USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=33 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 10 GLN : amide:sc= -12.3! C(o=-21!,f=-25!) USER MOD Set 1.2: B 31 GLN : amide:sc= -9.13! C(o=-21!,f=-31!) USER MOD Set 2.1: B 15 THR OG1 : rot -59:sc= 0.00257 USER MOD Set 2.2: B 29 ASN : amide:sc= -7.89! C(o=-7.9!,f=-8.5!) USER MOD Set 3.1: B 1 MET CE :methyl 144:sc= -0.156 (180deg=-1.57!) USER MOD Set 3.2: B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 15 THR OG1 : rot -57:sc= 0.00242 USER MOD Set 4.2: A 29 ASN : amide:sc= -7.62! C(o=-7.6!,f=-8.6!) USER MOD Set 5.1: A 10 GLN : amide:sc= -12.2! C(o=-21!,f=-25!) USER MOD Set 5.2: A 31 GLN : amide:sc= -8.87! C(o=-21!,f=-31!) USER MOD Set 6.1: A 1 MET CE :methyl 145:sc= -0.223 (180deg=-1.51!) USER MOD Set 6.2: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -122:sc= -0.598 (180deg=-2.97!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 33 CYS SG : rot 140:sc= -6.69! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 41 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-0.94) USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -1 (180deg=-3.38!) USER MOD Single : A 48 THR OG1 : rot -19:sc= 0.126 USER MOD Single : A 53 GLN : amide:sc= -0.537 K(o=-0.54,f=-3.3!) USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 61 TYR OH : rot -5:sc= 0.678 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A 64 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -128:sc= -1.28! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.21) USER MOD Single : A 75 SER OG : rot -23:sc= 0.31 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc=-0.00929 (180deg=-0.19) USER MOD Single : B 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Single : B 7 LYS NZ :NH3+ -120:sc= -0.627 (180deg=-3.06!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0015 USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : B 33 CYS SG : rot 134:sc= -6.46! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : B 41 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-0.94) USER MOD Single : B 46 LYS NZ :NH3+ -111:sc= -1.02 (180deg=-3.33!) USER MOD Single : B 48 THR OG1 : rot -18:sc= 0.122 USER MOD Single : B 53 GLN : amide:sc= -0.54 K(o=-0.54,f=-3.2!) USER MOD Single : B 56 TYR OH : rot 163:sc= -0.0269 USER MOD Single : B 61 TYR OH : rot -13:sc= 0.55 USER MOD Single : B 62 THR OG1 : rot 180:sc= -2.41! USER MOD Single : B 64 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-3.8!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -131:sc= -1.37! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.21) USER MOD Single : B 75 SER OG : rot -27:sc= 0.367 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ -158:sc= -0.0182 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.709 16.565 2.098 1.00 42.32 N ATOM 2 CA MET A 1 -0.399 16.854 2.748 1.00 40.89 C ATOM 3 C MET A 1 -0.040 15.710 3.698 1.00 34.75 C ATOM 4 O MET A 1 1.062 15.200 3.685 1.00 33.97 O ATOM 5 CB MET A 1 -0.500 18.164 3.539 1.00 48.45 C ATOM 6 CG MET A 1 0.673 18.277 4.521 1.00 56.13 C ATOM 7 SD MET A 1 1.526 19.852 4.258 1.00 64.91 S ATOM 8 CE MET A 1 0.090 20.928 4.492 1.00 63.43 C ATOM 0 H1 MET A 1 -1.955 17.342 1.452 1.00 42.32 H new ATOM 0 H2 MET A 1 -1.642 15.676 1.562 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.446 16.475 2.827 1.00 42.32 H new ATOM 0 HA MET A 1 0.374 16.949 1.985 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.495 19.013 2.855 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.444 18.198 4.082 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.310 18.214 5.547 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.365 17.447 4.376 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.403 21.852 4.979 1.00 63.43 H new ATOM 0 HE2 MET A 1 -0.352 21.160 3.523 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.647 20.421 5.115 1.00 63.43 H new ATOM 20 N ILE A 2 -0.961 15.318 4.534 1.00 28.59 N ATOM 21 CA ILE A 2 -0.675 14.222 5.503 1.00 24.58 C ATOM 22 C ILE A 2 0.207 14.799 6.608 1.00 19.29 C ATOM 23 O ILE A 2 1.416 14.710 6.559 1.00 19.53 O ATOM 24 CB ILE A 2 0.054 13.076 4.800 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.596 12.801 3.444 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.035 11.815 5.657 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.465 12.289 2.475 1.00 33.80 C ATOM 0 H ILE A 2 -1.901 15.710 4.588 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.603 13.830 5.919 1.00 24.58 H new ATOM 0 HB ILE A 2 1.098 13.355 4.655 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.393 12.065 3.552 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.053 13.711 3.055 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.484 10.998 5.157 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.428 12.000 6.626 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.081 11.546 5.801 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.007 12.091 1.506 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.246 13.040 2.361 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.901 11.369 2.865 1.00 33.80 H new ATOM 39 N LYS A 3 -0.390 15.428 7.580 1.00 18.14 N ATOM 40 CA LYS A 3 0.411 16.065 8.664 1.00 16.66 C ATOM 41 C LYS A 3 0.861 15.050 9.712 1.00 14.94 C ATOM 42 O LYS A 3 0.481 13.896 9.699 1.00 13.94 O ATOM 43 CB LYS A 3 -0.426 17.154 9.336 1.00 16.94 C ATOM 44 CG LYS A 3 -0.596 18.331 8.373 1.00 17.85 C ATOM 45 CD LYS A 3 -1.553 19.357 8.981 1.00 19.63 C ATOM 46 CE LYS A 3 -0.775 20.620 9.358 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.928 21.637 8.280 1.00 32.72 N ATOM 0 H LYS A 3 -1.401 15.529 7.672 1.00 18.14 H new ATOM 0 HA LYS A 3 1.305 16.495 8.213 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.401 16.757 9.618 1.00 16.94 H new ATOM 0 HB3 LYS A 3 0.060 17.487 10.253 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.371 18.794 8.174 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.984 17.979 7.417 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.341 19.602 8.269 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.039 18.939 9.863 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.143 21.018 10.303 1.00 26.28 H new ATOM 0 HE3 LYS A 3 0.279 20.382 9.501 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.400 22.496 8.535 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -0.557 21.255 7.387 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -1.935 21.872 8.164 1.00 32.72 H new ATOM 61 N VAL A 4 1.684 15.500 10.622 1.00 12.42 N ATOM 62 CA VAL A 4 2.202 14.613 11.697 1.00 12.99 C ATOM 63 C VAL A 4 3.140 15.424 12.596 1.00 14.26 C ATOM 64 O VAL A 4 3.526 16.530 12.277 1.00 13.80 O ATOM 65 CB VAL A 4 2.957 13.428 11.062 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.612 13.883 9.761 1.00 14.46 C ATOM 67 CG2 VAL A 4 4.040 12.899 12.016 1.00 10.41 C ATOM 0 H VAL A 4 2.023 16.461 10.664 1.00 12.42 H new ATOM 0 HA VAL A 4 1.379 14.223 12.295 1.00 12.99 H new ATOM 0 HB VAL A 4 2.244 12.628 10.863 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.146 13.046 9.311 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.845 14.237 9.072 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.313 14.691 9.970 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.560 12.063 11.548 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.753 13.694 12.234 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.576 12.564 12.943 1.00 10.41 H new ATOM 77 N GLU A 5 3.502 14.877 13.720 1.00 9.27 N ATOM 78 CA GLU A 5 4.409 15.603 14.650 1.00 10.51 C ATOM 79 C GLU A 5 5.383 14.619 15.278 1.00 10.00 C ATOM 80 O GLU A 5 5.011 13.767 16.060 1.00 10.96 O ATOM 81 CB GLU A 5 3.584 16.272 15.748 1.00 10.42 C ATOM 82 CG GLU A 5 3.074 17.618 15.241 1.00 18.68 C ATOM 83 CD GLU A 5 2.310 18.333 16.358 1.00 18.63 C ATOM 84 OE1 GLU A 5 2.678 18.155 17.507 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.370 19.045 16.044 1.00 19.38 O ATOM 0 H GLU A 5 3.207 13.953 14.037 1.00 9.27 H new ATOM 0 HA GLU A 5 4.963 16.362 14.098 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.746 15.634 16.030 1.00 10.42 H new ATOM 0 HB3 GLU A 5 4.192 16.413 16.642 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.910 18.233 14.908 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.424 17.470 14.379 1.00 18.68 H new ATOM 92 N ILE A 6 6.634 14.739 14.951 1.00 9.86 N ATOM 93 CA ILE A 6 7.636 13.816 15.553 1.00 10.60 C ATOM 94 C ILE A 6 7.798 14.210 17.030 1.00 10.16 C ATOM 95 O ILE A 6 8.406 15.212 17.352 1.00 11.64 O ATOM 96 CB ILE A 6 8.974 13.910 14.777 1.00 9.14 C ATOM 97 CG1 ILE A 6 9.088 12.712 13.830 1.00 14.23 C ATOM 98 CG2 ILE A 6 10.165 13.889 15.732 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.459 13.062 12.481 1.00 13.81 C ATOM 0 H ILE A 6 7.007 15.429 14.299 1.00 9.86 H new ATOM 0 HA ILE A 6 7.308 12.778 15.491 1.00 10.60 H new ATOM 0 HB ILE A 6 8.984 14.848 14.221 1.00 9.14 H new ATOM 0 HG12 ILE A 6 10.135 12.441 13.695 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.588 11.845 14.262 1.00 14.23 H new ATOM 0 HG21 ILE A 6 11.091 13.956 15.161 1.00 12.29 H new ATOM 0 HG22 ILE A 6 10.098 14.735 16.416 1.00 12.29 H new ATOM 0 HG23 ILE A 6 10.157 12.960 16.303 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.541 12.208 11.809 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.408 13.312 12.624 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.979 13.916 12.048 1.00 13.81 H new ATOM 111 N LYS A 7 7.238 13.437 17.926 1.00 11.63 N ATOM 112 CA LYS A 7 7.331 13.767 19.375 1.00 11.59 C ATOM 113 C LYS A 7 8.789 14.019 19.765 1.00 12.98 C ATOM 114 O LYS A 7 9.696 13.618 19.064 1.00 9.79 O ATOM 115 CB LYS A 7 6.791 12.587 20.184 1.00 12.52 C ATOM 116 CG LYS A 7 5.413 12.924 20.759 1.00 14.26 C ATOM 117 CD LYS A 7 4.546 13.614 19.703 1.00 15.70 C ATOM 118 CE LYS A 7 4.195 15.021 20.176 1.00 19.19 C ATOM 119 NZ LYS A 7 4.665 16.019 19.174 1.00 25.43 N ATOM 0 H LYS A 7 6.718 12.586 17.711 1.00 11.63 H new ATOM 0 HA LYS A 7 6.749 14.665 19.580 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.722 11.703 19.549 1.00 12.52 H new ATOM 0 HB3 LYS A 7 7.481 12.345 20.993 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.923 12.013 21.102 1.00 14.26 H new ATOM 0 HG3 LYS A 7 5.524 13.573 21.628 1.00 14.26 H new ATOM 0 HD2 LYS A 7 5.078 13.660 18.753 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.636 13.039 19.531 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.118 15.110 20.315 1.00 19.19 H new ATOM 0 HE3 LYS A 7 4.658 15.216 21.143 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 5.320 16.686 19.629 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 5.154 15.528 18.399 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.849 16.540 18.794 1.00 25.43 H new ATOM 133 N PRO A 8 8.966 14.664 20.891 1.00 13.56 N ATOM 134 CA PRO A 8 10.301 14.971 21.424 1.00 11.93 C ATOM 135 C PRO A 8 10.896 13.707 22.041 1.00 10.20 C ATOM 136 O PRO A 8 12.090 13.590 22.230 1.00 12.05 O ATOM 137 CB PRO A 8 10.033 16.043 22.484 1.00 12.78 C ATOM 138 CG PRO A 8 8.549 15.890 22.891 1.00 12.51 C ATOM 139 CD PRO A 8 7.853 15.143 21.736 1.00 13.61 C ATOM 0 HA PRO A 8 11.011 15.316 20.673 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.688 15.910 23.345 1.00 12.78 H new ATOM 0 HB3 PRO A 8 10.226 17.039 22.087 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.458 15.333 23.824 1.00 12.51 H new ATOM 0 HG3 PRO A 8 8.089 16.865 23.055 1.00 12.51 H new ATOM 0 HD2 PRO A 8 7.248 14.315 22.105 1.00 13.61 H new ATOM 0 HD3 PRO A 8 7.186 15.802 21.180 1.00 13.61 H new ATOM 147 N SER A 9 10.059 12.752 22.335 1.00 10.65 N ATOM 148 CA SER A 9 10.551 11.476 22.916 1.00 10.83 C ATOM 149 C SER A 9 10.819 10.489 21.776 1.00 10.94 C ATOM 150 O SER A 9 11.099 9.328 21.997 1.00 13.16 O ATOM 151 CB SER A 9 9.493 10.898 23.858 1.00 13.01 C ATOM 152 OG SER A 9 8.726 9.924 23.163 1.00 15.52 O ATOM 0 H SER A 9 9.050 12.803 22.196 1.00 10.65 H new ATOM 0 HA SER A 9 11.468 11.653 23.478 1.00 10.83 H new ATOM 0 HB2 SER A 9 9.971 10.448 24.728 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.845 11.693 24.226 1.00 13.01 H new ATOM 0 HG SER A 9 8.048 9.551 23.765 1.00 15.52 H new ATOM 158 N GLN A 10 10.749 10.952 20.554 1.00 10.02 N ATOM 159 CA GLN A 10 11.013 10.051 19.395 1.00 11.55 C ATOM 160 C GLN A 10 11.649 10.859 18.263 1.00 13.72 C ATOM 161 O GLN A 10 11.351 10.661 17.101 1.00 17.31 O ATOM 162 CB GLN A 10 9.716 9.403 18.893 1.00 6.60 C ATOM 163 CG GLN A 10 8.531 10.326 19.143 1.00 7.20 C ATOM 164 CD GLN A 10 7.759 10.529 17.838 1.00 10.36 C ATOM 165 OE1 GLN A 10 6.553 10.384 17.803 1.00 13.01 O ATOM 166 NE2 GLN A 10 8.408 10.862 16.756 1.00 4.80 N ATOM 0 H GLN A 10 10.520 11.916 20.310 1.00 10.02 H new ATOM 0 HA GLN A 10 11.689 9.260 19.719 1.00 11.55 H new ATOM 0 HB2 GLN A 10 9.798 9.187 17.828 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.557 8.451 19.400 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.877 9.898 19.902 1.00 7.20 H new ATOM 0 HG3 GLN A 10 8.878 11.286 19.526 1.00 7.20 H new ATOM 0 HE21 GLN A 10 9.420 10.984 16.786 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.903 11.001 15.881 1.00 4.80 H new ATOM 175 N ALA A 11 12.523 11.771 18.592 1.00 15.28 N ATOM 176 CA ALA A 11 13.176 12.595 17.535 1.00 18.95 C ATOM 177 C ALA A 11 14.485 11.934 17.099 1.00 20.75 C ATOM 178 O ALA A 11 15.247 12.487 16.332 1.00 24.78 O ATOM 179 CB ALA A 11 13.468 13.993 18.084 1.00 17.72 C ATOM 0 H ALA A 11 12.813 11.981 19.547 1.00 15.28 H new ATOM 0 HA ALA A 11 12.509 12.673 16.677 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.945 14.595 17.311 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.535 14.467 18.388 1.00 17.72 H new ATOM 0 HB3 ALA A 11 14.132 13.914 18.945 1.00 17.72 H new ATOM 185 N GLN A 12 14.747 10.752 17.578 1.00 22.50 N ATOM 186 CA GLN A 12 16.002 10.050 17.191 1.00 25.43 C ATOM 187 C GLN A 12 15.660 8.653 16.674 1.00 22.80 C ATOM 188 O GLN A 12 14.634 8.094 17.007 1.00 20.93 O ATOM 189 CB GLN A 12 16.918 9.932 18.409 1.00 30.18 C ATOM 190 CG GLN A 12 17.784 11.187 18.511 1.00 42.11 C ATOM 191 CD GLN A 12 18.770 11.037 19.671 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.532 11.535 20.753 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.876 10.368 19.490 1.00 47.90 N ATOM 0 H GLN A 12 14.145 10.240 18.223 1.00 22.50 H new ATOM 0 HA GLN A 12 16.510 10.615 16.410 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.324 9.811 19.315 1.00 30.18 H new ATOM 0 HB3 GLN A 12 17.548 9.047 18.320 1.00 30.18 H new ATOM 0 HG2 GLN A 12 18.325 11.344 17.578 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.155 12.064 18.666 1.00 42.11 H new ATOM 0 HE21 GLN A 12 20.076 9.950 18.582 1.00 47.90 H new ATOM 0 HE22 GLN A 12 20.540 10.263 20.257 1.00 47.90 H new ATOM 202 N PHE A 13 16.506 8.083 15.862 1.00 21.61 N ATOM 203 CA PHE A 13 16.218 6.728 15.331 1.00 20.51 C ATOM 204 C PHE A 13 16.937 5.687 16.182 1.00 18.83 C ATOM 205 O PHE A 13 17.886 5.986 16.879 1.00 18.83 O ATOM 206 CB PHE A 13 16.736 6.633 13.901 1.00 19.56 C ATOM 207 CG PHE A 13 18.212 6.957 13.907 1.00 19.62 C ATOM 208 CD1 PHE A 13 19.145 5.973 14.251 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.646 8.249 13.582 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.510 6.282 14.265 1.00 20.75 C ATOM 211 CE2 PHE A 13 20.007 8.556 13.597 1.00 14.07 C ATOM 212 CZ PHE A 13 20.938 7.576 13.937 1.00 18.48 C ATOM 0 H PHE A 13 17.382 8.498 15.545 1.00 21.61 H new ATOM 0 HA PHE A 13 15.143 6.548 15.355 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.569 5.632 13.503 1.00 19.56 H new ATOM 0 HB3 PHE A 13 16.198 7.327 13.256 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.813 4.977 14.505 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.925 9.009 13.319 1.00 15.55 H new ATOM 0 HE1 PHE A 13 21.233 5.524 14.528 1.00 20.75 H new ATOM 0 HE2 PHE A 13 20.339 9.552 13.345 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.991 7.814 13.948 1.00 18.48 H new ATOM 222 N THR A 14 16.505 4.463 16.118 1.00 14.89 N ATOM 223 CA THR A 14 17.177 3.400 16.908 1.00 13.37 C ATOM 224 C THR A 14 17.549 2.255 15.974 1.00 11.97 C ATOM 225 O THR A 14 17.012 2.123 14.892 1.00 10.76 O ATOM 226 CB THR A 14 16.235 2.882 17.995 1.00 13.68 C ATOM 227 OG1 THR A 14 16.897 1.878 18.751 1.00 13.48 O ATOM 228 CG2 THR A 14 14.983 2.291 17.348 1.00 9.24 C ATOM 0 H THR A 14 15.715 4.152 15.553 1.00 14.89 H new ATOM 0 HA THR A 14 18.072 3.807 17.379 1.00 13.37 H new ATOM 0 HB THR A 14 15.949 3.704 18.651 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.296 1.545 19.450 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.312 1.922 18.124 1.00 9.24 H new ATOM 0 HG22 THR A 14 14.476 3.061 16.766 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.266 1.468 16.692 1.00 9.24 H new ATOM 236 N THR A 15 18.461 1.424 16.380 1.00 13.20 N ATOM 237 CA THR A 15 18.860 0.288 15.512 1.00 12.54 C ATOM 238 C THR A 15 18.071 -0.952 15.924 1.00 14.34 C ATOM 239 O THR A 15 18.305 -1.534 16.964 1.00 17.35 O ATOM 240 CB THR A 15 20.354 0.021 15.675 1.00 11.88 C ATOM 241 OG1 THR A 15 21.023 1.240 15.968 1.00 17.15 O ATOM 242 CG2 THR A 15 20.905 -0.569 14.379 1.00 8.30 C ATOM 0 H THR A 15 18.947 1.482 17.275 1.00 13.20 H new ATOM 0 HA THR A 15 18.651 0.529 14.470 1.00 12.54 H new ATOM 0 HB THR A 15 20.514 -0.683 16.491 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.843 1.891 15.258 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.972 -0.761 14.491 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.390 -1.503 14.157 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.747 0.136 13.563 1.00 8.30 H new ATOM 435 N LEU A 28 18.106 -1.434 9.893 1.00 18.57 N ATOM 436 CA LEU A 28 18.311 -0.017 9.479 1.00 16.31 C ATOM 437 C LEU A 28 17.710 0.919 10.532 1.00 14.21 C ATOM 438 O LEU A 28 16.618 0.704 11.019 1.00 16.97 O ATOM 439 CB LEU A 28 17.629 0.224 8.132 1.00 16.48 C ATOM 440 CG LEU A 28 18.686 0.554 7.076 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.696 -0.537 6.002 1.00 24.00 C ATOM 442 CD2 LEU A 28 18.358 1.904 6.432 1.00 22.01 C ATOM 0 HA LEU A 28 19.379 0.182 9.387 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.066 -0.661 7.834 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.915 1.043 8.215 1.00 16.48 H new ATOM 0 HG LEU A 28 19.667 0.605 7.548 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.449 -0.301 5.250 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.930 -1.497 6.461 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.716 -0.591 5.529 1.00 24.00 H new ATOM 0 HD21 LEU A 28 19.110 2.140 5.679 1.00 22.01 H new ATOM 0 HD22 LEU A 28 17.377 1.853 5.961 1.00 22.01 H new ATOM 0 HD23 LEU A 28 18.353 2.681 7.197 1.00 22.01 H new ATOM 454 N ASN A 29 18.418 1.959 10.885 1.00 11.64 N ATOM 455 CA ASN A 29 17.893 2.913 11.905 1.00 9.77 C ATOM 456 C ASN A 29 16.416 3.207 11.623 1.00 7.94 C ATOM 457 O ASN A 29 16.023 3.451 10.500 1.00 10.52 O ATOM 458 CB ASN A 29 18.695 4.213 11.838 1.00 14.73 C ATOM 459 CG ASN A 29 20.067 3.997 12.479 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.206 3.206 13.391 1.00 23.31 O ATOM 461 ND2 ASN A 29 21.094 4.670 12.039 1.00 12.89 N ATOM 0 H ASN A 29 19.338 2.189 10.510 1.00 11.64 H new ATOM 0 HA ASN A 29 17.988 2.474 12.898 