USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HD1:sc= -0.38 K(o=-0.75,f=-3.5) USER MOD Set 1.2: A 71 CYS SG : rot 130:sc= -0.423 USER MOD Set 1.3: A 76 CYS SG : rot 90:sc= -0.0723 USER MOD Set 1.4: A 81 CYS SG : rot -174:sc= 0.125 USER MOD Set 2.1: A 42 HIS : no HE2:sc= -1.43 X(o=0.043,f=0.48) USER MOD Set 2.2: A 43 THR OG1 : rot 78:sc= 1.02 USER MOD Set 2.3: A 46 CYS SG : rot -165:sc= 0.27 USER MOD Set 2.4: A 54 CYS SG : rot 119:sc= 0.791 USER MOD Set 2.5: A 57 CYS SG : rot 85:sc= -0.61 USER MOD Set 3.1: A 41 GLN : amide:sc= 0.734 K(o=1.7,f=-5.9!) USER MOD Set 3.2: A 44 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0) USER MOD Set 4.1: A 25 ASN : amide:sc= 1.24 K(o=2,f=-1.7) USER MOD Set 4.2: A 27 ASN : amide:sc= 0.721 K(o=2,f=-1.7) USER MOD Set 5.1: A 19 HIS : no HE2:sc= -1.13 X(o=-1.7,f=-1.8) USER MOD Set 5.2: A 23 CYS SG : rot 167:sc= -0.243 USER MOD Set 5.3: A 28 CYS SG : rot 119:sc= -0.3 USER MOD Set 5.4: A 33 CYS SG : rot -159:sc= -0.059 USER MOD Set 6.1: A 11 GLN : amide:sc= 0.924 K(o=2.6,f=0.76) USER MOD Set 6.2: A 66 TYR OH : rot -80:sc= 1.72 USER MOD Single : A 3 GLN : amide:sc= -0.0852 K(o=-0.085,f=-8.1!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 70:sc= 2.05 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 16 SER OG : rot -116:sc= -0.187 USER MOD Single : A 21 CYS SG : rot 130:sc= -0.0683 USER MOD Single : A 22 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 32 SER OG : rot 180:sc= 0.121 USER MOD Single : A 34 GLN : amide:sc= 3.83 K(o=3.8,f=-9.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 1.18 (180deg=0.778) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0372) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0.714 (180deg=0.679) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : A 64 CYS SG : rot -130:sc= 0.694 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0336) USER MOD Single : A 70 HIS : no HD1:sc= 0.00392 X(o=0.0039,f=-0.07) USER MOD Single : A 72 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.168! X(o=-0.17!,f=-0.065) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.26 K(o=0.26,f=-1.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0.895 (180deg=0.895) USER MOD Single : A 86 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.66) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0543) USER MOD ----------------------------------------------------------------- ATOM 12 N PRO A 2 4.933 -8.831 19.928 1.00 0.00 N ATOM 13 CA PRO A 2 5.545 -8.264 18.732 1.00 0.00 C ATOM 14 C PRO A 2 4.820 -8.629 17.435 1.00 0.00 C ATOM 15 O PRO A 2 4.412 -7.746 16.681 1.00 0.00 O ATOM 16 CB PRO A 2 7.000 -8.748 18.730 1.00 0.00 C ATOM 17 CG PRO A 2 7.288 -8.962 20.214 1.00 0.00 C ATOM 18 CD PRO A 2 5.952 -9.477 20.746 1.00 0.00 C ATOM 0 HA PRO A 2 5.481 -7.176 18.765 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.119 -9.668 18.158 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.671 -8.010 18.290 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.091 -9.683 20.371 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.590 -8.037 20.705 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.890 -10.562 20.666 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.826 -9.227 21.800 1.00 0.00 H new ATOM 26 N GLN A 3 4.666 -9.929 17.158 1.00 0.00 N ATOM 27 CA GLN A 3 4.033 -10.380 15.925 1.00 0.00 C ATOM 28 C GLN A 3 2.653 -9.740 15.775 1.00 0.00 C ATOM 29 O GLN A 3 2.350 -9.132 14.755 1.00 0.00 O ATOM 30 CB GLN A 3 4.058 -11.917 15.826 1.00 0.00 C ATOM 31 CG GLN A 3 2.951 -12.702 16.550 1.00 0.00 C ATOM 32 CD GLN A 3 1.617 -12.720 15.796 1.00 0.00 C ATOM 33 OE1 GLN A 3 1.542 -12.354 14.627 1.00 0.00 O ATOM 34 NE2 GLN A 3 0.549 -13.144 16.462 1.00 0.00 N ATOM 0 H GLN A 3 4.972 -10.682 17.774 1.00 0.00 H new ATOM 0 HA GLN A 3 4.604 -10.039 15.062 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.022 -12.185 14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.018 -12.261 16.210 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.286 -13.728 16.703 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.795 -12.267 17.537 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.639 -13.443 17.433 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.361 -13.171 16.002 1.00 0.00 H new ATOM 43 N GLU A 4 1.839 -9.836 16.828 1.00 0.00 N ATOM 44 CA GLU A 4 0.504 -9.257 16.868 1.00 0.00 C ATOM 45 C GLU A 4 0.574 -7.759 16.563 1.00 0.00 C ATOM 46 O GLU A 4 -0.197 -7.254 15.751 1.00 0.00 O ATOM 47 CB GLU A 4 -0.129 -9.536 18.235 1.00 0.00 C ATOM 48 CG GLU A 4 -1.632 -9.229 18.249 1.00 0.00 C ATOM 49 CD GLU A 4 -2.262 -9.485 19.617 1.00 0.00 C ATOM 50 OE1 GLU A 4 -1.682 -10.295 20.376 1.00 0.00 O ATOM 51 OE2 GLU A 4 -3.314 -8.865 19.880 1.00 0.00 O ATOM 0 H GLU A 4 2.096 -10.325 17.685 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.126 -9.714 16.105 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.029 -10.581 18.501 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.370 -8.935 18.995 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.791 -8.188 17.967 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.133 -9.842 17.500 1.00 0.00 H new ATOM 58 N SER A 5 1.517 -7.051 17.190 1.00 0.00 N ATOM 59 CA SER A 5 1.716 -5.631 16.940 1.00 0.00 C ATOM 60 C SER A 5 1.949 -5.398 15.445 1.00 0.00 C ATOM 61 O SER A 5 1.370 -4.481 14.866 1.00 0.00 O ATOM 62 CB SER A 5 2.864 -5.084 17.794 1.00 0.00 C ATOM 63 OG SER A 5 2.627 -5.373 19.158 1.00 0.00 O ATOM 0 H SER A 5 2.157 -7.447 17.879 1.00 0.00 H new ATOM 0 HA SER A 5 0.819 -5.084 17.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.808 -5.528 17.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.954 -4.007 17.651 1.00 0.00 H new ATOM 0 HG SER A 5 3.365 -5.023 19.700 1.00 0.00 H new ATOM 69 N ARG A 6 2.766 -6.241 14.806 1.00 0.00 N ATOM 70 CA ARG A 6 2.998 -6.166 13.368 1.00 0.00 C ATOM 71 C ARG A 6 1.699 -6.450 12.606 1.00 0.00 C ATOM 72 O ARG A 6 1.373 -5.694 11.693 1.00 0.00 O ATOM 73 CB ARG A 6 4.166 -7.072 12.947 1.00 0.00 C ATOM 74 CG ARG A 6 5.538 -6.375 12.961 1.00 0.00 C ATOM 75 CD ARG A 6 5.867 -5.602 14.248 1.00 0.00 C ATOM 76 NE ARG A 6 5.256 -4.261 14.249 1.00 0.00 N ATOM 77 CZ ARG A 6 5.732 -3.184 13.607 1.00 0.00 C ATOM 78 NH1 ARG A 6 6.936 -3.212 13.025 1.00 0.00 N ATOM 79 NH2 ARG A 6 4.986 -2.076 13.531 1.00 0.00 N ATOM 0 H ARG A 6 3.280 -6.989 15.271 1.00 0.00 H new ATOM 0 HA ARG A 6 3.301 -5.153 13.105 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.202 -7.934 13.613 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.974 -7.452 11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.311 -7.127 12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.585 -5.684 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.512 -6.165 15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.948 -5.509 14.351 1.00 0.00 H new ATOM 0 HE ARG A 6 4.396 -4.142 14.785 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.503 -4.059 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.287 -2.386 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.061 -2.054 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.342 -1.254 13.044 1.00 0.00 H new ATOM 93 N ARG A 7 0.932 -7.482 12.976 1.00 0.00 N ATOM 94 CA ARG A 7 -0.352 -7.763 12.331 1.00 0.00 C ATOM 95 C ARG A 7 -1.232 -6.509 12.363 1.00 0.00 C ATOM 96 O ARG A 7 -1.775 -6.099 11.334 1.00 0.00 O ATOM 97 CB ARG A 7 -1.104 -8.930 12.996 1.00 0.00 C ATOM 98 CG ARG A 7 -0.374 -10.278 13.065 1.00 0.00 C ATOM 99 CD ARG A 7 -0.019 -10.888 11.703 1.00 0.00 C ATOM 100 NE ARG A 7 1.130 -10.227 11.070 1.00 0.00 N ATOM 101 CZ ARG A 7 2.417 -10.423 11.395 1.00 0.00 C ATOM 102 NH1 ARG A 7 2.761 -11.189 12.436 1.00 0.00 N ATOM 103 NH2 ARG A 7 3.370 -9.845 10.656 1.00 0.00 N ATOM 0 H ARG A 7 1.180 -8.135 13.719 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.138 -8.053 11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.362 -8.632 14.012 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.041 -9.079 12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.543 -10.150 13.640 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.997 -10.985 13.613 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.201 -11.948 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.883 -10.819 11.042 1.00 0.00 H new ATOM 0 HE ARG A 7 0.933 -9.564 10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.039 -11.637 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.745 -11.325 12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.114 -9.264 9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.353 -9.985 10.891 1.00 0.00 H new ATOM 117 N LEU A 8 -1.358 -5.898 13.544 1.00 0.00 N ATOM 118 CA LEU A 8 -2.140 -4.687 13.739 1.00 0.00 C ATOM 119 C LEU A 8 -1.570 -3.548 12.891 1.00 0.00 C ATOM 120 O LEU A 8 -2.319 -2.857 12.208 1.00 0.00 O ATOM 121 CB LEU A 8 -2.191 -4.317 15.229 1.00 0.00 C ATOM 122 CG LEU A 8 -2.939 -5.347 16.095 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.672 -5.053 17.575 1.00 0.00 C ATOM 124 CD2 LEU A 8 -4.451 -5.316 15.844 1.00 0.00 C ATOM 0 H LEU A 8 -0.913 -6.238 14.397 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.164 -4.865 13.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.173 -4.211 15.603 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.673 -3.345 15.337 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.572 -6.337 15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.200 -5.780 18.191 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.602 -5.119 17.772 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.024 -4.050 17.816 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.940 -6.058 16.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.839 -4.325 16.081 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.651 -5.542 14.797 1.00 0.00 H new ATOM 136 N SER A 9 -0.248 -3.350 12.898 1.00 0.00 N ATOM 137 CA SER A 9 0.397 -2.317 12.090 1.00 0.00 C ATOM 138 C SER A 9 0.010 -2.493 10.619 1.00 0.00 C ATOM 139 O SER A 9 -0.417 -1.542 9.962 1.00 0.00 O ATOM 140 CB SER A 9 1.918 -2.353 12.279 1.00 0.00 C ATOM 141 OG SER A 9 2.251 -2.186 13.645 1.00 0.00 O ATOM 0 H SER A 9 0.400 -3.900 13.462 1.00 0.00 H new ATOM 0 HA SER A 9 0.052 -1.337 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.313 -3.301 11.