USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl -123:sc= -0.823 (180deg=-1.42) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.137 (180deg=-0.454) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -106:sc= -2.37! (180deg=-6.35!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.98! C(o=-3!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.00042) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 58:sc= 0.0549 USER MOD Single : A 29 ASN : amide:sc= -8.27! C(o=-8.3!,f=-8.6!) USER MOD Single : A 31 GLN : amide:sc= -9.73! C(o=-9.7!,f=-15!) USER MOD Single : A 33 CYS SG : rot 140:sc= -3.58! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -9.13! C(o=-9.1!,f=-17!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.19) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.336 K(o=-0.34,f=-3!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 61 TYR OH : rot 25:sc= 0.562 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 64 HIS : no HD1:sc= -0.745 K(o=-0.75,f=-3.9!) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 67 SER OG : rot 160:sc= -3.26! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.03! C(o=-1!,f=-0.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -154:sc= -0.681 (180deg=-2.19!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -122:sc= -0.815 (180deg=-1.39) USER MOD Single : B 1 MET N :NH3+ -115:sc= 0.109 (180deg=-0.408) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -108:sc= -2.44! (180deg=-6.29!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -2.97! C(o=-3!,f=-11!) USER MOD Single : B 12 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0584 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 57:sc= 0.0276 USER MOD Single : B 29 ASN : amide:sc= -8.36! C(o=-8.4!,f=-8.8!) USER MOD Single : B 31 GLN : amide:sc= -9.45! C(o=-9.5!,f=-15!) USER MOD Single : B 33 CYS SG : rot 140:sc= -3.49! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -9.1! C(o=-9.1!,f=-17!) USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : B 46 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.27) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.245 K(o=-0.25,f=-3.1!) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.166 USER MOD Single : B 61 TYR OH : rot 22:sc= 0.533 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.684 USER MOD Single : B 64 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-3.9!) USER MOD Single : B 66 SER OG : rot 170:sc= 0 USER MOD Single : B 67 SER OG : rot 162:sc= -2.69! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -1.29! X(o=-1.3!,f=-0.92) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -152:sc= -0.525 (180deg=-2.2!) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.825 18.876 4.349 1.00 42.32 N ATOM 2 CA MET A 1 -1.951 17.787 3.826 1.00 40.89 C ATOM 3 C MET A 1 -1.792 16.706 4.895 1.00 34.75 C ATOM 4 O MET A 1 -2.210 16.871 6.024 1.00 33.97 O ATOM 5 CB MET A 1 -0.572 18.361 3.474 1.00 48.45 C ATOM 6 CG MET A 1 0.219 18.646 4.758 1.00 56.13 C ATOM 7 SD MET A 1 0.846 20.344 4.713 1.00 64.91 S ATOM 8 CE MET A 1 -0.349 21.059 5.868 1.00 63.43 C ATOM 0 H1 MET A 1 -3.681 18.947 3.762 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.095 18.663 5.331 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.310 19.779 4.320 1.00 42.32 H new ATOM 0 HA MET A 1 -2.404 17.355 2.934 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.024 17.657 2.848 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.687 19.278 2.896 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.419 18.505 5.630 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.047 17.943 4.852 1.00 56.13 H new ATOM 0 HE1 MET A 1 -0.876 21.881 5.384 1.00 63.43 H new ATOM 0 HE2 MET A 1 -1.066 20.295 6.168 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.174 21.432 6.749 1.00 63.43 H new ATOM 20 N ILE A 2 -1.174 15.609 4.555 1.00 28.59 N ATOM 21 CA ILE A 2 -0.972 14.533 5.564 1.00 24.58 C ATOM 22 C ILE A 2 -0.109 15.106 6.685 1.00 19.29 C ATOM 23 O ILE A 2 1.097 14.959 6.697 1.00 19.53 O ATOM 24 CB ILE A 2 -0.268 13.342 4.911 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.930 13.024 3.573 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.378 12.119 5.816 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.153 12.742 2.538 1.00 33.80 C ATOM 0 H ILE A 2 -0.802 15.412 3.626 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.927 14.190 5.961 1.00 24.58 H new ATOM 0 HB ILE A 2 0.781 13.594 4.755 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.588 12.161 3.674 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.550 13.861 3.251 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.125 11.273 5.347 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.091 12.333 6.776 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.429 11.875 5.972 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.311 12.514 1.579 1.00 33.80 H new ATOM 0 HD12 ILE A 2 0.792 13.618 2.432 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.753 11.892 2.862 1.00 33.80 H new ATOM 39 N LYS A 3 -0.722 15.794 7.606 1.00 18.14 N ATOM 40 CA LYS A 3 0.049 16.426 8.711 1.00 16.66 C ATOM 41 C LYS A 3 0.480 15.389 9.743 1.00 14.94 C ATOM 42 O LYS A 3 -0.095 14.326 9.865 1.00 13.94 O ATOM 43 CB LYS A 3 -0.817 17.488 9.391 1.00 16.94 C ATOM 44 CG LYS A 3 -0.852 18.750 8.526 1.00 17.85 C ATOM 45 CD LYS A 3 -2.175 19.485 8.748 1.00 19.63 C ATOM 46 CE LYS A 3 -1.918 20.778 9.523 1.00 26.28 C ATOM 47 NZ LYS A 3 -3.091 21.686 9.378 1.00 32.72 N ATOM 0 H LYS A 3 -1.730 15.947 7.641 1.00 18.14 H new ATOM 0 HA LYS A 3 0.943 16.884 8.288 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.828 17.108 9.539 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.417 17.722 10.378 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.015 19.401 8.780 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.743 18.486 7.474 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.643 19.710 7.790 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.868 18.850 9.300 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.745 20.555 10.576 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.018 21.266 9.149 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.916 22.565 9.905 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.236 21.908 8.372 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -3.940 21.219 9.755 1.00 32.72 H new ATOM 61 N VAL A 4 1.498 15.712 10.490 1.00 12.42 N ATOM 62 CA VAL A 4 2.004 14.783 11.531 1.00 12.99 C ATOM 63 C VAL A 4 2.913 15.574 12.482 1.00 14.26 C ATOM 64 O VAL A 4 3.264 16.705 12.221 1.00 13.80 O ATOM 65 CB VAL A 4 2.772 13.617 10.859 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.286 14.044 9.484 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.958 13.171 11.729 1.00 10.41 C ATOM 0 H VAL A 4 2.006 16.594 10.420 1.00 12.42 H new ATOM 0 HA VAL A 4 1.179 14.354 12.100 1.00 12.99 H new ATOM 0 HB VAL A 4 2.082 12.781 10.746 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.824 13.215 9.023 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.444 14.326 8.852 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.958 14.895 9.595 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.482 12.352 11.237 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.642 14.008 11.868 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.592 12.837 12.700 1.00 10.41 H new ATOM 77 N GLU A 5 3.282 14.991 13.587 1.00 9.27 N ATOM 78 CA GLU A 5 4.156 15.706 14.559 1.00 10.51 C ATOM 79 C GLU A 5 5.106 14.715 15.210 1.00 10.00 C ATOM 80 O GLU A 5 4.705 13.855 15.966 1.00 10.96 O ATOM 81 CB GLU A 5 3.290 16.361 15.634 1.00 10.42 C ATOM 82 CG GLU A 5 2.789 17.708 15.119 1.00 18.68 C ATOM 83 CD GLU A 5 1.881 18.354 16.167 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.980 17.974 17.323 1.00 19.38 O ATOM 85 OE2 GLU A 5 1.103 19.217 15.797 1.00 22.12 O ATOM 0 H GLU A 5 3.015 14.045 13.861 1.00 9.27 H new ATOM 0 HA GLU A 5 4.731 16.471 14.037 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.447 15.716 15.882 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.866 16.499 16.549 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.633 18.362 14.902 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.243 17.571 14.185 1.00 18.68 H new ATOM 92 N ILE A 6 6.368 14.831 14.934 1.00 9.86 N ATOM 93 CA ILE A 6 7.332 13.891 15.565 1.00 10.60 C ATOM 94 C ILE A 6 7.464 14.277 17.047 1.00 10.16 C ATOM 95 O ILE A 6 8.125 15.235 17.394 1.00 11.64 O ATOM 96 CB ILE A 6 8.689 13.954 14.828 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.721 12.863 13.754 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.845 13.717 15.797 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.493 13.483 12.376 1.00 13.81 C ATOM 0 H ILE A 6 6.774 15.526 14.307 1.00 9.86 H new ATOM 0 HA ILE A 6 6.980 12.862 15.495 1.00 10.60 H new ATOM 0 HB ILE A 6 8.798 14.942 14.382 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.681 12.347 13.776 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.953 12.117 13.958 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.790 13.766 15.255 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.832 14.482 16.573 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.740 12.733 16.255 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.517 12.701 11.617 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.522 13.978 12.356 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.277 14.212 12.171 1.00 13.81 H new ATOM 111 N LYS A 7 6.816 13.543 17.921 1.00 11.63 N ATOM 112 CA LYS A 7 6.876 13.867 19.372 1.00 11.59 C ATOM 113 C LYS A 7 8.322 14.154 19.781 1.00 12.98 C ATOM 114 O LYS A 7 9.236 13.941 19.010 1.00 9.79 O ATOM 115 CB LYS A 7 6.338 12.673 20.165 1.00 12.52 C ATOM 116 CG LYS A 7 4.905 12.956 20.634 1.00 14.26 C ATOM 117 CD LYS A 7 4.099 13.615 19.511 1.00 15.70 C ATOM 118 CE LYS A 7 3.795 15.063 19.882 1.00 19.19 C ATOM 119 NZ LYS A 7 4.553 15.979 18.983 1.00 25.43 N ATOM 0 H LYS A 7 6.247 12.730 17.685 1.00 11.63 H new ATOM 0 HA LYS A 7 6.272 14.751 19.579 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.356 11.777 19.545 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.979 12.479 21.025 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.424 12.026 20.939 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.923 13.607 21.508 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.660 13.578 18.577 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.170 13.068 19.347 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.725 15.254 19.795 1.00 19.19 H new ATOM 0 HE3 LYS A 7 4.068 15.248 20.921 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 5.346 16.402 19.507 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.921 15.443 18.171 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.922 16.732 18.643 1.00 25.43 H new ATOM 133 N PRO A 8 8.485 14.626 20.992 1.00 13.56 N ATOM 134 CA PRO A 8 9.812 14.947 21.540 1.00 11.93 C ATOM 135 C PRO A 8 10.544 13.657 21.896 1.00 10.20 C ATOM 136 O PRO A 8 11.757 13.590 21.885 1.00 12.05 O ATOM 137 CB PRO A 8 9.501 15.784 22.784 1.00 12.78 C ATOM 138 CG PRO A 8 8.050 15.435 23.189 1.00 12.51 C ATOM 139 CD PRO A 8 7.367 14.874 21.927 1.00 13.61 C ATOM 0 HA PRO A 8 10.458 15.482 20.844 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.196 15.554 23.591 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.600 16.848 22.571 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.038 14.702 23.995 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.526 16.318 23.554 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.819 13.958 22.145 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.651 15.583 21.513 1.00 13.61 H new ATOM 147 N SER A 9 9.808 12.628 22.193 1.00 10.65 N ATOM 148 CA SER A 9 10.444 11.327 22.530 1.00 10.83 C ATOM 149 C SER A 9 10.668 10.533 21.240 1.00 10.94 C ATOM 150 O SER A 9 11.178 9.430 21.258 1.00 13.16 O ATOM 151 CB SER A 9 9.531 10.536 23.469 1.00 13.01 C ATOM 152 OG SER A 9 8.655 9.724 22.698 1.00 15.52 O ATOM 0 H SER A 9 8.788 12.631 22.217 1.00 10.65 H new ATOM 0 HA SER A 9 11.399 11.502 23.025 1.00 10.83 H new ATOM 0 HB2 SER A 9 10.128 9.915 24.137 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.956 11.218 24.096 1.00 13.01 H new ATOM 0 HG SER A 9 8.070 9.214 23.296 1.00 15.52 H new ATOM 158 N GLN A 10 10.291 11.088 20.117 1.00 10.02 N ATOM 159 CA GLN A 10 10.482 10.370 18.826 1.00 11.55 C ATOM 160 C GLN A 10 11.374 11.205 17.905 1.00 13.72 C ATOM 161 O GLN A 10 11.204 11.209 16.703 1.00 17.31 O ATOM 162 CB GLN A 10 9.128 10.159 18.152 1.00 6.60 C ATOM 163 CG GLN A 10 8.093 9.788 19.207 1.00 7.20 C ATOM 164 CD GLN A 10 8.314 8.342 19.655 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.304 7.731 19.306 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.429 7.765 20.421 1.00 4.80 N ATOM 0 H GLN A 10 9.859 12.009 20.041 1.00 10.02 H new ATOM 0 HA GLN A 10 10.951 9.405 19.018 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.823 11.066 17.630 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.200 9.370 17.404 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.172 10.460 20.061 1.00 7.20 H new ATOM 0 HG3 GLN A 10 7.088 9.904 18.802 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.597 8.277 20.715 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.569 6.802 20.726 1.00 4.80 H new ATOM 175 N ALA A 11 12.317 11.920 18.457 1.00 15.28 N ATOM 176 CA ALA A 11 13.206 12.760 17.604 1.00 18.95 C ATOM 177 C ALA A 11 14.509 12.014 17.315 1.00 20.75 C ATOM 178 O ALA A 11 15.457 12.577 16.805 1.00 24.78 O ATOM 179 CB ALA A 11 13.520 14.069 18.331 1.00 17.72 C ATOM 0 H ALA A 11 12.510 11.959 19.458 1.00 15.28 H new ATOM 0 HA ALA A 11 12.700 12.975 16.663 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.170 14.684 17.709 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.593 14.606 18.529 1.00 17.72 H new ATOM 0 HB3 ALA A 11 14.021 13.850 19.274 1.00 17.72 H new ATOM 185 N GLN A 12 14.566 10.753 17.636 1.00 22.50 N ATOM 186 CA GLN A 12 15.810 9.977 17.378 1.00 25.43 C ATOM 187 C GLN A 12 15.458 8.589 16.848 1.00 22.80 C ATOM 188 O GLN A 12 14.474 7.994 17.240 1.00 20.93 O ATOM 189 CB GLN A 12 16.598 9.836 18.678 1.00 30.18 C ATOM 190 CG GLN A 12 17.470 11.072 18.867 1.00 42.11 C ATOM 191 CD GLN A 12 18.211 10.979 20.201 1.00 46.61 C ATOM 192 OE1 GLN A 12 19.391 11.258 20.275 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.564 10.593 21.267 1.00 47.90 N ATOM 0 H GLN A 12 13.806 10.226 18.066 1.00 22.50 H new ATOM 0 HA GLN A 12 16.412 10.502 16.636 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.916 9.724 19.521 1.00 30.18 H new ATOM 0 HB3 GLN A 12 17.217 8.940 18.647 1.00 30.18 H new ATOM 0 HG2 GLN A 12 18.184 11.154 18.048 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.854 11.971 18.844 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.573 10.359 21.205 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.049 10.526 22.162 1.00 47.90 H new ATOM 202 N PHE A 13 16.259 8.065 15.963 1.00 21.61 N ATOM 203 CA PHE A 13 15.979 6.716 15.412 1.00 20.51 C ATOM 204 C PHE A 13 16.750 5.675 16.218 1.00 18.83 C ATOM 205 O PHE A 13 17.705 5.988 16.901 1.00 18.83 O ATOM 206 CB PHE A 13 16.450 6.661 13.964 1.00 19.56 C ATOM 207 CG PHE A 13 17.911 7.041 13.928 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.891 6.087 14.226 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.285 8.353 13.612 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.243 6.446 14.205 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.634 8.711 13.593 1.00 14.07 C ATOM 212 CZ PHE A 13 20.613 7.760 13.888 1.00 18.48 C ATOM 0 H PHE A 13 17.098 8.517 15.598 1.00 21.61 H new ATOM 0 HA PHE A 13 14.909 6.513 15.466 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.307 5.660 13.556 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.865 7.343 13.348 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.604 5.075 14.472 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.529 9.089 13.383 1.00 15.55 H new ATOM 0 HE1 PHE A 13 21.001 5.711 14.433 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.921 9.724 13.350 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.657 8.037 13.872 1.00 18.48 H new ATOM 222 N THR A 14 16.358 4.439 16.131 1.00 14.89 N ATOM 223 CA THR A 14 17.086 3.381 16.877 1.00 13.37 C ATOM 224 C THR A 14 17.438 2.252 15.912 1.00 11.97 C ATOM 225 O THR A 14 16.884 2.148 14.836 1.00 10.76 O ATOM 226 CB THR A 14 16.207 2.836 18.004 1.00 13.68 C ATOM 227 OG1 THR A 14 16.915 1.825 18.707 1.00 13.48 O ATOM 228 CG2 THR A 14 14.925 2.249 17.415 1.00 9.24 C ATOM 0 H THR A 14 15.566 4.115 15.576 1.00 14.89 H new ATOM 0 HA THR A 14 17.995 3.799 17.310 1.00 13.37 H new ATOM 0 HB THR A 14 15.951 3.644 18.689 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.354 1.476 19.431 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.300 1.861 18.219 1.00 9.24 H new ATOM 0 HG22 THR A 14 14.383 3.026 16.876 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.177 1.440 16.729 1.00 9.24 H new ATOM 236 N THR A 15 18.356 1.409 16.282 1.00 13.20 N ATOM 237 CA THR A 15 18.739 0.294 15.377 1.00 12.54 C ATOM 238 C THR A 15 17.992 -0.975 15.785 1.00 14.34 C ATOM 239 O THR A 15 18.246 -1.551 16.825 1.00 17.35 O ATOM 240 CB THR A 15 20.245 0.052 15.472 1.00 11.88 C ATOM 241 OG1 THR A 15 20.877 1.209 16.002 1.00 17.15 O ATOM 242 CG2 THR A 15 20.798 -0.242 14.080 1.00 8.30 C ATOM 0 H THR A 15 18.857 1.443 17.170 1.00 13.20 H new ATOM 0 HA THR A 15 18.478 0.555 14.351 1.00 12.54 H new ATOM 0 HB THR A 15 20.439 -0.798 16.127 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.843 1.054 16.065 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.872 -0.415 14.144 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.311 -1.129 13.675 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.606 0.608 13.425 1.00 8.30 H new ATOM 250 N ARG A 16 17.076 -1.418 14.972 1.00 15.28 N ATOM 251 CA ARG A 16 16.316 -2.653 15.308 1.00 15.21 C ATOM 252 C ARG A 16 16.604 -3.720 14.252 1.00 16.91 C ATOM 253 O ARG A 16 16.653 -3.439 13.071 1.00 17.29 O ATOM 254 CB ARG A 16 14.816 -2.346 15.334 1.00 15.77 C ATOM 255 CG ARG A 16 14.342 -2.213 16.784 1.00 21.61 C ATOM 256 CD ARG A 16 14.741 -3.462 17.573 1.00 24.15 C ATOM 257 NE ARG A 16 13.555 -3.983 18.311 1.00 30.82 N ATOM 258 CZ ARG A 16 13.577 -5.183 18.827 1.00 29.13 C ATOM 259 NH1 ARG A 16 14.642 -5.930 18.708 1.00 34.38 N ATOM 260 NH2 ARG A 16 12.533 -5.637 19.465 1.00 25.71 N ATOM 0 H ARG A 16 16.820 -0.978 14.088 1.00 15.28 H new ATOM 0 HA ARG A 16 16.622 -3.015 16.289 1.00 15.21 H new ATOM 0 HB2 ARG A 16 14.614 -1.424 14.789 1.00 15.77 H new ATOM 0 HB3 ARG A 16 14.264 -3.140 14.832 1.00 15.77 H new ATOM 0 HG2 ARG A 16 14.782 -1.326 17.241 1.00 21.61 H new ATOM 0 HG3 ARG A 16 13.260 -2.083 16.813 1.00 21.61 H new ATOM 0 HD2 ARG A 16 15.126 -4.225 16.896 1.00 24.15 H new ATOM 0 HD3 ARG A 16 15.542 -3.223 18.273 1.00 24.15 H new ATOM 0 HE ARG A 16 12.724 -3.401 18.413 1.00 30.82 H new ATOM 0 HH11 ARG A 16 15.460 -5.577 18.211 1.00 34.38 H new ATOM 0 HH12 ARG A 16 14.656 -6.866 19.112 1.00 34.38 H new ATOM 0 HH21 ARG A 16 11.701 -5.055 19.560 1.00 25.71 H new ATOM 0 HH22 ARG A 16 12.549 -6.574 19.868 1.00 25.71 H new ATOM 274 N SER A 17 16.804 -4.939 14.667 1.00 22.35 N ATOM 275 CA SER A 17 17.099 -6.021 13.685 1.00 28.62 C ATOM 276 C SER A 17 16.057 -6.003 12.565 1.00 31.32 C ATOM 277 O SER A 17 15.030 -6.648 12.645 1.00 33.90 O ATOM 278 CB SER A 17 17.064 -7.377 14.392 1.00 30.78 C ATOM 279 OG SER A 17 17.157 -8.413 13.424 1.00 38.77 O ATOM 0 H SER A 17 16.776 -5.234 15.643 1.00 22.35 H new ATOM 0 HA SER A 17 18.089 -5.858 13.258 1.00 28.62 H new ATOM 0 HB2 SER A 17 17.888 -7.452 15.102 1.00 30.78 H new ATOM 0 HB3 SER A 17 16.141 -7.479 14.963 1.00 30.78 H new ATOM 0 HG SER A 17 17.136 -9.284 13.874 1.00 38.77 H new ATOM 285 N GLY A 18 16.322 -5.275 11.517 1.00 32.28 N ATOM 286 CA GLY A 18 15.364 -5.214 10.377 1.00 32.82 C ATOM 287 C GLY A 18 15.627 -6.388 9.432 1.00 34.58 C ATOM 288 O GLY A 18 16.679 -6.994 9.461 1.00 34.04 O ATOM 0 H GLY A 18 17.167 -4.716 11.400 1.00 32.28 H new ATOM 0 HA2 GLY A 18 14.339 -5.252 10.746 1.00 32.82 H new ATOM 0 HA3 GLY A 18 15.476 -4.270 9.843 1.00 32.82 H new ATOM 292 N VAL A 19 14.683 -6.713 8.592 1.00 36.31 N ATOM 293 CA VAL A 19 14.891 -7.845 7.647 1.00 38.94 C ATOM 294 C VAL A 19 14.468 -7.418 6.244 1.00 39.44 C ATOM 295 O VAL A 19 13.353 -6.987 6.023 1.00 39.08 O ATOM 296 CB VAL A 19 14.053 -9.046 8.088 1.00 39.83 C ATOM 297 CG1 VAL A 19 14.671 -10.332 7.536 1.00 41.87 C ATOM 298 CG2 VAL A 19 14.017 -9.110 9.617 1.00 39.95 C ATOM 0 H VAL A 19 13.780 -6.245 8.520 1.00 36.31 H new ATOM 0 HA VAL A 19 15.945 -8.123 7.643 1.00 38.94 H new ATOM 0 HB VAL A 19 13.038 -8.940 7.706 1.00 39.83 H new ATOM 0 HG11 VAL A 19 14.073 -11.187 7.851 1.00 41.87 H new ATOM 0 HG12 VAL A 19 14.694 -10.286 6.447 1.00 41.87 H new ATOM 0 HG13 VAL A 19 15.687 -10.440 7.916 1.00 41.87 H new ATOM 0 HG21 VAL A 19 13.420 -9.966 9.931 1.00 39.95 H new ATOM 0 HG22 VAL A 19 15.032 -9.215 10.001 1.00 39.95 H new ATOM 0 HG23 VAL A 19 13.574 -8.195 10.009 1.00 39.95 H new ATOM 308 N SER A 20 15.353 -7.525 5.293 1.00 41.09 N ATOM 309 CA SER A 20 15.009 -7.117 3.905 1.00 44.70 C ATOM 310 C SER A 20 13.903 -8.027 3.360 1.00 47.21 C ATOM 311 O SER A 20 14.169 -9.045 2.753 1.00 47.07 O ATOM 312 CB SER A 20 16.249 -7.236 3.018 1.00 44.37 C ATOM 313 OG SER A 20 16.627 -5.943 2.565 1.00 46.57 O ATOM 0 H SER A 20 16.302 -7.878 5.419 1.00 41.09 H new ATOM 0 HA SER A 20 14.659 -6.085 3.907 1.00 44.70 H new ATOM 0 HB2 SER A 20 17.067 -7.692 3.576 1.00 44.37 H new ATOM 0 HB3 SER A 20 16.041 -7.886 2.168 1.00 44.37 H new ATOM 0 HG SER A 20 17.423 -6.015 1.997 1.00 46.57 H new ATOM 319 N ARG A 21 12.666 -7.666 3.568 1.00 50.78 N ATOM 320 CA ARG A 21 11.546 -8.515 3.054 1.00 55.55 C ATOM 321 C ARG A 21 11.846 -9.990 3.331 1.00 55.58 C ATOM 322 O ARG A 21 11.819 -10.816 2.440 1.00 54.47 O ATOM 323 CB ARG A 21 11.400 -8.305 1.548 1.00 59.49 C ATOM 324 CG ARG A 21 10.728 -6.956 1.281 1.00 60.53 C ATOM 325 CD ARG A 21 11.727 -6.011 0.613 1.00 64.36 C ATOM 326 NE ARG A 21 11.252 -4.606 0.753 1.00 68.68 N ATOM 327 CZ ARG A 21 12.069 -3.611 0.530 