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.811 4.528 10.801 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.161 5.010 12.356 1.00 14.73 H new ATOM 0 HD21 ASN A 29 22.013 4.532 12.460 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.979 5.334 11.274 1.00 12.89 H new ATOM 468 N GLU A 30 15.596 3.187 12.639 1.00 8.58 N ATOM 469 CA GLU A 30 14.143 3.465 12.442 1.00 13.16 C ATOM 470 C GLU A 30 13.714 4.591 13.387 1.00 12.26 C ATOM 471 O GLU A 30 14.385 4.888 14.354 1.00 10.58 O ATOM 472 CB GLU A 30 13.339 2.202 12.759 1.00 14.93 C ATOM 473 CG GLU A 30 13.362 1.264 11.552 1.00 27.13 C ATOM 474 CD GLU A 30 11.935 1.052 11.044 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.076 0.755 11.857 1.00 40.03 O ATOM 476 OE2 GLU A 30 11.726 1.189 9.850 1.00 38.01 O ATOM 0 H GLU A 30 15.871 2.989 13.601 1.00 8.58 H new ATOM 0 HA GLU A 30 13.962 3.763 11.409 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.759 1.700 13.631 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.311 2.466 13.008 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.982 1.687 10.761 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.807 0.308 11.829 1.00 27.13 H new ATOM 483 N GLN A 31 12.600 5.218 13.119 1.00 10.34 N ATOM 484 CA GLN A 31 12.136 6.323 14.009 1.00 9.46 C ATOM 485 C GLN A 31 10.617 6.239 14.183 1.00 10.09 C ATOM 486 O GLN A 31 9.984 5.293 13.756 1.00 9.36 O ATOM 487 CB GLN A 31 12.503 7.675 13.386 1.00 7.25 C ATOM 488 CG GLN A 31 13.086 8.599 14.459 1.00 10.62 C ATOM 489 CD GLN A 31 12.088 9.717 14.767 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.952 9.455 15.111 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.466 10.961 14.657 1.00 12.39 N ATOM 0 H GLN A 31 11.993 5.014 12.325 1.00 10.34 H new ATOM 0 HA GLN A 31 12.619 6.228 14.981 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.227 7.532 12.584 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.620 8.132 12.940 1.00 7.25 H new ATOM 0 HG2 GLN A 31 13.303 8.031 15.364 1.00 10.62 H new ATOM 0 HG3 GLN A 31 14.029 9.024 14.115 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.419 11.181 14.368 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.808 11.714 14.860 1.00 12.39 H new ATOM 500 N LEU A 32 10.028 7.222 14.809 1.00 6.80 N ATOM 501 CA LEU A 32 8.552 7.201 15.014 1.00 10.34 C ATOM 502 C LEU A 32 7.959 8.547 14.579 1.00 9.02 C ATOM 503 O LEU A 32 8.678 9.482 14.287 1.00 11.15 O ATOM 504 CB LEU A 32 8.255 6.951 16.496 1.00 10.20 C ATOM 505 CG LEU A 32 9.061 5.743 16.977 1.00 16.38 C ATOM 506 CD1 LEU A 32 10.333 6.224 17.679 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.216 4.924 17.956 1.00 15.89 C ATOM 0 H LEU A 32 10.506 8.039 15.188 1.00 6.80 H new ATOM 0 HA LEU A 32 8.105 6.406 14.418 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.513 7.832 17.084 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.189 6.772 16.640 1.00 10.20 H new ATOM 0 HG LEU A 32 9.331 5.123 16.122 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.907 5.363 18.022 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.935 6.807 16.982 1.00 17.42 H new ATOM 0 HD13 LEU A 32 10.064 6.844 18.534 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.789 4.063 18.299 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.946 5.544 18.811 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.310 4.581 17.456 1.00 15.89 H new ATOM 519 N CYS A 33 6.656 8.654 14.526 1.00 9.68 N ATOM 520 CA CYS A 33 6.029 9.938 14.101 1.00 8.10 C ATOM 521 C CYS A 33 4.566 9.940 14.545 1.00 6.34 C ATOM 522 O CYS A 33 3.962 8.901 14.712 1.00 8.02 O ATOM 523 CB CYS A 33 6.094 10.095 12.572 1.00 8.88 C ATOM 524 SG CYS A 33 6.543 8.526 11.779 1.00 13.84 S ATOM 0 H CYS A 33 6.001 7.908 14.759 1.00 9.68 H new ATOM 0 HA CYS A 33 6.569 10.767 14.559 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.129 10.434 12.196 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.825 10.861 12.312 1.00 8.88 H new ATOM 0 HG CYS A 33 5.841 8.370 10.696 1.00 13.84 H new ATOM 530 N TYR A 34 3.992 11.094 14.741 1.00 7.35 N ATOM 531 CA TYR A 34 2.570 11.151 15.183 1.00 7.08 C ATOM 532 C TYR A 34 1.718 11.807 14.091 1.00 7.71 C ATOM 533 O TYR A 34 1.746 13.009 13.921 1.00 7.80 O ATOM 534 CB TYR A 34 2.475 11.998 16.451 1.00 8.67 C ATOM 535 CG TYR A 34 2.794 11.169 17.676 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.812 10.349 18.245 1.00 12.44 C ATOM 537 CD2 TYR A 34 4.062 11.250 18.262 1.00 13.61 C ATOM 538 CE1 TYR A 34 2.094 9.616 19.398 1.00 16.38 C ATOM 539 CE2 TYR A 34 4.346 10.510 19.414 1.00 17.22 C ATOM 540 CZ TYR A 34 3.360 9.697 19.982 1.00 16.83 C ATOM 541 OH TYR A 34 3.640 8.971 21.122 1.00 21.14 O ATOM 0 H TYR A 34 4.445 11.999 14.615 1.00 7.35 H new ATOM 0 HA TYR A 34 2.210 10.140 15.375 1.00 7.08 H new ATOM 0 HB2 TYR A 34 3.166 12.838 16.385 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.472 12.416 16.540 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.834 10.284 17.790 1.00 12.44 H new ATOM 0 HD2 TYR A 34 4.820 11.883 17.825 1.00 13.61 H new ATOM 0 HE1 TYR A 34 1.335 8.987 19.838 1.00 16.38 H new ATOM 0 HE2 TYR A 34 5.326 10.566 19.865 1.00 17.22 H new ATOM 0 HH TYR A 34 4.565 9.139 21.398 1.00 21.14 H new ATOM 551 N VAL A 35 0.958 11.044 13.351 1.00 9.44 N ATOM 552 CA VAL A 35 0.117 11.659 12.283 1.00 10.66 C ATOM 553 C VAL A 35 -1.150 12.250 12.906 1.00 10.57 C ATOM 554 O VAL A 35 -1.487 11.970 14.038 1.00 8.31 O ATOM 555 CB VAL A 35 -0.258 10.607 11.238 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.291 11.198 10.275 1.00 7.97 C ATOM 557 CG2 VAL A 35 0.998 10.210 10.458 1.00 9.86 C ATOM 0 H VAL A 35 0.883 10.031 13.438 1.00 9.44 H new ATOM 0 HA VAL A 35 0.683 12.452 11.795 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.679 9.729 11.729 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -1.561 10.451 9.528 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.181 11.493 10.832 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.868 12.071 9.778 1.00 7.97 H new ATOM 0 HG21 VAL A 35 0.740 9.460 9.710 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.412 11.089 9.963 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.738 9.798 11.145 1.00 9.86 H new ATOM 567 N ASP A 36 -1.849 13.074 12.175 1.00 8.58 N ATOM 568 CA ASP A 36 -3.083 13.693 12.716 1.00 11.48 C ATOM 569 C ASP A 36 -4.178 13.673 11.651 1.00 12.38 C ATOM 570 O ASP A 36 -5.274 13.208 11.887 1.00 11.89 O ATOM 571 CB ASP A 36 -2.796 15.139 13.105 1.00 16.17 C ATOM 572 CG ASP A 36 -2.232 15.189 14.526 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.931 14.773 15.435 1.00 25.89 O ATOM 574 OD2 ASP A 36 -1.110 15.644 14.682 1.00 15.67 O ATOM 0 H ASP A 36 -1.613 13.344 11.220 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.412 13.132 13.591 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.085 15.580 12.406 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.710 15.730 13.045 1.00 16.17 H new ATOM 579 N LEU A 37 -3.887 14.178 10.483 1.00 13.17 N ATOM 580 CA LEU A 37 -4.908 14.189 9.398 1.00 18.47 C ATOM 581 C LEU A 37 -5.643 12.854 9.391 1.00 21.14 C ATOM 582 O LEU A 37 -6.852 12.792 9.284 1.00 24.24 O ATOM 583 CB LEU A 37 -4.212 14.377 8.050 1.00 15.81 C ATOM 584 CG LEU A 37 -5.203 14.895 6.997 1.00 20.59 C ATOM 585 CD1 LEU A 37 -6.622 14.377 7.273 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.208 16.425 7.017 1.00 20.01 C ATOM 0 H LEU A 37 -2.985 14.584 10.234 1.00 13.17 H new ATOM 0 HA LEU A 37 -5.613 15.003 9.567 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.386 15.080 8.156 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -3.785 13.430 7.720 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.889 14.532 6.018 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -7.303 14.759 6.513 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -6.623 13.287 7.247 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -6.948 14.717 8.256 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -5.910 16.796 6.271 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.509 16.775 8.004 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -4.208 16.795 6.790 1.00 20.01 H new ATOM 598 N GLY A 38 -4.914 11.785 9.502 1.00 20.70 N ATOM 599 CA GLY A 38 -5.551 10.442 9.501 1.00 23.91 C ATOM 600 C GLY A 38 -5.933 10.054 10.930 1.00 26.50 C ATOM 601 O GLY A 38 -5.916 8.894 11.292 1.00 31.02 O ATOM 0 H GLY A 38 -3.898 11.782 9.594 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -6.437 10.449 8.866 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -4.866 9.704 9.084 1.00 23.91 H new ATOM 605 N ASN A 39 -6.279 11.017 11.745 1.00 27.64 N ATOM 606 CA ASN A 39 -6.662 10.709 13.153 1.00 30.27 C ATOM 607 C ASN A 39 -6.563 11.980 14.002 1.00 26.79 C ATOM 608 O ASN A 39 -5.499 12.545 14.165 1.00 26.87 O ATOM 609 CB ASN A 39 -5.718 9.645 13.722 1.00 35.62 C ATOM 610 CG ASN A 39 -4.294 9.907 13.226 1.00 41.31 C ATOM 611 OD1 ASN A 39 -3.680 10.888 13.596 1.00 43.23 O ATOM 612 ND2 ASN A 39 -3.737 9.064 12.398 1.00 39.63 N ATOM 0 H ASN A 39 -6.312 12.005 11.494 1.00 27.64 H new ATOM 0 HA ASN A 39 -7.686 10.336 13.173 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.744 9.666 14.811 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -6.045 8.652 13.414 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -2.788 9.230 12.063 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -4.251 8.240 12.086 1.00 39.63 H new ATOM 619 N GLU A 40 -7.663 12.432 14.544 1.00 25.15 N ATOM 620 CA GLU A 40 -7.637 13.662 15.382 1.00 23.81 C ATOM 621 C GLU A 40 -6.418 13.629 16.297 1.00 21.12 C ATOM 622 O GLU A 40 -5.513 14.432 16.180 1.00 19.86 O ATOM 623 CB GLU A 40 -8.915 13.738 16.224 1.00 27.22 C ATOM 624 CG GLU A 40 -9.795 14.878 15.711 1.00 34.87 C ATOM 625 CD GLU A 40 -9.605 16.109 16.599 1.00 38.97 C ATOM 626 OE1 GLU A 40 -8.596 16.777 16.444 1.00 42.34 O ATOM 627 OE2 GLU A 40 -10.472 16.363 17.419 1.00 39.54 O ATOM 0 H GLU A 40 -8.581 11.999 14.441 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.580 14.539 14.737 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.456 12.793 16.169 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.664 13.901 17.272 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.535 15.117 14.680 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.841 14.573 15.713 1.00 34.87 H new ATOM 634 N HIS A 41 -6.383 12.694 17.192 1.00 3.41 N ATOM 635 CA HIS A 41 -5.216 12.580 18.111 1.00 3.22 C ATOM 636 C HIS A 41 -4.008 12.140 17.286 1.00 2.88 C ATOM 637 O HIS A 41 -4.168 11.668 16.178 1.00 2.37 O ATOM 638 CB HIS A 41 -5.512 11.534 19.189 1.00 3.49 C ATOM 639 CG HIS A 41 -6.898 11.749 19.735 1.00 3.48 C ATOM 640 ND1 HIS A 41 -7.491 13.000 19.773 1.00 3.77 N ATOM 641 CD2 HIS A 41 -7.818 10.881 20.270 1.00 3.31 C ATOM 642 CE1 HIS A 41 -8.714 12.853 20.315 1.00 3.77 C ATOM 643 NE2 HIS A 41 -8.964 11.580 20.636 1.00 3.51 N ATOM 0 H HIS A 41 -7.114 11.997 17.332 1.00 3.41 H new ATOM 0 HA HIS A 41 -5.017 13.536 18.595 1.00 3.22 H new ATOM 0 HB2 HIS A 41 -5.427 10.531 18.770 1.00 3.49 H new ATOM 0 HB3 HIS A 41 -4.779 11.607 19.992 1.00 3.49 H new ATOM 0 HD2 HIS A 41 -7.674 9.817 20.389 1.00 3.31 H new ATOM 0 HE1 HIS A 41 -9.409 13.665 20.471 1.00 3.77 H new ATOM 0 HE2 HIS A 41 -9.812 11.202 21.058 1.00 3.51 H new ATOM 651 N PRO A 42 -2.834 12.305 17.833 1.00 15.11 N ATOM 652 CA PRO A 42 -1.602 11.926 17.134 1.00 16.08 C ATOM 653 C PRO A 42 -1.409 10.414 17.215 1.00 17.92 C ATOM 654 O PRO A 42 -1.659 9.799 18.232 1.00 17.13 O ATOM 655 CB PRO A 42 -0.506 12.651 17.908 1.00 16.41 C ATOM 656 CG PRO A 42 -1.074 12.913 19.316 1.00 13.79 C ATOM 657 CD PRO A 42 -2.614 12.873 19.180 1.00 16.28 C ATOM 0 HA PRO A 42 -1.607 12.188 16.076 1.00 16.08 H new ATOM 0 HB2 PRO A 42 0.399 12.046 17.960 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.236 13.586 17.417 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -0.727 12.158 20.022 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -0.743 13.880 19.695 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.068 12.254 19.954 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.050 13.868 19.271 1.00 16.28 H new ATOM 665 N VAL A 43 -0.959 9.813 16.157 1.00 16.29 N ATOM 666 CA VAL A 43 -0.742 8.344 16.177 1.00 14.28 C ATOM 667 C VAL A 43 0.744 8.059 15.988 1.00 9.00 C ATOM 668 O VAL A 43 1.313 8.334 14.950 1.00 7.99 O ATOM 669 CB VAL A 43 -1.535 7.690 15.051 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.021 7.672 15.415 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.333 8.481 13.756 1.00 20.57 C ATOM 0 H VAL A 43 -0.731 10.275 15.277 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.078 7.937 17.131 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.186 6.667 14.908 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.587 7.204 14.610 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.163 7.105 16.335 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.372 8.694 15.560 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.900 8.013 12.951 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.680 9.505 13.897 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.274 8.490 13.496 1.00 20.57 H new ATOM 681 N LEU A 44 1.379 7.515 16.984 1.00 10.19 N ATOM 682 CA LEU A 44 2.828 7.225 16.866 1.00 11.55 C ATOM 683 C LEU A 44 3.049 6.084 15.876 1.00 10.61 C ATOM 684 O LEU A 44 2.766 4.936 16.156 1.00 13.49 O ATOM 685 CB LEU A 44 3.381 6.833 18.231 1.00 10.60 C ATOM 686 CG LEU A 44 4.892 6.668 18.129 1.00 13.48 C ATOM 687 CD1 LEU A 44 5.517 7.996 17.695 1.00 15.65 C ATOM 688 CD2 LEU A 44 5.453 6.258 19.493 1.00 20.21 C ATOM 0 H LEU A 44 0.955 7.259 17.876 1.00 10.19 H new ATOM 0 HA LEU A 44 3.345 8.115 16.507 1.00 11.55 H new ATOM 0 HB2 LEU A 44 3.135 7.596 18.969 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.923 5.903 18.569 1.00 10.60 H new ATOM 0 HG LEU A 44 5.128 5.897 17.395 1.00 13.48 H new ATOM 0 HD11 LEU A 44 6.598 7.882 17.621 1.00 15.65 H new ATOM 0 HD12 LEU A 44 5.115 8.287 16.724 1.00 15.65 H new ATOM 0 HD13 LEU A 44 5.283 8.766 18.430 1.00 15.65 H new ATOM 0 HD21 LEU A 44 6.534 6.140 19.421 1.00 20.21 H new ATOM 0 HD22 LEU A 44 5.220 7.028 20.228 1.00 20.21 H new ATOM 0 HD23 LEU A 44 5.004 5.314 19.802 1.00 20.21 H new ATOM 700 N VAL A 45 3.562 6.396 14.722 1.00 10.81 N ATOM 701 CA VAL A 45 3.816 5.340 13.705 1.00 9.29 C ATOM 702 C VAL A 45 5.331 5.135 13.582 1.00 9.95 C ATOM 703 O VAL A 45 6.112 5.950 14.029 1.00 9.36 O ATOM 704 CB VAL A 45 3.187 5.767 12.363 1.00 4.64 C ATOM 705 CG1 VAL A 45 4.233 5.829 11.240 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.096 4.762 11.982 1.00 10.20 C ATOM 0 H VAL A 45 3.818 7.341 14.437 1.00 10.81 H new ATOM 0 HA VAL A 45 3.362 4.394 14.001 1.00 9.29 H new ATOM 0 HB VAL A 45 2.766 6.765 12.486 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.751 6.133 10.311 1.00 7.95 H new ATOM 0 HG12 VAL A 45 5.006 6.552 11.502 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.685 4.846 11.109 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.645 5.056 11.034 1.00 10.20 H new ATOM 0 HG22 VAL A 45 2.535 3.769 11.883 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.330 4.745 12.758 1.00 10.20 H new ATOM 716 N LYS A 46 5.751 4.054 12.988 1.00 10.76 N ATOM 717 CA LYS A 46 7.213 3.809 12.852 1.00 12.81 C ATOM 718 C LYS A 46 7.735 4.481 11.581 1.00 13.35 C ATOM 719 O LYS A 46 6.975 4.948 10.756 1.00 12.90 O ATOM 720 CB LYS A 46 7.479 2.304 12.779 1.00 17.04 C ATOM 721 CG LYS A 46 6.853 1.615 13.994 1.00 26.60 C ATOM 722 CD LYS A 46 7.545 2.097 15.270 1.00 33.77 C ATOM 723 CE LYS A 46 8.959 1.515 15.337 1.00 34.48 C ATOM 724 NZ LYS A 46 9.912 2.447 14.672 1.00 36.74 N ATOM 0 H LYS A 46 5.148 3.332 12.592 1.00 10.76 H new ATOM 0 HA LYS A 46 7.727 4.227 13.718 1.00 12.81 H new ATOM 0 HB2 LYS A 46 7.061 1.894 11.860 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.552 2.114 12.753 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.787 1.836 14.041 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.951 0.533 13.902 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.588 3.186 15.284 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.972 1.790 16.145 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.251 1.360 16.376 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.986 0.541 14.849 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 10.222 2.039 13.767 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 9.442 3.359 14.499 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 10.739 2.595 15.286 1.00 36.74 H new ATOM 738 N ILE A 47 9.028 4.532 11.418 1.00 13.96 N ATOM 739 CA ILE A 47 9.601 5.169 10.203 1.00 16.93 C ATOM 740 C ILE A 47 11.007 4.611 9.953 1.00 16.52 C ATOM 741 O ILE A 47 11.553 3.891 10.766 1.00 17.67 O ATOM 742 CB ILE A 47 9.641 6.698 10.398 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.366 7.384 9.064 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.008 7.155 10.917 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.004 8.071 9.121 1.00 18.26 C ATOM 0 H ILE A 47 9.712 4.159 12.076 1.00 13.96 H new ATOM 0 HA ILE A 47 8.981 4.947 9.335 1.00 16.93 H new ATOM 0 HB ILE A 47 8.881 6.968 11.132 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.146 8.115 8.850 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.384 6.653 8.256 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.005 8.238 11.045 1.00 18.08 H new ATOM 0 HG22 ILE A 47 11.212 6.677 11.875 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.781 6.876 10.201 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.804 8.562 8.169 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.230 7.329 9.316 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.004 8.813 9.919 1.00 18.26 H new ATOM 757 N THR A 48 11.594 4.934 8.836 1.00 16.86 N ATOM 758 CA THR A 48 12.959 4.420 8.537 1.00 16.59 C ATOM 759 C THR A 48 13.971 5.562 8.656 1.00 19.04 C ATOM 760 O THR A 48 13.667 6.706 8.382 1.00 22.56 O ATOM 761 CB THR A 48 12.987 3.853 7.117 1.00 16.30 C ATOM 762 OG1 THR A 48 12.243 2.643 7.078 1.00 17.90 O ATOM 763 CG2 THR A 48 14.432 3.582 6.698 1.00 16.02 C ATOM 0 H THR A 48 11.188 5.532 8.116 1.00 16.86 H new ATOM 0 HA THR A 48 13.218 3.634 9.246 1.00 16.59 H new ATOM 0 HB THR A 48 12.545 4.574 6.430 1.00 16.30 H new ATOM 0 HG1 THR A 48 12.149 2.287 7.986 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.448 3.178 5.686 1.00 16.02 H new ATOM 0 HG22 THR A 48 15.000 4.512 6.726 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.881 2.862 7.383 1.00 16.02 H new ATOM 771 N LEU A 49 15.173 5.261 9.064 1.00 18.35 N ATOM 772 CA LEU A 49 16.203 6.324 9.204 1.00 18.82 C ATOM 773 C LEU A 49 17.472 5.880 8.472 1.00 20.06 C ATOM 774 O LEU A 49 18.129 4.936 8.862 1.00 18.35 O ATOM 775 CB LEU A 49 16.494 6.540 10.697 1.00 18.79 C ATOM 776 CG LEU A 49 17.342 7.799 10.927 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.826 7.425 10.913 1.00 20.41 C ATOM 778 CD2 LEU A 49 17.071 8.852 9.844 1.00 14.50 C ATOM 0 H LEU A 49 15.485 4.321 9.307 1.00 18.35 H new ATOM 0 HA LEU A 49 15.850 7.260 8.771 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.555 6.628 11.243 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.015 5.670 11.097 1.00 18.79 H new ATOM 0 HG LEU A 49 17.073 8.222 11.895 1.00 18.24 H new ATOM 0 HD11 