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.383 -1.565 11.686 1.00 0.00 H new ATOM 0 HG SER A 9 1.991 -2.988 14.145 1.00 0.00 H new ATOM 147 N ILE A 10 0.119 -3.725 10.117 1.00 0.00 N ATOM 148 CA ILE A 10 -0.277 -4.056 8.758 1.00 0.00 C ATOM 149 C ILE A 10 -1.747 -3.665 8.580 1.00 0.00 C ATOM 150 O ILE A 10 -2.076 -2.962 7.633 1.00 0.00 O ATOM 151 CB ILE A 10 0.011 -5.540 8.455 1.00 0.00 C ATOM 152 CG1 ILE A 10 1.533 -5.765 8.383 1.00 0.00 C ATOM 153 CG2 ILE A 10 -0.642 -5.962 7.132 1.00 0.00 C ATOM 154 CD1 ILE A 10 1.916 -7.245 8.466 1.00 0.00 C ATOM 0 H ILE A 10 0.485 -4.517 10.646 1.00 0.00 H new ATOM 0 HA ILE A 10 0.309 -3.495 8.030 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.411 -6.148 9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.914 -5.347 7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.015 -5.223 9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.426 -7.013 6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.721 -5.820 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.244 -5.354 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.000 -7.344 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.562 -7.660 9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.459 -7.786 7.637 1.00 0.00 H new ATOM 166 N GLN A 11 -2.633 -4.073 9.492 1.00 0.00 N ATOM 167 CA GLN A 11 -4.047 -3.721 9.407 1.00 0.00 C ATOM 168 C GLN A 11 -4.251 -2.196 9.362 1.00 0.00 C ATOM 169 O GLN A 11 -5.108 -1.709 8.621 1.00 0.00 O ATOM 170 CB GLN A 11 -4.834 -4.368 10.555 1.00 0.00 C ATOM 171 CG GLN A 11 -4.885 -5.888 10.363 1.00 0.00 C ATOM 172 CD GLN A 11 -5.187 -6.642 11.655 1.00 0.00 C ATOM 173 OE1 GLN A 11 -5.952 -6.174 12.491 1.00 0.00 O ATOM 174 NE2 GLN A 11 -4.584 -7.814 11.835 1.00 0.00 N ATOM 0 H GLN A 11 -2.392 -4.649 10.299 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.437 -4.117 8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.364 -4.129 11.509 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.845 -3.963 10.587 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.646 -6.130 9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.930 -6.231 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.953 -8.178 11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.753 -8.349 12.687 1.00 0.00 H new ATOM 183 N ARG A 12 -3.490 -1.416 10.136 1.00 0.00 N ATOM 184 CA ARG A 12 -3.585 0.044 10.099 1.00 0.00 C ATOM 185 C ARG A 12 -3.203 0.527 8.698 1.00 0.00 C ATOM 186 O ARG A 12 -3.925 1.310 8.079 1.00 0.00 O ATOM 187 CB ARG A 12 -2.697 0.701 11.164 1.00 0.00 C ATOM 188 CG ARG A 12 -3.197 0.422 12.586 1.00 0.00 C ATOM 189 CD ARG A 12 -2.341 1.183 13.604 1.00 0.00 C ATOM 190 NE ARG A 12 -2.684 0.801 14.981 1.00 0.00 N ATOM 191 CZ ARG A 12 -2.146 -0.224 15.662 1.00 0.00 C ATOM 192 NH1 ARG A 12 -1.255 -1.035 15.081 1.00 0.00 N ATOM 193 NH2 ARG A 12 -2.505 -0.430 16.932 1.00 0.00 N ATOM 0 H ARG A 12 -2.800 -1.774 10.797 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.611 0.335 10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.676 0.333 11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.667 1.778 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.240 0.724 12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.155 -0.648 12.791 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.286 0.980 13.420 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.486 2.256 13.475 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.390 1.361 15.459 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.978 -0.878 14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.852 -1.811 15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.183 0.189 17.377 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.101 -1.206 17.457 1.00 0.00 H new ATOM 207 N CYS A 13 -2.078 0.032 8.177 1.00 0.00 N ATOM 208 CA CYS A 13 -1.636 0.366 6.827 1.00 0.00 C ATOM 209 C CYS A 13 -2.731 0.015 5.819 1.00 0.00 C ATOM 210 O CYS A 13 -3.036 0.819 4.941 1.00 0.00 O ATOM 211 CB CYS A 13 -0.312 -0.328 6.488 1.00 0.00 C ATOM 212 SG CYS A 13 1.068 0.598 7.202 1.00 0.00 S ATOM 0 H CYS A 13 -1.456 -0.605 8.675 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.453 1.439 6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.316 -1.347 6.874 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.194 -0.397 5.407 1.00 0.00 H new ATOM 0 HG CYS A 13 2.186 0.002 6.912 1.00 0.00 H new ATOM 218 N ILE A 14 -3.354 -1.160 5.952 1.00 0.00 N ATOM 219 CA ILE A 14 -4.447 -1.584 5.084 1.00 0.00 C ATOM 220 C ILE A 14 -5.586 -0.575 5.157 1.00 0.00 C ATOM 221 O ILE A 14 -6.094 -0.159 4.123 1.00 0.00 O ATOM 222 CB ILE A 14 -4.918 -3.010 5.418 1.00 0.00 C ATOM 223 CG1 ILE A 14 -3.806 -3.983 5.008 1.00 0.00 C ATOM 224 CG2 ILE A 14 -6.216 -3.343 4.669 1.00 0.00 C ATOM 225 CD1 ILE A 14 -4.052 -5.425 5.424 1.00 0.00 C ATOM 0 H ILE A 14 -3.110 -1.844 6.669 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.083 -1.615 4.057 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.122 -3.093 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.687 -3.945 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.866 -3.647 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.531 -4.356 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.995 -2.638 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.045 -3.272 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.218 -6.046 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.140 -5.481 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.974 -5.784 4.966 1.00 0.00 H new ATOM 237 N GLN A 15 -5.999 -0.165 6.357 1.00 0.00 N ATOM 238 CA GLN A 15 -7.060 0.827 6.483 1.00 0.00 C ATOM 239 C GLN A 15 -6.660 2.111 5.743 1.00 0.00 C ATOM 240 O GLN A 15 -7.457 2.659 4.983 1.00 0.00 O ATOM 241 CB GLN A 15 -7.389 1.058 7.961 1.00 0.00 C ATOM 242 CG GLN A 15 -8.176 -0.142 8.509 1.00 0.00 C ATOM 243 CD GLN A 15 -8.110 -0.213 10.028 1.00 0.00 C ATOM 244 OE1 GLN A 15 -9.014 0.229 10.726 1.00 0.00 O ATOM 245 NE2 GLN A 15 -7.025 -0.779 10.545 1.00 0.00 N ATOM 0 H GLN A 15 -5.620 -0.501 7.242 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.975 0.464 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.470 1.194 8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.973 1.971 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.217 -0.069 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.777 -1.063 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.293 -1.135 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.924 -0.857 11.557 1.00 0.00 H new ATOM 254 N SER A 16 -5.416 2.570 5.923 1.00 0.00 N ATOM 255 CA SER A 16 -4.917 3.749 5.219 1.00 0.00 C ATOM 256 C SER A 16 -4.982 3.545 3.697 1.00 0.00 C ATOM 257 O SER A 16 -5.395 4.446 2.970 1.00 0.00 O ATOM 258 CB SER A 16 -3.497 4.091 5.689 1.00 0.00 C ATOM 259 OG SER A 16 -3.088 5.353 5.195 1.00 0.00 O ATOM 0 H SER A 16 -4.738 2.140 6.552 1.00 0.00 H new ATOM 0 HA SER A 16 -5.558 4.597 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.462 4.094 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.803 3.322 5.350 1.00 0.00 H new ATOM 0 HG SER A 16 -2.320 5.237 4.597 1.00 0.00 H new ATOM 265 N LEU A 17 -4.571 2.371 3.211 1.00 0.00 N ATOM 266 CA LEU A 17 -4.598 2.015 1.796 1.00 0.00 C ATOM 267 C LEU A 17 -6.041 2.077 1.295 1.00 0.00 C ATOM 268 O LEU A 17 -6.352 2.849 0.394 1.00 0.00 O ATOM 269 CB LEU A 17 -3.986 0.618 1.624 1.00 0.00 C ATOM 270 CG LEU A 17 -4.236 -0.039 0.258 1.00 0.00 C ATOM 271 CD1 LEU A 17 -3.364 0.582 -0.835 1.00 0.00 C ATOM 272 CD2 LEU A 17 -3.957 -1.536 0.408 1.00 0.00 C ATOM 0 H LEU A 17 -4.203 1.628 3.805 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.009 2.715 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.910 0.687 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.383 -0.034 2.402 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.269 0.124 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.569 0.091 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.588 1.645 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.312 0.452 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.125 -2.035 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.922 -1.684 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.624 -1.957 1.160 1.00 0.00 H new ATOM 284 N VAL A 18 -6.918 1.261 1.881 1.00 0.00 N ATOM 285 CA VAL A 18 -8.343 1.199 1.573 1.00 0.00 C ATOM 286 C VAL A 18 -8.923 2.616 1.508 1.00 0.00 C ATOM 287 O VAL A 18 -9.621 2.963 0.551 1.00 0.00 O ATOM 288 CB VAL A 18 -9.052 0.334 2.632 1.00 0.00 C ATOM 289 CG1 VAL A 18 -10.578 0.475 2.569 1.00 0.00 C ATOM 290 CG2 VAL A 18 -8.695 -1.148 2.456 1.00 0.00 C ATOM 0 H VAL A 18 -6.643 0.602 2.609 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.500 0.737 0.598 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.705 0.693 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.033 -0.153 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.855 1.515 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.932 0.164 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.208 -1.738 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.005 -1.482 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.618 -1.278 2.562 1.00 0.00 H new ATOM 300 N HIS A 19 -8.632 3.435 2.524 1.00 0.00 N ATOM 301 CA HIS A 19 -9.069 4.819 2.561 1.00 0.00 C ATOM 302 C HIS A 19 -8.557 5.528 1.303 1.00 0.00 C ATOM 303 O HIS A 19 -9.346 6.042 0.518 1.00 0.00 O ATOM 304 CB HIS A 19 -8.572 5.500 3.853 1.00 0.00 C ATOM 305 CG HIS A 19 -8.733 7.004 3.864 1.00 0.00 C ATOM 306 ND1 HIS A 19 -9.728 7.720 4.493 1.00 0.00 N ATOM 307 CD2 HIS A 19 -7.978 7.898 3.152 1.00 0.00 C ATOM 308 CE1 HIS A 19 -9.591 9.008 4.127 1.00 0.00 C ATOM 309 NE2 HIS A 19 -8.565 9.155 3.273 1.00 0.00 N ATOM 0 H HIS A 19 -8.088 3.150 3.338 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.158 4.875 2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.113 5.082 4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.519 5.258 3.996 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.438 7.343 5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.083 7.668 2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.221 9.814 4.473 1.00 0.00 H new ATOM 317 N ALA A 20 -7.236 5.567 1.125 1.00 0.00 N ATOM 318 CA ALA A 20 -6.567 6.262 0.034 1.00 0.00 C ATOM 319 C ALA A 20 -7.091 5.875 -1.347 1.00 0.00 C ATOM 320 O ALA A 20 -7.301 6.737 -2.197 1.00 0.00 O ATOM 321 CB ALA A 20 -5.062 6.048 0.158 1.00 0.00 C ATOM 0 H ALA A 20 -6.586 5.100 1.757 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.792 7.325 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.553 6.565 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.716 6.444 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.840 