1.00 71.11 C ATOM 328 NH1 ARG A 21 13.307 -3.843 0.184 1.00 70.71 N ATOM 329 NH2 ARG A 21 11.647 -2.383 0.654 1.00 71.56 N ATOM 0 H ARG A 21 12.380 -6.825 4.069 1.00 50.78 H new ATOM 0 HA ARG A 21 10.621 -8.233 3.557 1.00 55.55 H new ATOM 0 HB2 ARG A 21 12.379 -8.336 1.070 1.00 59.49 H new ATOM 0 HB3 ARG A 21 10.807 -9.110 1.114 1.00 59.49 H new ATOM 0 HG2 ARG A 21 9.856 -7.092 0.641 1.00 60.53 H new ATOM 0 HG3 ARG A 21 10.372 -6.524 2.216 1.00 60.53 H new ATOM 0 HD2 ARG A 21 12.710 -6.121 1.071 1.00 64.36 H new ATOM 0 HD3 ARG A 21 11.836 -6.266 -0.441 1.00 64.36 H new ATOM 0 HE ARG A 21 10.286 -4.420 1.024 1.00 68.68 H new ATOM 0 HH11 ARG A 21 13.638 -4.803 0.087 1.00 70.71 H new ATOM 0 HH12 ARG A 21 13.943 -3.064 0.011 1.00 70.71 H new ATOM 0 HH21 ARG A 21 10.681 -2.201 0.925 1.00 71.56 H new ATOM 0 HH22 ARG A 21 12.283 -1.605 0.480 1.00 71.56 H new ATOM 343 N GLN A 22 12.128 -10.329 4.559 1.00 57.32 N ATOM 344 CA GLN A 22 12.426 -11.751 4.892 1.00 58.73 C ATOM 345 C GLN A 22 13.490 -12.294 3.934 1.00 58.18 C ATOM 346 O GLN A 22 13.629 -13.488 3.760 1.00 59.52 O ATOM 347 CB GLN A 22 11.150 -12.584 4.759 1.00 62.32 C ATOM 348 CG GLN A 22 10.614 -12.922 6.151 1.00 65.12 C ATOM 349 CD GLN A 22 10.774 -14.421 6.410 1.00 66.38 C ATOM 350 OE1 GLN A 22 9.805 -15.154 6.429 1.00 66.60 O ATOM 351 NE2 GLN A 22 11.967 -14.912 6.613 1.00 65.96 N ATOM 0 H GLN A 22 12.165 -9.682 5.347 1.00 57.32 H new ATOM 0 HA GLN A 22 12.797 -11.811 5.915 1.00 58.73 H new ATOM 0 HB2 GLN A 22 10.400 -12.032 4.193 1.00 62.32 H new ATOM 0 HB3 GLN A 22 11.357 -13.500 4.205 1.00 62.32 H new ATOM 0 HG2 GLN A 22 11.153 -12.352 6.908 1.00 65.12 H new ATOM 0 HG3 GLN A 22 9.564 -12.639 6.226 1.00 65.12 H new ATOM 0 HE21 GLN A 22 12.781 -14.297 6.597 1.00 65.96 H new ATOM 0 HE22 GLN A 22 12.085 -15.910 6.787 1.00 65.96 H new ATOM 360 N GLY A 23 14.245 -11.429 3.314 1.00 55.49 N ATOM 361 CA GLY A 23 15.299 -11.899 2.374 1.00 50.89 C ATOM 362 C GLY A 23 16.654 -11.875 3.081 1.00 48.17 C ATOM 363 O GLY A 23 17.469 -12.761 2.917 1.00 50.32 O ATOM 0 H GLY A 23 14.177 -10.417 3.418 1.00 55.49 H new ATOM 0 HA2 GLY A 23 15.073 -12.909 2.031 1.00 50.89 H new ATOM 0 HA3 GLY A 23 15.325 -11.261 1.491 1.00 50.89 H new ATOM 367 N LYS A 24 16.898 -10.866 3.871 1.00 44.99 N ATOM 368 CA LYS A 24 18.195 -10.779 4.596 1.00 42.22 C ATOM 369 C LYS A 24 18.019 -9.898 5.837 1.00 42.41 C ATOM 370 O LYS A 24 17.218 -8.985 5.835 1.00 42.26 O ATOM 371 CB LYS A 24 19.253 -10.161 3.679 1.00 40.33 C ATOM 372 CG LYS A 24 19.801 -11.233 2.734 1.00 40.86 C ATOM 373 CD LYS A 24 21.290 -10.982 2.486 1.00 37.00 C ATOM 374 CE LYS A 24 21.672 -11.504 1.100 1.00 36.58 C ATOM 375 NZ LYS A 24 21.855 -12.982 1.158 1.00 34.22 N ATOM 0 H LYS A 24 16.252 -10.096 4.046 1.00 44.99 H new ATOM 0 HA LYS A 24 18.515 -11.777 4.896 1.00 42.22 H new ATOM 0 HB2 LYS A 24 18.818 -9.343 3.105 1.00 40.33 H new ATOM 0 HB3 LYS A 24 20.062 -9.738 4.274 1.00 40.33 H new ATOM 0 HG2 LYS A 24 19.655 -12.223 3.166 1.00 40.86 H new ATOM 0 HG3 LYS A 24 19.256 -11.214 1.790 1.00 40.86 H new ATOM 0 HD2 LYS A 24 21.507 -9.916 2.557 1.00 37.00 H new ATOM 0 HD3 LYS A 24 21.886 -11.480 3.251 1.00 37.00 H new ATOM 0 HE2 LYS A 24 20.896 -11.251 0.378 1.00 36.58 H new ATOM 0 HE3 LYS A 24 22.591 -11.026 0.760 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 22.115 -13.337 0.216 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 22.610 -13.212 1.835 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 20.968 -13.430 1.464 1.00 34.22 H new ATOM 389 N PRO A 25 18.772 -10.200 6.863 1.00 42.36 N ATOM 390 CA PRO A 25 18.721 -9.452 8.130 1.00 40.32 C ATOM 391 C PRO A 25 19.474 -8.125 8.000 1.00 36.91 C ATOM 392 O PRO A 25 20.595 -8.080 7.533 1.00 36.63 O ATOM 393 CB PRO A 25 19.411 -10.381 9.127 1.00 42.73 C ATOM 394 CG PRO A 25 20.298 -11.327 8.294 1.00 43.71 C ATOM 395 CD PRO A 25 19.743 -11.311 6.858 1.00 44.10 C ATOM 0 HA PRO A 25 17.707 -9.193 8.434 1.00 40.32 H new ATOM 0 HB2 PRO A 25 20.010 -9.812 9.838 1.00 42.73 H new ATOM 0 HB3 PRO A 25 18.678 -10.944 9.705 1.00 42.73 H new ATOM 0 HG2 PRO A 25 21.337 -10.997 8.310 1.00 43.71 H new ATOM 0 HG3 PRO A 25 20.278 -12.337 8.705 1.00 43.71 H new ATOM 0 HD2 PRO A 25 20.534 -11.147 6.126 1.00 44.10 H new ATOM 0 HD3 PRO A 25 19.265 -12.257 6.604 1.00 44.10 H new ATOM 403 N TYR A 26 18.869 -7.043 8.412 1.00 32.09 N ATOM 404 CA TYR A 26 19.555 -5.726 8.311 1.00 27.86 C ATOM 405 C TYR A 26 19.174 -4.856 9.509 1.00 26.29 C ATOM 406 O TYR A 26 18.039 -4.832 9.931 1.00 28.07 O ATOM 407 CB TYR A 26 19.149 -5.027 7.005 1.00 23.99 C ATOM 408 CG TYR A 26 17.712 -4.542 7.072 1.00 24.09 C ATOM 409 CD1 TYR A 26 17.369 -3.463 7.894 1.00 24.63 C ATOM 410 CD2 TYR A 26 16.731 -5.162 6.287 1.00 24.19 C ATOM 411 CE1 TYR A 26 16.047 -3.005 7.934 1.00 24.84 C ATOM 412 CE2 TYR A 26 15.408 -4.703 6.328 1.00 24.77 C ATOM 413 CZ TYR A 26 15.067 -3.626 7.150 1.00 24.25 C ATOM 414 OH TYR A 26 13.764 -3.174 7.190 1.00 29.25 O ATOM 0 H TYR A 26 17.932 -7.016 8.813 1.00 32.09 H new ATOM 0 HA TYR A 26 20.634 -5.880 8.310 1.00 27.86 H new ATOM 0 HB2 TYR A 26 19.813 -4.183 6.818 1.00 23.99 H new ATOM 0 HB3 TYR A 26 19.266 -5.716 6.168 1.00 23.99 H new ATOM 0 HD1 TYR A 26 18.125 -2.983 8.498 1.00 24.63 H new ATOM 0 HD2 TYR A 26 16.995 -5.994 5.650 1.00 24.19 H new ATOM 0 HE1 TYR A 26 15.783 -2.173 8.570 1.00 24.84 H new ATOM 0 HE2 TYR A 26 14.651 -5.182 5.724 1.00 24.77 H new ATOM 0 HH TYR A 26 13.212 -3.713 6.586 1.00 29.25 H new ATOM 424 N SER A 27 20.114 -4.139 10.059 1.00 24.52 N ATOM 425 CA SER A 27 19.799 -3.267 11.227 1.00 22.20 C ATOM 426 C SER A 27 19.681 -1.819 10.746 1.00 20.52 C ATOM 427 O SER A 27 20.606 -1.039 10.864 1.00 23.07 O ATOM 428 CB SER A 27 20.924 -3.372 12.260 1.00 25.30 C ATOM 429 OG SER A 27 22.174 -3.437 11.586 1.00 29.25 O ATOM 0 H SER A 27 21.086 -4.118 9.751 1.00 24.52 H new ATOM 0 HA SER A 27 18.861 -3.583 11.683 1.00 22.20 H new ATOM 0 HB2 SER A 27 20.902 -2.511 12.928 1.00 25.30 H new ATOM 0 HB3 SER A 27 20.784 -4.259 12.878 1.00 25.30 H new ATOM 0 HG SER A 27 22.285 -2.641 11.025 1.00 29.25 H new ATOM 435 N LEU A 28 18.558 -1.457 10.190 1.00 18.57 N ATOM 436 CA LEU A 28 18.391 -0.064 9.685 1.00 16.31 C ATOM 437 C LEU A 28 17.795 0.828 10.781 1.00 14.21 C ATOM 438 O LEU A 28 16.958 0.408 11.555 1.00 16.97 O ATOM 439 CB LEU A 28 17.464 -0.078 8.470 1.00 16.48 C ATOM 440 CG LEU A 28 17.999 0.883 7.408 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.910 0.223 6.030 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.164 2.167 7.414 1.00 22.01 C ATOM 0 H LEU A 28 17.749 -2.065 10.063 1.00 18.57 H new ATOM 0 HA LEU A 28 19.365 0.335 9.400 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.397 -1.087 8.062 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.456 0.214 8.765 1.00 16.48 H new ATOM 0 HG LEU A 28 19.039 1.125 7.628 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.291 0.908 5.273 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.505 -0.691 6.025 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.871 -0.019 5.809 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.545 2.852 6.657 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.124 1.926 7.194 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.228 2.638 8.395 1.00 22.01 H new ATOM 454 N ASN A 29 18.225 2.062 10.846 1.00 11.64 N ATOM 455 CA ASN A 29 17.695 2.996 11.884 1.00 9.77 C ATOM 456 C ASN A 29 16.205 3.250 11.639 1.00 7.94 C ATOM 457 O ASN A 29 15.785 3.513 10.529 1.00 10.52 O ATOM 458 CB ASN A 29 18.452 4.323 11.802 1.00 14.73 C ATOM 459 CG ASN A 29 19.851 4.153 12.397 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.067 3.304 13.238 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.817 4.931 11.992 1.00 12.89 N ATOM 0 H ASN A 29 18.924 2.464 10.222 1.00 11.64 H new ATOM 0 HA ASN A 29 17.829 2.553 12.871 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.524 4.649 10.764 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.908 5.098 12.342 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.754 4.826 12.382 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.635 5.644 11.286 1.00 12.89 H new ATOM 468 N GLU A 30 15.404 3.179 12.667 1.00 8.58 N ATOM 469 CA GLU A 30 13.942 3.423 12.497 1.00 13.16 C ATOM 470 C GLU A 30 13.502 4.541 13.446 1.00 12.26 C ATOM 471 O GLU A 30 13.969 4.638 14.563 1.00 10.58 O ATOM 472 CB GLU A 30 13.169 2.144 12.825 1.00 14.93 C ATOM 473 CG GLU A 30 12.734 1.462 11.526 1.00 27.13 C ATOM 474 CD GLU A 30 11.383 0.776 11.737 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.322 -0.133 12.548 1.00 38.01 O ATOM 476 OE2 GLU A 30 10.432 1.171 11.082 1.00 40.03 O ATOM 0 H GLU A 30 15.699 2.962 13.619 1.00 8.58 H new ATOM 0 HA GLU A 30 13.738 3.716 11.467 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.793 1.469 13.411 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.296 2.380 13.434 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.659 2.197 10.724 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.481 0.730 11.219 1.00 27.13 H new ATOM 483 N GLN A 31 12.608 5.387 13.011 1.00 10.34 N ATOM 484 CA GLN A 31 12.143 6.497 13.893 1.00 9.46 C ATOM 485 C GLN A 31 10.619 6.431 14.029 1.00 10.09 C ATOM 486 O GLN A 31 9.975 5.558 13.482 1.00 9.36 O ATOM 487 CB GLN A 31 12.547 7.841 13.275 1.00 7.25 C ATOM 488 CG GLN A 31 12.860 8.854 14.380 1.00 10.62 C ATOM 489 CD GLN A 31 11.994 10.099 14.181 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.914 10.019 13.631 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.425 11.254 14.606 1.00 12.39 N ATOM 0 H GLN A 31 12.180 5.358 12.086 1.00 10.34 H new ATOM 0 HA GLN A 31 12.600 6.400 14.878 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.419 7.708 12.635 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.742 8.217 12.644 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.666 8.414 15.358 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.916 9.123 14.355 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.332 11.321 15.068 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.855 12.090 14.477 1.00 12.39 H new ATOM 500 N LEU A 32 10.037 7.346 14.756 1.00 6.80 N ATOM 501 CA LEU A 32 8.556 7.332 14.927 1.00 10.34 C ATOM 502 C LEU A 32 7.986 8.707 14.573 1.00 9.02 C ATOM 503 O LEU A 32 8.716 9.643 14.314 1.00 11.15 O ATOM 504 CB LEU A 32 8.217 6.995 16.381 1.00 10.20 C ATOM 505 CG LEU A 32 8.422 5.498 16.617 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.277 5.291 17.869 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.062 4.822 16.809 1.00 15.89 C ATOM 0 H LEU A 32 10.523 8.102 15.239 1.00 6.80 H new ATOM 0 HA LEU A 32 8.120 6.581 14.268 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.850 7.571 17.056 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.185 7.271 16.599 1.00 10.20 H new ATOM 0 HG LEU A 32 8.928 5.060 15.756 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.423 4.224 18.037 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.245 5.773 17.732 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.773 5.728 18.731 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.207 3.755 16.977 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.556 5.260 17.670 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.453 4.969 15.917 1.00 15.89 H new ATOM 519 N CYS A 33 6.687 8.839 14.559 1.00 9.68 N ATOM 520 CA CYS A 33 6.073 10.151 14.222 1.00 8.10 C ATOM 521 C CYS A 33 4.588 10.089 14.562 1.00 6.34 C ATOM 522 O CYS A 33 4.049 9.031 14.813 1.00 8.02 O ATOM 523 CB CYS A 33 6.234 10.471 12.726 1.00 8.88 C ATOM 524 SG CYS A 33 6.896 9.046 11.821 1.00 13.84 S ATOM 0 H CYS A 33 6.025 8.092 14.767 1.00 9.68 H new ATOM 0 HA CYS A 33 6.572 10.933 14.794 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.269 10.756 12.306 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.900 11.325 12.603 1.00 8.88 H new ATOM 0 HG CYS A 33 6.293 8.942 10.674 1.00 13.84 H new ATOM 530 N TYR A 34 3.919 11.204 14.574 1.00 7.35 N ATOM 531 CA TYR A 34 2.470 11.186 14.903 1.00 7.08 C ATOM 532 C TYR A 34 1.675 11.763 13.737 1.00 7.71 C ATOM 533 O TYR A 34 1.686 12.953 13.500 1.00 7.80 O ATOM 534 CB TYR A 34 2.220 12.045 16.134 1.00 8.67 C ATOM 535 CG TYR A 34 2.419 11.233 17.390 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.367 10.462 17.905 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.646 11.275 18.056 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.545 9.738 19.084 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.822 10.553 19.239 1.00 16.38 C ATOM 540 CZ TYR A 34 2.770 9.787 19.751 1.00 16.83 C ATOM 541 OH TYR A 34 2.945 9.073 20.920 1.00 21.14 O ATOM 0 H TYR A 34 4.310 12.124 14.371 1.00 7.35 H new ATOM 0 HA TYR A 34 2.159 10.159 15.094 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.898 12.899 16.134 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.206 12.443 16.108 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.419 10.429 17.389 1.00 13.61 H new ATOM 0 HD2 TYR A 34 4.458 11.865 17.657 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.737 9.141 19.480 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.769 10.586 19.757 1.00 16.38 H new ATOM 0 HH TYR A 34 3.854 9.214 21.257 1.00 21.14 H new ATOM 551 N VAL A 35 0.980 10.939 13.010 1.00 9.44 N ATOM 552 CA VAL A 35 0.186 11.464 11.867 1.00 10.66 C ATOM 553 C VAL A 35 -1.295 11.504 12.240 1.00 10.57 C ATOM 554 O VAL A 35 -1.929 10.482 12.406 1.00 8.31 O ATOM 555 CB VAL A 35 0.375 10.565 10.645 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.430 11.131 9.473 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.859 10.519 10.273 1.00 9.86 C ATOM 0 H VAL A 35 0.926 9.931 13.155 1.00 9.44 H new ATOM 0 HA VAL A 35 0.530 12.471 11.632 1.00 10.66 H new ATOM 0 HB VAL A 35 0.028 9.557 10.873 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.298 10.493 8.599 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.486 11.166 9.740 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.080 12.137 9.243 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.996 9.878 9.402 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.207 11.526 10.042 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.432 10.120 11.110 1.00 9.86 H new ATOM 567 N ASP A 36 -1.857 12.675 12.364 1.00 8.58 N ATOM 568 CA ASP A 36 -3.292 12.763 12.706 1.00 11.48 C ATOM 569 C ASP A 36 -4.093 12.146 11.563 1.00 12.38 C ATOM 570 O ASP A 36 -5.179 11.638 11.751 1.00 11.89 O ATOM 571 CB ASP A 36 -3.691 14.230 12.884 1.00 16.17 C ATOM 572 CG ASP A 36 -3.093 14.770 14.184 1.00 17.97 C ATOM 573 OD1 ASP A 36 -1.885 14.692 14.334 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.854 15.251 15.008 1.00 25.89 O ATOM 0 H ASP A 36 -1.381 13.569 12.242 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.492 12.231 13.636 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.338 14.819 12.037 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.777 14.322 12.906 1.00 16.17 H new ATOM 579 N LEU A 37 -3.551 12.183 10.375 1.00 13.17 N ATOM 580 CA LEU A 37 -4.265 11.601 9.208 1.00 18.47 C ATOM 581 C LEU A 37 -5.706 12.104 9.196 1.00 21.14 C ATOM 582 O LEU A 37 -6.609 11.424 8.751 1.00 24.24 O ATOM 583 CB LEU A 37 -4.260 10.077 9.313 1.00 15.81 C ATOM 584 CG LEU A 37 -4.912 9.483 8.066 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.865 8.707 7.265 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.042 8.539 8.484 1.00 20.01 C ATOM 0 H LEU A 37 -2.641 12.593 10.165 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.764 11.902 8.288 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.238 9.711 9.412 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.800 9.761 10.205 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.319 10.284 7.449 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.329 8.283 6.375 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.061 9.381 6.969 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.458 7.904 7.880 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.509 8.114 7.595 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.636 7.736 9.100 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.787 9.093 9.055 1.00 20.01 H new ATOM 598 N GLY A 38 -5.928 13.291 9.683 1.00 20.70 N ATOM 599 CA GLY A 38 -7.308 13.837 9.700 1.00 23.91 C ATOM 600 C GLY A 38 -8.124 13.129 10.788 1.00 26.50 C ATOM 601 O GLY A 38 -9.327 13.281 10.872 1.00 31.02 O ATOM 0 H GLY A 38 -5.212 13.906 10.070 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.284 14.910 9.889 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.779 13.695 8.727 1.00 23.91 H new ATOM 605 N ASN A 39 -7.479 12.347 11.616 1.00 27.64 N ATOM 606 CA ASN A 39 -8.215 11.620 12.688 1.00 30.27 C ATOM 607 C ASN A 39 -8.377 12.509 13.924 1.00 26.79 C ATOM 608 O ASN A 39 -8.881 12.081 14.943 1.00 26.87 O ATOM 609 CB ASN A 39 -7.446 10.351 13.071 1.00 35.62 C ATOM 610 CG ASN A 39 -6.898 9.677 11.811 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.349 9.951 10.716 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.937 8.798 11.920 1.00 39.63 N ATOM 0 H ASN A 39 -6.473 12.182 11.594 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.203 11.353 12.313 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.628 10.601 13.746 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.102 9.664 13.606 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.566 8.342 11.086 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.558 8.568 12.839 1.00 39.63 H new ATOM 619 N GLU A 40 -7.958 13.737 13.835 1.00 25.15 N ATOM 620 CA GLU A 40 -8.080 14.685 14.990 1.00 23.81 C ATOM 621 C GLU A 40 -6.949 14.457 15.994 1.00 21.12 C ATOM 622 O GLU A 40 -6.361 15.388 16.507 1.00 19.86 O ATOM 623 CB GLU A 40 -9.430 14.500 15.691 1.00 27.22 C ATOM 624 CG GLU A 40 -10.555 14.482 14.653 1.00 34.87 C ATOM 625 CD GLU A 40 -11.888 14.204 15.350 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.047 13.111 15.867 1.00 42.34 O ATOM 627 OE2 GLU A 40 -12.728 15.090 15.355 1.00 39.54 O ATOM 0 H GLU A 40 -7.528 14.137 13.001 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.012 15.702 14.603 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.431 13.569 16.258 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.594 15.308 16.404 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.598 15.438 14.131 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.359 13.717 13.902 1.00 34.87 H new ATOM 634 N HIS A 41 -6.644 13.230 16.273 1.00 5.57 N ATOM 635 CA HIS A 41 -5.550 12.926 17.243 1.00 5.28 C ATOM 636 C HIS A 41 -4.338 12.404 16.475 1.00 4.11 C ATOM 637 O HIS A 41 -4.481 11.883 15.389 1.00 3.03 O ATOM 638 CB HIS A 41 -6.024 11.859 18.233 1.00 5.75 C ATOM 639 CG HIS A 41 -6.891 12.496 19.283 1.00 5.52 C ATOM 640 ND1 HIS A 41 -8.199 12.876 19.031 1.00 5.30 N ATOM 641 CD2 HIS A 41 -6.651 12.825 20.594 1.00 5.71 C ATOM 642 CE1 HIS A 41 -8.693 13.407 20.164 1.00 5.37 C ATOM 643 NE2 HIS A 41 -7.791 13.400 21.149 1.00 5.63 N ATOM 0 H HIS A 41 -7.104 12.413 15.872 1.00 5.57 H new ATOM 0 HA HIS A 41 -5.281 13.830 17.790 1.00 5.28 H new ATOM 0 HB2 HIS A 41 -6.581 11.083 17.708 1.00 5.75 H new ATOM 0 HB3 HIS A 41 -5.166 11.375 18.700 1.00 5.75 H new ATOM 0 HD2 HIS A 41 -5.719 12.662 21.116 1.00 5.71 H new ATOM 0 HE1 HIS A 41 -9.697 13.792 20.265 1.00 5.37 H new ATOM 0 HE2 HIS A 41 -7.911 13.742 22.102 1.00 5.63 H new ATOM 651 N PRO A 42 -3.177 12.561 17.057 1.00 15.11 N ATOM 652 CA PRO A 42 -1.922 12.115 16.434 1.00 16.08 C ATOM 653 C PRO A 42 -1.766 10.603 16.567 1.00 17.92 C ATOM 654 O PRO A 42 -2.033 10.030 17.604 1.00 17.13 O ATOM 655 CB PRO A 42 -0.842 12.828 17.243 1.00 16.41 C ATOM 656 CG PRO A 42 -1.473 13.166 18.607 1.00 13.79 C ATOM 657 CD PRO A 42 -3.001 13.188 18.385 1.00 16.28 C ATOM 0 HA PRO A 42 -1.877 12.341 15.369 1.00 16.08 H new ATOM 0 HB2 PRO A 42 0.034 12.191 17.367 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.509 13.733 16.734 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.200 12.423 19.356 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.119 14.131 18.971 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.526 12.632 19.162 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.392 14.205 18.402 1.00 16.28 H new ATOM 665 N VAL A 43 -1.322 9.956 15.532 1.00 16.29 N ATOM 666 CA VAL A 43 -1.133 8.487 15.608 1.00 14.28 C ATOM 667 C VAL A 43 0.360 8.179 15.549 1.00 9.00 C ATOM 668 O VAL A 43 1.030 8.481 14.582 1.00 7.99 O ATOM 669 CB VAL A 43 -1.847 7.816 14.438 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.282 8.340 14.345 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.102 8.128 13.140 1.00 20.57 C ATOM 0 H VAL A 43 -1.082 10.381 14.636 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.550 8.107 16.541 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.866 6.737 14.595 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.791 7.860 13.509 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.812 8.115 15.270 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.266 9.419 14.189 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.611 7.649 12.304 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.081 9.206 12.983 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.081 7.751 13.207 1.00 20.57 H new ATOM 681 N LEU A 44 0.891 7.591 16.583 1.00 10.19 N ATOM 682 CA LEU A 44 2.343 7.281 16.593 1.00 11.55 C ATOM 683 C LEU A 44 2.640 6.140 15.624 1.00 10.61 C ATOM 684 O LEU A 44 2.395 4.984 15.908 1.00 13.49 O ATOM 685 CB LEU A 44 2.771 6.882 18.000 1.00 10.60 C ATOM 686 CG LEU A 44 4.249 6.504 17.989 1.00 13.48 C ATOM 687 CD1 LEU A 44 5.080 7.715 17.555 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.675 6.067 19.393 1.00 20.21 C ATOM 0 H LEU A 44 0.381 7.312 17.421 1.00 10.19 H new ATOM 0 HA LEU A 44 2.898 8.166 16.282 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.600 7.706 18.692 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.171 6.042 18.350 1.00 10.60 H new ATOM 0 HG LEU A 44 4.410 5.683 17.290 1.00 13.48 H new ATOM 0 HD11 LEU A 44 6.137 7.447 17.546 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.776 8.025 16.555 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.919 8.536 18.254 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.731 5.797 19.385 