LEU A 49 19.428 8.319 11.076 1.00 20.41 H new ATOM 0 HD12 LEU A 49 19.027 6.703 11.704 1.00 20.41 H new ATOM 0 HD13 LEU A 49 19.082 6.987 9.948 1.00 20.41 H new ATOM 0 HD21 LEU A 49 17.685 9.733 10.031 1.00 14.50 H new ATOM 0 HD22 LEU A 49 17.318 8.439 8.866 1.00 14.50 H new ATOM 0 HD23 LEU A 49 16.018 9.132 9.865 1.00 14.50 H new ATOM 790 N ASP A 50 17.807 6.545 7.400 1.00 22.62 N ATOM 791 CA ASP A 50 19.017 6.157 6.621 1.00 27.04 C ATOM 792 C ASP A 50 20.270 6.295 7.487 1.00 27.73 C ATOM 793 O ASP A 50 20.431 7.252 8.219 1.00 26.65 O ATOM 794 CB ASP A 50 19.143 7.068 5.398 1.00 29.11 C ATOM 795 CG ASP A 50 20.514 6.872 4.749 1.00 30.37 C ATOM 796 OD1 ASP A 50 21.472 7.433 5.254 1.00 30.76 O ATOM 797 OD2 ASP A 50 20.583 6.165 3.757 1.00 33.99 O ATOM 0 H ASP A 50 17.292 7.344 7.029 1.00 22.62 H new ATOM 0 HA ASP A 50 18.918 5.119 6.303 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.354 6.841 4.681 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.015 8.109 5.693 1.00 29.11 H new ATOM 802 N GLU A 51 21.166 5.347 7.400 1.00 31.16 N ATOM 803 CA GLU A 51 22.415 5.426 8.205 1.00 34.22 C ATOM 804 C GLU A 51 23.111 6.754 7.907 1.00 34.98 C ATOM 805 O GLU A 51 23.393 7.076 6.769 1.00 34.19 O ATOM 806 CB GLU A 51 23.334 4.258 7.829 1.00 38.24 C ATOM 807 CG GLU A 51 24.754 4.534 8.329 1.00 46.84 C ATOM 808 CD GLU A 51 25.301 3.288 9.028 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.023 3.123 10.205 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.990 2.521 8.376 1.00 53.83 O ATOM 0 H GLU A 51 21.084 4.522 6.805 1.00 31.16 H new ATOM 0 HA GLU A 51 22.182 5.368 9.268 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.958 3.333 8.266 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.340 4.121 6.748 1.00 38.24 H new ATOM 0 HG2 GLU A 51 25.398 4.807 7.493 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.750 5.378 9.018 1.00 46.84 H new ATOM 817 N GLY A 52 23.379 7.534 8.915 1.00 34.53 N ATOM 818 CA GLY A 52 24.043 8.846 8.682 1.00 34.93 C ATOM 819 C GLY A 52 22.981 9.946 8.672 1.00 36.10 C ATOM 820 O GLY A 52 23.233 11.070 9.059 1.00 35.97 O ATOM 0 H GLY A 52 23.167 7.320 9.890 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.778 9.040 9.463 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.581 8.833 7.734 1.00 34.93 H new ATOM 824 N GLN A 53 21.791 9.627 8.238 1.00 36.52 N ATOM 825 CA GLN A 53 20.710 10.650 8.210 1.00 35.40 C ATOM 826 C GLN A 53 20.228 10.910 9.638 1.00 31.02 C ATOM 827 O GLN A 53 20.213 10.012 10.456 1.00 29.05 O ATOM 828 CB GLN A 53 19.540 10.133 7.367 1.00 41.20 C ATOM 829 CG GLN A 53 19.465 10.920 6.057 1.00 47.61 C ATOM 830 CD GLN A 53 18.002 11.087 5.644 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.108 10.920 6.450 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.717 11.410 4.413 1.00 54.76 N ATOM 0 H GLN A 53 21.522 8.702 7.902 1.00 36.52 H new ATOM 0 HA GLN A 53 21.091 11.574 7.775 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.670 9.071 7.158 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.606 10.237 7.920 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.933 11.897 6.180 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.017 10.399 5.275 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.467 11.550 3.736 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.744 11.522 4.127 1.00 54.76 H new ATOM 841 N PRO A 54 19.845 12.133 9.895 1.00 27.43 N ATOM 842 CA PRO A 54 19.351 12.543 11.218 1.00 23.44 C ATOM 843 C PRO A 54 17.901 12.091 11.398 1.00 20.14 C ATOM 844 O PRO A 54 17.022 12.496 10.665 1.00 21.64 O ATOM 845 CB PRO A 54 19.450 14.067 11.185 1.00 24.39 C ATOM 846 CG PRO A 54 19.450 14.468 9.694 1.00 27.18 C ATOM 847 CD PRO A 54 19.869 13.219 8.897 1.00 28.37 C ATOM 0 HA PRO A 54 19.914 12.108 12.044 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.611 14.523 11.710 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.359 14.409 11.680 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.462 14.810 9.386 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.142 15.291 9.515 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.181 13.021 8.075 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.861 13.338 8.461 1.00 28.37 H new ATOM 855 N ALA A 55 17.647 11.251 12.364 1.00 17.21 N ATOM 856 CA ALA A 55 16.257 10.768 12.589 1.00 15.58 C ATOM 857 C ALA A 55 15.276 11.930 12.434 1.00 16.41 C ATOM 858 O ALA A 55 15.627 13.078 12.621 1.00 13.65 O ATOM 859 CB ALA A 55 16.141 10.198 14.000 1.00 13.98 C ATOM 0 H ALA A 55 18.345 10.878 13.008 1.00 17.21 H new ATOM 0 HA ALA A 55 16.022 9.994 11.858 1.00 15.58 H new ATOM 0 HB1 ALA A 55 15.124 9.844 14.167 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.838 9.368 14.115 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.378 10.975 14.727 1.00 13.98 H new ATOM 865 N TYR A 56 14.048 11.644 12.099 1.00 15.93 N ATOM 866 CA TYR A 56 13.051 12.737 11.940 1.00 14.61 C ATOM 867 C TYR A 56 13.185 13.704 13.116 1.00 15.51 C ATOM 868 O TYR A 56 12.781 13.410 14.221 1.00 17.19 O ATOM 869 CB TYR A 56 11.641 12.139 11.912 1.00 12.92 C ATOM 870 CG TYR A 56 11.402 11.442 10.584 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.479 11.161 9.727 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.106 11.072 10.216 1.00 7.14 C ATOM 873 CE1 TYR A 56 12.253 10.513 8.509 1.00 11.47 C ATOM 874 CE2 TYR A 56 9.882 10.423 9.000 1.00 7.90 C ATOM 875 CZ TYR A 56 10.955 10.142 8.145 1.00 10.29 C ATOM 876 OH TYR A 56 10.731 9.501 6.944 1.00 12.03 O ATOM 0 H TYR A 56 13.694 10.703 11.929 1.00 15.93 H new ATOM 0 HA TYR A 56 13.228 13.272 11.007 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.521 11.430 12.731 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.900 12.925 12.059 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.482 11.446 10.009 1.00 12.42 H new ATOM 0 HD2 TYR A 56 9.276 11.288 10.873 1.00 7.14 H new ATOM 0 HE1 TYR A 56 13.081 10.299 7.849 1.00 11.47 H new ATOM 0 HE2 TYR A 56 8.879 10.137 8.718 1.00 7.90 H new ATOM 0 HH TYR A 56 9.835 9.104 6.947 1.00 12.03 H new ATOM 886 N ALA A 57 13.754 14.856 12.889 1.00 13.38 N ATOM 887 CA ALA A 57 13.913 15.838 13.997 1.00 14.95 C ATOM 888 C ALA A 57 12.530 16.244 14.518 1.00 15.46 C ATOM 889 O ALA A 57 11.522 15.829 13.982 1.00 17.82 O ATOM 890 CB ALA A 57 14.648 17.076 13.477 1.00 14.98 C ATOM 0 H ALA A 57 14.115 15.159 11.985 1.00 13.38 H new ATOM 0 HA ALA A 57 14.488 15.388 14.806 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.765 17.796 14.287 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.630 16.786 13.104 1.00 14.98 H new ATOM 0 HB3 ALA A 57 14.072 17.528 12.670 1.00 14.98 H new ATOM 896 N PRO A 58 12.528 17.048 15.551 1.00 15.20 N ATOM 897 CA PRO A 58 11.285 17.535 16.176 1.00 16.55 C ATOM 898 C PRO A 58 10.667 18.659 15.338 1.00 16.75 C ATOM 899 O PRO A 58 11.331 19.607 14.967 1.00 17.28 O ATOM 900 CB PRO A 58 11.751 18.056 17.539 1.00 15.65 C ATOM 901 CG PRO A 58 13.262 18.359 17.398 1.00 14.16 C ATOM 902 CD PRO A 58 13.763 17.545 16.191 1.00 13.96 C ATOM 0 HA PRO A 58 10.516 16.767 16.260 1.00 16.55 H new ATOM 0 HB2 PRO A 58 11.200 18.953 17.821 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.575 17.315 18.319 1.00 15.65 H new ATOM 0 HG2 PRO A 58 13.431 19.425 17.244 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.799 18.079 18.304 1.00 14.16 H new ATOM 0 HD2 PRO A 58 14.345 18.163 15.507 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.407 16.724 16.504 1.00 13.96 H new ATOM 910 N GLY A 59 9.400 18.561 15.037 1.00 17.22 N ATOM 911 CA GLY A 59 8.744 19.626 14.224 1.00 15.08 C ATOM 912 C GLY A 59 7.559 19.035 13.456 1.00 14.96 C ATOM 913 O GLY A 59 7.574 17.888 13.067 1.00 13.79 O ATOM 0 H GLY A 59 8.792 17.792 15.318 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.403 20.433 14.872 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.462 20.058 13.527 1.00 15.08 H new ATOM 917 N LEU A 60 6.535 19.813 13.226 1.00 15.83 N ATOM 918 CA LEU A 60 5.357 19.291 12.471 1.00 14.53 C ATOM 919 C LEU A 60 5.855 18.551 11.229 1.00 14.15 C ATOM 920 O LEU A 60 6.856 18.920 10.646 1.00 13.27 O ATOM 921 CB LEU A 60 4.473 20.465 12.042 1.00 15.84 C ATOM 922 CG LEU A 60 3.004 20.126 12.293 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.164 21.402 12.196 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.529 19.119 11.243 1.00 15.01 C ATOM 0 H LEU A 60 6.463 20.785 13.527 1.00 15.83 H new ATOM 0 HA LEU A 60 4.781 18.613 13.100 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.749 21.362 12.597 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.630 20.683 10.986 1.00 15.84 H new ATOM 0 HG LEU A 60 2.893 19.694 13.287 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.116 21.162 12.375 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.504 22.119 12.943 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.273 21.834 11.201 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.481 18.876 11.420 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.638 19.552 10.248 1.00 15.01 H new ATOM 0 HD23 LEU A 60 3.129 18.212 11.312 1.00 15.01 H new ATOM 936 N TYR A 61 5.184 17.510 10.809 1.00 11.12 N ATOM 937 CA TYR A 61 5.664 16.783 9.606 1.00 9.57 C ATOM 938 C TYR A 61 4.580 16.661 8.556 1.00 11.76 C ATOM 939 O TYR A 61 3.400 16.790 8.816 1.00 11.26 O ATOM 940 CB TYR A 61 6.152 15.390 9.982 1.00 9.42 C ATOM 941 CG TYR A 61 7.604 15.503 10.348 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.971 15.806 11.660 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.581 15.341 9.360 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.319 15.943 11.990 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.930 15.481 9.689 1.00 13.99 C ATOM 946 CZ TYR A 61 10.296 15.783 11.002 1.00 11.06 C ATOM 947 OH TYR A 61 11.627 15.915 11.333 1.00 14.61 O ATOM 0 H TYR A 61 4.338 17.139 11.242 1.00 11.12 H new ATOM 0 HA TYR A 61 6.488 17.363 9.190 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.576 14.995 10.818 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.019 14.700 9.149 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.213 15.934 12.418 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.292 15.108 8.346 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.608 16.172 13.005 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.688 15.356 8.930 1.00 13.99 H new ATOM 0 HH TYR A 61 11.705 16.194 12.269 1.00 14.61 H new ATOM 957 N THR A 62 5.005 16.382 7.368 1.00 12.22 N ATOM 958 CA THR A 62 4.077 16.202 6.242 1.00 14.26 C ATOM 959 C THR A 62 4.673 15.121 5.363 1.00 15.40 C ATOM 960 O THR A 62 5.792 15.232 4.903 1.00 16.24 O ATOM 961 CB THR A 62 3.953 17.499 5.458 1.00 15.07 C ATOM 962 OG1 THR A 62 5.188 17.786 4.814 1.00 18.36 O ATOM 963 CG2 THR A 62 3.596 18.631 6.417 1.00 11.61 C ATOM 0 H THR A 62 5.989 16.268 7.126 1.00 12.22 H new ATOM 0 HA THR A 62 3.082 15.925 6.590 1.00 14.26 H new ATOM 0 HB THR A 62 3.172 17.400 4.704 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.107 18.621 4.308 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.506 19.564 5.861 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.648 18.407 6.907 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.379 18.731 7.169 1.00 11.61 H new ATOM 971 N VAL A 63 3.964 14.066 5.145 1.00 14.65 N ATOM 972 CA VAL A 63 4.542 12.985 4.317 1.00 15.17 C ATOM 973 C VAL A 63 4.864 13.539 2.937 1.00 14.24 C ATOM 974 O VAL A 63 4.395 14.591 2.549 1.00 19.13 O ATOM 975 CB VAL A 63 3.578 11.810 4.204 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.370 10.560 3.825 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.881 11.579 5.551 1.00 18.64 C ATOM 0 H VAL A 63 3.021 13.902 5.497 1.00 14.65 H new ATOM 0 HA VAL A 63 5.454 12.621 4.790 1.00 15.17 H new ATOM 0 HB VAL A 63 2.826 12.024 3.444 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.692 9.711 3.741 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.869 10.721 2.870 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.115 10.354 4.594 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.193 10.738 5.465 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.628 11.360 6.314 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.326 12.474 5.832 1.00 18.64 H new ATOM 987 N HIS A 64 5.671 12.845 2.201 1.00 13.31 N ATOM 988 CA HIS A 64 6.045 13.329 0.847 1.00 10.78 C ATOM 989 C HIS A 64 5.778 12.219 -0.171 1.00 14.19 C ATOM 990 O HIS A 64 6.218 11.094 -0.002 1.00 11.59 O ATOM 991 CB HIS A 64 7.531 13.697 0.835 1.00 11.86 C ATOM 992 CG HIS A 64 7.790 14.731 -0.228 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.148 14.708 -1.456 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.635 15.814 -0.269 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.613 15.737 -2.180 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.522 16.447 -1.505 1.00 20.65 N ATOM 0 H HIS A 64 6.092 11.958 2.476 1.00 13.31 H new ATOM 0 HA HIS A 64 5.455 14.208 0.589 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.828 14.082 1.810 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.134 12.809 0.646 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.287 16.126 0.534 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.292 15.964 -3.186 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.025 17.274 -1.826 1.00 20.65 H new ATOM 1004 N LEU A 65 5.059 12.521 -1.223 1.00 12.93 N ATOM 1005 CA LEU A 65 4.761 11.484 -2.248 1.00 14.44 C ATOM 1006 C LEU A 65 6.024 11.153 -3.046 1.00 12.66 C ATOM 1007 O LEU A 65 6.001 10.322 -3.932 1.00 10.20 O ATOM 1008 CB LEU A 65 3.659 11.986 -3.187 1.00 14.94 C ATOM 1009 CG LEU A 65 4.237 12.947 -4.209 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.030 12.373 -5.613 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.536 14.296 -4.097 1.00 19.03 C ATOM 0 H LEU A 65 4.667 13.443 -1.413 1.00 12.93 H new ATOM 0 HA LEU A 65 4.417 10.578 -1.749 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.192 11.142 -3.695 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.879 12.483 -2.611 1.00 14.94 H new ATOM 0 HG LEU A 65 5.303 13.082 -4.023 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.444 13.060 -6.351 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.535 11.410 -5.690 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.964 12.240 -5.798 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.953 14.985 -4.832 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.470 14.168 -4.283 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.684 14.701 -3.096 1.00 19.03 H new ATOM 1023 N SER A 66 7.135 11.769 -2.731 1.00 13.51 N ATOM 1024 CA SER A 66 8.379 11.442 -3.471 1.00 10.39 C ATOM 1025 C SER A 66 8.572 9.929 -3.388 1.00 8.56 C ATOM 1026 O SER A 66 9.270 9.327 -4.180 1.00 11.70 O ATOM 1027 CB SER A 66 9.567 12.159 -2.821 1.00 12.88 C ATOM 1028 OG SER A 66 10.607 11.223 -2.563 1.00 14.72 O ATOM 0 H SER A 66 7.229 12.475 -2.001 1.00 13.51 H new ATOM 0 HA SER A 66 8.312 11.763 -4.510 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.930 12.950 -3.477 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.253 12.635 -1.892 1.00 12.88 H new ATOM 0 HG SER A 66 11.366 11.684 -2.149 1.00 14.72 H new ATOM 1034 N SER A 67 7.946 9.319 -2.416 1.00 7.98 N ATOM 1035 CA SER A 67 8.064 7.849 -2.238 1.00 8.20 C ATOM 1036 C SER A 67 6.893 7.136 -2.926 1.00 11.02 C ATOM 1037 O SER A 67 6.866 5.925 -3.017 1.00 11.45 O ATOM 1038 CB SER A 67 8.042 7.524 -0.745 1.00 8.01 C ATOM 1039 OG SER A 67 8.916 8.411 -0.060 1.00 11.22 O ATOM 0 H SER A 67 7.352 9.786 -1.731 1.00 7.98 H new ATOM 0 HA SER A 67 8.999 7.509 -2.684 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.029 7.620 -0.355 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.351 6.492 -0.581 1.00 8.01 H new ATOM 0 HG SER A 67 9.530 7.895 0.504 1.00 11.22 H new ATOM 1045 N PHE A 68 5.916 7.868 -3.396 1.00 10.09 N ATOM 1046 CA PHE A 68 4.751 7.210 -4.055 1.00 11.79 C ATOM 1047 C PHE A 68 5.081 6.950 -5.523 1.00 12.69 C ATOM 1048 O PHE A 68 5.926 7.600 -6.107 1.00 14.25 O ATOM 1049 CB PHE A 68 3.512 8.114 -3.975 1.00 10.08 C ATOM 1050 CG PHE A 68 3.306 8.624 -2.565 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.096 8.159 -1.500 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.337 9.609 -2.333 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.910 8.681 -0.215 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.159 10.130 -1.050 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.945 9.668 0.006 1.00 11.87 C ATOM 0 H PHE A 68 5.875 8.886 -3.352 1.00 10.09 H new ATOM 0 HA PHE A 68 4.543 6.270 -3.544 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.627 8.956 -4.658 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.631 7.560 -4.298 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.845 7.400 -1.673 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.726 9.966 -3.149 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.512 8.321 0.606 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.413 10.891 -0.875 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.808 10.074 0.997 1.00 11.87 H new ATOM 1065 N LYS A 69 4.416 6.007 -6.124 1.00 12.51 N ATOM 1066 CA LYS A 69 4.681 5.702 -7.557 1.00 15.38 C ATOM 1067 C LYS A 69 3.585 4.783 -8.092 1.00 15.02 C ATOM 1068 O LYS A 69 2.727 4.330 -7.361 1.00 15.36 O ATOM 1069 CB LYS A 69 6.038 5.010 -7.694 1.00 16.04 C ATOM 1070 CG LYS A 69 6.166 3.915 -6.633 1.00 20.35 C ATOM 1071 CD LYS A 69 7.268 2.935 -7.041 1.00 21.35 C ATOM 1072 CE LYS A 69 6.874 1.518 -6.620 1.00 30.24 C ATOM 1073 NZ LYS A 69 6.568 0.707 -7.832 1.00 32.70 N ATOM 0 H LYS A 69 3.698 5.432 -5.684 1.00 12.51 H new ATOM 0 HA LYS A 69 4.690 6.630 -8.128 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.139 4.579 -8.690 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.842 5.737 -7.579 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.399 4.358 -5.665 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.218 3.388 -6.523 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.424 2.975 -8.119 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.211 3.216 -6.572 1.00 21.35 H new ATOM 0 HE2 LYS A 69 7.684 1.056 -6.055 1.00 30.24 H new ATOM 0 HE3 LYS A 69 6.005 1.551 -5.962 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 6.300 -0.256 -7.546 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 5.782 1.145 -8.353 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 7.408 0.666 -8.443 1.00 32.70 H new ATOM 1087 N VAL A 70 3.609 4.504 -9.364 1.00 13.65 N ATOM 1088 CA VAL A 70 2.567 3.613 -9.951 1.00 13.49 C ATOM 1089 C VAL A 70 3.164 2.224 -10.184 1.00 11.85 C ATOM 1090 O VAL A 70 3.996 2.031 -11.047 1.00 12.13 O ATOM 1091 CB VAL A 70 2.073 4.181 -11.285 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.550 4.058 -11.355 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.471 5.657 -11.415 1.00 15.63 C ATOM 0 H VAL A 70 4.304 4.853 -10.024 1.00 13.65 H new ATOM 0 HA VAL A 70 1.726 3.547 -9.260 1.00 13.49 H new ATOM 0 HB VAL A 70 2.529 3.619 -12.100 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.196 4.462 -12.303 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.266 3.008 -11.278 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.102 4.616 -10.533 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.114 