 12.637 -0.732 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.690 11.054 -5.160 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.141 12.076 -6.099 1.00 13.86 C ATOM 2682 C LEU B 83 -8.997 13.339 -6.090 1.00 13.02 C ATOM 2683 O LEU B 83 -10.203 13.296 -5.953 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.116 11.523 -7.522 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.689 11.561 -8.077 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.733 11.347 -9.594 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.060 12.925 -7.779 1.00 10.58 C ATOM 0 H LEU B 83 -9.106 10.236 -5.604 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.131 12.319 -5.770 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.490 10.499 -7.529 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.778 12.109 -8.160 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.095 10.776 -7.609 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.720 11.373 -9.995 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.185 10.379 -9.812 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.326 12.136 -10.056 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.044 12.952 -8.174 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.653 13.710 -8.249 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.034 13.086 -6.701 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.363 14.464 -6.250 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.086 15.753 -6.273 1.00 12.86 C ATOM 2701 C VAL B 84 -8.321 16.700 -7.203 1.00 14.98 C ATOM 2702 O VAL B 84 -7.142 16.521 -7.413 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.104 16.320 -4.856 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.771 15.316 -3.914 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.667 16.578 -4.393 1.00 17.34 C ATOM 0 H VAL B 84 -7.353 14.541 -6.368 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.110 15.630 -6.626 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.663 17.255 -4.845 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.784 15.720 -2.902 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.793 15.131 -4.244 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.211 14.381 -3.924 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.678 16.983 -3.381 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.108 15.642 -4.403 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.191 17.292 -5.065 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.997 17.687 -7.723 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.370 18.675 -8.616 1.00 22.41 C ATOM 2717 C PRO B 85 -7.299 19.469 -7.853 1.00 25.70 C ATOM 2718 O PRO B 85 -7.467 19.805 -6.698 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.540 19.544 -9.082 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.658 19.329 -8.050 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.423 17.926 -7.462 1.00 20.63 C ATOM 0 HA PRO B 85 -7.846 18.236 -9.465 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.251 20.594 -9.133 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.868 19.255 -10.080 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.622 20.090 -7.271 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.640 19.397 -8.518 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.648 17.893 -6.396 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.052 17.177 -7.944 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.188 19.749 -8.486 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.091 20.493 -7.799 1.00 39.94 C ATOM 2731 C ALA B 86 -5.502 21.953 -7.604 1.00 46.96 C ATOM 2732 O ALA B 86 -5.738 22.674 -8.554 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.822 20.428 -8.656 1.00 39.70 C ATOM 0 H ALA B 86 -5.994 19.493 -9.454 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.899 20.041 -6.826 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.018 20.970 -8.158 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.528 19.387 -8.792 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.016 20.880 -9.629 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.590 22.396 -6.381 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.986 23.810 -6.127 1.00 55.12 C ATOM 2741 C LYS B 87 -4.978 24.749 -6.795 1.00 55.82 C ATOM 2742 O LYS B 87 -3.793 24.476 -6.702 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.003 24.071 -4.620 1.00 52.96 C ATOM 2744 CG LYS B 87 -4.575 24.009 -4.074 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.615 23.764 -2.565 1.00 56.64 C ATOM 2746 CE LYS B 87 -3.698 22.592 -2.212 1.00 58.91 C ATOM 2747 NZ LYS B 87 -2.829 22.971 -1.063 1.00 58.16 N ATOM 2748 OXT LYS B 87 -5.410 25.724 -7.388 1.00 57.66 O ATOM 0 H LYS B 87 -5.405 21.840 -5.546 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.979 23.989 -6.539 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.440 25.048 -4.415 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.627 23.331 -4.119 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -4.020 23.211 -4.568 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -4.052 24.941 -4.288 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -4.298 24.660 -2.032 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -5.635 23.549 -2.248 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -4.293 21.715 -1.958 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -3.085 22.324 -3.073 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -2.205 22.175 -0.822 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -2.252 23.797 -1.322 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -3.422 23.206 -0.242 1.00 58.16 H new