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.515 6.887 20.093 1.00 20.21 H new ATOM 0 HD23 LEU A 44 4.082 5.206 19.701 1.00 20.21 H new ATOM 700 N VAL A 45 3.178 6.461 14.484 1.00 10.81 N ATOM 701 CA VAL A 45 3.511 5.413 13.486 1.00 9.29 C ATOM 702 C VAL A 45 5.019 5.218 13.456 1.00 9.95 C ATOM 703 O VAL A 45 5.752 5.835 14.204 1.00 9.36 O ATOM 704 CB VAL A 45 3.033 5.848 12.102 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.605 6.382 12.198 1.00 7.95 C ATOM 706 CG2 VAL A 45 3.953 6.948 11.556 1.00 10.20 C ATOM 0 H VAL A 45 3.403 7.414 14.199 1.00 10.81 H new ATOM 0 HA VAL A 45 3.019 4.480 13.761 1.00 9.29 H new ATOM 0 HB VAL A 45 3.057 4.991 11.429 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.265 6.692 11.210 1.00 7.95 H new ATOM 0 HG12 VAL A 45 0.949 5.599 12.578 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.581 7.236 12.875 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.607 7.254 10.569 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.935 7.805 12.229 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.971 6.567 11.482 1.00 10.20 H new ATOM 716 N LYS A 46 5.489 4.369 12.596 1.00 10.76 N ATOM 717 CA LYS A 46 6.953 4.142 12.522 1.00 12.81 C ATOM 718 C LYS A 46 7.498 4.672 11.194 1.00 13.35 C ATOM 719 O LYS A 46 6.848 4.605 10.169 1.00 12.90 O ATOM 720 CB LYS A 46 7.248 2.644 12.639 1.00 17.04 C ATOM 721 CG LYS A 46 8.179 2.395 13.828 1.00 26.60 C ATOM 722 CD LYS A 46 7.541 1.371 14.770 1.00 33.77 C ATOM 723 CE LYS A 46 6.116 1.808 15.113 1.00 34.48 C ATOM 724 NZ LYS A 46 5.168 0.703 14.797 1.00 36.74 N ATOM 0 H LYS A 46 4.927 3.824 11.943 1.00 10.76 H new ATOM 0 HA LYS A 46 7.438 4.672 13.342 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.319 2.089 12.769 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.710 2.281 11.721 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.145 2.030 13.477 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.365 3.328 14.360 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.527 0.388 14.299 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.134 1.281 15.680 1.00 33.77 H new ATOM 0 HE2 LYS A 46 6.048 2.069 16.169 1.00 34.48 H new ATOM 0 HE3 LYS A 46 5.852 2.701 14.547 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 4.197 1.006 15.014 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 5.238 0.463 13.787 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 5.406 -0.133 15.369 1.00 36.74 H new ATOM 738 N ILE A 47 8.693 5.198 11.209 1.00 13.96 N ATOM 739 CA ILE A 47 9.296 5.735 9.961 1.00 16.93 C ATOM 740 C ILE A 47 10.755 5.277 9.873 1.00 16.52 C ATOM 741 O ILE A 47 11.482 5.308 10.845 1.00 17.67 O ATOM 742 CB ILE A 47 9.230 7.266 9.984 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.462 7.817 8.579 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.305 7.819 10.918 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.364 8.820 8.237 1.00 18.26 C ATOM 0 H ILE A 47 9.279 5.278 12.040 1.00 13.96 H new ATOM 0 HA ILE A 47 8.748 5.367 9.094 1.00 16.93 H new ATOM 0 HB ILE A 47 8.245 7.569 10.339 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.439 8.298 8.522 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.465 7.003 7.854 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.252 8.908 10.929 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.143 7.437 11.926 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.288 7.507 10.566 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.530 9.213 7.234 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.394 8.325 8.277 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.383 9.639 8.956 1.00 18.26 H new ATOM 757 N THR A 48 11.188 4.849 8.720 1.00 16.86 N ATOM 758 CA THR A 48 12.598 4.389 8.584 1.00 16.59 C ATOM 759 C THR A 48 13.543 5.585 8.722 1.00 19.04 C ATOM 760 O THR A 48 13.168 6.717 8.488 1.00 22.56 O ATOM 761 CB THR A 48 12.794 3.737 7.214 1.00 16.30 C ATOM 762 OG1 THR A 48 11.732 2.826 6.970 1.00 17.90 O ATOM 763 CG2 THR A 48 14.128 2.989 7.190 1.00 16.02 C ATOM 0 H THR A 48 10.629 4.798 7.869 1.00 16.86 H new ATOM 0 HA THR A 48 12.818 3.662 9.366 1.00 16.59 H new ATOM 0 HB THR A 48 12.798 4.506 6.441 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.855 2.408 6.092 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.267 2.525 6.214 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.941 3.690 7.378 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.127 2.219 7.961 1.00 16.02 H new ATOM 771 N LEU A 49 14.767 5.342 9.105 1.00 18.35 N ATOM 772 CA LEU A 49 15.739 6.456 9.264 1.00 18.82 C ATOM 773 C LEU A 49 17.030 6.105 8.516 1.00 20.06 C ATOM 774 O LEU A 49 17.728 5.173 8.865 1.00 18.35 O ATOM 775 CB LEU A 49 16.026 6.656 10.760 1.00 18.79 C ATOM 776 CG LEU A 49 16.863 7.918 10.997 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.350 7.565 10.919 1.00 20.41 C ATOM 778 CD2 LEU A 49 16.538 8.995 9.954 1.00 14.50 C ATOM 0 H LEU A 49 15.135 4.414 9.315 1.00 18.35 H new ATOM 0 HA LEU A 49 15.331 7.379 8.852 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.086 6.731 11.307 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.554 5.787 11.152 1.00 18.79 H new ATOM 0 HG LEU A 49 16.624 8.311 11.985 1.00 18.24 H new ATOM 0 HD11 LEU A 49 18.946 8.462 11.087 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.588 6.823 11.681 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.576 7.159 9.933 1.00 20.41 H new ATOM 0 HD21 LEU A 49 17.145 9.880 10.144 1.00 14.50 H new ATOM 0 HD22 LEU A 49 16.756 8.613 8.957 1.00 14.50 H new ATOM 0 HD23 LEU A 49 15.482 9.258 10.019 1.00 14.50 H new ATOM 790 N ASP A 50 17.343 6.837 7.481 1.00 22.62 N ATOM 791 CA ASP A 50 18.577 6.544 6.693 1.00 27.04 C ATOM 792 C ASP A 50 19.775 6.380 7.631 1.00 27.73 C ATOM 793 O ASP A 50 20.097 7.260 8.404 1.00 26.65 O ATOM 794 CB ASP A 50 18.846 7.697 5.723 1.00 29.11 C ATOM 795 CG ASP A 50 18.603 7.225 4.289 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.272 6.294 3.870 1.00 30.76 O ATOM 797 OD2 ASP A 50 17.752 7.803 3.632 1.00 33.99 O ATOM 0 H ASP A 50 16.795 7.629 7.145 1.00 22.62 H new ATOM 0 HA ASP A 50 18.432 5.618 6.136 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.195 8.540 5.955 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.873 8.047 5.833 1.00 29.11 H new ATOM 802 N GLU A 51 20.443 5.260 7.561 1.00 31.16 N ATOM 803 CA GLU A 51 21.623 5.040 8.440 1.00 34.22 C ATOM 804 C GLU A 51 22.527 6.273 8.393 1.00 34.98 C ATOM 805 O GLU A 51 23.172 6.544 7.399 1.00 34.19 O ATOM 806 CB GLU A 51 22.401 3.818 7.949 1.00 38.24 C ATOM 807 CG GLU A 51 23.545 3.521 8.917 1.00 46.84 C ATOM 808 CD GLU A 51 24.200 2.190 8.544 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.003 2.184 7.625 1.00 53.83 O ATOM 810 OE2 GLU A 51 23.888 1.199 9.183 1.00 54.92 O ATOM 0 H GLU A 51 20.221 4.488 6.932 1.00 31.16 H new ATOM 0 HA GLU A 51 21.290 4.872 9.464 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.738 2.956 7.877 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.795 4.002 6.949 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.282 4.323 8.882 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.168 3.479 9.939 1.00 46.84 H new ATOM 817 N GLY A 52 22.579 7.023 9.458 1.00 34.53 N ATOM 818 CA GLY A 52 23.440 8.239 9.471 1.00 34.93 C ATOM 819 C GLY A 52 22.560 9.486 9.388 1.00 36.10 C ATOM 820 O GLY A 52 22.905 10.536 9.894 1.00 35.97 O ATOM 0 H GLY A 52 22.063 6.847 10.320 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.040 8.264 10.381 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.135 8.215 8.632 1.00 34.93 H new ATOM 824 N GLN A 53 21.423 9.381 8.755 1.00 36.52 N ATOM 825 CA GLN A 53 20.523 10.561 8.644 1.00 35.40 C ATOM 826 C GLN A 53 20.024 10.950 10.037 1.00 31.02 C ATOM 827 O GLN A 53 19.948 10.119 10.919 1.00 29.05 O ATOM 828 CB GLN A 53 19.327 10.208 7.756 1.00 41.20 C ATOM 829 CG GLN A 53 19.327 11.106 6.518 1.00 47.61 C ATOM 830 CD GLN A 53 17.886 11.351 6.064 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.952 10.913 6.706 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.666 12.039 4.978 1.00 54.76 N ATOM 0 H GLN A 53 21.080 8.529 8.311 1.00 36.52 H new ATOM 0 HA GLN A 53 21.069 11.396 8.204 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.378 9.161 7.458 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.398 10.336 8.311 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.814 12.054 6.744 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.897 10.637 5.716 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.450 12.406 4.439 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.710 12.210 4.667 1.00 54.76 H new ATOM 841 N PRO A 54 19.693 12.205 10.192 1.00 27.43 N ATOM 842 CA PRO A 54 19.190 12.738 11.467 1.00 23.44 C ATOM 843 C PRO A 54 17.719 12.358 11.656 1.00 20.14 C ATOM 844 O PRO A 54 16.851 12.851 10.964 1.00 21.64 O ATOM 845 CB PRO A 54 19.352 14.250 11.316 1.00 24.39 C ATOM 846 CG PRO A 54 19.400 14.530 9.799 1.00 27.18 C ATOM 847 CD PRO A 54 19.791 13.208 9.114 1.00 28.37 C ATOM 0 HA PRO A 54 19.719 12.347 12.336 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.521 14.779 11.783 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.264 14.594 11.804 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.432 14.880 9.440 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.125 15.312 9.573 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.120 12.973 8.288 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.799 13.255 8.703 1.00 28.37 H new ATOM 855 N ALA A 55 17.438 11.478 12.582 1.00 17.21 N ATOM 856 CA ALA A 55 16.030 11.053 12.820 1.00 15.58 C ATOM 857 C ALA A 55 15.085 12.252 12.686 1.00 16.41 C ATOM 858 O ALA A 55 15.441 13.376 12.979 1.00 13.65 O ATOM 859 CB ALA A 55 15.918 10.471 14.227 1.00 13.98 C ATOM 0 H ALA A 55 18.129 11.034 13.186 1.00 17.21 H new ATOM 0 HA ALA A 55 15.751 10.301 12.082 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.890 10.157 14.410 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.582 9.611 14.319 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.202 11.228 14.958 1.00 13.98 H new ATOM 865 N TYR A 56 13.881 12.013 12.241 1.00 15.93 N ATOM 866 CA TYR A 56 12.901 13.125 12.080 1.00 14.61 C ATOM 867 C TYR A 56 12.923 14.006 13.332 1.00 15.51 C ATOM 868 O TYR A 56 12.361 13.667 14.353 1.00 17.19 O ATOM 869 CB TYR A 56 11.497 12.540 11.871 1.00 12.92 C ATOM 870 CG TYR A 56 11.467 11.779 10.558 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.952 10.468 10.502 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.977 12.396 9.402 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.946 9.773 9.291 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.972 11.700 8.188 1.00 7.90 C ATOM 875 CZ TYR A 56 11.456 10.388 8.132 1.00 10.29 C ATOM 876 OH TYR A 56 11.451 9.701 6.936 1.00 12.03 O ATOM 0 H TYR A 56 13.533 11.090 11.981 1.00 15.93 H new ATOM 0 HA TYR A 56 13.167 13.730 11.213 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.239 11.876 12.696 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.755 13.338 11.860 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.331 9.994 11.395 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.603 13.408 9.446 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.319 8.761 9.248 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.595 12.175 7.295 1.00 7.90 H new ATOM 0 HH TYR A 56 11.078 10.272 6.232 1.00 12.03 H new ATOM 886 N ALA A 57 13.576 15.134 13.261 1.00 13.38 N ATOM 887 CA ALA A 57 13.644 16.037 14.446 1.00 14.95 C ATOM 888 C ALA A 57 12.236 16.275 14.999 1.00 15.46 C ATOM 889 O ALA A 57 11.258 15.895 14.386 1.00 17.82 O ATOM 890 CB ALA A 57 14.259 17.375 14.030 1.00 14.98 C ATOM 0 H ALA A 57 14.066 15.470 12.432 1.00 13.38 H new ATOM 0 HA ALA A 57 14.259 15.573 15.217 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.310 18.037 14.895 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.264 17.208 13.641 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.642 17.834 13.257 1.00 14.98 H new ATOM 896 N PRO A 58 12.180 16.902 16.147 1.00 15.20 N ATOM 897 CA PRO A 58 10.908 17.217 16.822 1.00 16.55 C ATOM 898 C PRO A 58 10.249 18.430 16.163 1.00 16.75 C ATOM 899 O PRO A 58 10.763 19.530 16.212 1.00 17.28 O ATOM 900 CB PRO A 58 11.333 17.538 18.258 1.00 15.65 C ATOM 901 CG PRO A 58 12.825 17.941 18.192 1.00 14.16 C ATOM 902 CD PRO A 58 13.380 17.358 16.879 1.00 13.96 C ATOM 0 HA PRO A 58 10.180 16.407 16.772 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.730 18.347 18.670 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.192 16.674 18.907 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.935 19.025 18.212 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.370 17.550 19.051 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.931 18.108 16.312 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.068 16.534 17.069 1.00 13.96 H new ATOM 910 N GLY A 59 9.117 18.241 15.542 1.00 17.22 N ATOM 911 CA GLY A 59 8.440 19.388 14.880 1.00 15.08 C ATOM 912 C GLY A 59 7.197 18.899 14.134 1.00 14.96 C ATOM 913 O GLY A 59 6.888 17.726 14.130 1.00 13.79 O ATOM 0 H GLY A 59 8.635 17.346 15.465 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.159 20.134 15.623 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.125 19.874 14.185 1.00 15.08 H new ATOM 917 N LEU A 60 6.489 19.791 13.493 1.00 15.83 N ATOM 918 CA LEU A 60 5.279 19.378 12.728 1.00 14.53 C ATOM 919 C LEU A 60 5.740 18.712 11.434 1.00 14.15 C ATOM 920 O LEU A 60 6.685 19.157 10.815 1.00 13.27 O ATOM 921 CB LEU A 60 4.444 20.615 12.388 1.00 15.84 C ATOM 922 CG LEU A 60 2.991 20.380 12.792 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.231 21.708 12.765 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.342 19.398 11.813 1.00 15.01 C ATOM 0 H LEU A 60 6.698 20.789 13.467 1.00 15.83 H new ATOM 0 HA LEU A 60 4.675 18.689 13.319 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.840 21.487 12.908 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.506 20.825 11.320 1.00 15.84 H new ATOM 0 HG LEU A 60 2.957 19.964 13.799 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.194 21.539 13.054 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.693 22.406 13.463 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.264 22.126 11.759 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.304 19.230 12.101 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.376 19.812 10.805 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.883 18.452 11.835 1.00 15.01 H new ATOM 936 N TYR A 61 5.107 17.652 11.011 1.00 11.12 N ATOM 937 CA TYR A 61 5.563 16.999 9.759 1.00 9.57 C ATOM 938 C TYR A 61 4.433 16.841 8.765 1.00 11.76 C ATOM 939 O TYR A 61 3.263 16.886 9.090 1.00 11.26 O ATOM 940 CB TYR A 61 6.150 15.626 10.064 1.00 9.42 C ATOM 941 CG TYR A 61 7.580 15.814 10.471 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.877 16.402 11.700 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.608 15.428 9.604 1.00 10.68 C ATOM 944 CE1 TYR A 61 9.205 16.608 12.069 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.938 15.630 9.973 1.00 13.03 C ATOM 946 CZ TYR A 61 10.234 16.221 11.205 1.00 11.06 C ATOM 947 OH TYR A 61 11.548 16.424 11.578 1.00 14.61 O ATOM 0 H TYR A 61 4.307 17.218 11.472 1.00 11.12 H new ATOM 0 HA TYR A 61 6.325 17.642 9.318 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.588 15.140 10.861 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.085 14.980 9.188 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.079 16.697 12.365 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.373 14.975 8.652 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.439 17.065 13.019 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.736 15.331 9.310 1.00 13.03 H new ATOM 0 HH TYR A 61 11.609 16.456 12.556 1.00 14.61 H new ATOM 957 N THR A 62 4.810 16.624 7.548 1.00 12.22 N ATOM 958 CA THR A 62 3.836 16.415 6.466 1.00 14.26 C ATOM 959 C THR A 62 4.425 15.352 5.566 1.00 15.40 C ATOM 960 O THR A 62 5.526 15.486 5.068 1.00 16.24 O ATOM 961 CB THR A 62 3.634 17.706 5.686 1.00 15.07 C ATOM 962 OG1 THR A 62 4.841 18.050 5.019 1.00 18.36 O ATOM 963 CG2 THR A 62 3.243 18.820 6.653 1.00 11.61 C ATOM 0 H THR A 62 5.785 16.582 7.252 1.00 12.22 H new ATOM 0 HA THR A 62 2.866 16.111 6.859 1.00 14.26 H new ATOM 0 HB THR A 62 2.843 17.571 4.948 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.711 18.880 4.515 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.097 19.748 6.100 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.317 18.552 7.162 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.035 18.958 7.389 1.00 11.61 H new ATOM 971 N VAL A 63 3.731 14.285 5.376 1.00 14.65 N ATOM 972 CA VAL A 63 4.293 13.212 4.531 1.00 15.17 C ATOM 973 C VAL A 63 4.683 13.795 3.181 1.00 14.24 C ATOM 974 O VAL A 63 4.261 14.870 2.803 1.00 19.13 O ATOM 975 CB VAL A 63 3.275 12.095 4.349 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.008 10.823 3.933 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.543 11.848 5.674 1.00 18.64 C ATOM 0 H VAL A 63 2.805 14.105 5.764 1.00 14.65 H new ATOM 0 HA VAL A 63 5.176 12.794 5.015 1.00 15.17 H new ATOM 0 HB VAL A 63 2.552 12.376 3.584 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.288 10.015 3.800 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.536 10.997 2.995 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.724 10.546 4.707 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.814 11.048 5.543 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.264 11.561 6.440 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.030 12.759 5.982 1.00 18.64 H new ATOM 987 N HIS A 64 5.490 13.090 2.457 1.00 13.31 N ATOM 988 CA HIS A 64 5.930 13.581 1.126 1.00 10.78 C ATOM 989 C HIS A 64 5.727 12.458 0.111 1.00 14.19 C ATOM 990 O HIS A 64 6.157 11.334 0.323 1.00 11.59 O ATOM 991 CB HIS A 64 7.413 13.964 1.188 1.00 11.86 C ATOM 992 CG HIS A 64 7.743 14.959 0.105 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.193 14.888 -1.165 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.589 16.040 0.084 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.713 15.890 -1.891 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.570 16.626 -1.179 1.00 20.65 N ATOM 0 H HIS A 64 5.870 12.184 2.729 1.00 13.31 H new ATOM 0 HA HIS A 64 5.352 14.458 0.834 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.645 14.389 2.165 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.031 13.073 1.073 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.180 16.384 0.920 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.468 16.078 -2.926 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.097 17.441 -1.493 1.00 20.65 H new ATOM 1004 N LEU A 65 5.075 12.745 -0.987 1.00 12.93 N ATOM 1005 CA LEU A 65 4.842 11.693 -2.011 1.00 14.44 C ATOM 1006 C LEU A 65 6.159 11.324 -2.699 1.00 12.66 C ATOM 1007 O LEU A 65 6.187 10.489 -3.580 1.00 10.20 O ATOM 1008 CB LEU A 65 3.837 12.194 -3.051 1.00 14.94 C ATOM 1009 CG LEU A 65 4.507 13.204 -3.963 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.439 12.705 -5.409 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.798 14.553 -3.849 1.00 19.03 C ATOM 0 H LEU A 65 4.695 13.664 -1.215 1.00 12.93 H new ATOM 0 HA LEU A 65 4.440 10.807 -1.520 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.457 11.357 -3.636 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.981 12.650 -2.554 1.00 14.94 H new ATOM 0 HG LEU A 65 5.550 13.324 -3.668 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.920 13.429 -6.067 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.952 11.747 -5.488 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.397 12.584 -5.703 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.283 15.275 -4.506 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.754 14.441 -4.141 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.851 14.906 -2.819 1.00 19.03 H new ATOM 1023 N SER A 66 7.258 11.912 -2.297 1.00 13.51 N ATOM 1024 CA SER A 66 8.545 11.547 -2.933 1.00 10.39 C ATOM 1025 C SER A 66 8.705 10.034 -2.807 1.00 8.56 C ATOM 1026 O SER A 66 9.454 9.408 -3.529 1.00 11.70 O ATOM 1027 CB SER A 66 9.694 12.254 -2.212 1.00 12.88 C ATOM 1028 OG SER A 66 10.844 11.418 -2.229 1.00 14.72 O ATOM 0 H SER A 66 7.313 12.620 -1.564 1.00 13.51 H new ATOM 0 HA SER A 66 8.559 11.848 -3.981 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.914 13.204 -2.698 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.410 12.480 -1.184 1.00 12.88 H new ATOM 0 HG SER A 66 11.622 11.925 -1.915 1.00 14.72 H new ATOM 1034 N SER A 67 7.992 9.447 -1.879 1.00 7.98 N ATOM 1035 CA SER A 67 8.076 7.979 -1.678 1.00 8.20 C ATOM 1036 C SER A 67 6.917 7.281 -2.401 1.00 11.02 C ATOM 1037 O SER A 67 6.870 6.070 -2.483 1.00 11.45 O ATOM 1038 CB SER A 67 8.000 7.679 -0.186 1.00 8.01 C ATOM 1039 OG SER A 67 9.316 7.522 0.326 1.00 11.22 O ATOM 0 H SER A 67 7.352 9.931 -1.250 1.00 7.98 H new ATOM 0 HA SER A 67 9.018 7.611 -2.085 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.489 8.489 0.334 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.419 6.773 -0.014 1.00 8.01 H new ATOM 0 HG SER A 67 9.306 7.647 1.298 1.00 11.22 H new ATOM 1045 N PHE A 68 5.973 8.028 -2.915 1.00 10.09 N ATOM 1046 CA PHE A 68 4.818 7.394 -3.614 1.00 11.79 C ATOM 1047 C PHE A 68 5.243 6.960 -5.016 1.00 12.69 C ATOM 1048 O PHE A 68 6.164 7.501 -5.594 1.00 14.25 O ATOM 1049 CB PHE A 68 3.660 8.395 -3.719 1.00 10.08 C ATOM 1050 CG PHE A 68 3.312 8.950 -2.354 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.970 8.499 -1.198 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.347 9.960 -2.255 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.662 9.062 0.044 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.037 10.516 -1.012 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.696 10.069 0.136 1.00 11.87 C ATOM 0 H PHE A 68 5.953 9.047 -2.880 1.00 10.09 H new ATOM 0 HA PHE A 68 4.491 6.523 -3.046 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.935 9.209 -4.390 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.787 7.906 -4.152 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.713 7.718 -1.268 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.841 10.310 -3.143 