6.048 -12.368 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.026 6.227 -10.599 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.556 5.746 -11.371 1.00 15.63 H new ATOM 1103 N GLY A 71 2.747 1.254 -9.417 1.00 11.15 N ATOM 1104 CA GLY A 71 3.293 -0.125 -9.588 1.00 11.07 C ATOM 1105 C GLY A 71 2.650 -0.799 -10.805 1.00 12.15 C ATOM 1106 O GLY A 71 2.165 -1.910 -10.721 1.00 12.70 O ATOM 0 H GLY A 71 2.051 1.356 -8.678 1.00 11.15 H new ATOM 0 HA2 GLY A 71 4.375 -0.083 -9.715 1.00 11.07 H new ATOM 0 HA3 GLY A 71 3.100 -0.715 -8.692 1.00 11.07 H new ATOM 1110 N GLN A 72 2.651 -0.141 -11.935 1.00 15.78 N ATOM 1111 CA GLN A 72 2.049 -0.742 -13.162 1.00 19.42 C ATOM 1112 C GLN A 72 0.758 -1.482 -12.806 1.00 16.97 C ATOM 1113 O GLN A 72 0.556 -2.617 -13.189 1.00 20.46 O ATOM 1114 CB GLN A 72 3.042 -1.723 -13.787 1.00 22.64 C ATOM 1115 CG GLN A 72 3.091 -1.506 -15.301 1.00 25.29 C ATOM 1116 CD GLN A 72 1.891 -2.194 -15.954 1.00 26.29 C ATOM 1117 OE1 GLN A 72 2.043 -3.188 -16.636 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.695 -1.703 -15.774 1.00 25.15 N ATOM 0 H GLN A 72 3.045 0.791 -12.061 1.00 15.78 H new ATOM 0 HA GLN A 72 1.820 0.052 -13.872 1.00 19.42 H new ATOM 0 HB2 GLN A 72 4.033 -1.578 -13.356 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.745 -2.748 -13.565 1.00 22.64 H new ATOM 0 HG2 GLN A 72 3.080 -0.440 -15.527 1.00 25.29 H new ATOM 0 HG3 GLN A 72 4.019 -1.908 -15.707 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.567 -0.869 -15.201 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.112 -2.154 -16.206 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.119 -0.848 -12.078 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.397 -1.513 -11.700 1.00 14.60 C ATOM 1129 C PHE A 73 -2.525 -0.483 -11.709 1.00 15.63 C ATOM 1130 O PHE A 73 -3.473 -0.576 -10.954 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.266 -2.108 -10.300 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.031 -3.592 -10.411 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.079 -4.442 -10.785 1.00 19.79 C ATOM 1134 CD2 PHE A 73 0.236 -4.122 -10.137 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -1.860 -5.821 -10.886 1.00 18.68 C ATOM 1136 CE2 PHE A 73 0.454 -5.502 -10.238 1.00 20.44 C ATOM 1137 CZ PHE A 73 -0.594 -6.351 -10.612 1.00 17.88 C ATOM 0 H PHE A 73 -0.005 0.103 -11.728 1.00 14.56 H new ATOM 0 HA PHE A 73 -1.620 -2.306 -12.413 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -0.440 -1.636 -9.767 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.170 -1.913 -9.723 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.056 -4.034 -10.996 1.00 19.79 H new ATOM 0 HD2 PHE A 73 1.045 -3.467 -9.848 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -2.668 -6.476 -11.175 1.00 18.68 H new ATOM 0 HE2 PHE A 73 1.431 -5.911 -10.027 1.00 20.44 H new ATOM 0 HZ PHE A 73 -0.426 -7.415 -10.689 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.429 0.499 -12.559 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.493 1.538 -12.620 1.00 13.44 C ATOM 1149 C GLY A 74 -3.875 1.966 -11.202 1.00 10.42 C ATOM 1150 O GLY A 74 -5.039 2.087 -10.874 1.00 13.62 O ATOM 0 H GLY A 74 -1.659 0.627 -13.215 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.142 2.399 -13.188 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.367 1.147 -13.141 1.00 13.44 H new ATOM 1154 N SER A 75 -2.907 2.195 -10.355 1.00 12.64 N ATOM 1155 CA SER A 75 -3.225 2.613 -8.960 1.00 12.47 C ATOM 1156 C SER A 75 -1.961 3.137 -8.274 1.00 12.47 C ATOM 1157 O SER A 75 -1.023 2.403 -8.035 1.00 11.32 O ATOM 1158 CB SER A 75 -3.763 1.412 -8.182 1.00 11.21 C ATOM 1159 OG SER A 75 -4.911 0.899 -8.844 1.00 18.27 O ATOM 0 H SER A 75 -1.913 2.111 -10.568 1.00 12.64 H new ATOM 0 HA SER A 75 -3.975 3.403 -8.983 1.00 12.47 H new ATOM 0 HB2 SER A 75 -2.997 0.640 -8.107 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.018 1.708 -7.164 1.00 11.21 H new ATOM 0 HG SER A 75 -5.306 1.600 -9.404 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.932 4.402 -7.949 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.731 4.969 -7.272 1.00 12.18 C ATOM 1167 C LEU A 76 -0.626 4.378 -5.864 1.00 12.07 C ATOM 1168 O LEU A 76 -1.608 3.955 -5.288 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.868 6.490 -7.181 1.00 11.99 C ATOM 1170 CG LEU A 76 0.513 7.135 -7.300 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.630 7.846 -8.650 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.700 8.149 -6.168 1.00 7.80 C ATOM 0 H LEU A 76 -2.687 5.066 -8.123 1.00 12.43 H new ATOM 0 HA LEU A 76 0.165 4.722 -7.841 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.521 6.855 -7.974 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.330 6.768 -6.234 1.00 11.99 H new ATOM 0 HG LEU A 76 1.282 6.366 -7.229 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.615 8.306 -8.735 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.497 7.123 -9.455 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.138 8.616 -8.723 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.684 8.610 -6.251 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.068 8.919 -6.239 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.617 7.641 -5.207 1.00 7.80 H new ATOM 1184 N MET A 77 0.555 4.344 -5.305 1.00 14.08 N ATOM 1185 CA MET A 77 0.714 3.773 -3.936 1.00 14.12 C ATOM 1186 C MET A 77 2.047 4.227 -3.338 1.00 11.37 C ATOM 1187 O MET A 77 2.973 4.574 -4.045 1.00 11.44 O ATOM 1188 CB MET A 77 0.699 2.243 -4.013 1.00 16.48 C ATOM 1189 CG MET A 77 -0.709 1.756 -4.357 1.00 24.75 C ATOM 1190 SD MET A 77 -0.918 0.055 -3.773 1.00 35.11 S ATOM 1191 CE MET A 77 -2.143 0.406 -2.489 1.00 33.86 C ATOM 0 H MET A 77 1.414 4.686 -5.736 1.00 14.08 H new ATOM 0 HA MET A 77 -0.107 4.120 -3.308 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.407 1.901 -4.768 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.018 1.819 -3.061 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.453 2.405 -3.895 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.869 1.804 -5.434 1.00 24.75 H new ATOM 0 HE1 MET A 77 -2.421 -0.521 -1.988 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.719 1.098 -1.761 1.00 33.86 H new ATOM 0 HE3 MET A 77 -3.028 0.853 -2.943 1.00 33.86 H new ATOM 1201 N ILE A 78 2.151 4.220 -2.038 1.00 11.78 N ATOM 1202 CA ILE A 78 3.420 4.641 -1.382 1.00 11.62 C ATOM 1203 C ILE A 78 4.427 3.488 -1.407 1.00 11.45 C ATOM 1204 O ILE A 78 4.102 2.361 -1.092 1.00 12.59 O ATOM 1205 CB ILE A 78 3.149 4.996 0.075 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.104 6.112 0.162 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.453 5.449 0.733 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.944 5.659 1.055 1.00 13.67 C ATOM 0 H ILE A 78 1.407 3.939 -1.399 1.00 11.78 H new ATOM 0 HA ILE A 78 3.819 5.502 -1.918 1.00 11.62 H new ATOM 0 HB ILE A 78 2.763 4.119 0.594 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.556 7.017 0.567 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.735 6.358 -0.834 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.265 5.704 1.776 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.185 4.643 0.683 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.840 6.323 0.210 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.200 6.454 1.117 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.486 4.765 0.631 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.319 5.435 2.054 1.00 13.67 H new ATOM 1220 N ASP A 79 5.652 3.768 -1.747 1.00 10.05 N ATOM 1221 CA ASP A 79 6.694 2.697 -1.756 1.00 14.79 C ATOM 1222 C ASP A 79 7.566 2.861 -0.507 1.00 15.20 C ATOM 1223 O ASP A 79 8.227 1.944 -0.060 1.00 18.10 O ATOM 1224 CB ASP A 79 7.560 2.827 -3.011 1.00 12.21 C ATOM 1225 CG ASP A 79 8.446 1.587 -3.150 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.711 0.956 -2.140 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.845 1.290 -4.265 1.00 21.87 O ATOM 0 H ASP A 79 5.981 4.694 -2.020 1.00 10.05 H new ATOM 0 HA ASP A 79 6.221 1.715 -1.757 1.00 14.79 H new ATOM 0 HB2 ASP A 79 6.928 2.936 -3.892 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.177 3.723 -2.949 1.00 12.21 H new ATOM 1232 N ARG A 80 7.548 4.035 0.056 1.00 17.08 N ATOM 1233 CA ARG A 80 8.338 4.328 1.283 1.00 17.14 C ATOM 1234 C ARG A 80 8.155 5.809 1.585 1.00 14.98 C ATOM 1235 O ARG A 80 9.050 6.614 1.421 1.00 16.47 O ATOM 1236 CB ARG A 80 9.819 4.011 1.052 1.00 17.78 C ATOM 1237 CG ARG A 80 10.479 3.653 2.385 1.00 22.76 C ATOM 1238 CD ARG A 80 11.371 4.807 2.843 1.00 28.43 C ATOM 1239 NE ARG A 80 12.714 4.680 2.208 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.548 5.685 2.227 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.217 6.803 2.816 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.718 5.572 1.659 1.00 35.04 N ATOM 0 H ARG A 80 7.004 4.824 -0.293 1.00 17.08 H new ATOM 0 HA ARG A 80 7.998 3.716 2.119 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.919 3.183 0.351 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.320 4.870 0.605 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.716 3.449 3.137 1.00 22.76 H new ATOM 0 HG3 ARG A 80 11.071 2.744 2.277 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.918 5.761 2.572 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.468 4.797 3.929 1.00 28.43 H new ATOM 0 HE ARG A 80 12.982 3.805 1.757 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.305 6.893 3.263 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.871 7.586 2.829 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.980 4.699 1.201 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.370 6.356 1.673 1.00 35.04 H new ATOM 1256 N LEU A 81 6.968 6.155 1.985 1.00 11.03 N ATOM 1257 CA LEU A 81 6.618 7.571 2.271 1.00 11.27 C ATOM 1258 C LEU A 81 7.820 8.352 2.809 1.00 15.61 C ATOM 1259 O LEU A 81 8.378 8.033 3.840 1.00 18.56 O ATOM 1260 CB LEU A 81 5.451 7.601 3.262 1.00 13.62 C ATOM 1261 CG LEU A 81 5.964 7.689 4.695 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.771 7.791 5.649 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.770 6.425 5.016 1.00 18.72 C ATOM 0 H LEU A 81 6.203 5.496 2.130 1.00 11.03 H new ATOM 0 HA LEU A 81 6.320 8.058 1.342 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.807 8.454 3.048 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.843 6.705 3.143 1.00 13.62 H new ATOM 0 HG LEU A 81 6.599 8.567 4.811 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.131 7.854 6.676 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.191 8.683 5.412 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.141 6.909 5.539 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.141 6.480 6.040 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.131 5.549 4.908 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.612 6.346 4.329 1.00 18.72 H new ATOM 1275 N ARG A 82 8.209 9.388 2.117 1.00 13.37 N ATOM 1276 CA ARG A 82 9.356 10.212 2.586 1.00 12.72 C ATOM 1277 C ARG A 82 8.809 11.353 3.444 1.00 13.33 C ATOM 1278 O ARG A 82 8.318 12.343 2.940 1.00 13.27 O ATOM 1279 CB ARG A 82 10.108 10.782 1.381 1.00 13.85 C ATOM 1280 CG ARG A 82 11.195 11.741 1.866 1.00 16.22 C ATOM 1281 CD ARG A 82 12.553 11.286 1.332 1.00 16.62 C ATOM 1282 NE ARG A 82 13.520 11.152 2.467 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.662 12.104 3.353 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.111 13.276 3.173 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.412 11.900 4.402 1.00 16.89 N ATOM 0 H ARG A 82 7.780 9.699 1.245 1.00 13.37 H new ATOM 0 HA ARG A 82 10.044 9.602 3.171 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.554 9.974 0.801 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.416 11.304 0.720 1.00 13.85 H new ATOM 0 HG2 ARG A 82 10.979 12.754 1.526 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.211 11.768 2.956 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.450 10.332 0.814 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.928 12.005 0.604 1.00 16.62 H new ATOM 0 HE ARG A 82 14.079 10.303 2.551 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.562 13.458 2.333 1.00 20.55 H new ATOM 0 HH12 ARG A 82 13.230 14.009 3.873 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.882 11.003 4.526 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.528 12.637 5.097 1.00 16.89 H new ATOM 1299 N LEU A 83 8.863 11.206 4.738 1.00 13.53 N ATOM 1300 CA LEU A 83 8.320 12.263 5.633 1.00 13.86 C ATOM 1301 C LEU A 83 9.151 13.538 5.546 1.00 13.02 C ATOM 1302 O LEU A 83 10.307 13.529 5.174 1.00 14.40 O ATOM 1303 CB LEU A 83 8.333 11.775 7.076 1.00 9.93 C ATOM 1304 CG LEU A 83 7.175 12.411 7.837 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.927 11.537 7.703 1.00 8.88 C ATOM 1306 CD2 LEU A 83 7.551 12.547 9.315 1.00 10.58 C ATOM 0 H LEU A 83 9.261 10.397 5.215 1.00 13.53 H new ATOM 0 HA LEU A 83 7.301 12.479 5.313 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.248 10.689 7.105 1.00 9.93 H new ATOM 0 HB3 LEU A 83 9.280 12.034 7.550 1.00 9.93 H new ATOM 0 HG LEU A 83 6.968 13.397 7.422 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.102 11.995 8.248 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.659 11.444 6.651 1.00 8.88 H new ATOM 0 HD13 LEU A 83 6.129 10.548 8.115 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.724 13.002 9.860 1.00 10.58 H new ATOM 0 HD22 LEU A 83 7.760 11.561 9.729 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.437 13.176 9.409 1.00 10.58 H new ATOM 1318 N VAL A 84 8.549 14.635 5.903 1.00 11.81 N ATOM 1319 CA VAL A 84 9.247 15.935 5.875 1.00 12.86 C ATOM 1320 C VAL A 84 8.536 16.870 6.858 1.00 14.98 C ATOM 1321 O VAL A 84 7.342 16.770 7.038 1.00 13.59 O ATOM 1322 CB VAL A 84 9.165 16.501 4.456 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.761 15.496 3.469 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.701 16.767 4.089 1.00 17.34 C ATOM 0 H VAL A 84 7.580 14.680 6.219 1.00 11.81 H new ATOM 0 HA VAL A 84 10.295 15.830 6.157 1.00 12.86 H new ATOM 0 HB VAL A 84 9.725 17.435 4.409 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.702 15.900 2.458 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.804 15.309 3.725 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.202 14.561 3.519 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.647 17.170 3.078 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.138 15.835 4.139 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.275 17.486 4.789 1.00 17.34 H new ATOM 1334 N PRO A 85 9.275 17.757 7.464 1.00 18.65 N ATOM 1335 CA PRO A 85 8.705 18.719 8.419 1.00 22.41 C ATOM 1336 C PRO A 85 7.701 19.634 7.702 1.00 25.70 C ATOM 1337 O PRO A 85 7.947 20.104 6.609 1.00 22.08 O ATOM 1338 CB PRO A 85 9.925 19.468 8.958 1.00 21.19 C ATOM 1339 CG PRO A 85 11.043 19.245 7.926 1.00 18.95 C ATOM 1340 CD PRO A 85 10.721 17.903 7.246 1.00 20.63 C ATOM 0 HA PRO A 85 8.140 18.261 9.231 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.710 20.530 9.079 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.216 19.088 9.938 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.071 20.056 7.198 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.020 19.215 8.408 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.969 17.919 6.185 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.281 17.081 7.692 1.00 20.63 H new ATOM 1348 N ALA A 86 6.558 19.865 8.298 1.00 31.74 N ATOM 1349 CA ALA A 86 5.521 20.717 7.647 1.00 39.94 C ATOM 1350 C ALA A 86 6.067 22.131 7.441 1.00 46.96 C ATOM 1351 O ALA A 86 6.409 22.818 8.383 1.00 49.29 O ATOM 1352 CB ALA A 86 4.277 20.768 8.539 1.00 39.70 C ATOM 0 H ALA A 86 6.299 19.497 9.213 1.00 31.74 H new ATOM 0 HA ALA A 86 5.258 20.293 6.678 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.516 21.390 8.067 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.887 19.760 8.677 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.541 21.191 9.508 1.00 39.70 H new ATOM 1358 N LYS A 87 6.150 22.571 6.215 1.00 51.78 N ATOM 1359 CA LYS A 87 6.673 23.941 5.947 1.00 55.12 C ATOM 1360 C LYS A 87 8.075 24.077 6.544 1.00 55.82 C ATOM 1361 O LYS A 87 8.482 23.178 7.261 1.00 58.05 O ATOM 1362 CB LYS A 87 5.743 24.975 6.586 1.00 52.96 C ATOM 1363 CG LYS A 87 5.253 25.952 5.515 1.00 55.49 C ATOM 1364 CD LYS A 87 4.009 25.380 4.833 1.00 56.64 C ATOM 1365 CE LYS A 87 3.072 26.523 4.436 1.00 58.91 C ATOM 1366 NZ LYS A 87 2.388 27.051 5.650 1.00 58.16 N ATOM 1367 OXT LYS A 87 8.718 25.078 6.272 1.00 57.66 O ATOM 0 H LYS A 87 5.878 22.041 5.387 1.00 51.78 H new ATOM 0 HA LYS A 87 6.719 24.109 4.871 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.894 24.476 7.054 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.269 25.515 7.373 1.00 52.96 H new ATOM 0 HG2 LYS A 87 5.022 26.917 5.966 1.00 55.49 H new ATOM 0 HG3 LYS A 87 6.038 26.124 4.778 1.00 55.49 H new ATOM 0 HD2 LYS A 87 4.296 24.808 3.951 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.496 24.693 5.506 1.00 56.64 H new ATOM 0 HE2 LYS A 87 3.637 27.318 3.950 1.00 58.91 H new ATOM 0 HE3 LYS A 87 2.335 26.169 3.715 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 1.522 27.554 5.369 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 2.141 26.262 6.280 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 3.023 27.707 6.149 1.00 58.16 H new ATOM 1382 N MET B 1 1.696 16.580 -2.087 1.00 42.32 N ATOM 1383 CA MET B 1 0.386 16.867 -2.739 1.00 40.89 C ATOM 1384 C MET B 1 0.029 15.723 -3.688 1.00 34.75 C ATOM 1385 O MET B 1 -1.073 15.213 -3.676 1.00 33.97 O ATOM 1386 CB MET B 1 0.489 18.176 -3.533 1.00 48.45 C ATOM 1387 CG MET B 1 -0.685 18.288 -4.515 1.00 56.13 C ATOM 1388 SD MET B 1 -1.539 19.862 -4.251 1.00 64.91 S ATOM 1389 CE MET B 1 -0.103 20.938 -4.485 1.00 63.43 C ATOM 0 H1 MET B 1 1.932 17.349 -1.428 1.00 42.32 H new ATOM 0 H2 MET B 1 1.634 15.683 -1.564 1.00 42.32 H new ATOM 0 H3 MET B 1 2.437 16.507 -2.813 1.00 42.32 H new ATOM 0 HA MET B 1 -0.388 16.962 -1.977 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.485 19.026 -2.851 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.433 18.208 -4.077 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.323 18.225 -5.541 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.376 17.458 -4.370 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.413 21.854 -4.987 1.00 63.43 H new ATOM 0 HE2 MET B 1 0.329 21.184 -3.515 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.641 20.424 -5.094 1.00 63.43 H new ATOM 1401 N ILE B 2 0.951 15.331 -4.522 1.00 28.59 N ATOM 1402 CA ILE B 2 0.666 14.234 -5.491 1.00 24.58 C ATOM 1403 C ILE B 2 -0.214 14.811 -6.597 1.00 19.29 C ATOM 1404 O ILE B 2 -1.423 14.727 -6.549 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.066 13.090 -4.788 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.577 12.817 -3.429 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.027 11.826 -5.642 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.488 12.303 -2.464 1.00 33.80 C ATOM 0 H ILE B 2 1.891 15.723 -4.575 1.00 28.59 H new ATOM 0 HA ILE B 2 1.595 13.841 -5.905 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.110 13.370 -4.648 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.376 12.083 -3.532 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.030 