4.982 0.105 1.00 0.00 H new ATOM 327 N CYS A 21 -7.300 4.582 -1.579 1.00 0.00 N ATOM 328 CA CYS A 21 -7.800 4.074 -2.847 1.00 0.00 C ATOM 329 C CYS A 21 -9.154 4.704 -3.165 1.00 0.00 C ATOM 330 O CYS A 21 -9.381 5.141 -4.292 1.00 0.00 O ATOM 331 CB CYS A 21 -7.892 2.542 -2.817 1.00 0.00 C ATOM 332 SG CYS A 21 -6.229 1.828 -2.913 1.00 0.00 S ATOM 0 H CYS A 21 -7.125 3.855 -0.886 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.102 4.348 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.386 2.216 -1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.499 2.188 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.079 0.950 -1.967 1.00 0.00 H new ATOM 338 N GLN A 22 -10.051 4.773 -2.179 1.00 0.00 N ATOM 339 CA GLN A 22 -11.377 5.359 -2.353 1.00 0.00 C ATOM 340 C GLN A 22 -11.325 6.889 -2.382 1.00 0.00 C ATOM 341 O GLN A 22 -12.094 7.527 -3.101 1.00 0.00 O ATOM 342 CB GLN A 22 -12.279 4.883 -1.211 1.00 0.00 C ATOM 343 CG GLN A 22 -12.571 3.385 -1.339 1.00 0.00 C ATOM 344 CD GLN A 22 -13.213 2.846 -0.070 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.402 2.545 -0.039 1.00 0.00 O ATOM 346 NE2 GLN A 22 -12.421 2.709 0.985 1.00 0.00 N ATOM 0 H GLN A 22 -9.876 4.423 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.778 5.033 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.798 5.084 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.214 5.443 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.232 3.211 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.645 2.846 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.437 2.970 0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.796 2.343 1.860 1.00 0.00 H new ATOM 355 N CYS A 23 -10.454 7.476 -1.561 1.00 0.00 N ATOM 356 CA CYS A 23 -10.290 8.904 -1.376 1.00 0.00 C ATOM 357 C CYS A 23 -9.854 9.609 -2.660 1.00 0.00 C ATOM 358 O CYS A 23 -8.686 9.949 -2.822 1.00 0.00 O ATOM 359 CB CYS A 23 -9.283 9.142 -0.244 1.00 0.00 C ATOM 360 SG CYS A 23 -9.053 10.870 0.227 1.00 0.00 S ATOM 0 H CYS A 23 -9.814 6.933 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.255 9.334 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.608 8.583 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.319 8.732 -0.545 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.398 10.931 1.348 1.00 0.00 H new ATOM 365 N ARG A 24 -10.789 9.921 -3.555 1.00 0.00 N ATOM 366 CA ARG A 24 -10.515 10.636 -4.790 1.00 0.00 C ATOM 367 C ARG A 24 -10.464 12.132 -4.469 1.00 0.00 C ATOM 368 O ARG A 24 -11.116 12.943 -5.122 1.00 0.00 O ATOM 369 CB ARG A 24 -11.592 10.279 -5.830 1.00 0.00 C ATOM 370 CG ARG A 24 -11.102 10.477 -7.272 1.00 0.00 C ATOM 371 CD ARG A 24 -10.474 9.210 -7.876 1.00 0.00 C ATOM 372 NE ARG A 24 -9.331 8.708 -7.096 1.00 0.00 N ATOM 373 CZ ARG A 24 -9.346 7.676 -6.235 1.00 0.00 C ATOM 374 NH1 ARG A 24 -10.462 6.993 -5.969 1.00 0.00 N ATOM 375 NH2 ARG A 24 -8.226 7.304 -5.611 1.00 0.00 N ATOM 0 H ARG A 24 -11.773 9.678 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.555 10.352 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.897 9.242 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.475 10.896 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.940 10.792 -7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.369 11.284 -7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.233 8.430 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.147 9.423 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.441 9.190 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.338 7.250 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.439 6.215 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.354 7.804 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.242 6.520 -4.958 1.00 0.00 H new ATOM 389 N ASN A 25 -9.693 12.487 -3.438 1.00 0.00 N ATOM 390 CA ASN A 25 -9.534 13.837 -2.945 1.00 0.00 C ATOM 391 C ASN A 25 -8.040 14.077 -2.754 1.00 0.00 C ATOM 392 O ASN A 25 -7.488 13.849 -1.679 1.00 0.00 O ATOM 393 CB ASN A 25 -10.332 14.017 -1.652 1.00 0.00 C ATOM 394 CG ASN A 25 -10.260 15.465 -1.185 1.00 0.00 C ATOM 395 OD1 ASN A 25 -10.874 16.344 -1.782 1.00 0.00 O ATOM 396 ND2 ASN A 25 -9.486 15.736 -0.142 1.00 0.00 N ATOM 0 H ASN A 25 -9.145 11.807 -2.910 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.923 14.573 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.371 13.731 -1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.938 13.358 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.389 16.697 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.988 14.983 0.333 1.00 0.00 H new ATOM 403 N ALA A 26 -7.379 14.524 -3.825 1.00 0.00 N ATOM 404 CA ALA A 26 -5.939 14.753 -3.900 1.00 0.00 C ATOM 405 C ALA A 26 -5.386 15.630 -2.779 1.00 0.00 C ATOM 406 O ALA A 26 -4.210 15.549 -2.440 1.00 0.00 O ATOM 407 CB ALA A 26 -5.620 15.388 -5.256 1.00 0.00 C ATOM 0 H ALA A 26 -7.856 14.745 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.455 13.784 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.547 15.567 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.932 14.716 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.153 16.334 -5.349 1.00 0.00 H new ATOM 413 N ASN A 27 -6.250 16.471 -2.218 1.00 0.00 N ATOM 414 CA ASN A 27 -5.920 17.413 -1.149 1.00 0.00 C ATOM 415 C ASN A 27 -6.146 16.830 0.254 1.00 0.00 C ATOM 416 O ASN A 27 -6.062 17.570 1.231 1.00 0.00 O ATOM 417 CB ASN A 27 -6.729 18.705 -1.339 1.00 0.00 C ATOM 418 CG ASN A 27 -8.220 18.416 -1.246 1.00 0.00 C ATOM 419 OD1 ASN A 27 -8.802 18.423 -0.166 1.00 0.00 O ATOM 420 ND2 ASN A 27 -8.849 18.119 -2.381 1.00 0.00 N ATOM 0 H ASN A 27 -7.229 16.519 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.854 17.629 -1.219 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.445 19.434 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.498 19.147 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.843 17.889 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.337 18.122 -3.263 1.00 0.00 H new ATOM 427 N CYS A 28 -6.443 15.529 0.384 1.00 0.00 N ATOM 428 CA CYS A 28 -6.687 14.915 1.686 1.00 0.00 C ATOM 429 C CYS A 28 -5.516 15.150 2.647 1.00 0.00 C ATOM 430 O CYS A 28 -4.367 14.864 2.315 1.00 0.00 O ATOM 431 CB CYS A 28 -6.961 13.422 1.515 1.00 0.00 C ATOM 432 SG CYS A 28 -7.384 12.571 3.056 1.00 0.00 S ATOM 0 H CYS A 28 -6.519 14.884 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.565 15.387 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.777 13.292 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.081 12.949 1.080 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.579 12.067 2.960 1.00 0.00 H new ATOM 437 N SER A 29 -5.805 15.685 3.833 1.00 0.00 N ATOM 438 CA SER A 29 -4.816 16.040 4.835 1.00 0.00 C ATOM 439 C SER A 29 -4.034 14.837 5.367 1.00 0.00 C ATOM 440 O SER A 29 -2.865 14.978 5.711 1.00 0.00 O ATOM 441 CB SER A 29 -5.540 16.763 5.974 1.00 0.00 C ATOM 442 OG SER A 29 -6.587 17.554 5.437 1.00 0.00 O ATOM 0 H SER A 29 -6.761 15.887 4.125 1.00 0.00 H new ATOM 0 HA SER A 29 -4.072 16.686 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.943 16.039 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.840 17.391 6.524 1.00 0.00 H new ATOM 0 HG SER A 29 -7.053 18.017 6.164 1.00 0.00 H new ATOM 448 N LEU A 30 -4.690 13.674 5.471 1.00 0.00 N ATOM 449 CA LEU A 30 -4.107 12.442 6.003 1.00 0.00 C ATOM 450 C LEU A 30 -2.722 12.148 5.401 1.00 0.00 C ATOM 451 O LEU A 30 -2.646 11.736 4.239 1.00 0.00 O ATOM 452 CB LEU A 30 -5.040 11.252 5.722 1.00 0.00 C ATOM 453 CG LEU A 30 -6.034 10.907 6.835 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.102 9.976 6.255 1.00 0.00 C ATOM 455 CD2 LEU A 30 -5.317 10.169 7.974 1.00 0.00 C ATOM 0 H LEU A 30 -5.662 13.564 5.181 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.987 12.583 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.601 11.462 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.427 10.373 5.523 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.478 11.824 7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.821 9.718 7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.617 10.479 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.629 9.068 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.033 9.929 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.877 9.249 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.531 10.805 8.382 1.00 0.00 H new ATOM 467 N PRO A 31 -1.630 12.295 6.174 1.00 0.00 N ATOM 468 CA PRO A 31 -0.290 11.963 5.714 1.00 0.00 C ATOM 469 C PRO A 31 -0.260 10.532 5.177 1.00 0.00 C ATOM 470 O PRO A 31 0.278 10.273 4.106 1.00 0.00 O ATOM 471 CB PRO A 31 0.628 12.126 6.932 1.00 0.00 C ATOM 472 CG PRO A 31 -0.129 13.118 7.812 1.00 0.00 C ATOM 473 CD PRO A 31 -1.590 12.758 7.551 1.00 0.00 C ATOM 0 HA PRO A 31 0.035 12.609 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.790 11.177 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.609 12.507 6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.133 13.007 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.088 14.150 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.933 11.983 8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.240 13.621 7.695 1.00 0.00 H new ATOM 481 N SER A 32 -0.856 9.602 5.927 1.00 0.00 N ATOM 482 CA SER A 32 -0.938 8.195 5.589 1.00 0.00 C ATOM 483 C SER A 32 -1.626 7.986 4.236 1.00 0.00 C ATOM 484 O SER A 32 -1.178 7.175 3.425 1.00 0.00 O ATOM 485 CB SER A 32 -1.701 7.498 6.724 1.00 0.00 C ATOM 486 OG SER A 32 -1.463 8.174 7.950 1.00 0.00 O ATOM 0 H SER A 32 -1.307 9.824 6.814 1.00 0.00 H new ATOM 0 HA SER A 32 0.060 7.768 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.769 7.489 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.383 6.459 6.804 1.00 0.00 H new ATOM 0 HG SER A 32 -1.953 7.726 8.671 1.00 0.00 H new ATOM 492 N CYS A 33 -2.704 8.733 3.983 1.00 0.00 N ATOM 493 CA CYS A 33 -3.437 8.646 2.729 1.00 0.00 C ATOM 494 C CYS A 33 -2.524 9.090 1.593 1.00 0.00 C ATOM 495 O CYS A 33 -2.357 8.377 0.605 1.00 0.00 O ATOM 496 CB CYS A 33 -4.717 9.478 2.792 1.00 0.00 C ATOM 497 SG CYS A 33 -5.614 9.729 1.243 1.00 0.00 S ATOM 0 H CYS A 33 -3.087 9.411 4.642 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.742 7.615 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.394 9.003 3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.464 10.457 3.199 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.385 10.770 1.352 1.00 0.00 H new ATOM 502 N GLN A 34 -1.915 10.269 1.752 1.00 0.00 N ATOM 503 CA GLN