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.170 8.719 0.933 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.288 11.291 -0.938 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.459 10.502 1.097 1.00 11.87 H new ATOM 1065 N LYS A 69 4.575 5.985 -5.565 1.00 12.51 N ATOM 1066 CA LYS A 69 4.934 5.509 -6.930 1.00 15.38 C ATOM 1067 C LYS A 69 3.659 5.257 -7.733 1.00 15.02 C ATOM 1068 O LYS A 69 2.560 5.369 -7.227 1.00 15.36 O ATOM 1069 CB LYS A 69 5.735 4.210 -6.829 1.00 16.04 C ATOM 1070 CG LYS A 69 7.209 4.536 -6.582 1.00 20.35 C ATOM 1071 CD LYS A 69 8.049 4.018 -7.751 1.00 21.35 C ATOM 1072 CE LYS A 69 8.431 2.558 -7.498 1.00 30.24 C ATOM 1073 NZ LYS A 69 8.281 1.779 -8.760 1.00 32.70 N ATOM 0 H LYS A 69 3.794 5.496 -5.127 1.00 12.51 H new ATOM 0 HA LYS A 69 5.537 6.268 -7.429 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.347 3.594 -6.018 1.00 16.04 H new ATOM 0 HB3 LYS A 69 5.628 3.632 -7.747 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.341 5.613 -6.474 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.542 4.079 -5.650 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.487 4.102 -8.681 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.947 4.625 -7.865 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.459 2.497 -7.140 1.00 30.24 H new ATOM 0 HE3 LYS A 69 7.797 2.135 -6.719 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 8.541 0.787 -8.588 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 7.294 1.828 -9.083 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 8.904 2.178 -9.491 1.00 32.70 H new ATOM 1087 N VAL A 70 3.800 4.915 -8.981 1.00 13.65 N ATOM 1088 CA VAL A 70 2.600 4.652 -9.822 1.00 13.49 C ATOM 1089 C VAL A 70 2.675 3.233 -10.388 1.00 11.85 C ATOM 1090 O VAL A 70 3.702 2.802 -10.874 1.00 12.13 O ATOM 1091 CB VAL A 70 2.547 5.656 -10.968 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.175 5.590 -11.642 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.785 7.067 -10.425 1.00 15.63 C ATOM 0 H VAL A 70 4.696 4.806 -9.457 1.00 13.65 H new ATOM 0 HA VAL A 70 1.702 4.753 -9.212 1.00 13.49 H new ATOM 0 HB VAL A 70 3.320 5.415 -11.697 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.137 6.308 -12.461 1.00 14.02 H new ATOM 0 HG12 VAL A 70 1.009 4.586 -12.032 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.400 5.829 -10.914 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.747 7.784 -11.245 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.014 7.311 -9.694 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.764 7.113 -9.948 1.00 15.63 H new ATOM 1103 N GLY A 71 1.596 2.504 -10.326 1.00 11.15 N ATOM 1104 CA GLY A 71 1.605 1.112 -10.857 1.00 11.07 C ATOM 1105 C GLY A 71 0.591 0.268 -10.085 1.00 12.15 C ATOM 1106 O GLY A 71 -0.309 0.786 -9.455 1.00 12.70 O ATOM 0 H GLY A 71 0.708 2.812 -9.930 1.00 11.15 H new ATOM 0 HA2 GLY A 71 1.359 1.114 -11.919 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.602 0.681 -10.761 1.00 11.07 H new ATOM 1110 N GLN A 72 0.728 -1.029 -10.126 1.00 15.78 N ATOM 1111 CA GLN A 72 -0.232 -1.899 -9.391 1.00 19.42 C ATOM 1112 C GLN A 72 -1.639 -1.686 -9.950 1.00 16.97 C ATOM 1113 O GLN A 72 -2.482 -1.076 -9.322 1.00 20.46 O ATOM 1114 CB GLN A 72 -0.212 -1.537 -7.904 1.00 22.64 C ATOM 1115 CG GLN A 72 -0.436 -2.797 -7.067 1.00 25.29 C ATOM 1116 CD GLN A 72 0.628 -3.839 -7.415 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.746 -3.762 -6.945 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.327 -4.817 -8.224 1.00 25.15 N ATOM 0 H GLN A 72 1.461 -1.522 -10.635 1.00 15.78 H new ATOM 0 HA GLN A 72 0.054 -2.944 -9.513 1.00 19.42 H new ATOM 0 HB2 GLN A 72 0.743 -1.080 -7.643 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -0.987 -0.802 -7.688 1.00 22.64 H new ATOM 0 HG2 GLN A 72 -0.388 -2.554 -6.005 1.00 25.29 H new ATOM 0 HG3 GLN A 72 -1.431 -3.200 -7.257 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.611 -4.882 -8.619 1.00 25.15 H new ATOM 0 HE22 GLN A 72 1.030 -5.517 -8.462 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.899 -2.181 -11.129 1.00 14.56 N ATOM 1128 CA PHE A 73 -3.251 -2.003 -11.729 1.00 14.60 C ATOM 1129 C PHE A 73 -3.491 -0.519 -12.006 1.00 15.63 C ATOM 1130 O PHE A 73 -4.594 -0.098 -12.291 1.00 17.80 O ATOM 1131 CB PHE A 73 -4.311 -2.519 -10.757 1.00 12.63 C ATOM 1132 CG PHE A 73 -4.756 -3.894 -11.188 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -3.874 -4.977 -11.093 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -6.050 -4.088 -11.684 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -4.286 -6.253 -11.493 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -6.463 -5.364 -12.085 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.581 -6.447 -11.990 1.00 17.88 C ATOM 0 H PHE A 73 -1.234 -2.701 -11.702 1.00 14.56 H new ATOM 0 HA PHE A 73 -3.313 -2.562 -12.663 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.906 -2.556 -9.746 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -5.163 -1.839 -10.735 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -2.875 -4.828 -10.711 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -6.731 -3.253 -11.757 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -3.605 -7.088 -11.418 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -7.462 -5.513 -12.468 1.00 18.68 H new ATOM 0 HZ PHE A 73 -5.899 -7.432 -12.300 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.462 0.278 -11.922 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.624 1.736 -12.178 1.00 13.44 C ATOM 1149 C GLY A 74 -3.153 2.420 -10.917 1.00 10.42 C ATOM 1150 O GLY A 74 -4.101 3.178 -10.962 1.00 13.62 O ATOM 0 H GLY A 74 -1.515 -0.018 -11.687 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.669 2.173 -12.468 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.313 1.896 -13.007 1.00 13.44 H new ATOM 1154 N SER A 75 -2.549 2.156 -9.791 1.00 12.64 N ATOM 1155 CA SER A 75 -3.022 2.790 -8.528 1.00 12.47 C ATOM 1156 C SER A 75 -1.833 3.402 -7.782 1.00 12.47 C ATOM 1157 O SER A 75 -0.857 2.736 -7.499 1.00 11.32 O ATOM 1158 CB SER A 75 -3.683 1.731 -7.645 1.00 11.21 C ATOM 1159 OG SER A 75 -4.247 2.359 -6.501 1.00 18.27 O ATOM 0 H SER A 75 -1.750 1.530 -9.691 1.00 12.64 H new ATOM 0 HA SER A 75 -3.743 3.573 -8.765 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.457 1.206 -8.205 1.00 11.21 H new ATOM 0 HB3 SER A 75 -2.949 0.985 -7.340 1.00 11.21 H new ATOM 0 HG SER A 75 -4.673 1.683 -5.934 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.909 4.664 -7.458 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.786 5.313 -6.726 1.00 12.18 C ATOM 1167 C LEU A 76 -0.640 4.659 -5.351 1.00 12.07 C ATOM 1168 O LEU A 76 -1.610 4.245 -4.747 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.080 6.805 -6.554 1.00 11.99 C ATOM 1170 CG LEU A 76 0.230 7.592 -6.593 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.671 7.780 -8.047 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.021 8.962 -5.941 1.00 7.80 C ATOM 0 H LEU A 76 -2.700 5.273 -7.669 1.00 12.43 H new ATOM 0 HA LEU A 76 0.138 5.192 -7.291 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.746 7.149 -7.345 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.593 6.979 -5.608 1.00 11.99 H new ATOM 0 HG LEU A 76 0.999 7.044 -6.049 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.605 8.341 -8.074 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.820 6.805 -8.511 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.097 8.328 -8.592 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.954 9.524 -5.968 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.749 9.510 -6.485 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.292 8.828 -4.905 1.00 7.80 H new ATOM 1184 N MET A 77 0.561 4.559 -4.849 1.00 14.08 N ATOM 1185 CA MET A 77 0.757 3.926 -3.513 1.00 14.12 C ATOM 1186 C MET A 77 2.096 4.373 -2.930 1.00 11.37 C ATOM 1187 O MET A 77 3.067 4.547 -3.639 1.00 11.44 O ATOM 1188 CB MET A 77 0.758 2.398 -3.646 1.00 16.48 C ATOM 1189 CG MET A 77 -0.029 1.974 -4.888 1.00 24.75 C ATOM 1190 SD MET A 77 0.237 0.211 -5.198 1.00 35.11 S ATOM 1191 CE MET A 77 2.016 0.301 -5.513 1.00 33.86 C ATOM 0 H MET A 77 1.413 4.887 -5.304 1.00 14.08 H new ATOM 0 HA MET A 77 -0.058 4.231 -2.857 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.783 2.032 -3.714 1.00 16.48 H new ATOM 0 HB3 MET A 77 0.317 1.948 -2.756 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.091 2.173 -4.744 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.290 2.558 -5.751 1.00 24.75 H new ATOM 0 HE1 MET A 77 2.314 -0.529 -6.154 1.00 33.86 H new ATOM 0 HE2 MET A 77 2.251 1.244 -6.007 1.00 33.86 H new ATOM 0 HE3 MET A 77 2.556 0.242 -4.568 1.00 33.86 H new ATOM 1201 N ILE A 78 2.157 4.553 -1.642 1.00 11.78 N ATOM 1202 CA ILE A 78 3.438 4.981 -1.013 1.00 11.62 C ATOM 1203 C ILE A 78 4.484 3.878 -1.183 1.00 11.45 C ATOM 1204 O ILE A 78 4.182 2.702 -1.126 1.00 12.59 O ATOM 1205 CB ILE A 78 3.229 5.240 0.480 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.497 6.571 0.674 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.587 5.290 1.196 1.00 10.70 C ATOM 1208 CD1 ILE A 78 1.133 6.314 1.323 1.00 13.67 C ATOM 0 H ILE A 78 1.377 4.423 -0.997 1.00 11.78 H new ATOM 0 HA ILE A 78 3.779 5.897 -1.496 1.00 11.62 H new ATOM 0 HB ILE A 78 2.631 4.433 0.902 1.00 12.05 H new ATOM 0 HG12 ILE A 78 3.090 7.237 1.301 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.367 7.070 -0.286 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.431 5.475 2.259 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.103 4.339 1.065 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.192 6.092 0.773 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.612 7.261 1.461 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.540 5.664 0.679 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.275 5.834 2.291 1.00 13.67 H new ATOM 1220 N ASP A 79 5.716 4.255 -1.352 1.00 10.05 N ATOM 1221 CA ASP A 79 6.802 3.246 -1.484 1.00 14.79 C ATOM 1222 C ASP A 79 7.545 3.207 -0.155 1.00 15.20 C ATOM 1223 O ASP A 79 7.552 2.216 0.547 1.00 18.10 O ATOM 1224 CB ASP A 79 7.761 3.653 -2.605 1.00 12.21 C ATOM 1225 CG ASP A 79 8.491 2.415 -3.127 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.912 1.706 -3.934 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.617 2.195 -2.711 1.00 21.87 O ATOM 0 H ASP A 79 6.022 5.227 -1.405 1.00 10.05 H new ATOM 0 HA ASP A 79 6.391 2.266 -1.728 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.209 4.131 -3.414 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.481 4.383 -2.235 1.00 12.21 H new ATOM 1232 N ARG A 80 8.134 4.306 0.206 1.00 17.08 N ATOM 1233 CA ARG A 80 8.846 4.387 1.508 1.00 17.14 C ATOM 1234 C ARG A 80 8.609 5.771 2.097 1.00 14.98 C ATOM 1235 O ARG A 80 9.525 6.509 2.396 1.00 16.47 O ATOM 1236 CB ARG A 80 10.344 4.136 1.318 1.00 17.78 C ATOM 1237 CG ARG A 80 10.912 3.457 2.566 1.00 22.76 C ATOM 1238 CD ARG A 80 11.589 4.502 3.455 1.00 28.43 C ATOM 1239 NE ARG A 80 12.873 4.929 2.831 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.478 6.008 3.249 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.963 6.718 4.217 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.602 6.378 2.698 1.00 35.04 N ATOM 0 H ARG A 80 8.154 5.161 -0.350 1.00 17.08 H new ATOM 0 HA ARG A 80 8.466 3.623 2.186 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.510 3.508 0.443 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.861 5.078 1.137 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.114 2.959 3.116 1.00 22.76 H new ATOM 0 HG3 ARG A 80 11.630 2.688 2.279 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.933 5.362 3.587 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.774 4.087 4.446 1.00 28.43 H new ATOM 0 HE ARG A 80 13.280 4.377 2.076 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.085 6.430 4.649 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.439 7.560 4.541 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.006 5.825 1.942 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.076 7.221 3.023 1.00 35.04 H new ATOM 1256 N LEU A 81 7.355 6.084 2.254 1.00 11.03 N ATOM 1257 CA LEU A 81 6.889 7.391 2.817 1.00 11.27 C ATOM 1258 C LEU A 81 8.041 8.356 3.112 1.00 15.61 C ATOM 1259 O LEU A 81 8.872 8.106 3.962 1.00 18.56 O ATOM 1260 CB LEU A 81 6.130 7.119 4.113 1.00 13.62 C ATOM 1261 CG LEU A 81 5.650 8.442 4.693 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.233 8.276 5.247 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.592 8.877 5.817 1.00 18.72 C ATOM 0 H LEU A 81 6.592 5.456 2.003 1.00 11.03 H new ATOM 0 HA LEU A 81 6.253 7.864 2.069 1.00 11.27 H new ATOM 0 HB2 LEU A 81 5.282 6.462 3.922 1.00 13.62 H new ATOM 0 HB3 LEU A 81 6.775 6.607 4.827 1.00 13.62 H new ATOM 0 HG LEU A 81 5.644 9.200 3.910 1.00 12.84 H new ATOM 0 HD11 LEU A 81 3.891 9.224 5.662 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.562 7.968 4.445 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.235 7.517 6.030 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.249 9.824 6.233 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.599 8.118 6.600 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.600 8.999 5.420 1.00 18.72 H new ATOM 1275 N ARG A 82 8.076 9.478 2.437 1.00 13.37 N ATOM 1276 CA ARG A 82 9.151 10.472 2.708 1.00 12.72 C ATOM 1277 C ARG A 82 8.576 11.557 3.624 1.00 13.33 C ATOM 1278 O ARG A 82 7.920 12.473 3.178 1.00 13.27 O ATOM 1279 CB ARG A 82 9.618 11.096 1.390 1.00 13.85 C ATOM 1280 CG ARG A 82 10.483 12.325 1.681 1.00 16.22 C ATOM 1281 CD ARG A 82 11.895 12.094 1.140 1.00 16.62 C ATOM 1282 NE ARG A 82 12.708 11.378 2.163 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.837 10.814 1.827 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.260 10.874 0.593 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.545 10.189 2.727 1.00 16.89 N ATOM 0 H ARG A 82 7.408 9.745 1.714 1.00 13.37 H new ATOM 0 HA ARG A 82 10.003 9.990 3.187 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.187 10.367 0.812 1.00 13.85 H new ATOM 0 HB3 ARG A 82 8.757 11.380 0.785 1.00 13.85 H new ATOM 0 HG2 ARG A 82 10.045 13.209 1.218 1.00 16.22 H new ATOM 0 HG3 ARG A 82 10.519 12.512 2.754 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.853 11.511 0.220 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.361 13.047 0.892 1.00 16.62 H new ATOM 0 HE ARG A 82 12.382 11.328 3.128 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.708 11.363 -0.112 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.142 10.432 0.334 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.217 10.141 3.691 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.427 9.748 2.466 1.00 16.89 H new ATOM 1299 N LEU A 83 8.791 11.447 4.905 1.00 13.53 N ATOM 1300 CA LEU A 83 8.225 12.461 5.843 1.00 13.86 C ATOM 1301 C LEU A 83 9.046 13.747 5.821 1.00 13.02 C ATOM 1302 O LEU A 83 10.237 13.743 5.581 1.00 14.40 O ATOM 1303 CB LEU A 83 8.233 11.914 7.267 1.00 9.93 C ATOM 1304 CG LEU A 83 6.810 11.885 7.812 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.845 11.509 9.295 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.189 13.273 7.651 1.00 10.58 C ATOM 0 H LEU A 83 9.332 10.702 5.344 1.00 13.53 H new ATOM 0 HA LEU A 83 7.206 12.676 5.522 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.658 10.910 7.279 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.864 12.535 7.902 1.00 9.93 H new ATOM 0 HG LEU A 83 6.217 11.151 7.267 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.829 11.487 9.689 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.300 10.525 9.410 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.431 12.246 9.844 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.170 13.263 8.038 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.780 14.003 8.204 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.173 13.544 6.595 1.00 10.58 H new ATOM 1318 N VAL A 84 8.402 14.848 6.087 1.00 11.81 N ATOM 1319 CA VAL A 84 9.098 16.152 6.111 1.00 12.86 C ATOM 1320 C VAL A 84 8.361 17.067 7.094 1.00 14.98 C ATOM 1321 O VAL A 84 7.188 16.879 7.335 1.00 13.59 O ATOM 1322 CB VAL A 84 9.046 16.756 4.711 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.696 15.796 3.713 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.587 16.997 4.313 1.00 17.34 C ATOM 0 H VAL A 84 7.404 14.894 6.292 1.00 11.81 H new ATOM 0 HA VAL A 84 10.137 16.035 6.419 1.00 12.86 H new ATOM 0 HB VAL A 84 9.586 17.703 4.705 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.658 16.229 2.714 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.735 15.626 3.995 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.159 14.847 3.718 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.549 17.429 3.313 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.047 16.050 4.320 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.125 17.684 5.022 1.00 17.34 H new ATOM 1334 N PRO A 85 9.054 18.040 7.617 1.00 18.65 N ATOM 1335 CA PRO A 85 8.460 19.005 8.557 1.00 22.41 C ATOM 1336 C PRO A 85 7.360 19.820 7.856 1.00 25.70 C ATOM 1337 O PRO A 85 7.474 20.162 6.695 1.00 22.08 O ATOM 1338 CB PRO A 85 9.645 19.866 8.997 1.00 21.19 C ATOM 1339 CG PRO A 85 10.723 19.678 7.918 1.00 18.95 C ATOM 1340 CD PRO A 85 10.471 18.285 7.317 1.00 20.63 C ATOM 0 HA PRO A 85 7.969 18.541 9.412 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.356 20.914 9.083 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.012 19.555 9.975 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.652 20.453 7.154 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.723 19.744 8.347 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.664 18.269 6.244 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.114 17.530 7.768 1.00 20.63 H new ATOM 1348 N ALA A 86 6.288 20.113 8.547 1.00 31.74 N ATOM 1349 CA ALA A 86 5.170 20.881 7.920 1.00 39.94 C ATOM 1350 C ALA A 86 5.605 22.331 7.697 1.00 46.96 C ATOM 1351 O ALA A 86 5.903 23.050 8.629 1.00 49.29 O ATOM 1352 CB ALA A 86 3.951 20.849 8.849 1.00 39.70 C ATOM 0 H ALA A 86 6.138 19.852 9.522 1.00 31.74 H new ATOM 0 HA ALA A 86 4.911 20.431 6.961 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.133 21.408 8.395 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.641 19.816 9.007 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.211 21.300 9.807 1.00 39.70 H new ATOM 1358 N LYS A 87 5.644 22.767 6.467 1.00 51.78 N ATOM 1359 CA LYS A 87 6.060 24.170 6.187 1.00 55.12 C ATOM 1360 C LYS A 87 4.838 24.991 5.766 1.00 55.82 C ATOM 1361 O LYS A 87 4.699 25.246 4.582 1.00 58.05 O ATOM 1362 CB LYS A 87 7.095 24.180 5.059 1.00 52.96 C ATOM 1363 CG LYS A 87 8.351 24.921 5.525 1.00 55.49 C ATOM 1364 CD LYS A 87 8.846 24.312 6.838 1.00 56.64 C ATOM 1365 CE LYS A 87 10.192 23.623 6.607 1.00 58.91 C ATOM 1366 NZ LYS A 87 11.055 23.802 7.808 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.062 25.349 6.637 1.00 57.66 O ATOM 0 H LYS A 87 5.406 22.212 5.645 1.00 51.78 H new ATOM 0 HA LYS A 87 6.498 24.605 7.086 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.347 23.159 4.773 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.681 24.665 4.175 1.00 52.96 H new ATOM 0 HG2 LYS A 87 9.129 24.853 4.765 1.00 55.49 H new ATOM 0 HG3 LYS A 87 8.131 25.980 5.663 1.00 55.49 H new ATOM 0 HD2 LYS A 87 8.949 25.089 7.595 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.118 23.594 7.215 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.040 22.562 6.410 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.682 24.043 5.728 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 11.970 23.334 7.651 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.210 24.817 7.976 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 10.588 23.381 8.637 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.826 18.874 -4.353 1.00 42.32 N ATOM 1383 CA MET B 1 1.953 17.785 -3.829 1.00 40.89 C ATOM 1384 C MET B 1 1.793 16.704 -4.897 1.00 34.75 C ATOM 1385 O MET B 1 2.212 16.868 -6.026 1.00 33.97 O ATOM 1386 CB MET B 1 0.574 18.359 -3.476 1.00 48.45 C ATOM 1387 CG MET B 1 -0.218 18.644 -4.759 1.00 56.13 C ATOM 1388 SD MET B 1 -0.848 20.340 -4.713 1.00 64.91 S ATOM 1389 CE MET B 1 0.345 21.058 -5.869 1.00 63.43 C ATOM 0 H1 MET B 1 3.705 18.911 -3.798 1.00 42.32 H new ATOM 0 H2 MET B 1 3.054 18.687 -5.350 1.00 42.32 H new ATOM 0 H3 MET B 1 2.329 19.784 -4.276 1.00 42.32 H new ATOM 0 HA MET B 1 2.407 17.353 -2.937 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.027 17.654 -2.850 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.689 19.276 -2.898 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.420 18.505 -5.632 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.045 17.940 -4.853 1.00 56.13 H new ATOM 0 HE1 MET B 1 0.883 21.870 -5.379 1.00 63.43 H new ATOM 0 HE2 MET B 1 1.053 20.292 -6.184 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.181 21.446 -6.741 1.00 63.43 H new ATOM 1401 N ILE B 2 1.174 15.607 -4.557 1.00 28.59 N ATOM 1402 CA ILE B 2 0.972 14.531 -5.566 1.00 24.58 C ATOM 1403 C ILE B 2 0.108 15.104 -6.687 1.00 19.29 C ATOM 1404 O ILE B 2 -1.097 14.956 -6.700 1.00 19.53 O ATOM 1405 CB ILE B 2 0.269 13.340 -4.913 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.932 13.021 -3.576 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.379 12.117 -5.819 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.150 12.738 -2.540 1.00 33.80 C ATOM 0 H ILE B 2 0.801 15.410 -3.628 1.00 28.59 H new ATOM 0 HA ILE B 2 1.927 14.188 -5.964 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.780 13.592 -4.756 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.590 12.158 -3.679 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.552 13.858 -3.254 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.123 11.271 -5.350 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.091 12.332 -6.779 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.430 11.874 -5.976 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.315 12.509 -1.581 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -0.789 13.614 -2.433 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.751 11.888 -2.864 1.00 33.80 H new ATOM 1420 N LYS B 3 0.721 15.793 -7.608 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.050 16.425 -8.713 1.00 16.66 C ATOM 1422 C LYS B 3 -0.481 15.388 -9.745 1.00 14.94 C ATOM 1423 O LYS B 3 0.093 14.325 -9.866 1.00 13.94 O ATOM 1424 CB LYS B 3 0.816 17.487 -9.393 1.00 16.94 C ATOM 1425 CG LYS B 3 0.852 18.748 -8.528 1.00 17.85 C ATOM 1426 CD LYS B 3 2.176 19.483 -8.751 1.00 19.63 C ATOM 1427 CE LYS B 3 1.918 20.777 -9.526 1.00 26.28 C ATOM 1428 NZ LYS B 3 3.092 21.684 -9.381 1.00 32.72 N ATOM 0 H LYS B 3 1.729 15.946 -7.643 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.944 16.883 -8.290 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.827 17.106 -9.542 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.415 17.721 -10.379 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.015 19.399 -8.781 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.743 18.483 -7.476 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.645 19.708 -7.793 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.868 18.848 -9.304 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.744 20.555 -10.579 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.019 21.265 -9.151 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.918 22.564 -9.907 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.238 21.905 -8.375 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 3.941 21.217 -9.759 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.500 15.712 -10.491 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.006 14.783 -11.533 1.00 12.99 C ATOM 1444 C VAL B 4 -2.916 15.574 -12.483 1.00 14.26 C ATOM 1445 O VAL B 4 -3.268 16.704 -12.221 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.773 13.618 -10.860 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.286 14.045 -9.485 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.961 13.172 -11.729 1.00 10.41 C ATOM 0 H VAL B 4 -2.009 16.593 -10.420 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.182 14.354 -12.104 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.082 12.782 -10.747 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.823 13.216 -9.024 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.443 14.328 -8.854 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.958 14.896 -9.596 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.485 12.353 -11.236 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.645 14.009 -11.867 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.596 12.837 -12.700 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.284 14.992 -13.589 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.158 15.707 -14.560 1.00 10.51 C ATOM 1460 C GLU B 5 -5.109 14.715 -15.211 1.00 10.00 C ATOM 1461 O GLU B 5 -4.708 13.855 -15.967 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.293 16.362 -15.635 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.793 17.708 -15.121 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.885 18.355 -16.169 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.985 17.977 -17.325 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -1.106 19.217 -15.798 1.00 22.12 O ATOM 0 H GLU B 5 -3.016 14.047 -13.864 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.732 16.472 -14.038 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.450 15.718 -15.884 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.870 16.499 -16.550 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.638 18.362 -14.904 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.247 17.572 -14.187 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.370 14.832 -14.934 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.336 13.891 -15.564 1.00 10.60 C ATOM 1475 C ILE B 6 -7.468 14.277 -17.046 1.00 10.16 C ATOM 1476 O ILE B 6 -8.131 15.235 -17.392 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.692 13.954 -14.826 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.723 12.861 -13.754 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.849 13.719 -15.794 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.492 13.479 -12.375 1.00 13.81 C ATOM 0 H ILE B 6 -6.775 15.528 -14.307 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.986 12.861 -15.494 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.800 14.942 -14.378 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.683 12.346 -13.775 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.956 12.115 -13.961 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.793 13.768 -15.251 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.836 14.485 -16.569 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.745 12.736 -16.253 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.515 12.696 -11.617 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.521 13.974 -12.356 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.275 14.208 -12.167 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.821 13.543 -17.920 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.881 13.867 -19.371 1.00 11.59 C ATOM 1494 C LYS B 7 -8.328 14.154 -19.779 1.00 12.98 C ATOM 1495 O LYS B 7 -9.241 13.941 -19.007 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.344 12.673 -20.165 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.911 12.956 -20.634 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.105 13.615 -19.512 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.801 15.063 -19.883 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.557 15.980 -18.983 1.00 25.43 N ATOM 0 H LYS B 7 -6.252 12.730 -17.684 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.277 14.750 -19.578 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.362 11.776 -19.546 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.985 12.480 -21.025 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.430 12.026 -20.938 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.929 13.607 -21.508 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.666 13.578 -18.578 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.176 13.068 -19.348 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.731 15.254 -19.798 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -4.076 15.248 -20.921 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -5.330 16.429 -19.515 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.953 15.438 -18.188 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.917 16.713 -18.617 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.492 14.626 -20.990 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.820 14.948 -21.536 1.00 11.93 C ATOM 1516 C PRO B 8 -10.551 13.658 -21.893 1.00 10.20 C ATOM 1517 O PRO B 8 -11.764 13.590 -21.881 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.509 15.785 -22.780 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.058 15.437 -23.186 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.375 14.875 -21.926 1.00 13.61 C ATOM 0 HA PRO B 8 -10.466 15.482 -20.839 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.204 15.555 -23.587 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.609 16.849 -22.567 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.046 14.705 -23.993 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.534 16.321 -23.550 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.827 13.959 -22.145 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.658 15.584 -21.511 1.00 13.61 H new ATOM 1528 N SER B 9 -9.815 12.629 -22.191 1.00 10.65 N ATOM 1529 CA SER B 9 -10.452 11.328 -22.528 1.00 10.83 C ATOM 1530 C SER B 9 -10.675 10.533 -21.238 1.00 10.94 C ATOM 1531 O SER B 9 -11.184 9.430 -21.257 1.00 13.16 O ATOM 1532 CB SER B 9 -9.538 10.538 -23.468 1.00 13.01 C ATOM 1533 OG SER B 9 -8.662 9.726 -22.697 1.00 15.52 O ATOM 0 H SER B 9 -8.795 12.632 -22.216 1.00 10.65 H new ATOM 0 HA SER B 9 -11.408 11.502 -23.022 1.00 10.83 H new ATOM 0 HB2 SER B 9 -10.134 9.917 -24.137 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.963 11.221 -24.094 1.00 13.01 H new ATOM 0 HG SER B 9 -8.076 9.217 -23.295 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.298 11.088 -20.116 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.488 10.370 -18.825 1.00 11.55 C ATOM 1541 C GLN B 10 -11.380 11.204 -17.903 1.00 13.72 C ATOM 1542 O GLN B 10 -11.210 11.208 -16.701 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.135 10.159 -18.152 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.099 9.788 -19.207 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.321 8.343 -19.657 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.311 7.731 -19.307 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.436 7.766 -20.423 1.00 4.80 N ATOM 0 H GLN B 10 -9.866 12.009 -20.040 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.956 9.405 -19.017 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.830 11.066 -17.630 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.207 9.370 -17.404 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.177 10.462 -20.060 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -7.094 9.903 -18.801 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.605 8.279 -20.717 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.576 6.803 -20.727 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.323 11.920 -18.454 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.212 12.760 -17.601 1.00 18.95 C ATOM 1558 C ALA B 11 -14.514 12.013 -17.311 1.00 20.75 C ATOM 1559 O ALA B 11 -15.462 12.576 -16.800 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.526 14.069 -18.327 1.00 17.72 C ATOM 0 H ALA B 11 -12.516 11.960 -19.455 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.706 12.975 -16.660 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.176 14.684 -17.704 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.599 14.607 -18.525 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -14.027 13.851 -19.270 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.572 10.752 -17.631 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.816 9.977 -17.372 1.00 25.43 C ATOM 1568 C GLN B 12 -15.463 8.588 -16.843 1.00 22.80 C ATOM 1569 O GLN B 12 -14.480 7.993 -17.237 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.604 9.836 -18.671 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.475 11.073 -18.860 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.217 10.981 -20.194 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -19.397 11.259 -20.267 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.570 10.598 -21.261 1.00 47.90 N ATOM 0 H GLN B 12 -13.812 10.224 -18.061 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.417 10.502 -16.630 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.923 9.723 -19.514 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -17.224 8.940 -18.640 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -18.189 11.156 -18.041 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.858 11.971 -18.837 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.579 10.364 -21.200 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.055 10.532 -22.156 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.263 8.065 -15.956 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.982 6.716 -15.406 1.00 20.51 C ATOM 1585 C PHE B 13 -16.754 5.676 -16.211 1.00 18.83 C ATOM 1586 O PHE B 13 -17.711 5.989 -16.892 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.453 6.661 -13.958 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.914 7.041 -13.922 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.894 6.088 -14.220 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.287 8.353 -13.605 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.246 6.448 -14.200 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.637 8.712 -13.586 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.615 7.762 -13.883 1.00 18.48 C ATOM 0 H PHE B 13 -17.101 8.517 -15.589 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.913 6.513 -15.461 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.310 5.660 -13.550 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.868 7.343 -13.342 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.607 5.076 -14.465 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.530 9.088 -13.375 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -21.004 5.714 -14.429 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.924 9.724 -13.342 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.658 8.040 -13.868 1.00 18.48 H new ATOM 1603 N THR B 14 -16.362 4.440 -16.127 1.00 14.89 N ATOM 1604 CA THR B 14 -17.091 3.382 -16.873 1.00 13.37 C ATOM 1605 C THR B 14 -17.443 2.254 -15.908 1.00 11.97 C ATOM 1606 O THR B 14 -16.889 2.150 -14.831 1.00 10.76 O ATOM 1607 CB THR B 14 -16.213 2.838 -18.000 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.922 1.826 -18.702 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.931 2.250 -17.412 1.00 9.24 C ATOM 0 H THR B 14 -15.568 4.116 -15.574 1.00 14.89 H new ATOM 0 HA THR B 14 -18.000 3.799 -17.306 1.00 13.37 H new ATOM 0 HB THR B 14 -15.957 3.646 -18.685 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.362 1.477 -19.426 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.306 1.863 -18.217 1.00 9.24 H new ATOM 0 HG22 THR B 14 -14.388 3.027 -16.873 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.183 1.441 -16.726 1.00 9.24 H new ATOM 1617 N THR B 15 -18.360 1.410 -16.278 1.00 13.20 N ATOM 1618 CA THR B 15 -18.743 0.296 -15.372 1.00 12.54 C ATOM 1619 C THR B 15 -17.997 -0.973 -15.781 1.00 14.34 C ATOM 1620 O THR B 15 -18.251 -1.549 -16.820 1.00 17.35 O ATOM 1621 CB THR B 15 -20.249 0.054 -15.466 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.882 1.212 -15.994 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.801 -0.243 -14.073 1.00 8.30 C ATOM 0 H THR B 15 -18.860 1.442 -17.166 1.00 13.20 H new ATOM 0 HA THR B 15 -18.481 0.557 -14.347 1.00 12.54 H new ATOM 0 HB THR B 15 -20.444 -0.794 -16.122 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.848 1.057 -16.056 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.875 -0.416 -14.137 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.314 -1.131 -13.670 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.609 0.606 -13.417 1.00 8.30 H new ATOM 1631 N ARG B 16 -17.080 -1.417 -14.968 1.00 15.28 N ATOM 1632 CA ARG B 16 -16.321 -2.652 -15.305 1.00 15.21 C ATOM 1633 C ARG B 16 -16.608 -3.719 -14.249 1.00 16.91 C ATOM 1634 O ARG B 16 -16.656 -3.439 -13.068 1.00 17.29 O ATOM 1635 CB ARG B 16 -14.821 -2.345 -15.332 1.00 15.77 C ATOM 1636 CG ARG B 16 -14.349 -2.211 -16.783 1.00 21.61 C ATOM 1637 CD ARG B 16 -14.747 -3.461 -17.572 1.00 24.15 C ATOM 1638 NE ARG B 16 -13.562 -3.981 -18.310 1.00 30.82 N ATOM 1639 CZ ARG B 16 -13.584 -5.182 -18.825 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -14.649 -5.928 -18.706 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -12.540 -5.635 -19.464 1.00 25.71 N ATOM 0 H ARG B 16 -16.823 -0.977 -14.084 1.00 15.28 H new ATOM 0 HA ARG B 16 -16.628 -3.014 -16.286 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -14.619 -1.423 -14.787 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -14.268 -3.140 -14.831 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -14.791 -1.325 -17.239 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -13.267 -2.079 -16.813 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -15.131 -4.224 -16.895 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -15.548 -3.223 -18.271 1.00 24.15 H new ATOM 0 HE ARG B 16 -12.731 -3.398 -18.414 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -15.467 -5.574 -18.210 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -14.663 -6.865 -19.109 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -11.709 -5.052 -19.561 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -12.555 -6.572 -19.867 1.00 25.71 H new ATOM 1655 N SER B 17 -16.807 -4.938 -14.664 1.00 22.35 N ATOM 1656 CA SER B 17 -17.101 -6.020 -13.683 1.00 28.62 C ATOM 1657 C SER B 17 -16.058 -6.003 -12.563 1.00 31.32 C ATOM 1658 O SER B 17 -15.031 -6.647 -12.644 1.00 33.90 O ATOM 1659 CB SER B 17 -17.065 -7.376 -14.391 1.00 30.78 C ATOM 1660 OG SER B 17 -17.159 -8.413 -13.423 1.00 38.77 O ATOM 0 H SER B 17 -16.779 -5.233 -15.640 1.00 22.35 H new ATOM 0 HA SER B 17 -18.091 -5.857 -13.256 1.00 28.62 H new ATOM 0 HB2 SER B 17 -17.888 -7.450 -15.102 1.00 30.78 H new ATOM 0 HB3 SER B 17 -16.142 -7.477 -14.961 1.00 30.78 H new ATOM 0 HG SER B 17 -17.138 -9.283 -13.873 1.00 38.77 H new ATOM 1666 N GLY B 18 -16.324 -5.276 -11.514 1.00 32.28 N ATOM 1667 CA GLY B 18 -15.366 -5.216 -10.375 1.00 32.82 C ATOM 1668 C GLY B 18 -15.628 -6.389 -9.430 1.00 34.58 C ATOM 1669 O GLY B 18 -16.680 -6.996 -9.459 1.00 34.04 O ATOM 0 H GLY B 18 -17.169 -4.717 -11.396 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -14.341 -5.254 -10.745 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -15.477 -4.272 -9.841 1.00 32.82 H new ATOM 1673 N VAL B 19 -14.685 -6.713 -8.589 1.00 36.31 N ATOM 1674 CA VAL B 19 -14.892 -7.846 -7.644 1.00 38.94 C ATOM 1675 C VAL B 19 -14.468 -7.419 -6.241 1.00 39.44 C ATOM 1676 O VAL B 19 -13.353 -6.989 -6.021 1.00 39.08 O ATOM 1677 CB VAL B 19 -14.055 -9.047 -8.086 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -14.673 -10.333 -7.533 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -14.020 -9.111 -9.615 1.00 39.95 C ATOM 0 H VAL B 19 -13.782 -6.244 -8.515 1.00 36.31 H new ATOM 0 HA VAL B 19 -15.946 -8.125 -7.639 1.00 38.94 H new ATOM 0 HB VAL B 19 -13.039 -8.941 -7.705 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -14.076 -11.189 -7.848 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -14.695 -10.287 -6.444 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -15.689 -10.440 -7.912 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -13.423 -9.967 -9.930 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -15.035 -9.216 -9.998 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -13.577 -8.196 -10.007 1.00 39.95 H new ATOM 1689 N SER B 20 -15.353 -7.525 -5.290 1.00 41.09 N ATOM 1690 CA SER B 20 -15.007 -7.118 -3.902 1.00 44.70 C ATOM 1691 C SER B 20 -13.902 -8.028 -3.358 1.00 47.21 C ATOM 1692 O SER B 20 -14.167 -9.046 -2.751 1.00 47.07 O ATOM 1693 CB SER B 20 -16.246 -7.236 -3.014 1.00 44.37 C ATOM 1694 OG SER B 20 -16.625 -5.944 -2.561 1.00 46.57 O ATOM 0 H SER B 20 -16.302 -7.877 -5.415 1.00 41.09 H new ATOM 0 HA SER B 20 -14.656 -6.086 -3.905 1.00 44.70 H new ATOM 0 HB2 SER B 20 -17.064 -7.693 -3.571 1.00 44.37 H new ATOM 0 HB3 SER B 20 -16.037 -7.885 -2.164 1.00 44.37 H new ATOM 0 HG SER B 20 -17.420 -6.017 -1.993 1.00 46.57 H new ATOM 1700 N ARG B 21 -12.665 -7.667 -3.567 1.00 50.78 N ATOM 1701 CA ARG B 21 -11.543 -8.516 -3.054 1.00 55.55 C ATOM 1702 C ARG B 21 -11.844 -9.991 -3.331 1.00 55.58 C ATOM 1703 O ARG B 21 -11.815 -10.817 -2.441 1.00 54.47 O ATOM 1704 CB ARG B 21 -11.396 -8.306 -1.549 1.00 59.49 C ATOM 1705 CG ARG B 21 -10.724 -6.958 -1.282 1.00 60.53 C ATOM 1706 CD ARG B 21 -11.723 -6.013 -0.612 1.00 64.36 C ATOM 1707 NE ARG B 21 -11.247 -4.608 -0.752 1.00 68.68 N ATOM 1708 CZ ARG B 21 -12.064 -3.613 -0.528 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -13.301 -3.845 -0.180 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -11.642 -2.384 -0.652 1.00 71.56 N ATOM 0 H ARG B 21 -12.380 -6.825 -4.068 1.00 50.78 H new ATOM 0 HA ARG B 21 -10.618 -8.234 -3.557 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -12.375 -8.337 -1.070 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -10.803 -9.111 -1.115 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -9.852 -7.095 -0.643 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -10.369 -6.525 -2.217 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -12.706 -6.122 -1.069 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -11.831 -6.268 0.442 1.00 64.36 H new ATOM 0 HE ARG B 21 -10.281 -4.422 -1.023 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -13.632 -4.805 -0.082 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -13.936 -3.066 -0.006 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -10.676 -2.201 -0.923 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -12.278 -1.606 -0.478 1.00 71.56 H new ATOM 1724 N GLN B 22 -12.128 -10.329 -4.559 1.00 57.32 N ATOM 1725 CA GLN B 22 -12.426 -11.751 -4.892 1.00 58.73 C ATOM 1726 C GLN B 22 -13.490 -12.294 -3.934 1.00 58.18 C ATOM 1727 O GLN B 22 -13.629 -13.489 -3.761 1.00 59.52 O ATOM 1728 CB GLN B 22 -11.149 -12.584 -4.759 1.00 62.32 C ATOM 1729 CG GLN B 22 -10.614 -12.922 -6.152 1.00 65.12 C ATOM 1730 CD GLN B 22 -10.775 -14.422 -6.411 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -9.806 -15.154 -6.431 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -11.968 -14.912 -6.612 1.00 65.96 N ATOM 0 H GLN B 22 -12.167 -9.682 -5.346 1.00 57.32 H new ATOM 0 HA GLN B 22 -12.797 -11.811 -5.915 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -10.399 -12.031 -4.194 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -11.355 -13.500 -4.205 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -11.153 -12.352 -6.908 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -9.564 -12.640 -6.228 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -12.781 -14.297 -6.595 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -12.087 -15.910 -6.786 1.00 65.96 H new ATOM 1741 N GLY B 23 -14.244 -11.429 -3.313 1.00 55.49 N ATOM 1742 CA GLY B 23 -15.298 -11.900 -2.372 1.00 50.89 C ATOM 1743 C GLY B 23 -16.652 -11.877 -3.080 1.00 48.17 C ATOM 1744 O GLY B 23 -17.466 -12.764 -2.918 1.00 50.32 O ATOM 0 H GLY B 23 -14.175 -10.417 -3.417 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -15.071 -12.909 -2.029 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -15.325 -11.262 -1.489 1.00 50.89 H new ATOM 1748 N LYS B 24 -16.898 -10.866 -3.867 1.00 44.99 N ATOM 1749 CA LYS B 24 -18.195 -10.780 -4.593 1.00 42.22 C ATOM 1750 C LYS B 24 -18.019 -9.900 -5.834 1.00 42.41 C ATOM 1751 O LYS B 24 -17.218 -8.986 -5.831 1.00 42.26 O ATOM 1752 CB LYS B 24 -19.254 -10.164 -3.675 1.00 40.33 C ATOM 1753 CG LYS B 24 -19.801 -11.236 -2.731 1.00 40.86 C ATOM 1754 CD LYS B 24 -21.289 -10.985 -2.481 1.00 37.00 C ATOM 1755 CE LYS B 24 -21.671 -11.507 -1.095 1.00 36.58 C ATOM 