13.728 -3.038 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.494 11.010 -5.142 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.432 12.009 -6.614 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.074 11.557 -5.781 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.034 12.107 -1.493 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.271 13.053 -2.354 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.920 11.382 -2.856 1.00 33.80 H new ATOM 1420 N LYS B 3 0.386 15.437 -7.571 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.414 16.073 -8.657 1.00 16.66 C ATOM 1422 C LYS B 3 -0.862 15.058 -9.705 1.00 14.94 C ATOM 1423 O LYS B 3 -0.482 13.904 -9.691 1.00 13.94 O ATOM 1424 CB LYS B 3 0.423 17.163 -9.328 1.00 16.94 C ATOM 1425 CG LYS B 3 0.588 18.341 -8.366 1.00 17.85 C ATOM 1426 CD LYS B 3 1.547 19.367 -8.971 1.00 19.63 C ATOM 1427 CE LYS B 3 0.772 20.630 -9.349 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.922 21.648 -8.270 1.00 32.72 N ATOM 0 H LYS B 3 1.397 15.536 -7.663 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.309 16.502 -8.207 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.400 16.767 -9.607 1.00 16.94 H new ATOM 0 HB3 LYS B 3 -0.061 17.494 -10.247 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.380 18.803 -8.172 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.972 17.990 -7.408 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.334 19.610 -8.257 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.034 18.949 -9.852 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.143 21.028 -10.293 1.00 26.28 H new ATOM 0 HE3 LYS B 3 -0.282 20.393 -9.496 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.395 22.507 -8.527 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 0.548 21.266 -7.378 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 1.928 21.882 -8.151 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.685 15.507 -10.615 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.201 14.619 -11.690 1.00 12.99 C ATOM 1444 C VAL B 4 -3.138 15.428 -12.590 1.00 14.26 C ATOM 1445 O VAL B 4 -3.527 16.533 -12.270 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.955 13.434 -11.055 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.610 13.889 -9.754 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -4.038 12.905 -12.010 1.00 10.41 C ATOM 0 H VAL B 4 -2.025 16.468 -10.657 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.377 14.229 -12.287 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.242 12.634 -10.855 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.144 13.052 -9.303 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.843 14.244 -9.065 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.312 14.697 -9.963 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.558 12.069 -11.543 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.751 13.700 -12.228 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.573 12.570 -12.937 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.496 14.883 -13.716 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.402 15.607 -14.647 1.00 10.51 C ATOM 1460 C GLU B 5 -5.375 14.623 -15.277 1.00 10.00 C ATOM 1461 O GLU B 5 -5.001 13.770 -16.058 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.577 16.277 -15.744 1.00 10.42 C ATOM 1463 CG GLU B 5 -3.066 17.622 -15.236 1.00 18.68 C ATOM 1464 CD GLU B 5 -2.298 18.334 -16.351 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -2.662 18.155 -17.502 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.359 19.047 -16.035 1.00 19.38 O ATOM 0 H GLU B 5 -3.198 13.961 -14.034 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.957 16.365 -14.095 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.739 15.639 -16.027 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -4.185 16.419 -16.637 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.902 18.239 -14.905 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.418 17.473 -14.372 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.626 14.742 -14.952 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.627 13.819 -15.555 1.00 10.60 C ATOM 1475 C ILE B 6 -7.787 14.213 -17.033 1.00 10.16 C ATOM 1476 O ILE B 6 -8.394 15.214 -17.357 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.966 13.911 -14.781 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -9.082 12.713 -13.835 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -10.154 13.891 -15.738 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.453 13.060 -12.486 1.00 13.81 C ATOM 0 H ILE B 6 -7.001 15.432 -14.300 1.00 9.86 H new ATOM 0 HA ILE B 6 -7.299 12.782 -15.492 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.977 14.848 -14.224 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -10.130 12.444 -13.700 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.583 11.846 -14.268 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -11.081 13.957 -15.169 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -10.086 14.739 -16.420 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -10.145 12.963 -16.310 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.537 12.205 -11.815 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.401 13.308 -12.628 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.972 13.915 -12.052 1.00 13.81 H new ATOM 1492 N LYS B 7 -7.224 13.440 -17.927 1.00 11.63 N ATOM 1493 CA LYS B 7 -7.314 13.770 -19.376 1.00 11.59 C ATOM 1494 C LYS B 7 -8.771 14.021 -19.770 1.00 12.98 C ATOM 1495 O LYS B 7 -9.680 13.620 -19.070 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.773 12.590 -20.183 1.00 12.52 C ATOM 1497 CG LYS B 7 -5.394 12.926 -20.757 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.528 13.615 -19.699 1.00 15.70 C ATOM 1499 CE LYS B 7 -4.175 15.021 -20.171 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.649 16.020 -19.172 1.00 25.43 N ATOM 0 H LYS B 7 -6.703 12.590 -17.711 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.731 14.669 -19.579 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.705 11.707 -19.548 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -7.462 12.348 -20.992 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.904 12.015 -21.100 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -5.503 13.575 -21.626 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -5.062 13.661 -18.750 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.619 13.039 -19.525 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -3.097 15.110 -20.305 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -4.634 15.216 -21.140 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -5.328 16.666 -19.623 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -5.112 15.528 -18.382 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.838 16.564 -18.814 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.946 14.665 -20.897 1.00 13.56 N ATOM 1515 CA PRO B 8 -10.280 14.969 -21.433 1.00 11.93 C ATOM 1516 C PRO B 8 -10.873 13.704 -22.047 1.00 10.20 C ATOM 1517 O PRO B 8 -12.067 13.584 -22.234 1.00 12.05 O ATOM 1518 CB PRO B 8 -10.011 16.038 -22.495 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.526 15.886 -22.898 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.831 15.144 -21.740 1.00 13.61 C ATOM 0 HA PRO B 8 -10.992 15.315 -20.684 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.664 15.902 -23.357 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -10.207 17.035 -22.101 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.432 15.327 -23.829 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -8.068 16.861 -23.064 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -7.223 14.316 -22.105 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -7.167 15.806 -21.184 1.00 13.61 H new ATOM 1528 N SER B 9 -10.035 12.750 -22.341 1.00 10.65 N ATOM 1529 CA SER B 9 -10.526 11.472 -22.921 1.00 10.83 C ATOM 1530 C SER B 9 -10.794 10.486 -21.781 1.00 10.94 C ATOM 1531 O SER B 9 -11.067 9.323 -22.002 1.00 13.16 O ATOM 1532 CB SER B 9 -9.466 10.893 -23.861 1.00 13.01 C ATOM 1533 OG SER B 9 -8.700 9.921 -23.163 1.00 15.52 O ATOM 0 H SER B 9 -9.026 12.802 -22.203 1.00 10.65 H new ATOM 0 HA SER B 9 -11.443 11.648 -23.484 1.00 10.83 H new ATOM 0 HB2 SER B 9 -9.943 10.441 -24.731 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.817 11.688 -24.230 1.00 13.01 H new ATOM 0 HG SER B 9 -8.021 9.547 -23.763 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.730 10.950 -20.559 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.994 10.049 -19.400 1.00 11.55 C ATOM 1541 C GLN B 10 -11.633 10.857 -18.269 1.00 13.72 C ATOM 1542 O GLN B 10 -11.335 10.661 -17.108 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.698 9.403 -18.896 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.513 10.326 -19.146 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.746 10.535 -17.839 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -6.539 10.397 -17.801 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -8.399 10.864 -16.759 1.00 4.80 N ATOM 0 H GLN B 10 -10.506 11.915 -20.315 1.00 10.02 H new ATOM 0 HA GLN B 10 -11.668 9.256 -19.724 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -9.782 9.188 -17.831 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.538 8.451 -19.401 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.856 9.895 -19.901 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -8.860 11.284 -19.534 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -9.412 10.980 -16.791 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.897 11.005 -15.883 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.508 11.769 -18.601 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.164 12.594 -17.547 1.00 18.95 C ATOM 1558 C ALA B 11 -14.474 11.933 -17.115 1.00 20.75 C ATOM 1559 O ALA B 11 -15.240 12.489 -16.353 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.454 13.991 -18.100 1.00 17.72 C ATOM 0 H ALA B 11 -12.796 11.978 -19.557 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.500 12.674 -16.686 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.934 14.595 -17.330 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.520 14.464 -18.402 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -14.116 13.911 -18.963 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.734 10.749 -17.591 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.990 10.048 -17.206 1.00 25.43 C ATOM 1568 C GLN B 12 -15.648 8.652 -16.689 1.00 22.80 C ATOM 1569 O GLN B 12 -14.621 8.093 -17.020 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.903 9.931 -18.427 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.770 11.185 -18.529 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.753 11.036 -19.691 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.514 11.536 -20.772 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.858 10.364 -19.513 1.00 47.90 N ATOM 0 H GLN B 12 -14.130 10.235 -18.232 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.501 10.612 -16.426 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.307 9.812 -19.332 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -17.532 9.045 -18.342 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -18.314 11.340 -17.597 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.142 12.062 -18.681 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -20.059 9.944 -18.605 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -20.520 10.259 -20.281 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.494 8.081 -15.877 1.00 21.61 N ATOM 1584 CA PHE B 13 -16.206 6.726 -15.344 1.00 20.51 C ATOM 1585 C PHE B 13 -16.923 5.684 -16.197 1.00 18.83 C ATOM 1586 O PHE B 13 -17.871 5.983 -16.895 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.726 6.632 -13.915 1.00 19.56 C ATOM 1588 CG PHE B 13 -18.201 6.955 -13.924 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -19.134 5.969 -14.267 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.636 8.247 -13.602 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.499 6.278 -14.285 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.997 8.554 -13.621 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.927 7.573 -13.961 1.00 18.48 C ATOM 0 H PHE B 13 -17.371 8.496 -15.561 1.00 21.61 H new ATOM 0 HA PHE B 13 -15.131 6.546 -15.365 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.559 5.632 -13.515 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -16.189 7.327 -13.269 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.801 4.972 -14.517 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.916 9.008 -13.338 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -21.222 5.520 -14.548 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -20.330 9.551 -13.372 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.980 7.811 -13.975 1.00 18.48 H new ATOM 1603 N THR B 14 -16.490 4.461 -16.130 1.00 14.89 N ATOM 1604 CA THR B 14 -17.159 3.397 -16.920 1.00 13.37 C ATOM 1605 C THR B 14 -17.533 2.252 -15.986 1.00 11.97 C ATOM 1606 O THR B 14 -16.997 2.121 -14.903 1.00 10.76 O ATOM 1607 CB THR B 14 -16.216 2.879 -18.006 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.878 1.876 -18.765 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.965 2.287 -17.356 1.00 9.24 C ATOM 0 H THR B 14 -15.701 4.151 -15.562 1.00 14.89 H new ATOM 0 HA THR B 14 -18.053 3.803 -17.393 1.00 13.37 H new ATOM 0 HB THR B 14 -15.928 3.701 -18.662 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.276 1.543 -19.463 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.293 1.918 -18.130 1.00 9.24 H new ATOM 0 HG22 THR B 14 -14.459 3.057 -16.773 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.250 1.464 -16.701 1.00 9.24 H new ATOM 1617 N THR B 15 -18.442 1.420 -16.394 1.00 13.20 N ATOM 1618 CA THR B 15 -18.842 0.284 -15.527 1.00 12.54 C ATOM 1619 C THR B 15 -18.051 -0.956 -15.936 1.00 14.34 C ATOM 1620 O THR B 15 -18.284 -1.540 -16.976 1.00 17.35 O ATOM 1621 CB THR B 15 -20.335 0.013 -15.692 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.005 1.230 -15.989 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.889 -0.576 -14.397 1.00 8.30 C ATOM 0 H THR B 15 -18.926 1.477 -17.290 1.00 13.20 H new ATOM 0 HA THR B 15 -18.635 0.527 -14.485 1.00 12.54 H new ATOM 0 HB THR B 15 -20.492 -0.694 -16.507 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.854 1.872 -15.264 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.955 -0.770 -14.513 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.372 -1.509 -14.171 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.735 0.130 -13.581 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.098 -1.434 -9.905 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.304 -0.017 -9.493 1.00 16.31 C ATOM 1818 C LEU B 28 -17.701 0.919 -10.545 1.00 14.21 C ATOM 1819 O LEU B 28 -16.608 0.704 -11.029 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.626 0.225 -8.144 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.685 0.555 -7.090 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.696 -0.536 -6.017 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -18.357 1.904 -6.444 1.00 22.01 C ATOM 0 HA LEU B 28 -19.372 0.182 -9.404 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.063 -0.659 -7.844 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.912 1.045 -8.226 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.665 0.607 -7.563 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.450 -0.301 -5.266 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.929 -1.496 -6.477 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.716 -0.589 -5.542 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -19.111 2.141 -5.693 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -17.377 1.852 -5.971 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -18.350 2.681 -7.208 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.409 1.957 -10.901 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.883 2.911 -11.920 1.00 9.77 C ATOM 1837 C ASN B 29 -16.406 3.207 -11.638 1.00 7.94 C ATOM 1838 O ASN B 29 -16.016 3.457 -10.515 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.687 4.210 -11.855 1.00 14.73 C ATOM 1840 CG ASN B 29 -20.057 3.993 -12.499 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.195 3.200 -13.409 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -21.085 4.667 -12.061 1.00 12.89 N ATOM 0 H ASN B 29 -19.331 2.186 -10.529 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.976 2.471 -12.913 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.806 4.525 -10.818 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.153 5.007 -12.371 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -22.003 4.528 -12.483 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.970 5.333 -11.297 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.585 3.181 -12.652 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.132 3.462 -12.453 1.00 13.16 C ATOM 1851 C GLU B 30 -13.703 4.588 -13.398 1.00 12.26 C ATOM 1852 O GLU B 30 -14.374 4.883 -14.366 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.326 2.201 -12.766 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.352 1.264 -11.557 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.926 1.054 -11.044 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.062 0.763 -11.855 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -11.721 1.188 -9.848 1.00 38.01 O ATOM 0 H GLU B 30 -15.858 2.977 -13.613 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.953 3.762 -11.421 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.743 1.698 -13.638 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.298 2.466 -13.012 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.975 1.687 -10.769 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.795 0.307 -11.834 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.591 5.218 -13.129 1.00 10.34 N ATOM 1865 CA GLN B 31 -12.126 6.323 -14.018 1.00 9.46 C ATOM 1866 C GLN B 31 -10.607 6.240 -14.189 1.00 10.09 C ATOM 1867 O GLN B 31 -9.975 5.294 -13.761 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.496 7.674 -13.395 1.00 7.25 C ATOM 1869 CG GLN B 31 -13.076 8.599 -14.468 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.077 9.718 -14.772 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.941 9.457 -15.115 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.455 10.962 -14.661 1.00 12.39 N ATOM 0 H GLN B 31 -11.985 5.016 -12.334 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.607 6.228 -14.992 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.223 7.529 -12.595 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.614 8.131 -12.946 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -13.291 8.033 -15.374 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -14.020 9.023 -14.126 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.409 11.182 -14.373 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.797 11.715 -14.862 1.00 12.39 H new ATOM 1881 N LEU B 32 -10.017 7.223 -14.813 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.540 7.202 -15.016 1.00 10.34 C ATOM 1883 C LEU B 32 -7.947 8.548 -14.579 1.00 9.02 C