USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1057 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 NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -25.9! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1.03 K(o=-27,f=-24) USER MOD Set 2.1: A 31 MET CE :methyl -155:sc= -1.13 (180deg=-3.28!) USER MOD Set 2.2: A 46 CYS SG : rot 29:sc= 0.567 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -172:sc= -0.345 (180deg=-0.444) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.4!) USER MOD Single : A 11 THR OG1 : rot -133:sc= 1.08! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.58 USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.234 USER MOD Single : A 24 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00645 (180deg=-0.161) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00412 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -16.4! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.077 K(o=-0.077,f=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.052) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -67:sc= -3.63! USER MOD Single : A 71 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-1.7!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 172:sc= 0 (180deg=-0.0155) USER MOD Single : B 92 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.35) USER MOD Single : B 94 MET CE :methyl -161:sc= -1.22 (180deg=-3.19!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.101) USER MOD Single : B 97 GLN : amide:sc= -6.93! K(o=-6.9!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -152:sc= -1.04 (180deg=-2.72!) USER MOD Single : B 110 LYS NZ :NH3+ 156:sc= -0.224 (180deg=-1.04) USER MOD Single : B 115 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.68) USER MOD Single : B 117 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : B 118 TYR OH : rot 9:sc= -0.667 USER MOD Single : B 121 LYS NZ :NH3+ -165:sc=-0.00834 (180deg=-0.213) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -96:sc= 0.703 USER MOD Single : B 131 ASN : amide:sc= -0.633 K(o=-0.63,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.652 K(o=-0.65,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.259 -9.639 -28.550 1.00 0.00 N ATOM 2 CA GLN A 1 -11.087 -9.163 -29.337 1.00 0.00 C ATOM 3 C GLN A 1 -10.108 -8.442 -28.409 1.00 0.00 C ATOM 4 O GLN A 1 -9.136 -7.858 -28.847 1.00 0.00 O ATOM 5 CB GLN A 1 -11.562 -8.198 -30.426 1.00 0.00 C ATOM 6 CG GLN A 1 -12.580 -8.901 -31.323 1.00 0.00 C ATOM 7 CD GLN A 1 -12.824 -8.058 -32.576 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.401 -8.418 -33.657 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.494 -6.943 -32.478 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.857 -10.244 -29.149 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.927 -10.184 -27.729 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.812 -8.822 -28.222 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.589 -10.016 -29.799 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.010 -7.314 -29.973 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.714 -7.857 -31.019 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.214 -9.889 -31.602 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.515 -9.049 -30.783 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.850 -6.640 -31.571 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.662 -6.375 -33.308 1.00 0.00 H new ATOM 20 N GLY A 2 -10.355 -8.477 -27.127 1.00 0.00 N ATOM 21 CA GLY A 2 -9.437 -7.796 -26.173 1.00 0.00 C ATOM 22 C GLY A 2 -9.776 -8.222 -24.744 1.00 0.00 C ATOM 23 O GLY A 2 -10.361 -7.477 -23.985 1.00 0.00 O ATOM 0 H GLY A 2 -11.153 -8.948 -26.701 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.402 -8.050 -26.403 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.529 -6.714 -26.273 1.00 0.00 H new ATOM 27 N SER A 3 -9.411 -9.416 -24.369 1.00 0.00 N ATOM 28 CA SER A 3 -9.711 -9.890 -22.989 1.00 0.00 C ATOM 29 C SER A 3 -8.821 -11.086 -22.651 1.00 0.00 C ATOM 30 O SER A 3 -9.230 -11.998 -21.961 1.00 0.00 O ATOM 31 CB SER A 3 -11.180 -10.305 -22.901 1.00 0.00 C ATOM 32 OG SER A 3 -11.411 -11.398 -23.777 1.00 0.00 O ATOM 0 H SER A 3 -8.917 -10.085 -24.959 1.00 0.00 H new ATOM 0 HA SER A 3 -9.517 -9.085 -22.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.430 -10.585 -21.