1756 NZ LYS B 24 -21.855 -12.985 -1.154 1.00 34.22 N ATOM 0 H LYS B 24 -16.254 -10.094 -4.039 1.00 44.99 H new ATOM 0 HA LYS B 24 -18.514 -11.778 -4.894 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -18.820 -9.346 -3.100 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -20.064 -9.741 -4.270 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -19.656 -12.226 -3.164 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -19.255 -11.218 -1.788 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -21.505 -9.919 -2.552 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -21.886 -11.483 -3.245 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -20.894 -11.255 -0.373 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -22.590 -11.029 -0.755 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -22.115 -13.340 -0.212 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -22.611 -13.214 -1.831 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -20.968 -13.433 -1.461 1.00 34.22 H new ATOM 1770 N PRO B 25 -18.773 -10.201 -6.859 1.00 42.36 N ATOM 1771 CA PRO B 25 -18.722 -9.453 -8.125 1.00 40.32 C ATOM 1772 C PRO B 25 -19.474 -8.125 -7.995 1.00 36.91 C ATOM 1773 O PRO B 25 -20.594 -8.080 -7.526 1.00 36.63 O ATOM 1774 CB PRO B 25 -19.412 -10.380 -9.123 1.00 42.73 C ATOM 1775 CG PRO B 25 -20.300 -11.327 -8.289 1.00 43.71 C ATOM 1776 CD PRO B 25 -19.744 -11.311 -6.854 1.00 44.10 C ATOM 0 HA PRO B 25 -17.707 -9.195 -8.428 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -20.011 -9.810 -9.834 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -18.680 -10.943 -9.702 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -21.339 -10.996 -8.305 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -20.281 -12.336 -8.700 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -20.534 -11.146 -6.122 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -19.267 -12.258 -6.600 1.00 44.10 H new ATOM 1784 N TYR B 26 -18.869 -7.044 -8.408 1.00 32.09 N ATOM 1785 CA TYR B 26 -19.555 -5.726 -8.307 1.00 27.86 C ATOM 1786 C TYR B 26 -19.174 -4.856 -9.505 1.00 26.29 C ATOM 1787 O TYR B 26 -18.040 -4.833 -9.927 1.00 28.07 O ATOM 1788 CB TYR B 26 -19.148 -5.028 -7.001 1.00 23.99 C ATOM 1789 CG TYR B 26 -17.711 -4.543 -7.068 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -17.368 -3.464 -7.891 1.00 24.63 C ATOM 1791 CD2 TYR B 26 -16.730 -5.162 -6.283 1.00 24.19 C ATOM 1792 CE1 TYR B 26 -16.046 -3.006 -7.931 1.00 24.84 C ATOM 1793 CE2 TYR B 26 -15.407 -4.704 -6.325 1.00 24.77 C ATOM 1794 CZ TYR B 26 -15.065 -3.627 -7.148 1.00 24.25 C ATOM 1795 OH TYR B 26 -13.762 -3.175 -7.188 1.00 29.25 O ATOM 0 H TYR B 26 -17.932 -7.017 -8.810 1.00 32.09 H new ATOM 0 HA TYR B 26 -20.634 -5.879 -8.306 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -19.812 -4.184 -6.813 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -19.264 -5.717 -6.165 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -18.124 -2.985 -8.495 1.00 24.63 H new ATOM 0 HD2 TYR B 26 -16.994 -5.993 -5.645 1.00 24.19 H new ATOM 0 HE1 TYR B 26 -15.782 -2.173 -8.566 1.00 24.84 H new ATOM 0 HE2 TYR B 26 -14.651 -5.183 -5.721 1.00 24.77 H new ATOM 0 HH TYR B 26 -13.210 -3.715 -6.585 1.00 29.25 H new ATOM 1805 N SER B 27 -20.115 -4.139 -10.054 1.00 24.52 N ATOM 1806 CA SER B 27 -19.801 -3.268 -11.222 1.00 22.20 C ATOM 1807 C SER B 27 -19.683 -1.819 -10.741 1.00 20.52 C ATOM 1808 O SER B 27 -20.607 -1.039 -10.858 1.00 23.07 O ATOM 1809 CB SER B 27 -20.927 -3.372 -12.254 1.00 25.30 C ATOM 1810 OG SER B 27 -22.176 -3.439 -11.579 1.00 29.25 O ATOM 0 H SER B 27 -21.087 -4.118 -9.745 1.00 24.52 H new ATOM 0 HA SER B 27 -18.864 -3.585 -11.679 1.00 22.20 H new ATOM 0 HB2 SER B 27 -20.906 -2.510 -12.920 1.00 25.30 H new ATOM 0 HB3 SER B 27 -20.787 -4.258 -12.874 1.00 25.30 H new ATOM 0 HG SER B 27 -22.280 -2.652 -11.005 1.00 29.25 H new ATOM 1816 N LEU B 28 -18.559 -1.457 -10.185 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.392 -0.064 -9.681 1.00 16.31 C ATOM 1818 C LEU B 28 -17.797 0.828 -10.776 1.00 14.21 C ATOM 1819 O LEU B 28 -16.960 0.408 -11.550 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.464 -0.079 -8.466 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.999 0.882 -7.403 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.908 0.221 -6.025 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.165 2.166 -7.410 1.00 22.01 C ATOM 0 H LEU B 28 -17.750 -2.065 -10.058 1.00 18.57 H new ATOM 0 HA LEU B 28 -19.366 0.335 -9.397 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.397 -1.088 -8.059 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.456 0.213 -8.761 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.039 1.123 -7.622 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.289 0.906 -5.267 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.502 -0.693 -6.020 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.868 -0.021 -5.805 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.546 2.851 -6.653 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.125 1.925 -7.191 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.230 2.637 -8.391 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.228 2.061 -10.841 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.698 2.995 -11.879 1.00 9.77 C ATOM 1837 C ASN B 29 -16.208 3.249 -11.634 1.00 7.94 C ATOM 1838 O ASN B 29 -15.787 3.511 -10.525 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.455 4.322 -11.796 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.854 4.152 -12.390 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.071 3.302 -13.230 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.820 4.930 -11.985 1.00 12.89 N ATOM 0 H ASN B 29 -18.927 2.463 -10.217 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.832 2.552 -12.866 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.527 4.647 -10.758 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.911 5.097 -12.336 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.757 4.824 -12.374 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.638 5.644 -11.280 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.407 3.179 -12.663 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.945 3.423 -12.493 1.00 13.16 C ATOM 1851 C GLU B 30 -13.506 4.541 -13.442 1.00 12.26 C ATOM 1852 O GLU B 30 -13.973 4.638 -14.560 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.173 2.144 -12.822 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.737 1.462 -11.523 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.386 0.778 -11.734 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.323 -0.130 -12.547 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -10.436 1.172 -11.078 1.00 40.03 O ATOM 0 H GLU B 30 -15.702 2.963 -13.615 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.740 3.715 -11.463 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.798 1.470 -13.407 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.301 2.380 -13.432 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.663 2.197 -10.721 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.483 0.729 -11.216 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.612 5.388 -13.008 1.00 10.34 N ATOM 1865 CA GLN B 31 -12.146 6.497 -13.889 1.00 9.46 C ATOM 1866 C GLN B 31 -10.623 6.431 -14.026 1.00 10.09 C ATOM 1867 O GLN B 31 -9.978 5.559 -13.478 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.550 7.842 -13.272 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.863 8.855 -14.377 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.997 10.100 -14.177 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.917 10.020 -13.627 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.427 11.256 -14.601 1.00 12.39 N ATOM 0 H GLN B 31 -12.185 5.360 -12.082 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.603 6.399 -14.874 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.422 7.710 -12.631 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.745 8.218 -12.641 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.669 8.416 -15.355 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.919 9.124 -14.352 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.334 11.325 -15.063 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.857 12.091 -14.471 1.00 12.39 H new ATOM 1881 N LEU B 32 -10.041 7.345 -14.755 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.560 7.330 -14.927 1.00 10.34 C ATOM 1883 C LEU B 32 -7.990 8.706 -14.572 1.00 9.02 C ATOM 1884 O LEU B 32 -8.720 9.641 -14.311 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.221 6.994 -16.380 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.427 5.497 -16.618 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.281 5.292 -17.871 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.067 4.820 -16.809 1.00 15.89 C ATOM 0 H LEU B 32 -10.527 8.101 -15.238 1.00 6.80 H new ATOM 0 HA LEU B 32 -8.124 6.578 -14.269 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.853 7.571 -17.055 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.189 7.269 -16.597 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.934 5.058 -15.759 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.428 4.225 -18.041 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.249 5.774 -17.735 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.775 5.730 -18.732 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.212 3.753 -16.979 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.560 5.258 -17.668 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.459 4.966 -15.916 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.691 8.838 -14.560 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.077 10.151 -14.223 1.00 8.10 C ATOM 1902 C CYS B 33 -4.592 10.088 -14.562 1.00 6.34 C ATOM 1903 O CYS B 33 -4.053 9.031 -14.813 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.238 10.470 -12.726 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.896 9.043 -11.821 1.00 13.84 S ATOM 0 H CYS B 33 -6.029 8.091 -14.770 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.576 10.933 -14.795 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.274 10.757 -12.307 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.906 11.322 -12.603 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.292 8.940 -10.674 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.923 11.204 -14.575 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.474 11.186 -14.904 1.00 7.08 C ATOM 1913 C TYR B 34 -1.678 11.763 -13.739 1.00 7.71 C ATOM 1914 O TYR B 34 -1.690 12.953 -13.502 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.224 12.045 -16.135 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.424 11.233 -17.391 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.372 10.463 -17.907 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.652 11.276 -18.056 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.551 9.739 -19.086 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.829 10.553 -19.239 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.777 9.788 -19.753 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.953 9.074 -20.921 1.00 21.14 O ATOM 0 H TYR B 34 -4.315 12.124 -14.373 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.164 10.159 -15.094 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.901 12.899 -16.134 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.210 12.443 -16.109 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.423 10.430 -17.392 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -4.463 11.867 -17.657 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.743 9.142 -19.482 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.777 10.585 -19.756 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.863 9.216 -21.257 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.982 10.939 -13.012 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.188 11.464 -11.870 1.00 10.66 C ATOM 1934 C VAL B 35 1.292 11.504 -12.243 1.00 10.57 C ATOM 1935 O VAL B 35 1.927 10.482 -12.410 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.376 10.565 -10.648 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.428 11.131 -9.476 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.860 10.518 -10.276 1.00 9.86 C ATOM 0 H VAL B 35 -0.928 9.931 -13.157 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.532 12.471 -11.635 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.027 9.558 -10.876 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.296 10.492 -8.602 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.484 11.167 -9.743 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.077 12.137 -9.246 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.997 9.877 -9.405 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.209 11.524 -10.045 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.432 10.119 -11.113 1.00 9.86 H new ATOM 1948 N ASP B 36 1.855 12.675 -12.368 1.00 8.58 N ATOM 1949 CA ASP B 36 3.290 12.763 -12.711 1.00 11.48 C ATOM 1950 C ASP B 36 4.091 12.145 -11.568 1.00 12.38 C ATOM 1951 O ASP B 36 5.176 11.637 -11.757 1.00 11.89 O ATOM 1952 CB ASP B 36 3.689 14.230 -12.888 1.00 16.17 C ATOM 1953 CG ASP B 36 3.091 14.770 -14.188 1.00 17.97 C ATOM 1954 OD1 ASP B 36 1.882 14.691 -14.339 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.851 15.253 -15.011 1.00 25.89 O ATOM 0 H ASP B 36 1.379 13.569 -12.246 1.00 8.58 H new ATOM 0 HA ASP B 36 3.489 12.232 -13.642 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.336 14.818 -12.041 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.775 14.322 -12.909 1.00 16.17 H new ATOM 1960 N LEU B 37 3.550 12.183 -10.380 1.00 13.17 N ATOM 1961 CA LEU B 37 4.264 11.600 -9.213 1.00 18.47 C ATOM 1962 C LEU B 37 5.704 12.103 -9.201 1.00 21.14 C ATOM 1963 O LEU B 37 6.607 11.423 -8.755 1.00 24.24 O ATOM 1964 CB LEU B 37 4.259 10.076 -9.318 1.00 15.81 C ATOM 1965 CG LEU B 37 4.912 9.483 -8.071 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.866 8.706 -7.270 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.043 8.540 -8.490 1.00 20.01 C ATOM 0 H LEU B 37 2.641 12.595 -10.169 1.00 13.17 H new ATOM 0 HA LEU B 37 3.763 11.900 -8.293 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.237 9.710 -9.417 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.798 9.760 -10.211 1.00 15.81 H new ATOM 0 HG LEU B 37 5.318 10.285 -7.454 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.331 8.282 -6.380 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.061 9.379 -6.974 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.460 7.903 -7.885 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.511 8.115 -7.602 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.638 7.737 -9.106 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.787 9.095 -9.061 1.00 20.01 H new ATOM 1979 N GLY B 38 5.927 13.289 -9.689 1.00 20.70 N ATOM 1980 CA GLY B 38 7.307 13.835 -9.706 1.00 23.91 C ATOM 1981 C GLY B 38 8.123 13.128 -10.795 1.00 26.50 C ATOM 1982 O GLY B 38 9.325 13.279 -10.880 1.00 31.02 O ATOM 0 H GLY B 38 5.211 13.904 -10.077 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.283 14.908 -9.894 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.778 13.692 -8.733 1.00 23.91 H new ATOM 1986 N ASN B 39 7.477 12.346 -11.623 1.00 27.64 N ATOM 1987 CA ASN B 39 8.211 11.619 -12.696 1.00 30.27 C ATOM 1988 C ASN B 39 8.373 12.508 -13.932 1.00 26.79 C ATOM 1989 O ASN B 39 8.876 12.081 -14.951 1.00 26.87 O ATOM 1990 CB ASN B 39 7.442 10.351 -13.079 1.00 35.62 C ATOM 1991 CG ASN B 39 6.894 9.676 -11.819 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.345 9.951 -10.724 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.934 8.796 -11.928 1.00 39.63 N ATOM 0 H ASN B 39 6.471 12.181 -11.600 1.00 27.64 H new ATOM 0 HA ASN B 39 9.199 11.351 -12.322 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.623 10.601 -13.754 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.098 9.665 -13.614 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.563 8.340 -11.094 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.556 8.565 -12.847 1.00 39.63 H new ATOM 2000 N GLU B 40 7.954 13.736 -13.842 1.00 25.15 N ATOM 2001 CA GLU B 40 8.075 14.685 -14.997 1.00 23.81 C ATOM 2002 C GLU B 40 6.944 14.457 -16.000 1.00 21.12 C ATOM 2003 O GLU B 40 6.356 15.388 -16.513 1.00 19.86 O ATOM 2004 CB GLU B 40 9.426 14.500 -15.699 1.00 27.22 C ATOM 2005 CG GLU B 40 10.551 14.481 -14.660 1.00 34.87 C ATOM 2006 CD GLU B 40 11.884 14.205 -15.358 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.043 13.112 -15.877 1.00 42.34 O ATOM 2008 OE2 GLU B 40 12.722 15.091 -15.362 1.00 39.54 O ATOM 0 H GLU B 40 7.525 14.135 -13.007 1.00 25.15 H new ATOM 0 HA GLU B 40 8.007 15.702 -14.610 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.427 13.570 -16.267 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.590 15.308 -16.412 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.593 15.436 -14.136 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.355 13.715 -13.910 1.00 34.87 H new ATOM 2015 N HIS B 41 6.639 13.231 -16.280 1.00 5.61 N ATOM 2016 CA HIS B 41 5.544 12.927 -17.250 1.00 5.32 C ATOM 2017 C HIS B 41 4.332 12.405 -16.481 1.00 4.14 C ATOM 2018 O HIS B 41 4.476 11.884 -15.395 1.00 3.05 O ATOM 2019 CB HIS B 41 6.016 11.860 -18.240 1.00 5.78 C ATOM 2020 CG HIS B 41 6.883 12.497 -19.291 1.00 5.55 C ATOM 2021 ND1 HIS B 41 8.192 12.876 -19.039 1.00 5.32 N ATOM 2022 CD2 HIS B 41 6.642 12.827 -20.602 1.00 5.74 C ATOM 2023 CE1 HIS B 41 8.686 13.406 -20.173 1.00 5.39 C ATOM 2024 NE2 HIS B 41 7.782 13.401 -21.157 1.00 5.65 N ATOM 0 H HIS B 41 7.100 12.414 -15.880 1.00 5.61 H new ATOM 0 HA HIS B 41 5.276 13.831 -17.797 1.00 5.32 H new ATOM 0 HB2 HIS B 41 6.573 11.084 -17.716 1.00 5.78 H new ATOM 0 HB3 HIS B 41 5.158 11.376 -18.706 1.00 5.78 H new ATOM 0 HD2 HIS B 41 5.710 12.666 -21.123 1.00 5.74 H new ATOM 0 HE1 HIS B 41 9.691 13.789 -20.275 1.00 5.39 H new ATOM 0 HE2 HIS B 41 7.902 13.744 -22.110 1.00 5.65 H new ATOM 2032 N PRO B 42 3.171 12.562 -17.062 1.00 15.11 N ATOM 2033 CA PRO B 42 1.917 12.115 -16.437 1.00 16.08 C ATOM 2034 C PRO B 42 1.761 10.604 -16.571 1.00 17.92 C ATOM 2035 O PRO B 42 2.027 10.030 -17.608 1.00 17.13 O ATOM 2036 CB PRO B 42 0.836 12.828 -17.245 1.00 16.41 C ATOM 2037 CG PRO B 42 1.466 13.166 -18.610 1.00 13.79 C ATOM 2038 CD PRO B 42 2.994 13.189 -18.389 1.00 16.28 C ATOM 0 HA PRO B 42 1.874 12.340 -15.371 1.00 16.08 H new ATOM 0 HB2 PRO B 42 -0.040 12.191 -17.368 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.504 13.733 -16.736 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.193 12.423 -19.359 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.111 14.130 -18.974 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.518 12.633 -19.166 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.385 14.206 -18.405 1.00 16.28 H new ATOM 2046 N VAL B 43 1.317 9.957 -15.535 1.00 16.29 N ATOM 2047 CA VAL B 43 1.129 8.487 -15.611 1.00 14.28 C ATOM 2048 C VAL B 43 -0.364 8.179 -15.552 1.00 9.00 C ATOM 2049 O VAL B 43 -1.033 8.481 -14.584 1.00 7.99 O ATOM 2050 CB VAL B 43 1.844 7.816 -14.442 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.278 8.339 -14.350 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.100 8.127 -13.143 1.00 20.57 C ATOM 0 H VAL B 43 1.076 10.382 -14.640 1.00 16.29 H new ATOM 0 HA VAL B 43 1.547 8.107 -16.543 1.00 14.28 H new ATOM 0 HB VAL B 43 1.863 6.738 -14.599 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.788 7.859 -13.515 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.808 8.114 -15.276 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.263 9.418 -14.194 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.610 7.648 -12.308 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.079 9.205 -12.985 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.079 7.750 -13.209 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.895 7.592 -16.586 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.347 7.282 -16.595 1.00 11.55 C ATOM 2064 C LEU B 44 -2.644 6.140 -15.626 1.00 10.61 C ATOM 2065 O LEU B 44 -2.399 4.984 -15.911 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.776 6.882 -18.002 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.254 6.505 -17.990 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -5.085 7.715 -17.556 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.681 6.068 -19.394 1.00 20.21 C ATOM 0 H LEU B 44 -0.385 7.314 -17.425 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.901 8.167 -16.283 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.605 7.706 -18.695 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -2.177 6.041 -18.352 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.415 5.685 -17.291 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -6.141 7.447 -17.547 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.781 8.025 -16.556 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.925 8.536 -18.255 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.737 5.799 -19.386 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.521 6.888 -20.095 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -4.089 5.206 -19.703 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.180 6.461 -14.485 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.513 5.412 -13.487 1.00 9.29 C ATOM 2083 C VAL B 45 -5.021 5.218 -13.457 1.00 9.95 C ATOM 2084 O VAL B 45 -5.754 5.834 -14.206 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.034 5.847 -12.103 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.604 6.379 -12.200 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -3.953 6.948 -11.558 1.00 10.20 C ATOM 0 H VAL B 45 -3.404 7.414 -14.199 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.022 4.478 -13.762 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.059 4.990 -11.429 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.263 6.689 -11.212 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -0.949 5.595 -12.580 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.579 7.233 -12.877 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.607 7.255 -10.571 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.934 