ATOM 1884 O LEU B 32 -8.665 9.482 -14.285 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.240 6.953 -16.497 1.00 10.20 C ATOM 1886 CG LEU B 32 -9.045 5.745 -16.980 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -10.316 6.227 -17.682 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.199 4.926 -17.958 1.00 15.89 C ATOM 0 H LEU B 32 -10.495 8.041 -15.192 1.00 6.80 H new ATOM 0 HA LEU B 32 -8.094 6.406 -14.420 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.497 7.834 -17.085 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.174 6.775 -16.639 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.316 5.123 -16.127 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.890 5.367 -18.026 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.918 6.809 -16.985 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -10.047 6.849 -18.536 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.772 4.065 -18.302 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.927 5.546 -18.812 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.294 4.582 -17.457 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.644 8.656 -14.528 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.018 9.940 -14.103 1.00 8.10 C ATOM 1902 C CYS B 33 -4.554 9.943 -14.543 1.00 6.34 C ATOM 1903 O CYS B 33 -3.948 8.904 -14.705 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.087 10.099 -12.575 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.538 8.531 -11.779 1.00 13.84 S ATOM 0 H CYS B 33 -5.989 7.910 -14.762 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.557 10.768 -14.563 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.123 10.439 -12.197 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.818 10.865 -12.318 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.752 8.316 -10.766 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.981 11.097 -14.739 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.558 11.156 -15.176 1.00 7.08 C ATOM 1913 C TYR B 34 -1.710 11.813 -14.082 1.00 7.71 C ATOM 1914 O TYR B 34 -1.742 13.014 -13.911 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.461 12.003 -16.443 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.778 11.173 -17.669 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.794 10.351 -18.235 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -4.044 11.253 -18.257 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -2.074 9.617 -19.387 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -4.326 10.511 -19.409 1.00 17.22 C ATOM 1921 CZ TYR B 34 -3.339 9.698 -19.974 1.00 16.83 C ATOM 1922 OH TYR B 34 -3.616 8.971 -21.114 1.00 21.14 O ATOM 0 H TYR B 34 -4.436 12.002 -14.616 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.196 10.146 -15.366 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -3.152 12.843 -16.378 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.458 12.421 -16.531 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.818 10.286 -17.778 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -4.803 11.887 -17.823 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -1.314 8.987 -19.825 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -5.305 10.566 -19.861 1.00 17.22 H new ATOM 0 HH TYR B 34 -4.540 9.139 -21.393 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.950 11.050 -13.340 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.112 11.666 -12.271 1.00 10.66 C ATOM 1934 C VAL B 35 1.156 12.256 -12.892 1.00 10.57 C ATOM 1935 O VAL B 35 1.495 11.974 -14.024 1.00 8.31 O ATOM 1936 CB VAL B 35 0.261 10.615 -11.225 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.293 11.207 -10.261 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -0.996 10.217 -10.447 1.00 9.86 C ATOM 0 H VAL B 35 -0.874 10.037 -13.427 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.679 12.460 -11.784 1.00 10.66 H new ATOM 0 HB VAL B 35 0.683 9.737 -11.714 1.00 10.22 H new ATOM 0 HG11 VAL B 35 1.562 10.461 -9.513 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.183 11.501 -10.817 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.869 12.081 -9.766 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -0.739 9.467 -9.699 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.411 11.095 -9.953 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.734 9.804 -11.135 1.00 9.86 H new ATOM 1948 N ASP B 36 1.854 13.081 -12.161 1.00 8.58 N ATOM 1949 CA ASP B 36 3.089 13.699 -12.700 1.00 11.48 C ATOM 1950 C ASP B 36 4.181 13.681 -11.633 1.00 12.38 C ATOM 1951 O ASP B 36 5.279 13.217 -11.866 1.00 11.89 O ATOM 1952 CB ASP B 36 2.802 15.145 -13.091 1.00 16.17 C ATOM 1953 CG ASP B 36 2.240 15.193 -14.513 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.944 14.783 -15.422 1.00 25.89 O ATOM 1955 OD2 ASP B 36 1.116 15.641 -14.670 1.00 15.67 O ATOM 0 H ASP B 36 1.617 13.353 -11.207 1.00 8.58 H new ATOM 0 HA ASP B 36 3.420 13.137 -13.573 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.090 15.586 -12.393 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.716 15.736 -13.031 1.00 16.17 H new ATOM 1960 N LEU B 37 3.888 14.186 -10.465 1.00 13.17 N ATOM 1961 CA LEU B 37 4.906 14.199 -9.378 1.00 18.47 C ATOM 1962 C LEU B 37 5.643 12.864 -9.369 1.00 21.14 C ATOM 1963 O LEU B 37 6.852 12.804 -9.261 1.00 24.24 O ATOM 1964 CB LEU B 37 4.207 14.388 -8.032 1.00 15.81 C ATOM 1965 CG LEU B 37 5.196 14.906 -6.977 1.00 20.59 C ATOM 1966 CD1 LEU B 37 6.615 14.388 -7.249 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.202 16.436 -6.998 1.00 20.01 C ATOM 0 H LEU B 37 2.985 14.591 -10.217 1.00 13.17 H new ATOM 0 HA LEU B 37 5.610 15.014 -9.546 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.381 15.091 -8.141 1.00 15.81 H new ATOM 0 HB3 LEU B 37 3.778 13.441 -7.703 1.00 15.81 H new ATOM 0 HG LEU B 37 4.879 14.544 -5.999 1.00 20.59 H new ATOM 0 HD11 LEU B 37 7.294 14.770 -6.487 1.00 14.72 H new ATOM 0 HD12 LEU B 37 6.616 13.298 -7.222 1.00 14.72 H new ATOM 0 HD13 LEU B 37 6.944 14.727 -8.231 1.00 14.72 H new ATOM 0 HD21 LEU B 37 5.903 16.807 -6.250 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.505 16.785 -7.985 1.00 20.01 H new ATOM 0 HD23 LEU B 37 4.202 16.807 -6.774 1.00 20.01 H new ATOM 1979 N GLY B 38 4.915 11.795 -9.481 1.00 20.70 N ATOM 1980 CA GLY B 38 5.554 10.452 -9.479 1.00 23.91 C ATOM 1981 C GLY B 38 5.940 10.064 -10.907 1.00 26.50 C ATOM 1982 O GLY B 38 5.926 8.904 -11.268 1.00 31.02 O ATOM 0 H GLY B 38 3.899 11.791 -9.574 1.00 20.70 H new ATOM 0 HA2 GLY B 38 6.439 10.460 -8.842 1.00 23.91 H new ATOM 0 HA3 GLY B 38 4.869 9.713 -9.063 1.00 23.91 H new ATOM 1986 N ASN B 39 6.284 11.027 -11.722 1.00 27.64 N ATOM 1987 CA ASN B 39 6.670 10.718 -13.130 1.00 30.27 C ATOM 1988 C ASN B 39 6.570 11.988 -13.980 1.00 26.79 C ATOM 1989 O ASN B 39 5.507 12.553 -14.145 1.00 26.87 O ATOM 1990 CB ASN B 39 5.728 9.653 -13.699 1.00 35.62 C ATOM 1991 CG ASN B 39 4.302 9.913 -13.208 1.00 41.31 C ATOM 1992 OD1 ASN B 39 3.687 10.891 -13.584 1.00 43.23 O ATOM 1993 ND2 ASN B 39 3.745 9.072 -12.378 1.00 39.63 N ATOM 0 H ASN B 39 6.314 12.016 -11.472 1.00 27.64 H new ATOM 0 HA ASN B 39 7.694 10.346 -13.148 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.757 9.672 -14.788 1.00 35.62 H new ATOM 0 HB3 ASN B 39 6.055 8.661 -13.389 1.00 35.62 H new ATOM 0 HD21 ASN B 39 2.795 9.237 -12.046 1.00 39.63 H new ATOM 0 HD22 ASN B 39 4.260 8.251 -12.062 1.00 39.63 H new ATOM 2000 N GLU B 40 7.671 12.440 -14.519 1.00 25.15 N ATOM 2001 CA GLU B 40 7.647 13.670 -15.359 1.00 23.81 C ATOM 2002 C GLU B 40 6.430 13.636 -16.277 1.00 21.12 C ATOM 2003 O GLU B 40 5.526 14.440 -16.164 1.00 19.86 O ATOM 2004 CB GLU B 40 8.927 13.746 -16.195 1.00 27.22 C ATOM 2005 CG GLU B 40 9.803 14.888 -15.681 1.00 34.87 C ATOM 2006 CD GLU B 40 9.612 16.118 -16.571 1.00 38.97 C ATOM 2007 OE1 GLU B 40 8.604 16.787 -16.414 1.00 42.34 O ATOM 2008 OE2 GLU B 40 10.476 16.368 -17.394 1.00 39.54 O ATOM 0 H GLU B 40 8.589 12.008 -14.412 1.00 25.15 H new ATOM 0 HA GLU B 40 7.587 14.548 -14.716 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.469 12.802 -16.136 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.680 13.907 -17.244 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.540 15.127 -14.651 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.850 14.585 -15.680 1.00 34.87 H new ATOM 2015 N HIS B 41 6.396 12.698 -17.170 1.00 3.37 N ATOM 2016 CA HIS B 41 5.230 12.586 -18.091 1.00 3.19 C ATOM 2017 C HIS B 41 4.021 12.145 -17.269 1.00 2.85 C ATOM 2018 O HIS B 41 4.179 11.673 -16.161 1.00 2.36 O ATOM 2019 CB HIS B 41 5.528 11.542 -19.172 1.00 3.45 C ATOM 2020 CG HIS B 41 6.914 11.757 -19.713 1.00 3.45 C ATOM 2021 ND1 HIS B 41 7.507 13.009 -19.755 1.00 3.74 N ATOM 2022 CD2 HIS B 41 7.837 10.888 -20.241 1.00 3.29 C ATOM 2023 CE1 HIS B 41 8.732 12.860 -20.292 1.00 3.75 C ATOM 2024 NE2 HIS B 41 8.983 11.587 -20.606 1.00 3.49 N ATOM 0 H HIS B 41 7.126 11.998 -17.307 1.00 3.37 H new ATOM 0 HA HIS B 41 5.032 13.543 -18.573 1.00 3.19 H new ATOM 0 HB2 HIS B 41 5.441 10.538 -18.756 1.00 3.45 H new ATOM 0 HB3 HIS B 41 4.797 11.618 -19.977 1.00 3.45 H new ATOM 0 HD2 HIS B 41 7.695 9.824 -20.355 1.00 3.29 H new ATOM 0 HE1 HIS B 41 9.427 13.671 -20.450 1.00 3.75 H new ATOM 0 HE2 HIS B 41 9.833 11.208 -21.024 1.00 3.49 H new ATOM 2032 N PRO B 42 2.848 12.311 -17.817 1.00 15.11 N ATOM 2033 CA PRO B 42 1.616 11.930 -17.120 1.00 16.08 C ATOM 2034 C PRO B 42 1.425 10.418 -17.202 1.00 17.92 C ATOM 2035 O PRO B 42 1.683 9.802 -18.217 1.00 17.13 O ATOM 2036 CB PRO B 42 0.520 12.654 -17.896 1.00 16.41 C ATOM 2037 CG PRO B 42 1.091 12.917 -19.303 1.00 13.79 C ATOM 2038 CD PRO B 42 2.630 12.881 -19.163 1.00 16.28 C ATOM 0 HA PRO B 42 1.619 12.191 -16.062 1.00 16.08 H new ATOM 0 HB2 PRO B 42 -0.384 12.048 -17.950 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.248 13.589 -17.405 1.00 16.41 H new ATOM 0 HG2 PRO B 42 0.747 12.161 -20.009 1.00 13.79 H new ATOM 0 HG3 PRO B 42 0.758 13.883 -19.683 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.088 12.265 -19.937 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.063 13.877 -19.251 1.00 16.28 H new ATOM 2046 N VAL B 43 0.971 9.818 -16.146 1.00 16.29 N ATOM 2047 CA VAL B 43 0.755 8.348 -16.164 1.00 14.28 C ATOM 2048 C VAL B 43 -0.730 8.063 -15.977 1.00 9.00 C ATOM 2049 O VAL B 43 -1.300 8.340 -14.941 1.00 7.99 O ATOM 2050 CB VAL B 43 1.546 7.696 -15.035 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.033 7.676 -15.396 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.344 8.491 -13.742 1.00 20.57 C ATOM 0 H VAL B 43 0.739 10.281 -15.267 1.00 16.29 H new ATOM 0 HA VAL B 43 1.093 7.940 -17.117 1.00 14.28 H new ATOM 0 HB VAL B 43 1.195 6.674 -14.891 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.597 7.210 -14.588 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.177 7.107 -16.315 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.386 8.697 -15.543 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.910 8.024 -12.936 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.693 9.514 -13.885 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.285 8.502 -13.483 1.00 20.57 H new ATOM 2062 N LEU B 44 -1.363 7.518 -16.973 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.812 7.228 -16.858 1.00 11.55 C ATOM 2064 C LEU B 44 -3.038 6.088 -15.868 1.00 10.61 C ATOM 2065 O LEU B 44 -2.761 4.939 -16.149 1.00 13.49 O ATOM 2066 CB LEU B 44 -3.362 6.835 -18.223 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.873 6.671 -18.123 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -5.498 7.999 -17.689 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -5.434 6.262 -19.487 1.00 20.21 C ATOM 0 H LEU B 44 -0.937 7.261 -17.863 1.00 10.19 H new ATOM 0 HA LEU B 44 -3.328 8.119 -16.500 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -3.115 7.597 -18.962 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.904 5.905 -18.559 1.00 10.60 H new ATOM 0 HG LEU B 44 -5.109 5.900 -17.390 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -6.580 7.886 -17.616 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -5.098 8.289 -16.718 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -5.263 8.769 -18.423 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -6.515 6.145 -19.415 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -5.201 7.032 -20.222 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.986 5.318 -19.796 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.550 6.402 -14.714 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.809 5.345 -13.698 1.00 9.29 C ATOM 2083 C VAL B 45 -5.323 5.141 -13.579 1.00 9.95 C ATOM 2084 O VAL B 45 -6.103 5.958 -14.025 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.183 5.769 -12.356 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -4.231 5.830 -11.234 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.095 4.761 -11.975 1.00 10.20 C ATOM 0 H VAL B 45 -3.802 7.348 -14.428 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.356 4.399 -13.994 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.761 6.767 -12.476 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.751 6.133 -10.304 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -5.003 6.554 -11.496 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.684 4.847 -11.105 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.645 5.052 -11.026 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -2.536 3.769 -11.878 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.328 4.743 -12.749 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.744 4.059 -12.988 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.207 3.812 -12.855 1.00 12.81 C ATOM 2099 C LYS B 46 -7.731 4.484 -11.585 1.00 13.35 C ATOM 2100 O LYS B 46 -6.974 4.952 -10.758 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.469 2.307 -12.781 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.841 1.617 -13.994 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.532 2.099 -15.271 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.945 1.516 -15.340 1.00 34.48 C ATOM 2105 NZ LYS B 46 -9.900 2.447 -14.676 1.00 36.74 N ATOM 0 H LYS B 46 -5.142 3.337 -12.592 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.721 4.228 -13.722 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -7.050 1.899 -11.861 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.542 2.115 -12.756 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.775 1.838 -14.040 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.939 0.535 -13.901 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.576 3.188 -15.284 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.958 1.792 -16.145 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.235 1.361 -16.379 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.972 0.542 -14.852 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -10.249 2.017 -13.796 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -9.417 3.341 -14.456 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -10.701 2.634 -15.312 1.00 36.74 H new ATOM 2119 N ILE B 47 -9.026 4.532 -11.423 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.601 5.168 -10.210 1.00 16.93 C ATOM 2121 C ILE B 47 -11.007 4.610 -9.961 1.00 16.52 C ATOM 2122 O ILE B 47 -11.555 3.895 -10.777 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.641 6.697 -10.403 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.367 7.380 -9.070 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.008 7.155 -10.921 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.004 8.068 -9.125 1.00 18.26 C ATOM 0 H ILE B 47 -9.709 4.157 -12.081 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.981 4.945 -9.341 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.881 6.967 -11.136 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.147 8.110 -8.856 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.385 6.648 -8.263 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.005 8.238 -11.047 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -11.212 6.679 -11.880 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.781 6.875 -10.205 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.805 8.558 -8.172 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.230 7.326 -9.320 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.004 8.811 -9.922 1.00 18.26 H new ATOM 2138 N THR B 48 -11.593 4.931 -8.842 1.00 16.86 N ATOM 2139 CA THR B 48 -12.959 4.418 -8.544 1.00 16.59 C ATOM 2140 C THR B 48 -13.970 5.560 -8.667 1.00 19.04 C ATOM 2141 O THR B 48 -13.666 6.704 -8.393 1.00 22.56 O ATOM 2142 CB THR B 48 -12.988 3.856 -7.123 1.00 16.30 C ATOM 2143 OG1 THR B 48 -12.242 2.648 -7.077 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.434 3.583 -6.705 1.00 16.02 C ATOM 0 H THR B 48 -11.185 5.526 -8.121 1.00 16.86 H new ATOM 0 HA THR B 48 -13.218 3.630 -9.251 1.00 16.59 H new ATOM 0 HB THR B 48 -12.548 4.581 -6.438 1.00 16.30 H new ATOM 0 HG1 THR B 48 -12.132 2.297 -7.985 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.450 3.182 -5.691 1.00 16.02 H new ATOM 0 HG22 THR B 48 -15.004 4.512 -6.737 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.880 2.860 -7.388 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.171 5.260 -9.078 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.200 6.323 -9.219 1.00 18.82 C ATOM 2154 C LEU B 49 -17.470 5.880 -8.487 1.00 20.06 C ATOM 2155 O LEU B 49 -18.126 4.934 -8.877 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.490 6.540 -10.712 1.00 18.79 C ATOM 2157 CG LEU B 49 -17.337 7.800 -10.941 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.822 7.427 -10.935 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -17.072 8.850 -9.853 1.00 14.50 C ATOM 0 H LEU B 49 -15.483 4.320 -9.323 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.847 7.259 -8.786 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.550 6.627 -11.258 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.012 5.671 -11.113 1.00 18.79 H new ATOM 0 HG LEU B 49 -17.062 8.226 -11.906 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -19.423 8.322 -11.098 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -19.020 6.708 -11.730 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -19.082 6.985 -9.973 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -17.685 9.731 -10.041 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -17.323 8.434 -8.877 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -16.019 9.131 -9.867 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.807 6.545 -7.417 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.019 6.157 -6.640 1.00 27.04 C ATOM 2173 C ASP B 50 -20.269 6.293 -7.509 1.00 27.73 C ATOM 2174 O ASP B 50 -20.429 7.248 -8.242 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.146 7.070 -5.418 1.00 29.11 C ATOM 2176 CG ASP B 50 -20.518 6.874 -4.771 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -21.475 7.435 -5.279 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -20.588 6.168 -3.779 1.00 33.99 O ATOM 0 H ASP B 50 -17.293 7.344 -7.045 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.923 5.119 -6.320 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.358 6.844 -4.699 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.018 