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.823 -9.467 -23.169 1.00 0.00 H new ATOM 0 HG SER A 3 -12.351 -11.668 -23.722 1.00 0.00 H new ATOM 38 N ARG A 4 -7.607 -11.090 -23.130 1.00 0.00 N ATOM 39 CA ARG A 4 -6.693 -12.227 -22.832 1.00 0.00 C ATOM 40 C ARG A 4 -6.241 -12.138 -21.374 1.00 0.00 C ATOM 41 O ARG A 4 -6.117 -11.064 -20.819 1.00 0.00 O ATOM 42 CB ARG A 4 -5.471 -12.156 -23.753 1.00 0.00 C ATOM 43 CG ARG A 4 -4.544 -13.342 -23.467 1.00 0.00 C ATOM 44 CD ARG A 4 -3.370 -13.335 -24.450 1.00 0.00 C ATOM 45 NE ARG A 4 -3.868 -13.133 -25.854 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.747 -13.938 -26.394 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.092 -15.042 -25.794 1.00 0.00 N ATOM 48 NH2 ARG A 4 -5.240 -13.660 -27.570 1.00 0.00 N ATOM 0 H ARG A 4 -7.209 -10.355 -23.715 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.214 -13.170 -22.997 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.787 -12.172 -24.796 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.938 -11.218 -23.596 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.173 -13.286 -22.444 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.098 -14.277 -23.555 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.671 -12.541 -24.187 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.824 -14.276 -24.382 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.512 -12.348 -26.400 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.676 -15.285 -24.895 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.778 -15.663 -26.223 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.940 -12.819 -28.063 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.925 -14.284 -27.996 1.00 0.00 H new ATOM 62 N VAL A 5 -5.993 -13.253 -20.746 1.00 0.00 N ATOM 63 CA VAL A 5 -5.548 -13.219 -19.324 1.00 0.00 C ATOM 64 C VAL A 5 -4.169 -12.562 -19.241 1.00 0.00 C ATOM 65 O VAL A 5 -3.152 -13.214 -19.375 1.00 0.00 O ATOM 66 CB VAL A 5 -5.473 -14.647 -18.780 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.160 -14.608 -17.284 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.817 -15.345 -19.000 1.00 0.00 C ATOM 0 H VAL A 5 -6.079 -14.184 -21.154 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.259 -12.645 -18.730 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.687 -15.194 -19.301 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.107 -15.626 -16.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.204 -14.109 -17.125 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.946 -14.062 -16.762 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.766 -16.363 -18.613 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.601 -14.797 -18.478 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.042 -15.373 -20.066 1.00 0.00 H new ATOM 78 N LEU A 6 -4.133 -11.274 -19.009 1.00 0.00 N ATOM 79 CA LEU A 6 -2.833 -10.540 -18.897 1.00 0.00 C ATOM 80 C LEU A 6 -2.777 -9.888 -17.523 1.00 0.00 C ATOM 81 O LEU A 6 -1.851 -10.082 -16.758 1.00 0.00 O ATOM 82 CB LEU A 6 -2.754 -9.455 -19.979 1.00 0.00 C ATOM 83 CG LEU A 6 -2.579 -10.100 -21.368 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.043 -9.122 -22.452 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.102 -10.449 -21.616 1.00 0.00 C ATOM 0 H LEU A 6 -4.961 -10.690 -18.891 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.999 -11.230 -19.028 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.660 -8.849 -19.963 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.919 -8.786 -19.773 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.176 -11.011 -21.403 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.918 -9.580 -23.433 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.094 -8.878 -22.296 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.447 -8.211 -22.399 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.996 -10.904 -22.601 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.501 -9.541 -21.569 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.761 -11.150 -20.854 1.00 0.00 H new ATOM 97 N HIS A 7 -3.779 -9.114 -17.201 1.00 0.00 N ATOM 98 CA HIS A 7 -3.824 -8.437 -15.879 1.00 0.00 C ATOM 99 C HIS A 7 -5.276 -8.360 -15.409 1.00 0.00 C ATOM 100 O HIS A 7 -5.884 -7.311 -15.418 1.00 0.00 O ATOM 101 CB HIS A 7 -3.253 -7.023 -16.007 1.00 0.00 C ATOM 102 CG HIS A 7 -1.849 -7.098 -16.542 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.785 -7.539 -15.771 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.318 -6.786 -17.770 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.320 -7.485 -16.535 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.053 -7.033 -17.764 1.00 0.00 N ATOM 0 H HIS A 7 -4.576 -8.922 -17.807 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.231 -8.999 -15.157 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.876 -6.426 -16.673 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.258 -6.528 -15.036 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.832 -7.848 -14.800 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.878 -6.407 -18.612 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.305 -7.772 -16.196 1.00 0.00 H new ATOM 114 N VAL A 8 -5.835 -9.460 -14.984 1.00 0.00 N ATOM 115 CA VAL A 8 -7.242 -9.433 -14.501 1.00 0.00 C ATOM 116 C VAL A 8 -7.244 -8.657 -13.191 1.00 0.00 C ATOM 117 O VAL A 8 -6.211 -8.538 -12.564 1.00 0.00 O ATOM 118 CB VAL A 8 -7.727 -10.867 -14.268 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.251 -10.883 -14.185 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.276 -11.756 -15.432 1.00 0.00 C ATOM 0 H VAL A 8 -5.379 -10.372 -14.951 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.905 -8.963 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.306 -11.243 -13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.596 -11.904 -14.019 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.577 -10.251 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.670 -10.506 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.621 -12.776 -15.266 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.697 -11.378 -16.363 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.188 -11.747 -15.496 1.00 0.00 H new ATOM 130 N VAL A 9 -8.359 -8.103 -12.755 1.00 0.00 N ATOM 131 CA VAL A 9 -8.311 -7.326 -11.477 1.00 0.00 C ATOM 132 C VAL A 9 -9.608 -7.474 -10.682 1.00 0.00 C ATOM 133 O VAL A 9 -10.698 -7.307 -11.191 1.00 0.00 O ATOM 134 CB VAL A 9 -8.057 -5.835 -11.788 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.880 -5.694 -12.758 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.302 -5.220 -12.432 1.00 0.00 C ATOM 0 H VAL A 9 -9.268 -8.154 -13.214 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.498 -7.723 -10.869 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.828 -5.319 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.709 -4.639 -12.971 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.985 -6.123 -12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.108 -6.219 -13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.117 -4.168 -12.649 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.531 -5.747 -13.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.146 -5.306 -11.748 1.00 0.00 H new ATOM 146 N GLN A 10 -9.477 -7.765 -9.412 1.00 0.00 N ATOM 147 CA GLN A 10 -10.665 -7.912 -8.526 1.00 0.00 C ATOM 148 C GLN A 10 -10.851 -6.623 -7.722 1.00 0.00 C ATOM 149 O GLN A 10 -9.932 -6.122 -7.105 1.00 0.00 O ATOM 150 CB GLN A 10 -10.447 -9.082 -7.565 1.00 0.00 C ATOM 151 CG GLN A 10 -10.482 -10.399 -8.339 1.00 0.00 C ATOM 152 CD GLN A 10 -10.201 -11.561 -7.381 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.074 -11.362 -6.190 1.00 0.00 O ATOM 154 NE2 GLN A 10 -10.096 -12.771 -7.855 1.00 0.00 N ATOM 0 H GLN A 10 -8.581 -7.909 -8.947 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.551 -8.103 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.489 -8.974 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.219 -9.081 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.456 -10.530 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.740 -10.384 -9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.203 -12.938 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.907 -13.551 -7.225 1.00 0.00 H new ATOM 163 N THR A 11 -12.037 -6.080 -7.731 1.00 0.00 N ATOM 164 CA THR A 11 -12.303 -4.823 -6.977 1.00 0.00 C ATOM 165 C THR A 11 -12.111 -5.042 -5.490 1.00 0.00 C ATOM 166 O THR A 11 -12.252 -6.129 -4.967 1.00 0.00 O ATOM 167 CB THR A 11 -13.736 -4.391 -7.225 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.965 -4.311 -8.622 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.016 -3.030 -6.571 1.00 0.00 C ATOM 0 H THR A 11 -12.841 -6.457 -8.233 1.00 0.00 H new ATOM 0 HA THR A 11 -11.606 -4.056 -7.317 1.00 0.00 H new ATOM 0 HB THR A 11 -14.408 -5.127 