7.805 -12.232 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.972 6.568 -11.484 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.490 4.369 -12.596 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.954 4.141 -12.521 1.00 12.81 C ATOM 2099 C LYS B 46 -7.499 4.671 -11.193 1.00 13.35 C ATOM 2100 O LYS B 46 -6.849 4.603 -10.169 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.249 2.644 -12.639 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.181 2.395 -13.828 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.545 1.372 -14.771 1.00 33.77 C ATOM 2104 CE LYS B 46 -6.119 1.808 -15.113 1.00 34.48 C ATOM 2105 NZ LYS B 46 -5.172 0.701 -14.799 1.00 36.74 N ATOM 0 H LYS B 46 -4.927 3.824 -11.943 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.439 4.671 -13.341 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.320 2.089 -12.770 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.710 2.281 -11.721 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -9.146 2.030 -13.477 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.367 3.328 -14.359 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.533 0.388 -14.302 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.138 1.284 -15.682 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -6.051 2.071 -16.169 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -5.854 2.700 -14.545 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -4.196 1.026 -14.951 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -5.291 0.414 -13.807 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -5.368 -0.110 -15.420 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.694 5.198 -11.208 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.297 5.734 -9.959 1.00 16.93 C ATOM 2121 C ILE B 47 -10.755 5.276 -9.871 1.00 16.52 C ATOM 2122 O ILE B 47 -11.483 5.307 -10.843 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.231 7.266 -9.983 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.464 7.816 -8.578 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.307 7.818 -10.917 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.365 8.819 -8.235 1.00 18.26 C ATOM 0 H ILE B 47 -9.280 5.280 -12.039 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.749 5.365 -9.092 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.246 7.570 -10.338 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.441 8.297 -8.522 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.467 7.002 -7.853 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.255 8.907 -10.929 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.145 7.435 -11.925 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.290 7.506 -10.564 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.531 9.212 -7.232 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.395 8.324 -8.275 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.383 9.639 -8.953 1.00 18.26 H new ATOM 2138 N THR B 48 -11.188 4.848 -8.718 1.00 16.86 N ATOM 2139 CA THR B 48 -12.599 4.388 -8.582 1.00 16.59 C ATOM 2140 C THR B 48 -13.543 5.585 -8.720 1.00 19.04 C ATOM 2141 O THR B 48 -13.167 6.716 -8.488 1.00 22.56 O ATOM 2142 CB THR B 48 -12.795 3.736 -7.212 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.733 2.825 -6.967 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.128 2.989 -7.187 1.00 16.02 C ATOM 0 H THR B 48 -10.629 4.797 -7.867 1.00 16.86 H new ATOM 0 HA THR B 48 -12.820 3.661 -9.363 1.00 16.59 H new ATOM 0 HB THR B 48 -12.799 4.505 -6.440 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.856 2.408 -6.089 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.267 2.525 -6.211 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.941 3.690 -7.374 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.128 2.219 -7.958 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.767 5.341 -9.100 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.739 6.456 -9.259 1.00 18.82 C ATOM 2154 C LEU B 49 -17.031 6.105 -8.512 1.00 20.06 C ATOM 2155 O LEU B 49 -17.729 5.173 -8.860 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.026 6.656 -10.755 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.864 7.918 -10.992 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.350 7.565 -10.912 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -16.538 8.995 -9.948 1.00 14.50 C ATOM 0 H LEU B 49 -15.136 4.413 -9.308 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.330 7.378 -8.846 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.086 6.732 -11.302 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.554 5.786 -11.147 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.627 8.311 -11.981 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -18.947 8.462 -11.080 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.589 6.822 -11.673 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.575 7.159 -9.926 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -17.145 9.880 -10.137 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -16.755 8.612 -8.951 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -15.482 9.258 -10.014 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.343 6.837 -7.475 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.577 6.543 -6.688 1.00 27.04 C ATOM 2173 C ASP B 50 -19.775 6.380 -7.625 1.00 27.73 C ATOM 2174 O ASP B 50 -20.098 7.260 -8.397 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.845 7.695 -5.717 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.604 7.223 -4.283 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.274 6.293 -3.865 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -17.752 7.798 -3.626 1.00 33.99 O ATOM 0 H ASP B 50 -16.795 7.628 -7.138 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.432 5.616 -6.133 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.193 8.538 -5.948 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.871 8.046 -5.828 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.443 5.260 -7.555 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.624 5.041 -8.434 1.00 34.22 C ATOM 2185 C GLU B 51 -22.528 6.273 -8.386 1.00 34.98 C ATOM 2186 O GLU B 51 -23.172 6.544 -7.392 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.402 3.819 -7.941 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.546 3.520 -8.910 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.201 2.189 -8.535 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.002 2.185 -7.615 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -23.890 1.198 -9.174 1.00 54.92 O ATOM 0 H GLU B 51 -20.221 4.488 -6.926 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.292 4.873 -9.458 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.739 2.957 -7.867 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.796 4.004 -6.942 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.283 4.322 -8.877 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.169 3.476 -9.932 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.580 7.024 -9.451 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.441 8.239 -9.463 1.00 34.93 C ATOM 2200 C GLY B 52 -22.561 9.487 -9.380 1.00 36.10 C ATOM 2201 O GLY B 52 -22.906 10.536 -9.885 1.00 35.97 O ATOM 0 H GLY B 52 -22.064 6.849 -10.313 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.041 8.264 -10.373 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.136 8.214 -8.623 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.424 9.381 -8.747 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.523 10.561 -8.636 1.00 35.40 C ATOM 2207 C GLN B 53 -20.025 10.950 -10.029 1.00 31.02 C ATOM 2208 O GLN B 53 -19.950 10.119 -10.911 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.327 10.207 -7.748 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.327 11.104 -6.509 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.886 11.350 -6.056 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.952 10.911 -6.697 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.665 12.040 -4.970 1.00 54.76 N ATOM 0 H GLN B 53 -21.081 8.529 -8.303 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.068 11.396 -8.196 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.378 9.159 -7.451 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.398 10.336 -8.303 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.816 12.052 -6.734 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.896 10.634 -5.707 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.449 12.409 -4.432 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.708 12.210 -4.660 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.695 12.204 -10.184 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.193 12.738 -11.460 1.00 23.44 C ATOM 2224 C PRO B 54 -17.723 12.357 -11.651 1.00 20.14 C ATOM 2225 O PRO B 54 -16.854 12.851 -10.959 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.354 14.249 -11.309 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.402 14.530 -9.792 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.792 13.208 -9.107 1.00 28.37 C ATOM 0 HA PRO B 54 -19.724 12.348 -12.329 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.523 14.777 -11.776 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.266 14.594 -11.797 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.434 14.881 -9.433 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.128 15.311 -9.566 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.120 12.973 -8.281 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.800 13.255 -8.695 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.442 11.478 -12.578 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.034 11.054 -12.817 1.00 15.58 C ATOM 2238 C ALA B 55 -15.092 12.254 -12.685 1.00 16.41 C ATOM 2239 O ALA B 55 -15.452 13.378 -12.976 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.923 10.471 -14.224 1.00 13.98 C ATOM 0 H ALA B 55 -18.133 11.034 -13.182 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.753 10.303 -12.079 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.895 10.158 -14.408 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.586 9.611 -14.315 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.208 11.228 -14.955 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.887 12.019 -12.244 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.912 13.136 -12.085 1.00 14.61 C ATOM 2248 C TYR B 56 -12.935 14.013 -13.338 1.00 15.51 C ATOM 2249 O TYR B 56 -12.374 13.673 -14.359 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.505 12.562 -11.874 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.472 11.805 -10.563 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.949 10.489 -10.508 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.986 12.422 -9.405 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.939 9.792 -9.298 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.977 11.722 -8.191 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.453 10.407 -8.139 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.445 9.717 -6.944 1.00 12.03 O ATOM 0 H TYR B 56 -13.534 11.098 -11.986 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.185 13.740 -11.219 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.242 11.899 -12.698 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.768 13.365 -11.863 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.325 10.013 -11.402 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.618 13.437 -9.447 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.307 8.777 -9.257 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.603 12.197 -7.296 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.075 10.288 -6.239 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.586 15.142 -13.266 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.653 16.045 -14.448 1.00 14.95 C ATOM 2269 C ALA B 57 -12.243 16.284 -14.997 1.00 15.46 C ATOM 2270 O ALA B 57 -11.266 15.903 -14.382 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.270 17.381 -14.032 1.00 14.98 C ATOM 0 H ALA B 57 -14.075 15.478 -12.437 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.267 15.583 -15.221 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.320 18.044 -14.896 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.275 17.213 -13.645 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.655 17.840 -13.258 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.184 16.912 -16.144 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.910 17.227 -16.817 1.00 16.55 C ATOM 2279 C PRO B 58 -10.248 18.444 -16.164 1.00 16.75 C ATOM 2280 O PRO B 58 -10.769 19.540 -16.204 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.333 17.543 -18.254 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.826 17.945 -18.192 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.383 17.366 -16.878 1.00 13.96 C ATOM 0 HA PRO B 58 -10.182 16.418 -16.759 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.730 18.352 -18.667 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.191 16.677 -18.900 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.937 19.029 -18.215 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.370 17.550 -19.050 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.934 18.118 -16.314 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.071 16.541 -17.066 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.105 18.260 -15.563 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.417 19.410 -14.911 1.00 15.08 C ATOM 2293 C GLY B 59 -7.188 18.912 -14.148 1.00 14.96 C ATOM 2294 O GLY B 59 -6.889 17.736 -14.135 1.00 13.79 O ATOM 0 H GLY B 59 -8.619 17.366 -15.495 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.119 20.141 -15.663 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.100 19.915 -14.229 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.478 19.801 -13.504 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.277 19.382 -12.728 1.00 14.53 C ATOM 2300 C LEU B 60 -5.745 18.715 -11.437 1.00 14.15 C ATOM 2301 O LEU B 60 -6.697 19.155 -10.826 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.442 20.616 -12.382 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.990 20.382 -12.790 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.231 21.710 -12.764 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.338 19.400 -11.814 1.00 15.01 C ATOM 0 H LEU B 60 -6.680 20.801 -13.483 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.674 18.689 -13.315 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.838 21.492 -12.896 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.502 20.820 -11.313 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.958 19.967 -13.797 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.194 21.542 -13.055 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.695 22.408 -13.461 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.262 22.127 -11.757 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.301 19.232 -12.105 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.370 19.814 -10.806 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.878 18.453 -11.835 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.106 17.661 -11.008 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.562 17.005 -9.758 1.00 9.57 C ATOM 2319 C TYR B 61 -4.432 16.846 -8.763 1.00 11.76 C ATOM 2320 O TYR B 61 -3.262 16.895 -9.088 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.145 15.632 -10.066 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.578 15.815 -10.465 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.885 16.402 -11.693 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.597 15.422 -9.593 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -9.218 16.597 -12.054 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.930 15.615 -9.953 1.00 13.03 C ATOM 2327 CZ TYR B 61 -10.238 16.204 -11.182 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.556 16.386 -11.545 1.00 14.61 O ATOM 0 H TYR B 61 -4.300 17.233 -11.464 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.325 17.647 -9.317 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.585 15.152 -10.868 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.073 14.983 -9.193 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.093 16.704 -12.362 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.353 14.970 -8.643 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.462 17.050 -13.004 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.722 15.310 -9.284 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.620 16.458 -12.520 1.00 14.61 H new ATOM 2338 N THR B 62 -4.809 16.624 -7.547 1.00 12.22 N ATOM 2339 CA THR B 62 -3.835 16.414 -6.466 1.00 14.26 C ATOM 2340 C THR B 62 -4.424 15.350 -5.566 1.00 15.40 C ATOM 2341 O THR B 62 -5.525 15.485 -5.067 1.00 16.24 O ATOM 2342 CB THR B 62 -3.633 17.704 -5.685 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.839 18.048 -5.017 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.242 18.818 -6.652 1.00 11.61 C ATOM 0 H THR B 62 -5.784 16.579 -7.251 1.00 12.22 H new ATOM 0 HA THR B 62 -2.865 16.111 -6.860 1.00 14.26 H new ATOM 0 HB THR B 62 -2.842 17.569 -4.947 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.708 18.878 -4.513 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.096 19.746 -6.099 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.316 18.550 -7.161 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.034 18.956 -7.388 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.730 14.283 -5.377 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.292 13.210 -4.532 1.00 15.17 C ATOM 2354 C VAL B 63 -4.681 13.793 -3.181 1.00 14.24 C ATOM 2355 O VAL B 63 -4.259 14.868 -2.804 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.274 12.093 -4.351 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.006 10.821 -3.934 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.543 11.846 -5.677 1.00 18.64 C ATOM 0 H VAL B 63 -2.804 14.103 -5.765 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.175 12.792 -5.015 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.550 12.374 -3.586 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.286 10.014 -3.801 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.533 10.995 -2.996 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.723 10.544 -4.707 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.814 11.046 -5.547 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.264 11.559 -6.442 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.031 12.757 -5.985 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.488 13.088 -2.457 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.927 13.579 -1.126 1.00 10.78 C ATOM 2370 C HIS B 64 -5.723 12.456 -0.110 1.00 14.19 C ATOM 2371 O HIS B 64 -6.153 11.332 -0.322 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.410 13.962 -1.187 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.739 14.958 -0.105 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.190 14.886 1.165 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.585 16.039 -0.084 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.710 15.889 1.891 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.566 16.625 1.178 1.00 20.65 N ATOM 0 H HIS B 64 -5.869 12.182 -2.730 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.348 14.456 -0.835 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.643 14.386 -2.164 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.028 13.071 -1.071 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.176 16.383 -0.920 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.465 16.077 2.926 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.092 17.441 1.491 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.071 12.743 0.987 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.838 11.692 2.012 1.00 14.44 C ATOM 2387 C LEU B 65 -6.154 11.322 2.699 1.00 12.66 C ATOM 2388 O LEU B 65 -6.182 10.486 3.580 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.833 12.194 3.052 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.508 13.202 3.966 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.444 12.702 5.412 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.802 14.553 3.856 1.00 19.03 C ATOM 0 H LEU B 65 -4.691 13.662 1.214 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.435 10.806 1.522 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.450 11.357 3.636 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.979 12.653 2.555 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.550 13.319 3.669 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.928 13.425 6.069 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.956 11.743 5.488 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.402 12.582 5.710 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.290 15.273 4.513 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.758 14.443 4.149 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.854 14.908 2.827 1.00 19.03 H new ATOM 2404 N SER B 66 -7.253 11.910 2.298 1.00 13.51 N ATOM 2405 CA SER B 66 -8.540 11.544 2.934 1.00 10.39 C ATOM 2406 C SER B 66 -8.698 10.031 2.808 1.00 8.56 C ATOM 2407 O SER B 66 -9.446 9.403 3.531 1.00 11.70 O ATOM 2408 CB SER B 66 -9.690 12.250 2.214 1.00 12.88 C ATOM 2409 OG SER B 66 -10.840 11.414 2.233 1.00 14.72 O ATOM 0 H SER B 66 -7.308 12.618 1.566 1.00 13.51 H new ATOM 0 HA SER B 66 -8.554 11.845 3.981 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.909 13.201 2.700 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.407 12.475 1.186 1.00 12.88 H new ATOM 0 HG SER B 66 -11.618 11.921 1.919 1.00 14.72 H new ATOM 2415 N SER B 67 -7.984 9.445 1.880 1.00 7.98 N ATOM 2416 CA SER B 67 -8.067 7.977 1.679 1.00 8.20 C ATOM 2417 C SER B 67 -6.904 7.280 2.400 1.00 11.02 C ATOM 2418 O SER B 67 -6.859 6.069 2.487 1.00 11.45 O ATOM 2419 CB SER B 67 -7.993 7.677 0.187 1.00 8.01 C ATOM 2420 OG SER B 67 -9.309 7.519 -0.323 1.00 11.22 O ATOM 0 H SER B 67 -7.344 9.930 1.251 1.00 7.98 H new ATOM 0 HA SER B 67 -9.008 7.608 2.087 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.483 8.487 -0.334 