8.111 -5.714 1.00 29.11 H new ATOM 2183 N GLU B 51 -21.165 5.346 -7.421 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.412 5.423 -8.229 1.00 34.22 C ATOM 2185 C GLU B 51 -23.109 6.752 -7.933 1.00 34.98 C ATOM 2186 O GLU B 51 -23.394 7.074 -6.797 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.332 4.256 -7.855 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.751 4.532 -8.358 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.297 3.286 -9.059 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.013 3.120 -10.234 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.990 2.520 -8.410 1.00 53.83 O ATOM 0 H GLU B 51 -21.085 4.523 -6.824 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.176 5.363 -9.291 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.956 3.330 -8.291 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.340 4.119 -6.774 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -25.397 4.805 -7.524 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.746 5.377 -9.047 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.375 7.531 -8.943 1.00 34.53 N ATOM 2199 CA GLY B 52 -24.040 8.842 -8.714 1.00 34.93 C ATOM 2200 C GLY B 52 -22.979 9.943 -8.704 1.00 36.10 C ATOM 2201 O GLY B 52 -23.230 11.066 -9.095 1.00 35.97 O ATOM 0 H GLY B 52 -23.161 7.316 -9.917 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.774 9.034 -9.497 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.579 8.830 -7.767 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.790 9.626 -8.265 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.709 10.649 -8.235 1.00 35.40 C ATOM 2207 C GLN B 53 -20.224 10.909 -9.663 1.00 31.02 C ATOM 2208 O GLN B 53 -20.204 10.012 -10.480 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.542 10.132 -7.390 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.469 10.920 -6.081 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.007 11.086 -5.665 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.110 10.917 -6.467 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.726 11.414 -4.433 1.00 54.76 N ATOM 0 H GLN B 53 -21.522 8.702 -7.926 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.091 11.573 -7.801 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.674 9.070 -7.181 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.607 10.235 -7.941 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.935 11.897 -6.206 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.023 10.400 -5.300 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.478 11.556 -3.759 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.754 11.528 -4.145 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.842 12.132 -9.919 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.345 12.543 -11.240 1.00 23.44 C ATOM 2224 C PRO B 54 -17.894 12.091 -11.417 1.00 20.14 C ATOM 2225 O PRO B 54 -17.017 12.497 -10.680 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.446 14.067 -11.207 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.450 14.468 -9.717 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.869 13.218 -8.921 1.00 28.37 C ATOM 0 HA PRO B 54 -19.905 12.108 -12.068 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.606 14.524 -11.730 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.354 14.407 -11.704 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.463 14.811 -9.406 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.144 15.290 -9.540 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.182 13.021 -8.098 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.862 13.336 -8.487 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.638 11.249 -12.381 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.246 10.765 -12.602 1.00 15.58 C ATOM 2238 C ALA B 55 -15.264 11.926 -12.445 1.00 16.41 C ATOM 2239 O ALA B 55 -15.612 13.075 -12.633 1.00 13.65 O ATOM 2240 CB ALA B 55 -16.128 10.194 -14.014 1.00 13.98 C ATOM 0 H ALA B 55 -18.334 10.875 -13.026 1.00 17.21 H new ATOM 0 HA ALA B 55 -16.013 9.992 -11.870 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -15.111 9.839 -14.179 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.825 9.364 -14.130 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.364 10.971 -14.741 1.00 13.98 H new ATOM 2246 N TYR B 56 -14.037 11.636 -12.106 1.00 15.93 N ATOM 2247 CA TYR B 56 -13.035 12.724 -11.944 1.00 14.61 C ATOM 2248 C TYR B 56 -13.165 13.692 -13.121 1.00 15.51 C ATOM 2249 O TYR B 56 -12.773 13.392 -14.228 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.628 12.119 -11.915 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.393 11.418 -10.585 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.473 11.136 -9.734 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.097 11.055 -10.212 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -12.251 10.491 -8.513 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -9.877 10.412 -8.993 1.00 7.90 C ATOM 2256 CZ TYR B 56 -10.953 10.129 -8.142 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.731 9.493 -6.938 1.00 12.03 O ATOM 0 H TYR B 56 -13.687 10.693 -11.935 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.209 13.260 -11.011 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.510 11.411 -12.735 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.883 12.901 -12.060 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.475 11.417 -10.022 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -9.266 11.272 -10.866 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -13.081 10.273 -7.858 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -8.874 10.132 -8.705 1.00 7.90 H new ATOM 0 HH TYR B 56 -9.846 9.073 -6.948 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.726 14.849 -12.892 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.889 15.829 -14.003 1.00 14.95 C ATOM 2269 C ALA B 57 -12.510 16.236 -14.530 1.00 15.46 C ATOM 2270 O ALA B 57 -11.500 15.823 -13.997 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.626 17.067 -13.486 1.00 14.98 C ATOM 0 H ALA B 57 -14.078 15.157 -11.985 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.465 15.374 -14.809 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.746 17.785 -14.298 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.607 16.776 -13.111 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -14.050 17.523 -12.681 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.512 17.038 -15.564 1.00 15.20 N ATOM 2278 CA PRO B 58 -11.271 17.525 -16.192 1.00 16.55 C ATOM 2279 C PRO B 58 -10.659 18.646 -15.350 1.00 16.75 C ATOM 2280 O PRO B 58 -11.322 19.601 -14.996 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.738 18.051 -17.552 1.00 15.65 C ATOM 2282 CG PRO B 58 -13.248 18.355 -17.407 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.749 17.534 -16.203 1.00 13.96 C ATOM 0 HA PRO B 58 -10.502 16.758 -16.283 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -11.186 18.948 -17.832 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.564 17.313 -18.335 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -13.415 19.420 -17.246 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.787 18.081 -18.314 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -14.333 18.148 -15.517 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.391 16.712 -16.520 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.401 18.539 -15.022 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.761 19.601 -14.200 1.00 15.08 C ATOM 2293 C GLY B 59 -7.561 19.024 -13.447 1.00 14.96 C ATOM 2294 O GLY B 59 -7.557 17.875 -13.068 1.00 13.79 O ATOM 0 H GLY B 59 -8.792 17.765 -15.287 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.439 20.423 -14.839 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.483 20.010 -13.493 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.546 19.814 -13.215 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.362 19.297 -12.468 1.00 14.53 C ATOM 2300 C LEU B 60 -5.857 18.557 -11.225 1.00 14.15 C ATOM 2301 O LEU B 60 -6.853 18.931 -10.637 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.479 20.472 -12.041 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.010 20.131 -12.290 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.167 21.404 -12.193 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.536 19.122 -11.239 1.00 15.01 C ATOM 0 H LEU B 60 -6.485 20.789 -13.508 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.784 18.623 -13.101 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.754 21.367 -12.599 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.637 20.693 -10.985 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.900 19.699 -13.285 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.119 21.161 -12.371 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.505 22.122 -12.940 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.275 21.837 -11.199 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.488 18.878 -11.415 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.645 19.554 -10.244 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -3.137 18.215 -11.308 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.192 17.510 -10.810 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.674 16.784 -9.607 1.00 9.57 C ATOM 2319 C TYR B 61 -4.591 16.663 -8.556 1.00 11.76 C ATOM 2320 O TYR B 61 -3.411 16.793 -8.815 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.163 15.389 -9.984 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.614 15.503 -10.363 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.965 15.798 -11.680 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.601 15.351 -9.385 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.309 15.940 -12.025 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.947 15.497 -9.727 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.298 15.791 -11.049 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.626 15.938 -11.397 1.00 14.61 O ATOM 0 H TYR B 61 -4.350 17.134 -11.246 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.498 17.363 -9.191 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.580 14.990 -10.815 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.038 14.701 -9.148 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.198 15.916 -12.431 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.323 15.121 -8.367 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.585 16.165 -13.045 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.713 15.384 -8.975 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.688 16.342 -12.288 1.00 14.61 H new ATOM 2338 N THR B 62 -5.016 16.385 -7.369 1.00 12.22 N ATOM 2339 CA THR B 62 -4.089 16.207 -6.242 1.00 14.26 C ATOM 2340 C THR B 62 -4.685 15.127 -5.363 1.00 15.40 C ATOM 2341 O THR B 62 -5.806 15.236 -4.907 1.00 16.24 O ATOM 2342 CB THR B 62 -3.966 17.504 -5.457 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.203 17.790 -4.818 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.605 18.636 -6.414 1.00 11.61 C ATOM 0 H THR B 62 -6.000 16.271 -7.128 1.00 12.22 H new ATOM 0 HA THR B 62 -3.093 15.932 -6.590 1.00 14.26 H new ATOM 0 HB THR B 62 -3.187 17.405 -4.701 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.124 18.625 -4.311 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.515 19.569 -5.857 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.656 18.412 -6.901 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.385 18.737 -7.168 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.975 14.074 -5.141 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.553 12.995 -4.313 1.00 15.17 C ATOM 2354 C VAL B 63 -4.876 13.549 -2.934 1.00 14.24 C ATOM 2355 O VAL B 63 -4.410 14.603 -2.547 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.591 11.819 -4.199 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.382 10.571 -3.817 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.894 11.589 -5.547 1.00 18.64 C ATOM 0 H VAL B 63 -3.031 13.911 -5.490 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.465 12.632 -4.787 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.839 12.031 -3.439 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.704 9.722 -3.732 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.880 10.734 -2.861 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.128 10.364 -4.584 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.207 10.747 -5.462 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.641 11.372 -6.311 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.339 12.484 -5.827 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.682 12.854 -2.197 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.057 13.338 -0.845 1.00 10.78 C ATOM 2370 C HIS B 64 -5.791 12.228 0.174 1.00 14.19 C ATOM 2371 O HIS B 64 -6.231 11.103 0.006 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.543 13.705 -0.835 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.805 14.741 0.226 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.168 14.717 1.456 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.650 15.824 0.264 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.636 15.746 2.179 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.542 16.457 1.500 1.00 20.65 N ATOM 0 H HIS B 64 -6.101 11.966 -2.472 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.467 14.218 -0.587 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.839 14.088 -1.812 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.145 12.816 -0.645 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.298 16.136 -0.541 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.319 15.972 3.186 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.046 17.285 1.819 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.074 12.532 1.228 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.777 11.495 2.254 1.00 14.44 C ATOM 2387 C LEU B 65 -6.043 11.163 3.048 1.00 12.66 C ATOM 2388 O LEU B 65 -6.023 10.332 3.934 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.679 11.998 3.198 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.265 12.958 4.217 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.070 12.385 5.623 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.563 14.308 4.111 1.00 19.03 C ATOM 0 H LEU B 65 -4.683 13.455 1.419 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.430 10.590 1.755 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.213 11.155 3.708 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.897 12.496 2.625 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.329 13.091 4.023 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.490 13.072 6.357 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.575 11.422 5.697 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.006 12.252 5.817 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.985 14.996 4.843 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.498 14.180 4.305 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.704 14.714 3.109 1.00 19.03 H new ATOM 2404 N SER B 66 -7.153 11.779 2.731 1.00 13.51 N ATOM 2405 CA SER B 66 -8.398 11.452 3.468 1.00 10.39 C ATOM 2406 C SER B 66 -8.588 9.939 3.388 1.00 8.56 C ATOM 2407 O SER B 66 -9.287 9.337 4.179 1.00 11.70 O ATOM 2408 CB SER B 66 -9.585 12.166 2.813 1.00 12.88 C ATOM 2409 OG SER B 66 -10.623 11.228 2.554 1.00 14.72 O ATOM 0 H SER B 66 -7.246 12.486 2.001 1.00 13.51 H new ATOM 0 HA SER B 66 -8.334 11.776 4.507 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.951 12.958 3.466 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.269 12.640 1.884 1.00 12.88 H new ATOM 0 HG SER B 66 -11.382 11.687 2.137 1.00 14.72 H new ATOM 2415 N SER B 67 -7.960 9.329 2.418 1.00 7.98 N ATOM 2416 CA SER B 67 -8.074 7.859 2.241 1.00 8.20 C ATOM 2417 C SER B 67 -6.902 7.149 2.930 1.00 11.02 C ATOM 2418 O SER B 67 -6.880 5.938 3.033 1.00 11.45 O ATOM 2419 CB SER B 67 -8.051 7.534 0.748 1.00 8.01 C ATOM 2420 OG SER B 67 -8.924 8.421 0.061 1.00 11.22 O ATOM 0 H SER B 67 -7.366 9.797 1.734 1.00 7.98 H new ATOM 0 HA SER B 67 -9.008 7.516 2.687 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.037 7.629 0.359 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.360 6.502 0.584 1.00 8.01 H new ATOM 0 HG SER B 67 -9.506 7.908 -0.539 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.920 7.881 3.389 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.755 7.224 4.050 1.00 11.79 C ATOM 2428 C PHE B 68 -5.090 6.966 5.519 1.00 12.69 C ATOM 2429 O PHE B 68 -5.932 7.621 6.100 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.513 8.128 3.970 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.304 8.639 2.560 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.095 8.174 1.496 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.338 9.626 2.329 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.913 8.697 0.213 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.163 10.149 1.047 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.950 9.686 -0.010 1.00 11.87 C ATOM 0 H PHE B 68 -5.875 8.899 3.335 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.544 6.284 3.540 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.627 8.970 4.653 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.633 7.572 4.294 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.842 7.414 1.669 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.727 9.983 3.145 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.517 8.337 -0.607 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.419 10.912 0.872 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.814 10.093 -1.001 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.431 6.020 6.122 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.701 5.717 7.556 1.00 15.38 C ATOM 2448 C LYS B 69 -3.607 4.797 8.096 1.00 15.02 C ATOM 2449 O LYS B 69 -2.749 4.340 7.368 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.060 5.027 7.692 1.00 16.04 C ATOM 2451 CG LYS B 69 -6.188 3.929 6.633 1.00 20.35 C ATOM 2452 CD LYS B 69 -7.289 2.950 7.044 1.00 21.35 C ATOM 2453 CE LYS B 69 -6.894 1.532 6.625 1.00 30.24 C ATOM 2454 NZ LYS B 69 -6.587 0.722 7.838 1.00 32.70 N ATOM 0 H LYS B 69 -3.715 5.441 5.684 1.00 12.51 H new ATOM 0 HA LYS B 69 -4.711 6.647 8.125 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.163 4.598 8.689 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.862 5.755 7.574 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.421 4.369 5.664 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.240 3.402 6.524 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.444 2.992 8.122 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.232 3.230 6.575 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -7.704 1.069 6.061 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -6.026 1.564 5.967 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -6.319 -0.242 7.553 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -5.801 1.161 8.359 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -7.427 0.681 8.450 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.631 4.523 9.370 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.592 3.632 9.961 