A 34 -0.999 10.811 0.760 1.00 0.00 C ATOM 504 C GLN A 34 0.114 9.796 0.476 1.00 0.00 C ATOM 505 O GLN A 34 0.371 9.453 -0.679 1.00 0.00 O ATOM 506 CB GLN A 34 -0.444 12.159 1.236 1.00 0.00 C ATOM 507 CG GLN A 34 -1.550 13.223 1.292 1.00 0.00 C ATOM 508 CD GLN A 34 -1.980 13.744 -0.078 1.00 0.00 C ATOM 509 OE1 GLN A 34 -1.355 13.464 -1.097 1.00 0.00 O ATOM 510 NE2 GLN A 34 -3.059 14.509 -0.120 1.00 0.00 N ATOM 0 H GLN A 34 -2.046 10.866 2.568 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.530 10.991 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.004 12.043 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.348 12.488 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.419 12.803 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.203 14.062 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.562 14.728 0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.387 14.879 -1.012 1.00 0.00 H new ATOM 519 N LYS A 35 0.756 9.293 1.533 1.00 0.00 N ATOM 520 CA LYS A 35 1.816 8.303 1.442 1.00 0.00 C ATOM 521 C LYS A 35 1.337 7.093 0.638 1.00 0.00 C ATOM 522 O LYS A 35 1.995 6.695 -0.321 1.00 0.00 O ATOM 523 CB LYS A 35 2.284 7.912 2.855 1.00 0.00 C ATOM 524 CG LYS A 35 3.565 7.061 2.865 1.00 0.00 C ATOM 525 CD LYS A 35 4.850 7.880 3.065 1.00 0.00 C ATOM 526 CE LYS A 35 5.106 8.896 1.947 1.00 0.00 C ATOM 527 NZ LYS A 35 6.436 9.516 2.082 1.00 0.00 N ATOM 0 H LYS A 35 0.545 9.572 2.491 1.00 0.00 H new ATOM 0 HA LYS A 35 2.672 8.725 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.455 8.818 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.487 7.360 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.491 6.318 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.635 6.515 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.791 8.407 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.699 7.200 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.029 8.402 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.338 9.669 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.580 10.199 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.499 10.007 2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.169 8.780 2.034 1.00 0.00 H new ATOM 541 N MET A 36 0.188 6.517 1.004 1.00 0.00 N ATOM 542 CA MET A 36 -0.359 5.382 0.279 1.00 0.00 C ATOM 543 C MET A 36 -0.552 5.736 -1.195 1.00 0.00 C ATOM 544 O MET A 36 -0.154 4.956 -2.057 1.00 0.00 O ATOM 545 CB MET A 36 -1.638 4.865 0.949 1.00 0.00 C ATOM 546 CG MET A 36 -1.291 4.106 2.237 1.00 0.00 C ATOM 547 SD MET A 36 -0.406 2.542 1.992 1.00 0.00 S ATOM 548 CE MET A 36 0.042 2.168 3.697 1.00 0.00 C ATOM 0 H MET A 36 -0.375 6.822 1.798 1.00 0.00 H new ATOM 0 HA MET A 36 0.354 4.558 0.314 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.301 5.700 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.176 4.209 0.265 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.684 4.754 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.214 3.902 2.780 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.597 1.230 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.663 2.971 4.095 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.862 2.076 4.299 1.00 0.00 H new ATOM 558 N LYS A 37 -1.100 6.915 -1.506 1.00 0.00 N ATOM 559 CA LYS A 37 -1.218 7.340 -2.898 1.00 0.00 C ATOM 560 C LYS A 37 0.161 7.326 -3.570 1.00 0.00 C ATOM 561 O LYS A 37 0.297 6.787 -4.669 1.00 0.00 O ATOM 562 CB LYS A 37 -1.895 8.712 -3.014 1.00 0.00 C ATOM 563 CG LYS A 37 -3.381 8.629 -2.649 1.00 0.00 C ATOM 564 CD LYS A 37 -4.052 9.998 -2.800 1.00 0.00 C ATOM 565 CE LYS A 37 -5.572 9.906 -2.612 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.205 9.084 -3.656 1.00 0.00 N ATOM 0 H LYS A 37 -1.463 7.580 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.860 6.632 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.396 9.424 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.788 9.088 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.878 7.902 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.490 8.276 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.636 10.691 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.831 10.405 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.792 9.481 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.001 10.908 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.208 9.346 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.724 9.245 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.131 8.079 -3.399 1.00 0.00 H new ATOM 580 N ARG A 38 1.191 7.879 -2.917 1.00 0.00 N ATOM 581 CA ARG A 38 2.542 7.857 -3.474 1.00 0.00 C ATOM 582 C ARG A 38 3.002 6.420 -3.727 1.00 0.00 C ATOM 583 O ARG A 38 3.532 6.136 -4.794 1.00 0.00 O ATOM 584 CB ARG A 38 3.572 8.596 -2.600 1.00 0.00 C ATOM 585 CG ARG A 38 3.253 10.064 -2.292 1.00 0.00 C ATOM 586 CD ARG A 38 2.790 10.858 -3.518 1.00 0.00 C ATOM 587 NE ARG A 38 2.464 12.245 -3.168 1.00 0.00 N ATOM 588 CZ ARG A 38 1.298 12.632 -2.631 1.00 0.00 C ATOM 589 NH1 ARG A 38 0.388 11.741 -2.230 1.00 0.00 N ATOM 590 NH2 ARG A 38 1.015 13.928 -2.477 1.00 0.00 N ATOM 0 H ARG A 38 1.113 8.342 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 38 2.487 8.394 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.672 8.060 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.541 8.551 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.478 10.107 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.140 10.540 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.573 10.847 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.915 10.377 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 38 3.169 12.960 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.573 10.743 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.492 12.058 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.689 14.635 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.125 14.210 -2.067 1.00 0.00 H new ATOM 604 N VAL A 39 2.808 5.510 -2.769 1.00 0.00 N ATOM 605 CA VAL A 39 3.207 4.113 -2.919 1.00 0.00 C ATOM 606 C VAL A 39 2.470 3.465 -4.105 1.00 0.00 C ATOM 607 O VAL A 39 3.084 2.778 -4.927 1.00 0.00 O ATOM 608 CB VAL A 39 2.984 3.365 -1.591 1.00 0.00 C ATOM 609 CG1 VAL A 39 3.215 1.859 -1.743 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.943 3.884 -0.511 1.00 0.00 C ATOM 0 H VAL A 39 2.371 5.722 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 39 4.271 4.054 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 39 1.949 3.545 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.048 1.367 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.522 1.458 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.239 1.679 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.770 3.343 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.973 3.730 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.769 4.948 -0.350 1.00 0.00 H new ATOM 620 N VAL A 40 1.156 3.680 -4.197 1.00 0.00 N ATOM 621 CA VAL A 40 0.331 3.144 -5.272 1.00 0.00 C ATOM 622 C VAL A 40 0.852 3.656 -6.620 1.00 0.00 C ATOM 623 O VAL A 40 1.178 2.862 -7.502 1.00 0.00 O ATOM 624 CB VAL A 40 -1.151 3.497 -5.034 1.00 0.00 C ATOM 625 CG1 VAL A 40 -2.020 3.186 -6.260 1.00 0.00 C ATOM 626 CG2 VAL A 40 -1.705 2.698 -3.846 1.00 0.00 C ATOM 0 H VAL A 40 0.634 4.236 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 40 0.396 2.056 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.189 4.567 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.056 3.450 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.665 3.764 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.957 2.123 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.752 2.957 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.623 1.631 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.134 2.937 -2.949 1.00 0.00 H new ATOM 636 N GLN A 41 0.943 4.980 -6.777 1.00 0.00 N ATOM 637 CA GLN A 41 1.420 5.603 -8.005 1.00 0.00 C ATOM 638 C GLN A 41 2.838 5.134 -8.338 1.00 0.00 C ATOM 639 O GLN A 41 3.123 4.782 -9.484 1.00 0.00 O ATOM 640 CB GLN A 41 1.339 7.132 -7.886 1.00 0.00 C ATOM 641 CG GLN A 41 -0.114 7.630 -7.834 1.00 0.00 C ATOM 642 CD GLN A 41 -0.869 7.356 -9.131 1.00 0.00 C ATOM 643 OE1 GLN A 41 -1.789 6.546 -9.169 1.00 0.00 O ATOM 644 NE2 GLN A 41 -0.486 8.024 -10.216 1.00 0.00 N ATOM 0 H GLN A 41 0.686 5.648 -6.050 1.00 0.00 H new ATOM 0 HA GLN A 41 0.778 5.296 -8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.865 7.454 -6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.849 7.589 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.632 7.146 -7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.121 8.701 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.282 8.693 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.961 7.868 -11.105 1.00 0.00 H new ATOM 653 N HIS A 42 3.722 5.102 -7.335 1.00 0.00 N ATOM 654 CA HIS A 42 5.082 4.618 -7.495 1.00 0.00 C ATOM 655 C HIS A 42 5.020 3.233 -8.124 1.00 0.00 C ATOM 656 O HIS A 42 5.664 2.994 -9.137 1.00 0.00 O ATOM 657 CB HIS A 42 5.837 4.572 -6.151 1.00 0.00 C ATOM 658 CG HIS A 42 7.156 3.841 -6.254 1.00 0.00 C ATOM 659 ND1 HIS A 42 8.341 4.393 -6.693 1.00 0.00 N ATOM 660 CD2 HIS A 42 7.295 2.478 -6.322 1.00 0.00 C ATOM 661 CE1 HIS A 42 9.154 3.382 -7.045 1.00 0.00 C ATOM 662 NE2 HIS A 42 8.549 2.198 -6.862 1.00 0.00 N ATOM 0 H HIS A 42 3.505 5.414 -6.388 1.00 0.00 H new ATOM 0 HA HIS A 42 5.634 5.304 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.015 5.589 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.212 4.084 -5.403 1.00 0.00 H new ATOM 0 HD1 HIS A 42 8.561 5.388 -6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.561 1.749 -6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.158 3.506 -7.424 1.00 0.00 H new ATOM 670 N THR A 43 4.256 2.322 -7.517 1.00 0.00 N ATOM 671 CA THR A 43 4.143 0.960 -8.010 1.00 0.00 C ATOM 672 C THR A 43 3.632 0.936 -9.449 1.00 0.00 C ATOM 673 O THR A 43 4.220 0.282 -10.307 1.00 0.00 O ATOM 674 CB THR A 43 3.264 0.133 -7.068 1.00 0.00 C ATOM 675 OG1 THR A 43 3.796 0.193 -5.759 1.00 0.00 O ATOM 676 CG2 THR A 43 3.228 -1.319 -7.553 1.00 0.00 C ATOM 0 H THR A 43 3.706 2.511 -6.679 1.00 0.00 H new ATOM 0 HA THR A 43 5.133 0.505 -8.025 1.00 0.00 H new ATOM 0 HB THR A 43 2.250 0.533 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.562 1.052 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.603 -1.911 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.816 -1.356 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.239 -1.726 -7.559 1.00 0.00 H new ATOM 684 N LYS A 44 2.534 1.649 -9.697 1.00 0.00 N ATOM 685 CA LYS A 44 1.911 1.769 -11.007 1.00 0.00 C ATOM 686 C LYS A 44 2.957 2.140 -12.068 1.00 0.00 C ATOM 687 O LYS A 44 2.996 1.532 -13.135 1.00 0.00 O ATOM 688 CB LYS A 44 0.773 2.794 -10.905 1.00 0.00 C ATOM 689 CG LYS A 44 -0.138 2.833 -12.137 1.00 0.00 C ATOM 690 CD LYS A 44 -1.205 3.932 -11.999 1.00 0.00 C ATOM 691 CE LYS A 44 -2.254 3.606 -10.925 1.00 0.00 C ATOM 692 NZ LYS A 44 -3.241 4.692 -10.795 1.00 0.00 N ATOM 0 H LYS A 44 2.043 2.171 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 44 1.487 0.816 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.170 2.567 -10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.201 3.784 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.460 3.012 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.622 1.865 -12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.719 4.876 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.704 4.071 -12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.764 2.677 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.759 3.445 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.107 4.323 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.846 5.451 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.468 5.070 -11.737 1.00 0.00 H new ATOM 706 N GLY A 45 3.805 3.131 -11.778 1.00 0.00 N ATOM 707 CA GLY A 45 4.856 3.552 -12.694 1.00 0.00 C ATOM 708 C GLY A 45 5.992 2.526 -12.773 1.00 0.00 C ATOM 709 O GLY A 45 6.446 2.154 -13.856 1.00 0.00 O ATOM 0 H GLY A 45 3.779 3.658 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.433 3.702 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.257 4.512 -12.370 1.00 0.00 H new ATOM 713 N CYS A 46 6.482 2.085 -11.613 1.00 0.00 N ATOM 714 CA CYS A 46 7.580 1.154 -11.446 1.00 0.00 C ATOM 715 C CYS A 46 7.181 -0.263 -11.862 1.00 0.00 C ATOM 716 O CYS A 46 7.124 -1.170 -11.034 1.00 0.00 O ATOM 717 CB CYS A 46 8.067 1.199 -9.992 1.00 0.00 C ATOM 718 SG CYS A 46 9.558 0.223 -9.643 1.00 0.00 S ATOM 0 H CYS A 46 6.096 2.390 -10.720 1.00 0.00 H new ATOM 0 HA CYS A 46 8.399 1.451 -12.101 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.261 2.237 -9.723 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.263 0.847 -9.346 1.00 0.00 H new ATOM 0 HG CYS A 46 9.689 0.076 -8.358 1.00 0.00 H new ATOM 723 N LYS A 47 6.960 -0.464 -13.166 1.00 0.00 N ATOM 724 CA LYS A 47 6.597 -1.739 -13.780 1.00 0.00 C ATOM 725 C LYS A 47 7.532 -2.868 -13.329 1.00 0.00 C ATOM 726 O LYS A 47 7.125 -4.026 -13.262 1.00 0.00 O ATOM 727 CB LYS A 47 6.599 -1.570 -15.306 1.00 0.00 C ATOM 728 CG LYS A 47 6.023 -2.797 -16.025 1.00 0.00 C ATOM 729 CD LYS A 47 5.825 -2.549 -17.529 1.00 0.00 C ATOM 730 CE LYS A 47 7.114 -2.177 -18.274 1.00 0.00 C ATOM 731 NZ LYS A 47 8.167 -3.194 -18.103 1.00 0.00 N ATOM 0 H LYS A 47 7.033 0.291 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 47 5.597 -2.026 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.017 -0.688 -15.573 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.619 -1.395 -15.649 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.692 -3.646 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.068 -3.065 -15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.401 -3.445 -17.982 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.096 -1.749 -17.662 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.897 -2.056 -19.335 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.477 -1.215 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.989 -2.945 -18.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.454 -3.232 -17.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.802 -4.123 -18.394 1.00 0.00 H new ATOM 745 N ARG A 48 8.779 -2.515 -12.998 1.00 0.00 N ATOM 746 CA ARG A 48 9.785 -3.434 -12.481 1.00 0.00 C ATOM 747 C ARG A 48 9.248 -4.243 -11.294 1.00 0.00 C ATOM 748 O ARG A 48 9.565 -5.424 -11.168 1.00 0.00 O ATOM 749 CB ARG A 48 11.032 -2.660 -12.031 1.00 0.00 C ATOM 750 CG ARG A 48 11.670 -1.860 -13.175 1.00 0.00 C ATOM 751 CD ARG A 48 12.971 -1.206 -12.700 1.00 0.00 C ATOM 752 NE ARG A 48 13.606 -0.437 -13.779 1.00 0.00 N ATOM 753 CZ ARG A 48 13.263 0.801 -14.163 1.00 0.00 C ATOM 754 NH1 ARG A 48 12.252 1.443 -13.567 1.00 0.00 N ATOM 755 NH2 ARG A 48 13.941 1.393 -15.152 1.00 0.00 N ATOM 0 H ARG A 48 9.120 -1.558 -13.086 1.00 0.00 H new ATOM 0 HA ARG A 48 10.043 -4.121 -13.287 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.762 -1.980 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.764 -3.359 -11.628 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.872 -2.518 -14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.976 -1.095 -13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.763 -0.549 -11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.658 -1.974 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 48 14.374 -0.884 -14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.734 0.991 -12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.999 2.385 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.711 0.903 -15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.688 2.335 -15.451 1.00 0.00 H new ATOM 769 N LYS A 49 8.456 -3.605 -10.426 1.00 0.00 N ATOM 770 CA LYS A 49 7.861 -4.196 -9.237 1.00 0.00 C ATOM 771 C LYS A 49 8.786 -5.218 -8.556 1.00 0.00 C ATOM 772 O LYS A 49 9.969 -4.953 -8.334 1.00 0.00 O ATOM 773 CB LYS A 49 6.458 -4.743 -9.562 1.00 0.00 C ATOM 774 CG LYS A 49 5.539 -3.659 -10.143 1.00 0.00 C ATOM 775 CD LYS A 49 4.090 -4.132 -10.319 1.00 0.00 C ATOM 776 CE LYS A 49 3.947 -5.303 -11.301 1.00 0.00 C ATOM 777 NZ LYS A 49 4.468 -4.972 -12.642 1.00 0.00 N ATOM 0 H LYS A 49 8.206 -2.623 -10.543 1.00 0.00 H new ATOM 0 HA LYS A 49 7.734 -3.413 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.545 -5.564 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.009 -5.152 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.554 -2.788 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.930 -3.338 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.692 -4.430 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.483 -3.297 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.479 -6.170 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.896 -5.583 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.290 -5.766 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.991 -4.120 -12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.491 -4.796 -12.583 1.00 0.00 H new ATOM 791 N THR A 50 8.264 -6.402 -8.241 1.00 0.00 N ATOM 792 CA THR A 50 8.998 -7.485 -7.623 1.00 0.00 C ATOM 793 C THR A 50 9.982 -8.132 -8.599 1.00 0.00 C ATOM 794 O THR A 50 10.923 -8.784 -8.155 1.00 0.00 O ATOM 795 CB THR A 50 7.966 -8.503 -7.118 1.00 0.00 C ATOM 796 OG1 THR A 50 6.860 -8.519 -8.008 1.00 0.00 O ATOM 797 CG2 THR A 50 7.462 -8.093 -5.733 1.00 0.00 C ATOM 0 H THR A 50 7.286 -6.633 -8.418 1.00 0.00 H new ATOM 0 HA THR A 50 9.600 -7.106 -6.797 1.00 0.00 H new ATOM 0 HB THR A 50 8.432 -9.487 -7.064 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.197 -9.168 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.730 -8.821 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.300 -8.057 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.996 -7.109 -5.792 1.00 0.00 H new ATOM 805 N ASN A 51 9.829 -7.924 -9.914 1.00 0.00 N ATOM 806 CA ASN A 51 10.761 -8.493 -10.884 1.00 0.00 C ATOM 807 C ASN A 51 12.125 -7.846 -10.677 1.00 0.00 C ATOM 808 O ASN A 51 13.141 -8.532 -10.628 1.00 0.00 O ATOM 809 CB ASN A 51 10.264 -8.343 -12.327 1.00 0.00 C ATOM 810 CG ASN A 51 11.298 -8.880 -13.311 1.00 0.00 C ATOM 811 OD1 ASN A 51 11.955 -8.115 -14.007 1.00 0.00 O ATOM 812 ND2 ASN A 51 11.452 -10.199 -13.384 1.00 0.00 N ATOM 0 H ASN A 51 9.075 -7.371 -10.323 1.00 0.00 H new ATOM 0 HA ASN A 51 10.840 -9.567 -10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.324 -8.880 -12.451 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.062 -7.293 -12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.131 -10.598 -14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.891 -10.812 -12.792 1.00 0.00 H new ATOM 819 N GLY A 52 12.130 -6.527 -10.473 1.00 0.00 N ATOM 820 CA GLY A 52 13.338 -5.793 -10.133 1.00 0.00 C ATOM 821 C GLY A 52 13.548 -5.754 -8.615 1.00 0.00 C ATOM 822 O GLY A 52 14.285 -4.899 -8.132 1.00 0.00 O ATOM 0 H GLY A 52 11.296 -5.944 -10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.199 -6.261 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.271 -4.776 -10.521 1.00 0.00 H new ATOM 826 N GLY A 53 12.904 -6.656 -7.859 1.00 0.00 N ATOM 827 CA GLY A 53 12.992 -6.726 -6.406 1.00 0.00 C ATOM 828 C GLY A 53 12.754 -5.373 -5.734 1.00 0.00 C ATOM 829 O GLY A 53 13.392 -5.065 -4.729 1.00 0.00 O ATOM 0 H GLY A 53 12.295 -7.371 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.260 -7.444 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.976 -7.099 -6.123 1.00 0.00 H new ATOM 833 N CYS A 54 11.844 -4.555 -6.273 1.00 0.00 N ATOM 834 CA CYS A 54 11.590 -3.235 -5.724 1.00 0.00 C ATOM 835 C CYS A 54 10.896 -3.354 -4.356 1.00 0.00 C ATOM 836 O CYS A 54 9.806 -3.926 -4.285 1.00 0.00 O ATOM 837 CB CYS A 54 10.758 -2.402 -6.700 1.00 0.00 C ATOM 838 SG CYS A 54 10.672 -0.668 -6.171 1.00 0.00 S ATOM 0 H CYS A 54 11.276 -4.790 -7.087 1.00 0.00 H new ATOM 0 HA CYS A 54 12.541 -2.723 -5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.195 -2.460 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.752 -2.815 -6.769 1.00 0.00 H new ATOM 0 HG CYS A 54 11.200 0.091 -7.085 1.00 0.00 H new ATOM 843 N PRO A 55 11.487 -2.830 -3.266 1.00 0.00 N ATOM 844 CA PRO A 55 10.924 -2.956 -1.930 1.00 0.00 C ATOM 845 C PRO A 55 9.560 -2.278 -1.799 1.00 0.00 C ATOM 846 O PRO A 55 8.641 -2.865 -1.237 1.00 0.00 O ATOM 847 CB PRO A 55 11.966 -2.372 -0.972 1.00 0.00 C ATOM 848 CG PRO A 55 12.786 -1.428 -1.850 1.00 0.00 C ATOM 849 CD PRO A 55 12.750 -2.108 -3.218 1.00 0.00 C ATOM 0 HA PRO A 55 10.723 -4.001 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.495 -1.840 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.589 -3.153 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.350 -0.429 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.806 -1.318 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.812 -1.374 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.594 -2.787 -3.340 1.00 0.00 H new ATOM 857 N VAL A 56 9.417 -1.051 -2.308 1.00 0.00 N ATOM 858 CA VAL