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.412 6.771 0.014 1.00 8.01 H new ATOM 0 HG SER B 67 -9.295 7.614 -1.298 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.957 8.029 2.909 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.801 7.396 3.607 1.00 11.79 C ATOM 2428 C PHE B 68 -5.227 6.963 5.010 1.00 12.69 C ATOM 2429 O PHE B 68 -6.144 7.509 5.589 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.641 8.397 3.710 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.292 8.954 2.344 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.953 8.503 1.190 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.331 9.966 2.245 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.649 9.068 -0.052 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.025 10.525 1.002 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.686 10.078 -0.145 1.00 11.87 C ATOM 0 H PHE B 68 -5.936 9.048 2.870 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.473 6.525 3.039 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.915 9.211 4.381 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.769 7.907 4.142 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.695 7.721 1.262 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.824 10.316 3.132 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.158 8.724 -0.940 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.278 11.302 0.928 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.453 10.513 -1.105 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.565 5.983 5.558 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.925 5.509 6.924 1.00 15.38 C ATOM 2448 C LYS B 69 -3.651 5.257 7.728 1.00 15.02 C ATOM 2449 O LYS B 69 -2.551 5.371 7.224 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.726 4.210 6.825 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.201 4.534 6.580 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.040 4.014 7.750 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.422 2.555 7.496 1.00 30.24 C ATOM 2454 NZ LYS B 69 -8.272 1.775 8.757 1.00 32.70 N ATOM 0 H LYS B 69 -3.789 5.489 5.118 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.528 6.269 7.421 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.339 3.593 6.014 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -5.618 3.633 7.743 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.335 5.610 6.473 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.535 4.077 5.648 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.477 4.097 8.680 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.938 4.621 7.866 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.450 2.494 7.138 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -7.788 2.132 6.717 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -8.532 0.783 8.584 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -7.285 1.823 9.080 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -8.895 2.174 9.488 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.792 4.912 8.976 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.593 4.648 9.818 1.00 13.49 C ATOM 2470 C VAL B 70 -2.669 3.230 10.384 1.00 11.85 C ATOM 2471 O VAL B 70 -3.695 2.798 10.870 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.541 5.652 10.964 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.170 5.586 11.638 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.778 7.063 10.420 1.00 15.63 C ATOM 0 H VAL B 70 -4.688 4.801 9.451 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.695 4.748 9.209 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.315 5.411 11.693 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.132 6.304 12.457 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -1.004 4.582 12.028 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.395 5.826 10.910 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.741 7.780 11.240 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.006 7.306 9.690 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.757 7.109 9.942 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.589 2.500 10.322 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.598 1.109 10.854 1.00 11.07 C ATOM 2486 C GLY B 71 -0.584 0.264 10.081 1.00 12.15 C ATOM 2487 O GLY B 71 0.315 0.783 9.449 1.00 12.70 O ATOM 0 H GLY B 71 -0.701 2.807 9.926 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -1.351 1.112 11.916 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.595 0.678 10.760 1.00 11.07 H new ATOM 2491 N GLN B 72 -0.720 -1.033 10.123 1.00 15.78 N ATOM 2492 CA GLN B 72 0.240 -1.903 9.388 1.00 19.42 C ATOM 2493 C GLN B 72 1.647 -1.689 9.946 1.00 16.97 C ATOM 2494 O GLN B 72 2.489 -1.079 9.317 1.00 20.46 O ATOM 2495 CB GLN B 72 0.218 -1.541 7.901 1.00 22.64 C ATOM 2496 CG GLN B 72 0.443 -2.801 7.064 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.621 -3.843 7.412 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.739 -3.768 6.943 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.318 -4.821 8.223 1.00 25.15 N ATOM 0 H GLN B 72 -1.452 -1.527 10.633 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.045 -2.948 9.511 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -0.737 -1.085 7.641 1.00 22.64 H new ATOM 0 HB3 GLN B 72 0.992 -0.805 7.684 1.00 22.64 H new ATOM 0 HG2 GLN B 72 0.396 -2.558 6.002 1.00 25.29 H new ATOM 0 HG3 GLN B 72 1.438 -3.204 7.255 1.00 25.29 H new ATOM 0 HE21 GLN B 72 0.621 -4.884 8.617 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -1.020 -5.521 8.462 1.00 25.15 H new ATOM 2508 N PHE B 73 1.908 -2.184 11.124 1.00 14.56 N ATOM 2509 CA PHE B 73 3.261 -2.006 11.724 1.00 14.60 C ATOM 2510 C PHE B 73 3.500 -0.522 11.999 1.00 15.63 C ATOM 2511 O PHE B 73 4.604 -0.101 12.283 1.00 17.80 O ATOM 2512 CB PHE B 73 4.320 -2.522 10.751 1.00 12.63 C ATOM 2513 CG PHE B 73 4.765 -3.897 11.182 1.00 14.99 C ATOM 2514 CD1 PHE B 73 3.884 -4.980 11.086 1.00 16.27 C ATOM 2515 CD2 PHE B 73 6.060 -4.090 11.678 1.00 19.79 C ATOM 2516 CE1 PHE B 73 4.297 -6.257 11.487 1.00 20.44 C ATOM 2517 CE2 PHE B 73 6.473 -5.367 12.079 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.591 -6.450 11.983 1.00 17.88 C ATOM 0 H PHE B 73 1.244 -2.704 11.697 1.00 14.56 H new ATOM 0 HA PHE B 73 3.324 -2.565 12.658 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.914 -2.559 9.740 1.00 12.63 H new ATOM 0 HB3 PHE B 73 5.172 -1.842 10.728 1.00 12.63 H new ATOM 0 HD1 PHE B 73 2.885 -4.831 10.703 1.00 16.27 H new ATOM 0 HD2 PHE B 73 6.740 -3.254 11.751 1.00 19.79 H new ATOM 0 HE1 PHE B 73 3.617 -7.093 11.413 1.00 20.44 H new ATOM 0 HE2 PHE B 73 7.472 -5.516 12.462 1.00 18.68 H new ATOM 0 HZ PHE B 73 5.909 -7.435 12.292 1.00 17.88 H new ATOM 2528 N GLY B 74 2.471 0.274 11.916 1.00 13.82 N ATOM 2529 CA GLY B 74 2.632 1.733 12.172 1.00 13.44 C ATOM 2530 C GLY B 74 3.162 2.417 10.911 1.00 10.42 C ATOM 2531 O GLY B 74 4.110 3.175 10.956 1.00 13.62 O ATOM 0 H GLY B 74 1.524 -0.023 11.682 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.676 2.170 12.461 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.320 1.894 13.002 1.00 13.44 H new ATOM 2535 N SER B 75 2.558 2.153 9.784 1.00 12.64 N ATOM 2536 CA SER B 75 3.030 2.787 8.521 1.00 12.47 C ATOM 2537 C SER B 75 1.841 3.398 7.776 1.00 12.47 C ATOM 2538 O SER B 75 0.867 2.731 7.489 1.00 11.32 O ATOM 2539 CB SER B 75 3.693 1.729 7.639 1.00 11.21 C ATOM 2540 OG SER B 75 4.255 2.356 6.495 1.00 18.27 O ATOM 0 H SER B 75 1.759 1.527 9.684 1.00 12.64 H new ATOM 0 HA SER B 75 3.750 3.571 8.757 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.468 1.206 8.199 1.00 11.21 H new ATOM 0 HB3 SER B 75 2.960 0.981 7.335 1.00 11.21 H new ATOM 0 HG SER B 75 4.682 1.680 5.928 1.00 18.27 H new ATOM 2546 N LEU B 76 1.916 4.661 7.454 1.00 12.43 N ATOM 2547 CA LEU B 76 0.792 5.310 6.721 1.00 12.18 C ATOM 2548 C LEU B 76 0.646 4.656 5.347 1.00 12.07 C ATOM 2549 O LEU B 76 1.615 4.242 4.742 1.00 9.82 O ATOM 2550 CB LEU B 76 1.085 6.802 6.550 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.225 7.589 6.591 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.663 7.778 8.045 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.017 8.957 5.937 1.00 7.80 C ATOM 0 H LEU B 76 2.706 5.270 7.667 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.133 5.188 7.285 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.752 7.145 7.341 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.597 6.976 5.603 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.996 7.041 6.050 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.597 8.339 8.074 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.811 6.803 8.510 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.106 8.326 8.588 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.950 9.520 5.965 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.754 9.506 6.478 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.294 8.822 4.901 1.00 7.80 H new ATOM 2565 N MET B 77 -0.555 4.556 4.845 1.00 14.08 N ATOM 2566 CA MET B 77 -0.751 3.923 3.509 1.00 14.12 C ATOM 2567 C MET B 77 -2.092 4.369 2.928 1.00 11.37 C ATOM 2568 O MET B 77 -3.062 4.543 3.638 1.00 11.44 O ATOM 2569 CB MET B 77 -0.752 2.395 3.641 1.00 16.48 C ATOM 2570 CG MET B 77 0.035 1.971 4.884 1.00 24.75 C ATOM 2571 SD MET B 77 -0.231 0.208 5.193 1.00 35.11 S ATOM 2572 CE MET B 77 -2.011 0.298 5.508 1.00 33.86 C ATOM 0 H MET B 77 -1.407 4.884 5.300 1.00 14.08 H new ATOM 0 HA MET B 77 0.064 4.228 2.853 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.777 2.029 3.708 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.311 1.946 2.751 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.097 2.170 4.741 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.285 2.555 5.747 1.00 24.75 H new ATOM 0 HE1 MET B 77 -2.303 -0.511 6.177 1.00 33.86 H new ATOM 0 HE2 MET B 77 -2.251 1.256 5.970 1.00 33.86 H new ATOM 0 HE3 MET B 77 -2.552 0.204 4.567 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.155 4.549 1.639 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.437 4.977 1.014 1.00 11.62 C ATOM 2584 C ILE B 78 -4.482 3.873 1.183 1.00 11.45 C ATOM 2585 O ILE B 78 -4.180 2.698 1.128 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.231 5.238 -0.480 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.504 6.571 -0.670 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.589 5.285 -1.194 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -1.139 6.318 -1.314 1.00 13.67 C ATOM 0 H ILE B 78 -1.377 4.419 0.993 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.777 5.891 1.500 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.632 4.433 -0.906 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -3.097 7.235 -1.298 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.378 7.070 0.291 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.435 5.471 -2.257 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.102 4.332 -1.063 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.196 6.085 -0.770 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.620 7.267 -1.450 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.547 5.669 -0.669 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.277 5.838 -2.283 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.714 4.251 1.351 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.800 3.242 1.483 1.00 14.79 C ATOM 2603 C ASP B 79 -7.544 3.204 0.156 1.00 15.20 C ATOM 2604 O ASP B 79 -7.554 2.212 -0.545 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.758 3.649 2.606 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.486 2.410 3.129 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.908 1.704 3.939 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.610 2.186 2.710 1.00 21.87 O ATOM 0 H ASP B 79 -6.020 5.223 1.403 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.389 2.262 1.725 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.205 4.127 3.414 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.479 4.379 2.237 1.00 12.21 H new ATOM 2613 N ARG B 80 -8.130 4.304 -0.206 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.843 4.385 -1.507 1.00 17.14 C ATOM 2615 C ARG B 80 -8.607 5.770 -2.096 1.00 14.98 C ATOM 2616 O ARG B 80 -9.524 6.509 -2.393 1.00 16.47 O ATOM 2617 CB ARG B 80 -10.341 4.134 -1.317 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.909 3.455 -2.565 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.586 4.500 -3.453 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.870 4.927 -2.828 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.476 6.007 -3.245 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.960 6.717 -4.212 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.599 6.377 -2.693 1.00 35.04 N ATOM 0 H ARG B 80 -8.147 5.160 0.348 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.463 3.621 -2.185 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.507 3.506 -0.442 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.858 5.076 -1.136 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.111 2.957 -3.116 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -11.627 2.686 -2.279 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.930 5.360 -3.585 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.772 4.085 -4.444 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.277 4.375 -2.073 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.082 6.429 -4.644 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.435 7.560 -4.536 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.002 5.823 -1.937 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.073 7.220 -3.017 1.00 35.04 H new ATOM 2637 N LEU B 81 -7.353 6.082 -2.255 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.888 7.389 -2.818 1.00 11.27 C ATOM 2639 C LEU B 81 -8.040 8.355 -3.111 1.00 15.61 C ATOM 2640 O LEU B 81 -8.872 8.104 -3.961 1.00 18.56 O ATOM 2641 CB LEU B 81 -6.129 7.117 -4.114 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.649 8.441 -4.694 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.232 8.275 -5.249 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.591 8.876 -5.817 1.00 18.72 C ATOM 0 H LEU B 81 -6.590 5.453 -2.005 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.252 7.862 -2.070 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -5.281 6.460 -3.923 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -6.774 6.605 -4.828 1.00 13.62 H new ATOM 0 HG LEU B 81 -5.643 9.199 -3.911 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -3.890 9.223 -5.664 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.561 7.967 -4.447 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.234 7.517 -6.032 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.248 9.824 -6.233 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.598 8.118 -6.600 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.599 8.997 -5.420 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.074 9.477 -2.437 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.149 10.471 -2.707 1.00 12.72 C ATOM 2658 C ARG B 82 -8.575 11.556 -3.623 1.00 13.33 C ATOM 2659 O ARG B 82 -7.919 12.473 -3.177 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.615 11.094 -1.389 1.00 13.85 C ATOM 2661 CG ARG B 82 -10.480 12.323 -1.679 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.891 12.092 -1.136 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.705 11.376 -2.158 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.834 10.811 -1.820 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.255 10.871 -0.585 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.543 10.185 -2.719 1.00 16.89 N ATOM 0 H ARG B 82 -7.405 9.744 -1.715 1.00 13.37 H new ATOM 0 HA ARG B 82 -10.002 9.989 -3.185 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.183 10.365 -0.811 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -8.753 11.378 -0.785 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -10.041 13.207 -1.217 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -10.518 12.510 -2.752 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.847 11.509 -0.216 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.357 13.045 -0.887 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.380 11.327 -3.124 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.702 11.360 0.119 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.137 10.429 -0.325 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.216 10.137 -3.684 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.424 9.744 -2.457 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.789 11.446 -4.905 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.224 12.461 -5.843 1.00 13.86 C ATOM 2682 C LEU B 83 -9.045 13.747 -5.819 1.00 13.02 C ATOM 2683 O LEU B 83 -10.235 13.743 -5.577 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.233 11.914 -7.266 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.809 11.885 -7.813 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.846 11.508 -9.296 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.189 13.273 -7.652 1.00 10.58 C ATOM 0 H LEU B 83 -9.329 10.700 -5.344 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.205 12.677 -5.523 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.658 10.910 -7.278 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.865 12.535 -7.901 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.214 11.151 -7.269 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.830 11.486 -9.691 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.301 10.524 -9.410 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.433 12.245 -9.844 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.170 13.264 -8.040 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.781 14.002 -8.205 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.173 13.544 -6.596 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.401 14.847 -6.088 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.097 16.151 -6.110 1.00 12.86 C ATOM 2701 C VAL B 84 -8.360 17.066 -7.093 1.00 14.98 C ATOM 2702 O VAL B 84 -7.187 16.880 -7.333 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.044 16.755 -4.710 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.694 15.794 -3.713 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.585 16.995 -4.313 1.00 17.34 C ATOM 0 H VAL B 84 -7.404 14.892 -6.297 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.136 16.034 -6.416 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.583 17.702 -4.703 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.656 16.226 -2.713 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.733 15.625 -3.995 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.157 14.845 -3.719 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.546 17.427 -3.313 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.045 16.048 -4.321 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.123 17.682 -5.022 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.054 18.039 -7.617 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.460 19.005 -8.556 1.00 22.41 C ATOM 2717 C PRO B 85 -7.360 19.819 -7.855 1.00 25.70 C ATOM 2718 O PRO B 85 -7.473 20.160 -6.694 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.645 19.866 -8.995 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.722 19.676 -7.916 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.471 18.282 -7.319 1.00 20.63 C ATOM 0 HA PRO B 85 -7.969 18.542 -9.412 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.357 20.914 -9.080 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.012 19.556 -9.973 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.650 20.449 -7.150 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.722 19.744 -8.345 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.666 18.262 -6.247 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.113 17.528 -7.774 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.288 20.113 -8.546 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.169 20.881 -7.920 1.00 39.94 C ATOM 2731 C ALA B 86 -5.604 22.331 -7.696 1.00 46.96 C ATOM 2732 O ALA B 86 -5.903 23.050 -8.628 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.950 20.848 -8.848 1.00 39.70 C ATOM 0 H ALA B 86 -6.139 19.853 -9.521 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.910 20.431 -6.962 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.132 21.407 -8.394 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.640 19.815 -9.005 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.210 21.298 -9.806 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.643 22.766 -6.466 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.059 24.170 -6.185 1.00 55.12 C ATOM 2741 C LYS B 87 -4.837 24.990 -5.766 1.00 55.82 C ATOM 2742 O LYS B 87 -4.698 25.248 -4.582 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.094 24.179 -5.058 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.350 24.919 -5.522 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.846 24.310 -6.835 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.192 23.621 -6.602 1.00 58.91 C ATOM 2747 NZ LYS B 87 -11.056 23.801 -7.803 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.061 25.346 -6.637 1.00 57.66 O ATOM 0 H LYS B 87 -5.405 22.211 -5.644 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.497 24.607 -7.082 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.346 23.157 -4.773 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.680 24.663 -4.174 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -9.127 24.851 -4.761 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -8.131 25.978 -5.660 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -8.950 25.087 -7.592 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.118 23.592 -7.213 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.040 22.560 -6.406 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.681 24.041 -5.723 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -11.971 23.333 -7.646 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.210 24.816 -7.971 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -10.590 23.380 -8.632 1.00 58.16 H new TER 2762 LYS B 87