1.00 13.49 C ATOM 2470 C VAL B 70 -3.190 2.243 10.192 1.00 11.85 C ATOM 2471 O VAL B 70 -4.028 2.052 11.051 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.099 4.201 11.295 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.576 4.079 11.368 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.499 5.677 11.424 1.00 15.63 C ATOM 0 H VAL B 70 -4.325 4.877 10.028 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.749 3.565 9.273 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.554 3.638 12.110 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.224 4.484 12.317 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.291 3.030 11.293 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.127 4.637 10.546 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.142 6.069 12.377 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.055 6.247 10.608 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.585 5.765 11.379 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.770 1.271 9.429 1.00 11.15 N ATOM 2485 CA GLY B 71 -3.318 -0.107 9.600 1.00 11.07 C ATOM 2486 C GLY B 71 -2.680 -0.781 10.819 1.00 12.15 C ATOM 2487 O GLY B 71 -2.199 -1.894 10.738 1.00 12.70 O ATOM 0 H GLY B 71 -2.070 1.371 8.694 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -4.400 -0.063 9.724 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -3.123 -0.698 8.705 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.679 -0.120 11.948 1.00 15.78 N ATOM 2492 CA GLN B 72 -2.080 -0.723 13.176 1.00 19.42 C ATOM 2493 C GLN B 72 -0.789 -1.465 12.820 1.00 16.97 C ATOM 2494 O GLN B 72 -0.591 -2.602 13.199 1.00 20.46 O ATOM 2495 CB GLN B 72 -3.076 -1.703 13.799 1.00 22.64 C ATOM 2496 CG GLN B 72 -3.126 -1.486 15.312 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.928 -2.174 15.967 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -2.081 -3.168 16.649 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.732 -1.684 15.788 1.00 25.15 N ATOM 0 H GLN B 72 -3.069 0.814 12.072 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.850 0.070 13.888 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -4.066 -1.556 13.367 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.781 -2.729 13.577 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.114 -0.420 15.537 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -4.055 -1.887 15.717 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.603 -0.850 15.216 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.074 -2.135 16.220 1.00 25.15 H new ATOM 2508 N PHE B 73 0.090 -0.829 12.098 1.00 14.56 N ATOM 2509 CA PHE B 73 1.368 -1.494 11.720 1.00 14.60 C ATOM 2510 C PHE B 73 2.496 -0.464 11.730 1.00 15.63 C ATOM 2511 O PHE B 73 3.443 -0.555 10.975 1.00 17.80 O ATOM 2512 CB PHE B 73 1.236 -2.090 10.319 1.00 12.63 C ATOM 2513 CG PHE B 73 1.001 -3.574 10.430 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.049 -4.422 10.805 1.00 19.79 C ATOM 2515 CD2 PHE B 73 -0.265 -4.104 10.155 1.00 16.27 C ATOM 2516 CE1 PHE B 73 1.832 -5.801 10.906 1.00 18.68 C ATOM 2517 CE2 PHE B 73 -0.483 -5.484 10.256 1.00 20.44 C ATOM 2518 CZ PHE B 73 0.566 -6.332 10.631 1.00 17.88 C ATOM 0 H PHE B 73 -0.021 0.124 11.753 1.00 14.56 H new ATOM 0 HA PHE B 73 1.592 -2.288 12.433 1.00 14.60 H new ATOM 0 HB2 PHE B 73 0.410 -1.618 9.787 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.140 -1.895 9.742 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.026 -4.012 11.017 1.00 19.79 H new ATOM 0 HD2 PHE B 73 -1.073 -3.449 9.865 1.00 16.27 H new ATOM 0 HE1 PHE B 73 2.641 -6.455 11.196 1.00 18.68 H new ATOM 0 HE2 PHE B 73 -1.460 -5.894 10.045 1.00 20.44 H new ATOM 0 HZ PHE B 73 0.399 -7.396 10.708 1.00 17.88 H new ATOM 2528 N GLY B 74 2.400 0.516 12.582 1.00 13.82 N ATOM 2529 CA GLY B 74 3.463 1.556 12.645 1.00 13.44 C ATOM 2530 C GLY B 74 3.845 1.987 11.227 1.00 10.42 C ATOM 2531 O GLY B 74 5.008 2.114 10.901 1.00 13.62 O ATOM 0 H GLY B 74 1.630 0.642 13.239 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.111 2.416 13.215 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.338 1.165 13.165 1.00 13.44 H new ATOM 2535 N SER B 75 2.877 2.212 10.379 1.00 12.64 N ATOM 2536 CA SER B 75 3.197 2.632 8.986 1.00 12.47 C ATOM 2537 C SER B 75 1.933 3.155 8.298 1.00 12.47 C ATOM 2538 O SER B 75 0.995 2.420 8.060 1.00 11.32 O ATOM 2539 CB SER B 75 3.737 1.433 8.206 1.00 11.21 C ATOM 2540 OG SER B 75 4.885 0.919 8.869 1.00 18.27 O ATOM 0 H SER B 75 1.883 2.123 10.590 1.00 12.64 H new ATOM 0 HA SER B 75 3.947 3.423 9.013 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.972 0.661 8.128 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.993 1.731 7.189 1.00 11.21 H new ATOM 0 HG SER B 75 5.317 1.636 9.378 1.00 18.27 H new ATOM 2546 N LEU B 76 1.904 4.418 7.970 1.00 12.43 N ATOM 2547 CA LEU B 76 0.704 4.985 7.290 1.00 12.18 C ATOM 2548 C LEU B 76 0.602 4.393 5.883 1.00 12.07 C ATOM 2549 O LEU B 76 1.585 3.969 5.310 1.00 9.82 O ATOM 2550 CB LEU B 76 0.841 6.505 7.197 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.541 7.149 7.314 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.661 7.861 8.663 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.726 8.163 6.182 1.00 7.80 C ATOM 0 H LEU B 76 2.659 5.082 8.143 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.193 4.739 7.858 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.493 6.871 7.990 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.304 6.782 6.250 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.309 6.379 7.242 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.646 8.320 8.746 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.528 7.139 9.469 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.106 8.632 8.737 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.711 8.623 6.263 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.042 8.933 6.254 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.641 7.655 5.221 1.00 7.80 H new ATOM 2565 N MET B 77 -0.577 4.358 5.320 1.00 14.08 N ATOM 2566 CA MET B 77 -0.733 3.787 3.951 1.00 14.12 C ATOM 2567 C MET B 77 -2.067 4.239 3.353 1.00 11.37 C ATOM 2568 O MET B 77 -2.992 4.587 4.060 1.00 11.44 O ATOM 2569 CB MET B 77 -0.717 2.258 4.028 1.00 16.48 C ATOM 2570 CG MET B 77 0.691 1.771 4.375 1.00 24.75 C ATOM 2571 SD MET B 77 0.902 0.070 3.794 1.00 35.11 S ATOM 2572 CE MET B 77 2.129 0.420 2.512 1.00 33.86 C ATOM 0 H MET B 77 -1.437 4.700 5.749 1.00 14.08 H new ATOM 0 HA MET B 77 0.088 4.135 3.324 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.426 1.915 4.782 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.034 1.833 3.075 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.436 2.419 3.913 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.849 1.821 5.452 1.00 24.75 H new ATOM 0 HE1 MET B 77 2.409 -0.508 2.013 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.706 1.111 1.783 1.00 33.86 H new ATOM 0 HE3 MET B 77 3.012 0.868 2.967 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.170 4.231 2.053 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.440 4.652 1.398 1.00 11.62 C ATOM 2584 C ILE B 78 -4.446 3.498 1.421 1.00 11.45 C ATOM 2585 O ILE B 78 -4.120 2.370 1.107 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.170 5.007 -0.058 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.127 6.123 -0.143 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.473 5.460 -0.718 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.965 5.666 -1.026 1.00 13.67 C ATOM 0 H ILE B 78 -1.426 3.950 1.414 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.839 5.512 1.935 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.785 4.129 -0.577 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.577 7.026 -0.554 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.764 6.373 0.854 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.283 5.715 -1.761 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.205 4.654 -0.669 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.861 6.334 -0.195 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.221 6.460 -1.088 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.509 4.774 -0.595 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.335 5.437 -2.025 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.671 3.778 1.756 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.712 2.707 1.762 1.00 14.79 C ATOM 2603 C ASP B 79 -7.579 2.870 0.510 1.00 15.20 C ATOM 2604 O ASP B 79 -8.236 1.953 0.060 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.582 2.836 3.015 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.469 1.598 3.150 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.730 0.966 2.140 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.871 1.301 4.263 1.00 21.87 O ATOM 0 H ASP B 79 -6.001 4.704 2.027 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.239 1.725 1.765 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -6.952 2.943 3.898 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.198 3.733 2.952 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.562 4.045 -0.051 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.347 4.338 -1.280 1.00 17.14 C ATOM 2615 C ARG B 80 -8.164 5.819 -1.582 1.00 14.98 C ATOM 2616 O ARG B 80 -9.058 6.624 -1.417 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.827 4.019 -1.054 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.484 3.662 -2.389 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.376 4.817 -2.848 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.719 4.688 -2.212 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.555 5.692 -2.233 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.224 6.810 -2.819 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.727 5.575 -1.669 1.00 35.04 N ATOM 0 H ARG B 80 -7.022 4.835 0.301 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.004 3.727 -2.115 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.928 3.190 -0.354 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.330 4.876 -0.607 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.720 3.459 -3.139 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -11.075 2.753 -2.283 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.923 5.771 -2.577 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.473 4.807 -3.934 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.986 3.814 -1.759 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.310 6.902 -3.263 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.879 7.592 -2.833 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.989 4.701 -1.213 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.381 6.358 -1.684 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.977 6.165 -1.984 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.629 7.581 -2.270 1.00 11.27 C ATOM 2639 C LEU B 81 -7.831 8.361 -2.811 1.00 15.61 C ATOM 2640 O LEU B 81 -8.386 8.042 -3.843 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.459 7.612 -3.259 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.970 7.698 -4.693 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.775 7.805 -5.644 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.769 6.430 -5.015 1.00 18.72 C ATOM 0 H LEU B 81 -6.212 5.506 -2.130 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.335 8.069 -1.341 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.817 8.466 -3.044 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.849 6.717 -3.138 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.609 8.573 -4.810 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.132 7.867 -6.672 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.199 8.699 -5.406 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.141 6.925 -5.533 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.138 6.483 -6.039 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.125 5.557 -4.906 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.612 6.347 -4.329 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.222 9.397 -2.119 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.370 10.220 -2.589 1.00 12.72 C ATOM 2658 C ARG B 82 -8.821 11.362 -3.446 1.00 13.33 C ATOM 2659 O ARG B 82 -8.332 12.353 -2.940 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.122 10.791 -1.386 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.211 11.749 -1.872 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.569 11.293 -1.340 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.532 11.156 -2.478 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.672 12.107 -3.366 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.125 13.280 -3.182 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.415 11.901 -4.419 1.00 16.89 N ATOM 0 H ARG B 82 -7.794 9.708 -1.247 1.00 13.37 H new ATOM 0 HA ARG B 82 -10.058 9.609 -3.173 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.567 9.983 -0.805 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.430 11.315 -0.726 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -10.997 12.762 -1.531 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.226 11.776 -2.962 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.466 10.340 -0.820 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.947 12.013 -0.614 1.00 16.62 H new ATOM 0 HE ARG B 82 -14.089 10.306 -2.563 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.581 13.463 -2.338 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -13.242 14.013 -3.882 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.882 11.003 -4.546 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.529 12.638 -5.115 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.870 11.215 -4.740 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.325 12.271 -5.634 1.00 13.86 C ATOM 2682 C LEU B 83 -9.157 13.545 -5.550 1.00 13.02 C ATOM 2683 O LEU B 83 -10.314 13.536 -5.178 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.335 11.780 -7.078 1.00 9.93 C ATOM 2685 CG LEU B 83 -7.178 12.419 -7.838 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.929 11.546 -7.705 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -7.555 12.552 -9.317 1.00 10.58 C ATOM 0 H LEU B 83 -9.266 10.405 -5.218 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.307 12.488 -5.312 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.247 10.694 -7.105 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -9.282 12.035 -7.554 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.972 13.406 -7.423 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.104 12.006 -8.249 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.661 11.452 -6.653 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -6.130 10.558 -8.118 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.730 13.009 -9.863 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -7.761 11.565 -9.730 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.443 13.177 -9.411 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.557 14.642 -5.907 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.255 15.941 -5.881 1.00 12.86 C ATOM 2701 C VAL B 84 -8.543 16.876 -6.863 1.00 14.98 C ATOM 2702 O VAL B 84 -7.349 16.776 -7.042 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.175 16.509 -4.463 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.771 15.504 -3.475 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.712 16.778 -4.093 1.00 17.34 C ATOM 0 H VAL B 84 -7.588 14.687 -6.223 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.302 15.834 -6.165 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.736 17.442 -4.419 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.714 15.909 -2.465 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.813 15.316 -3.732 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.211 14.570 -3.524 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.661 17.182 -3.082 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.148 15.847 -4.140 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.286 17.496 -4.793 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.281 17.764 -7.468 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.709 18.726 -8.423 1.00 22.41 C ATOM 2717 C PRO B 85 -7.706 19.643 -7.704 1.00 25.70 C ATOM 2718 O PRO B 85 -7.955 20.115 -6.612 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.928 19.475 -8.965 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.049 19.251 -7.937 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.727 17.913 -7.251 1.00 20.63 C ATOM 0 HA PRO B 85 -8.142 18.267 -9.233 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.713 20.537 -9.084 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.215 19.096 -9.946 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.083 20.064 -7.212 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.024 19.217 -8.423 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.975 17.935 -6.190 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.287 17.089 -7.692 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.563 19.871 -8.299 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.525 20.724 -7.647 1.00 39.94 C ATOM 2731 C ALA B 86 -6.071 22.139 -7.444 1.00 46.96 C ATOM 2732 O ALA B 86 -6.406 22.827 -8.387 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.280 20.772 -8.538 1.00 39.70 C ATOM 0 H ALA B 86 -6.303 19.501 -9.213 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.263 20.302 -6.677 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.519 21.394 -8.066 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.891 19.763 -8.674 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.543 21.194 -9.508 1.00 39.70 H new ATOM 2739 N LYS B 87 -6.162 22.577 -6.218 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.685 23.946 -5.952 1.00 55.12 C ATOM 2741 C LYS B 87 -8.087 24.082 -6.551 1.00 55.82 C ATOM 2742 O LYS B 87 -8.493 23.182 -7.267 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.756 24.982 -6.590 1.00 52.96 C ATOM 2744 CG LYS B 87 -5.266 25.957 -5.517 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.022 25.384 -4.836 1.00 56.64 C ATOM 2746 CE LYS B 87 -3.084 26.527 -4.439 1.00 58.91 C ATOM 2747 NZ LYS B 87 -2.399 27.052 -5.654 1.00 58.16 N ATOM 2748 OXT LYS B 87 -8.729 25.084 -6.283 1.00 57.66 O ATOM 0 H LYS B 87 -5.896 22.045 -5.389 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.731 24.113 -4.876 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.907 24.485 -7.060 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.283 25.524 -7.376 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -5.035 26.923 -5.966 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -6.051 26.128 -4.780 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -4.309 24.812 -3.954 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.510 24.697 -5.509 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -3.649 27.323 -3.954 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -2.348 26.173 -3.717 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -1.524 27.540 -5.376 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -2.168 26.263 -6.291 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -3.027 27.720 -6.145 1.00 58.16 H new