A 56 8.162 -0.307 -2.233 1.00 0.00 C ATOM 859 C VAL A 56 7.026 -1.134 -2.839 1.00 0.00 C ATOM 860 O VAL A 56 5.992 -1.365 -2.210 1.00 0.00 O ATOM 861 CB VAL A 56 8.313 1.050 -2.949 1.00 0.00 C ATOM 862 CG1 VAL A 56 6.982 1.813 -2.961 1.00 0.00 C ATOM 863 CG2 VAL A 56 9.376 1.918 -2.260 1.00 0.00 C ATOM 0 H VAL A 56 10.168 -0.549 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 56 7.916 -0.113 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 56 8.622 0.844 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.114 2.767 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.229 1.223 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.656 1.992 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.464 2.870 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.084 2.099 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.336 1.402 -2.281 1.00 0.00 H new ATOM 873 N CYS A 57 7.231 -1.583 -4.078 1.00 0.00 N ATOM 874 CA CYS A 57 6.237 -2.364 -4.786 1.00 0.00 C ATOM 875 C CYS A 57 5.972 -3.675 -4.052 1.00 0.00 C ATOM 876 O CYS A 57 4.816 -4.033 -3.842 1.00 0.00 O ATOM 877 CB CYS A 57 6.687 -2.621 -6.220 1.00 0.00 C ATOM 878 SG CYS A 57 7.144 -1.139 -7.157 1.00 0.00 S ATOM 0 H CYS A 57 8.086 -1.413 -4.608 1.00 0.00 H new ATOM 0 HA CYS A 57 5.305 -1.800 -4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.541 -3.298 -6.201 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.885 -3.135 -6.750 1.00 0.00 H new ATOM 0 HG CYS A 57 8.384 -0.835 -6.911 1.00 0.00 H new ATOM 883 N LYS A 58 7.030 -4.388 -3.649 1.00 0.00 N ATOM 884 CA LYS A 58 6.889 -5.636 -2.908 1.00 0.00 C ATOM 885 C LYS A 58 6.014 -5.409 -1.671 1.00 0.00 C ATOM 886 O LYS A 58 5.093 -6.182 -1.412 1.00 0.00 O ATOM 887 CB LYS A 58 8.278 -6.182 -2.550 1.00 0.00 C ATOM 888 CG LYS A 58 8.197 -7.557 -1.871 1.00 0.00 C ATOM 889 CD LYS A 58 9.575 -8.226 -1.758 1.00 0.00 C ATOM 890 CE LYS A 58 10.552 -7.408 -0.905 1.00 0.00 C ATOM 891 NZ LYS A 58 11.814 -8.137 -0.688 1.00 0.00 N ATOM 0 H LYS A 58 7.997 -4.116 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 58 6.391 -6.385 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.882 -6.259 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.784 -5.480 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.766 -7.445 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.526 -8.202 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.460 -9.219 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.993 -8.362 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.759 -6.457 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.093 -7.177 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.454 -7.558 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.618 -9.033 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.262 -8.335 -1.605 1.00 0.00 H new ATOM 905 N GLN A 59 6.286 -4.338 -0.922 1.00 0.00 N ATOM 906 CA GLN A 59 5.518 -3.974 0.255 1.00 0.00 C ATOM 907 C GLN A 59 4.051 -3.760 -0.125 1.00 0.00 C ATOM 908 O GLN A 59 3.172 -4.333 0.513 1.00 0.00 O ATOM 909 CB GLN A 59 6.140 -2.743 0.930 1.00 0.00 C ATOM 910 CG GLN A 59 5.400 -2.362 2.220 1.00 0.00 C ATOM 911 CD GLN A 59 6.109 -1.246 2.980 1.00 0.00 C ATOM 912 OE1 GLN A 59 6.385 -1.373 4.168 1.00 0.00 O ATOM 913 NE2 GLN A 59 6.413 -0.139 2.308 1.00 0.00 N ATOM 0 H GLN A 59 7.054 -3.698 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 59 5.547 -4.785 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.187 -2.944 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.120 -1.901 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.386 -2.046 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.315 -3.239 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.172 -0.060 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.887 0.630 2.781 1.00 0.00 H new ATOM 922 N LEU A 60 3.773 -2.954 -1.157 1.00 0.00 N ATOM 923 CA LEU A 60 2.396 -2.721 -1.586 1.00 0.00 C ATOM 924 C LEU A 60 1.714 -4.047 -1.937 1.00 0.00 C ATOM 925 O LEU A 60 0.611 -4.321 -1.473 1.00 0.00 O ATOM 926 CB LEU A 60 2.347 -1.744 -2.768 1.00 0.00 C ATOM 927 CG LEU A 60 0.906 -1.423 -3.221 1.00 0.00 C ATOM 928 CD1 LEU A 60 0.092 -0.652 -2.174 1.00 0.00 C ATOM 929 CD2 LEU A 60 0.948 -0.577 -4.491 1.00 0.00 C ATOM 0 H LEU A 60 4.478 -2.459 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 60 1.851 -2.266 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.850 -0.818 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.901 -2.167 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 60 0.419 -2.384 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.909 -0.461 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.022 -1.242 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.584 0.296 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.069 -0.350 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.481 0.352 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.462 -1.128 -5.279 1.00 0.00 H new ATOM 941 N ILE A 61 2.369 -4.876 -2.751 1.00 0.00 N ATOM 942 CA ILE A 61 1.843 -6.170 -3.162 1.00 0.00 C ATOM 943 C ILE A 61 1.532 -7.022 -1.929 1.00 0.00 C ATOM 944 O ILE A 61 0.443 -7.576 -1.826 1.00 0.00 O ATOM 945 CB ILE A 61 2.810 -6.844 -4.155 1.00 0.00 C ATOM 946 CG1 ILE A 61 2.798 -6.059 -5.482 1.00 0.00 C ATOM 947 CG2 ILE A 61 2.412 -8.306 -4.412 1.00 0.00 C ATOM 948 CD1 ILE A 61 4.015 -6.361 -6.360 1.00 0.00 C ATOM 0 H ILE A 61 3.286 -4.663 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 61 0.900 -6.044 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 61 3.812 -6.839 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.889 -6.300 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.767 -4.991 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.112 -8.755 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.436 -8.860 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.405 -8.341 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.953 -5.780 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.926 -6.094 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.034 -7.424 -6.602 1.00 0.00 H new ATOM 960 N ALA A 62 2.465 -7.115 -0.982 1.00 0.00 N ATOM 961 CA ALA A 62 2.267 -7.876 0.243 1.00 0.00 C ATOM 962 C ALA A 62 1.086 -7.322 1.048 1.00 0.00 C ATOM 963 O ALA A 62 0.241 -8.081 1.520 1.00 0.00 O ATOM 964 CB ALA A 62 3.558 -7.855 1.061 1.00 0.00 C ATOM 0 H ALA A 62 3.378 -6.664 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 62 2.025 -8.909 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.416 -8.424 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.365 -8.301 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.816 -6.825 1.308 1.00 0.00 H new ATOM 970 N LEU A 63 1.017 -5.997 1.196 1.00 0.00 N ATOM 971 CA LEU A 63 -0.061 -5.318 1.904 1.00 0.00 C ATOM 972 C LEU A 63 -1.398 -5.709 1.264 1.00 0.00 C ATOM 973 O LEU A 63 -2.322 -6.166 1.940 1.00 0.00 O ATOM 974 CB LEU A 63 0.202 -3.801 1.849 1.00 0.00 C ATOM 975 CG LEU A 63 -0.752 -2.946 2.696 1.00 0.00 C ATOM 976 CD1 LEU A 63 -0.536 -3.207 4.188 1.00 0.00 C ATOM 977 CD2 LEU A 63 -0.492 -1.462 2.414 1.00 0.00 C ATOM 0 H LEU A 63 1.720 -5.360 0.821 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.104 -5.613 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.224 -3.612 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.136 -3.473 0.812 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.776 -3.211 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.223 -2.591 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.722 -4.259 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.491 -2.958 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.168 -0.854 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.539 -1.218 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.662 -1.257 1.357 1.00 0.00 H new ATOM 989 N CYS A 64 -1.471 -5.568 -0.062 1.00 0.00 N ATOM 990 CA CYS A 64 -2.629 -5.945 -0.858 1.00 0.00 C ATOM 991 C CYS A 64 -2.952 -7.420 -0.651 1.00 0.00 C ATOM 992 O CYS A 64 -4.116 -7.780 -0.538 1.00 0.00 O ATOM 993 CB CYS A 64 -2.393 -5.674 -2.346 1.00 0.00 C ATOM 994 SG CYS A 64 -2.689 -3.927 -2.714 1.00 0.00 S ATOM 0 H CYS A 64 -0.709 -5.180 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.472 -5.338 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.371 -5.942 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.055 -6.298 -2.947 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.481 -3.828 -3.740 1.00 0.00 H new ATOM 1000 N CYS A 65 -1.937 -8.282 -0.615 1.00 0.00 N ATOM 1001 CA CYS A 65 -2.107 -9.717 -0.403 1.00 0.00 C ATOM 1002 C CYS A 65 -2.791 -9.998 0.927 1.00 0.00 C ATOM 1003 O CYS A 65 -3.818 -10.672 0.985 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.757 -10.440 -0.419 1.00 0.00 C ATOM 1005 SG CYS A 65 -1.082 -12.207 -0.624 1.00 0.00 S ATOM 0 H CYS A 65 -0.964 -8.000 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.729 -10.087 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.134 -10.069 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.214 -10.256 0.508 1.00 0.00 H new ATOM 0 HG CYS A 65 0.044 -12.856 -0.644 1.00 0.00 H new ATOM 1011 N TYR A 66 -2.198 -9.481 2.003 1.00 0.00 N ATOM 1012 CA TYR A 66 -2.735 -9.627 3.353 1.00 0.00 C ATOM 1013 C TYR A 66 -4.189 -9.148 3.339 1.00 0.00 C ATOM 1014 O TYR A 66 -5.083 -9.843 3.804 1.00 0.00 O ATOM 1015 CB TYR A 66 -1.859 -8.856 4.352 1.00 0.00 C ATOM 1016 CG TYR A 66 -2.202 -9.027 5.828 1.00 0.00 C ATOM 1017 CD1 TYR A 66 -3.336 -8.387 6.364 1.00 0.00 C ATOM 1018 CD2 TYR A 66 -1.248 -9.574 6.709 1.00 0.00 C ATOM 1019 CE1 TYR A 66 -3.422 -8.127 7.741 1.00 0.00 C ATOM 1020 CE2 TYR A 66 -1.385 -9.398 8.100 1.00 0.00 C ATOM 1021 CZ TYR A 66 -2.452 -8.642 8.613 1.00 0.00 C ATOM 1022 OH TYR A 66 -2.513 -8.357 9.946 1.00 0.00 O ATOM 0 H TYR A 66 -1.329 -8.948 1.961 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.722 -10.668 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.823 -9.161 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.916 -7.795 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.145 -8.094 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.409 -10.130 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.235 -7.531 8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.668 -9.845 8.773 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.150 -7.461 10.106 1.00 0.00 H new ATOM 1032 N HIS A 67 -4.439 -7.968 2.768 1.00 0.00 N ATOM 1033 CA HIS A 67 -5.785 -7.436 2.628 1.00 0.00 C ATOM 1034 C HIS A 67 -6.693 -8.451 1.907 1.00 0.00 C ATOM 1035 O HIS A 67 -7.745 -8.820 2.427 1.00 0.00 O ATOM 1036 CB HIS A 67 -5.695 -6.074 1.921 1.00 0.00 C ATOM 1037 CG HIS A 67 -7.020 -5.529 1.470 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -7.874 -4.736 2.202 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -7.655 -5.875 0.312 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -9.012 -4.617 1.498 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -8.927 -5.311 0.353 1.00 0.00 N ATOM 0 H HIS A 67 -3.712 -7.360 2.392 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.247 -7.274 3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.230 -5.356 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.039 -6.169 1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.246 -6.475 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.873 -4.044 1.810 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.656 -5.407 -0.354 1.00 0.00 H new ATOM 1049 N ALA A 68 -6.284 -8.910 0.721 1.00 0.00 N ATOM 1050 CA ALA A 68 -6.990 -9.866 -0.123 1.00 0.00 C ATOM 1051 C ALA A 68 -7.358 -11.136 0.640 1.00 0.00 C ATOM 1052 O ALA A 68 -8.425 -11.702 0.422 1.00 0.00 O ATOM 1053 CB ALA A 68 -6.154 -10.206 -1.359 1.00 0.00 C ATOM 0 H ALA A 68 -5.404 -8.606 0.305 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.920 -9.397 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.695 -10.921 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.966 -9.298 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.205 -10.641 -1.048 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.473 -11.581 1.536 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.700 -12.756 2.364 1.00 0.00 C ATOM 1061 C LYS A 69 -8.023 -12.635 3.135 1.00 0.00 C ATOM 1062 O LYS A 69 -8.686 -13.641 3.379 1.00 0.00 O ATOM 1063 CB LYS A 69 -5.517 -12.921 3.327 1.00 0.00 C ATOM 1064 CG LYS A 69 -5.452 -14.306 3.976 1.00 0.00 C ATOM 1065 CD LYS A 69 -4.275 -14.327 4.962 1.00 0.00 C ATOM 1066 CE LYS A 69 -4.189 -15.654 5.725 1.00 0.00 C ATOM 1067 NZ LYS A 69 -3.931 -16.791 4.825 1.00 0.00 N ATOM 0 H LYS A 69 -5.574 -11.129 1.704 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.774 -13.639 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.589 -12.737 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.586 -12.164 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.385 -14.525 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.322 -15.075 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.345 -14.160 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.382 -13.507 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.395 -15.593 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.121 -15.823 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.779 -17.652 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.748 -16.928 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.084 -16.597 4.254 1.00 0.00 H new ATOM 1081 N HIS A 70 -8.393 -11.413 3.536 1.00 0.00 N ATOM 1082 CA HIS A 70 -9.600 -11.141 4.304 1.00 0.00 C ATOM 1083 C HIS A 70 -10.736 -10.640 3.406 1.00 0.00 C ATOM 1084 O HIS A 70 -11.871 -11.111 3.501 1.00 0.00 O ATOM 1085 CB HIS A 70 -9.262 -10.114 5.393 1.00 0.00 C ATOM 1086 CG HIS A 70 -8.058 -10.500 6.218 1.00 0.00 C ATOM 1087 ND1 HIS A 70 -7.897 -11.675 6.917 1.00 0.00 N ATOM 1088 CD2 HIS A 70 -6.894 -9.787 6.333 1.00 0.00 C ATOM 1089 CE1 HIS A 70 -6.666 -11.656 7.457 1.00 0.00 C ATOM 1090 NE2 HIS A 70 -6.018 -10.525 7.136 1.00 0.00 N ATOM 0 H HIS A 70 -7.849 -10.576 3.329 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.951 -12.064 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.080 -9.146 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.123 -9.994 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.689 -8.826 5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.253 -12.445 8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.076 -10.257 7.421 1.00 0.00 H new ATOM 1098 N CYS A 71 -10.439 -9.654 2.556 1.00 0.00 N ATOM 1099 CA CYS A 71 -11.417 -9.038 1.673 1.00 0.00 C ATOM 1100 C CYS A 71 -12.070 -10.066 0.749 1.00 0.00 C ATOM 1101 O CYS A 71 -11.439 -11.032 0.335 1.00 0.00 O ATOM 1102 CB CYS A 71 -10.755 -7.929 0.857 1.00 0.00 C ATOM 1103 SG CYS A 71 -11.881 -7.040 -0.252 1.00 0.00 S ATOM 0 H CYS A 71 -9.502 -9.261 2.465 1.00 0.00 H new ATOM 0 HA CYS A 71 -12.206 -8.608 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.299 -7.214 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.949 -8.362 0.265 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.743 -5.759 -0.075 1.00 0.00 H new ATOM 1108 N GLN A 72 -13.343 -9.841 0.423 1.00 0.00 N ATOM 1109 CA GLN A 72 -14.135 -10.712 -0.431 1.00 0.00 C ATOM 1110 C GLN A 72 -15.230 -9.883 -1.109 1.00 0.00 C ATOM 1111 O GLN A 72 -16.403 -10.245 -1.113 1.00 0.00 O ATOM 1112 CB GLN A 72 -14.648 -11.894 0.407 1.00 0.00 C ATOM 1113 CG GLN A 72 -15.408 -11.480 1.679 1.00 0.00 C ATOM 1114 CD GLN A 72 -15.350 -12.583 2.728 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -16.301 -13.339 2.897 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -14.235 -12.691 3.448 1.00 0.00 N ATOM 0 H GLN A 72 -13.860 -9.027 0.756 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.545 -11.146 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.304 -12.507 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.801 -12.519 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.977 -10.564 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.447 -11.261 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.459 -12.049 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.157 -13.416 4.161 1.00 0.00 H new ATOM 1125 N GLU A 73 -14.817 -8.745 -1.675 1.00 0.00 N ATOM 1126 CA GLU A 73 -15.656 -7.790 -2.370 1.00 0.00 C ATOM 1127 C GLU A 73 -15.748 -8.174 -3.849 1.00 0.00 C ATOM 1128 O GLU A 73 -14.800 -8.726 -4.402 1.00 0.00 O ATOM 1129 CB GLU A 73 -15.035 -6.388 -2.236 1.00 0.00 C ATOM 1130 CG GLU A 73 -16.022 -5.237 -2.030 1.00 0.00 C ATOM 1131 CD GLU A 73 -17.069 -5.146 -3.133 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -18.108 -5.827 -2.991 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -16.792 -4.458 -4.137 1.00 0.00 O ATOM 0 H GLU A 73 -13.838 -8.460 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.656 -7.791 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.339 -6.399 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.450 -6.184 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.523 -5.363 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.471 -4.298 -1.981 1.00 0.00 H new ATOM 1140 N ASN A 74 -16.856 -7.830 -4.507 1.00 0.00 N ATOM 1141 CA ASN A 74 -17.029 -8.076 -5.931 1.00 0.00 C ATOM 1142 C ASN A 74 -16.093 -7.181 -6.751 1.00 0.00 C ATOM 1143 O ASN A 74 -15.502 -7.654 -7.717 1.00 0.00 O ATOM 1144 CB ASN A 74 -18.494 -7.836 -6.325 1.00 0.00 C ATOM 1145 CG ASN A 74 -18.896 -8.400 -7.694 1.00 0.00 C ATOM 1146 OD1 ASN A 74 -20.071 -8.669 -7.913 1.00 0.00 O ATOM 1147 ND2 ASN A 74 -17.976 -8.597 -8.637 1.00 0.00 N ATOM 0 H ASN A 74 -17.654 -7.374 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.773 -9.114 -6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -19.137 -8.278 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -18.685 -6.763 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.249 -8.973 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.999 -8.372 -8.451 1.00 0.00 H new ATOM 1154 N LYS A 75 -16.001 -5.891 -6.404 1.00 0.00 N ATOM 1155 CA LYS A 75 -15.208 -4.889 -7.112 1.00 0.00 C ATOM 1156 C LYS A 75 -14.432 -4.041 -6.098 1.00 0.00 C ATOM 1157 O LYS A 75 -14.697 -2.851 -5.938 1.00 0.00 O ATOM 1158 CB LYS A 75 -16.141 -4.008 -7.963 1.00 0.00 C ATOM 1159 CG LYS A 75 -16.939 -4.759 -9.039 1.00 0.00 C ATOM 1160 CD LYS A 75 -16.039 -5.329 -10.145 1.00 0.00 C ATOM 1161 CE LYS A 75 -16.896 -5.961 -11.246 1.00 0.00 C ATOM 1162 NZ LYS A 75 -16.058 -6.553 -12.303 1.00 0.00 N ATOM 0 H LYS A 75 -16.493 -5.508 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.493 -5.378 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.842 -3.501 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.544 -3.235 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.496 -5.572 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.671 -4.084 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.419 -4.537 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.363 -6.074 -9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.538 -6.729 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.551 -5.205 -11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.667 -6.973 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.464 -5.814 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.451 -7.291 -11.892 1.00 0.00 H new ATOM 1176 N CYS A 76 -13.472 -4.643 -5.390 1.00 0.00 N ATOM 1177 CA CYS A 76 -12.705 -3.911 -4.389 1.00 0.00 C ATOM 1178 C CYS A 76 -11.848 -2.798 -5.019 1.00 0.00 C ATOM 1179 O CYS A 76 -11.077 -3.096 -5.928 1.00 0.00 O ATOM 1180 CB CYS A 76 -11.800 -4.855 -3.597 1.00 0.00 C ATOM 1181 SG CYS A 76 -10.933 -4.011 -2.259 1.00 0.00 S ATOM 0 H CYS A 76 -13.212 -5.624 -5.492 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.429 -3.450 -3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.399 -5.667 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.072 -5.307 -4.271 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.653 -4.058 -1.178 1.00 0.00 H new ATOM 1186 N PRO A 77 -11.933 -1.544 -4.535 1.00 0.00 N ATOM 1187 CA PRO A 77 -11.108 -0.436 -5.009 1.00 0.00 C ATOM 1188 C PRO A 77 -9.604 -0.740 -4.976 1.00 0.00 C ATOM 1189 O PRO A 77 -8.870 -0.341 -5.877 1.00 0.00 O ATOM 1190 CB PRO A 77 -11.429 0.746 -4.085 1.00 0.00 C ATOM 1191 CG PRO A 77 -12.840 0.439 -3.596 1.00 0.00 C ATOM 1192 CD PRO A 77 -12.842 -1.084 -3.495 1.00 0.00 C ATOM 0 HA PRO A 77 -11.335 -0.230 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.723 0.813 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.386 1.696 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -13.045 0.908 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -13.597 0.799 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.510 -1.412 -2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.844 -1.486 -3.644 1.00 0.00 H new ATOM 1200 N VAL A 78 -9.134 -1.404 -3.912 1.00 0.00 N ATOM 1201 CA VAL A 78 -7.726 -1.732 -3.730 1.00 0.00 C ATOM 1202 C VAL A 78 -7.199 -2.507 -4.949 1.00 0.00 C ATOM 1203 O VAL A 78 -7.757 -3.554 -5.280 1.00 0.00 O ATOM 1204 CB VAL A 78 -7.526 -2.514 -2.417 1.00 0.00 C ATOM 1205 CG1 VAL A 78 -6.086 -3.020 -2.268 1.00 0.00 C ATOM 1206 CG2 VAL A 78 -7.848 -1.629 -1.207 1.00 0.00 C ATOM 0 H VAL A 78 -9.730 -1.728 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.148 -0.811 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.203 -3.367 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.987 -3.566 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.845 -3.682 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.401 -2.172 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.701 -2.199 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.188 -0.761 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.884 -1.296 -1.265 1.00 0.00 H new ATOM 1216 N PRO A 79 -6.139 -2.029 -5.625 1.00 0.00 N ATOM 1217 CA PRO A 79 -5.601 -2.706 -6.790 1.00 0.00 C ATOM 1218 C PRO A 79 -4.999 -4.052 -6.389 1.00 0.00 C ATOM 1219 O PRO A 79 -4.637 -4.268 -5.233 1.00 0.00 O ATOM 1220 CB PRO A 79 -4.551 -1.756 -7.376 1.00 0.00 C ATOM 1221 CG PRO A 79 -4.095 -0.948 -6.163 1.00 0.00 C ATOM 1222 CD PRO A 79 -5.373 -0.827 -5.333 1.00 0.00 C ATOM 0 HA PRO A 79 -6.369 -2.929 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.724 -2.301 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.974 -1.116 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.303 -1.457 -5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.706 0.029 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.145 -0.755 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.932 0.070 -5.601 1.00 0.00 H new ATOM 1230 N PHE A 80 -4.910 -4.975 -7.347 1.00 0.00 N ATOM 1231 CA PHE A 80 -4.364 -6.317 -7.174 1.00 0.00 C ATOM 1232 C PHE A 80 -5.294 -7.244 -6.382 1.00 0.00 C ATOM 1233 O PHE A 80 -5.403 -8.408 -6.748 1.00 0.00 O ATOM 1234 CB PHE A 80 -2.954 -6.311 -6.556 1.00 0.00 C ATOM 1235 CG PHE A 80 -1.985 -5.242 -7.034 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -1.946 -4.853 -8.388 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -1.077 -4.670 -6.122 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -1.058 -3.848 -8.808 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -0.176 -3.680 -6.547 1.00 0.00 C ATOM 1240 CZ PHE A 80 -0.181 -3.254 -7.886 1.00 0.00 C ATOM 0 H PHE A 80 -5.229 -4.800 -8.300 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.282 -6.720 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.060 -6.211 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.500 -7.284 -6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.600 -5.328 -9.104 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.074 -4.994 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.050 -3.532 -9.841 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.521 -3.246 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.489 -2.470 -8.206 1.00 0.00 H new ATOM 1250 N CYS A 81 -5.928 -6.755 -5.306 1.00 0.00 N ATOM 1251 CA CYS A 81 -6.816 -7.493 -4.406 1.00 0.00 C ATOM 1252 C CYS A 81 -7.536 -8.667 -5.080 1.00 0.00 C ATOM 1253 O CYS A 81 -7.295 -9.830 -4.755 1.00 0.00 O ATOM 1254 CB CYS A 81 -7.833 -6.525 -3.778 1.00 0.00 C ATOM 1255 SG CYS A 81 -9.027 -7.299 -2.659 1.00 0.00 S ATOM 0 H CYS A 81 -5.827 -5.779 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.188 -7.934 -3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.290 -5.755 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.378 -6.024 -4.578 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.902 -6.416 -2.280 1.00 0.00 H new ATOM 1260 N LEU A 82 -8.424 -8.341 -6.020 1.00 0.00 N ATOM 1261 CA LEU A 82 -9.221 -9.304 -6.765 1.00 0.00 C ATOM 1262 C LEU A 82 -8.323 -10.349 -7.423 1.00 0.00 C ATOM 1263 O LEU A 82 -8.471 -11.545 -7.182 1.00 0.00 O ATOM 1264 CB LEU A 82 -10.054 -8.562 -7.820 1.00 0.00 C ATOM 1265 CG LEU A 82 -11.067 -7.567 -7.229 1.00 0.00 C ATOM 1266 CD1 LEU A 82 -11.680 -6.747 -8.370 1.00 0.00 C ATOM 1267 CD2 LEU A 82 -12.184 -8.280 -6.457 1.00 0.00 C ATOM 0 H LEU A 82 -8.610 -7.375 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.891 -9.824 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.381 -8.026 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.589 -9.293 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.540 -6.920 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.400 -6.038 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.892 -6.204 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.184 -7.415 -9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.878 -7.541 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.718 -8.953 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.751 -8.854 -5.637 1.00 0.00 H new ATOM 1279 N ASN A 83 -7.381 -9.890 -8.249 1.00 0.00 N ATOM 1280 CA ASN A 83 -6.445 -10.735 -8.981 1.00 0.00 C ATOM 1281 C ASN A 83 -5.738 -11.707 -8.040 1.00 0.00 C ATOM 1282 O ASN A 83 -5.696 -12.905 -8.305 1.00 0.00 O ATOM 1283 CB ASN A 83 -5.417 -9.879 -9.736 1.00 0.00 C ATOM 1284 CG ASN A 83 -6.078 -8.768 -10.541 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -6.455 -7.744 -9.978 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -6.241 -8.956 -11.848 1.00 0.00 N ATOM 0 H ASN A 83 -7.247 -8.895 -8.430 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.014 -11.315 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.716 -9.443 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.837 -10.515 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.691 -8.237 -12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.916 -9.819 -12.284 1.00 0.00 H new ATOM 1293 N ILE A 84 -5.190 -11.193 -6.936 1.00 0.00 N ATOM 1294 CA ILE A 84 -4.492 -11.996 -5.945 1.00 0.00 C ATOM 1295 C ILE A 84 -5.443 -13.055 -5.390 1.00 0.00 C ATOM 1296 O ILE A 84 -5.103 -14.238 -5.385 1.00 0.00 O ATOM 1297 CB ILE A 84 -3.905 -11.108 -4.830 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -2.778 -10.219 -5.392 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -3.367 -11.997 -3.697 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -2.328 -9.130 -4.408 1.00 0.00 C ATOM 0 H ILE A 84 -5.222 -10.199 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.651 -12.503 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.689 -10.461 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.923 -10.844 -5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.119 -9.749 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.952 -11.370 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.179 -12.600 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.588 -12.652 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.533 -8.537 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.173 -8.483 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.958 -9.595 -3.494 1.00 0.00 H new ATOM 1312 N LYS A 85 -6.623 -12.637 -4.919 1.00 0.00 N ATOM 1313 CA LYS A 85 -7.585 -13.564 -4.342 1.00 0.00 C ATOM 1314 C LYS A 85 -7.952 -14.666 -5.339 1.00 0.00 C ATOM 1315 O LYS A 85 -7.975 -15.840 -4.981 1.00 0.00 O ATOM 1316 CB LYS A 85 -8.823 -12.816 -3.828 1.00 0.00 C ATOM 1317 CG LYS A 85 -9.531 -13.676 -2.776 1.00 0.00 C ATOM 1318 CD LYS A 85 -10.835 -13.022 -2.311 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.473 -13.841 -1.183 1.00 0.00 C ATOM 1320 NZ LYS A 85 -10.711 -13.722 0.075 1.00 0.00 N ATOM 0 H LYS A 85 -6.928 -11.664 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.121 -14.051 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.531 -11.859 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.501 -12.599 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.743 -14.661 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.871 -13.826 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.637 -12.008 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.528 -12.943 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.497 -13.503 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.526 -14.889 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.172 -14.289 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.741 -14.068 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.682 -12.725 0.370 1.00 0.00 H new ATOM 1334 N HIS A 86 -8.227 -14.291 -6.592 1.00 0.00 N ATOM 1335 CA HIS A 86 -8.549 -15.242 -7.648 1.00 0.00 C ATOM 1336 C HIS A 86 -7.372 -16.202 -7.835 1.00 0.00 C ATOM 1337 O HIS A 86 -7.549 -17.417 -7.868 1.00 0.00 O ATOM 1338 CB HIS A 86 -8.882 -14.497 -8.948 1.00 0.00 C ATOM 1339 CG HIS A 86 -10.024 -13.517 -8.823 1.00 0.00 C ATOM 1340 ND1 HIS A 86 -10.952 -13.468 -7.806 1.00 0.00 N ATOM 1341 CD2 HIS A 86 -10.263 -12.449 -9.646 1.00 0.00 C ATOM 1342 CE1 HIS A 86 -11.736 -12.397 -8.023 1.00 0.00 C ATOM 1343 NE2 HIS A 86 -11.359 -11.748 -9.136 1.00 0.00 N ATOM 0 H HIS A 86 -8.231 -13.318 -6.898 1.00 0.00 H new ATOM 0 HA HIS A 86 -9.428 -15.823 -7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -7.994 -13.962 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -9.127 -15.227 -9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.703 -12.193 -10.533 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.557 -12.099 -7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.787 -10.910 -9.531 1.00 0.00 H new ATOM 1351 N LYS A 87 -6.160 -15.650 -7.928 1.00 0.00 N ATOM 1352 CA LYS A 87 -4.937 -16.423 -8.033 1.00 0.00 C ATOM 1353 C LYS A 87 -4.631 -17.010 -6.654 1.00 0.00 C ATOM 1354 O LYS A 87 -3.903 -17.997 -6.544 1.00 0.00 O ATOM 1355 CB LYS A 87 -3.811 -15.511 -8.545 1.00 0.00 C ATOM 1356 CG LYS A 87 -2.536 -16.291 -8.891 1.00 0.00 C ATOM 1357 CD LYS A 87 -1.479 -15.340 -9.470 1.00 0.00 C ATOM 1358 CE LYS A 87 -0.217 -16.092 -9.910 1.00 0.00 C ATOM 1359 NZ LYS A 87 0.459 -16.750 -8.777 1.00 0.00 N ATOM 0 H LYS A 87 -6.007 -14.642 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.036 -17.245 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.156 -14.974 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.581 -14.762 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.146 -16.781 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.765 -17.076 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.899 -14.805 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.215 -14.592 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.483 -16.840 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.472 -15.395 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.359 -17.160 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.646 -16.051 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.150 -17.504 -8.400 1.00 0.00 H new