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.417 -3.467 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.049 -2.740 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.852 -3.102 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.346 -2.280 -6.991 1.00 0.00 H new ATOM 177 N LEU A 12 -11.806 -3.982 -4.816 1.00 5.40 N ATOM 178 CA LEU A 12 -11.600 -4.017 -3.340 1.00 9.02 C ATOM 179 C LEU A 12 -12.714 -3.183 -2.708 1.00 10.54 C ATOM 180 O LEU A 12 -12.981 -3.278 -1.526 1.00 10.21 O ATOM 181 CB LEU A 12 -10.234 -3.375 -2.976 1.00 7.97 C ATOM 182 CG LEU A 12 -8.979 -4.093 -3.598 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.710 -3.338 -3.200 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.802 -5.553 -3.149 1.00 6.66 C ATOM 0 H LEU A 12 -11.685 -3.059 -5.234 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.613 -5.046 -2.982 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.239 -2.335 -3.303 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.130 -3.368 -1.891 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.147 -4.093 -4.675 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.841 -3.835 -3.631 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.764 -2.315 -3.571 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.620 -3.325 -2.114 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.915 -5.974 -3.623 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.687 -5.589 -2.066 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.678 -6.132 -3.440 1.00 6.66 H new ATOM 196 N TYR A 13 -13.369 -2.355 -3.487 1.00 12.19 N ATOM 197 CA TYR A 13 -14.469 -1.510 -2.910 1.00 12.32 C ATOM 198 C TYR A 13 -15.558 -1.222 -3.975 1.00 14.17 C ATOM 199 O TYR A 13 -15.228 -1.045 -5.131 1.00 14.79 O ATOM 200 CB TYR A 13 -13.875 -0.179 -2.437 1.00 14.83 C ATOM 201 CG TYR A 13 -12.574 -0.434 -1.714 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.585 -0.894 -0.392 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.353 -0.207 -2.363 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.380 -1.127 0.280 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.148 -0.442 -1.692 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.161 -0.902 -0.369 1.00 12.35 C ATOM 207 OH TYR A 13 -8.971 -1.132 0.293 1.00 12.20 O ATOM 0 H TYR A 13 -13.195 -2.227 -4.484 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.924 -2.047 -2.078 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.706 0.479 -3.289 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.577 0.330 -1.776 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.525 -1.069 0.110 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.342 0.150 -3.382 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.391 -1.481 1.300 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.208 -0.269 -2.194 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.220 -0.927 -0.303 1.00 12.20 H new ATOM 217 N PRO A 14 -16.828 -1.150 -3.572 1.00 0.00 N ATOM 218 CA PRO A 14 -17.926 -0.843 -4.522 1.00 0.00 C ATOM 219 C PRO A 14 -17.856 0.643 -4.907 1.00 0.00 C ATOM 220 O PRO A 14 -18.556 1.468 -4.354 1.00 0.00 O ATOM 221 CB PRO A 14 -19.216 -1.136 -3.730 1.00 0.00 C ATOM 222 CG PRO A 14 -18.821 -1.190 -2.229 1.00 0.00 C ATOM 223 CD PRO A 14 -17.287 -1.365 -2.173 1.00 0.00 C ATOM 0 HA PRO A 14 -17.874 -1.424 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.961 -0.360 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.658 -2.081 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.124 -0.277 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.322 -2.018 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.832 -0.646 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.015 -2.358 -1.816 1.00 0.00 H new ATOM 231 N PHE A 15 -17.010 0.995 -5.829 1.00 0.00 N ATOM 232 CA PHE A 15 -16.892 2.431 -6.220 1.00 0.00 C ATOM 233 C PHE A 15 -18.117 2.883 -7.008 1.00 0.00 C ATOM 234 O PHE A 15 -18.947 2.091 -7.408 1.00 0.00 O ATOM 235 CB PHE A 15 -15.655 2.629 -7.091 1.00 0.00 C ATOM 236 CG PHE A 15 -15.376 4.112 -7.295 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.181 4.966 -6.194 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.306 4.638 -8.597 1.00 0.00 C ATOM 239 CE1 PHE A 15 -14.921 6.325 -6.397 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.044 5.999 -8.793 1.00 0.00 C ATOM 241 CZ PHE A 15 -14.852 6.842 -7.695 1.00 0.00 C ATOM 0 H PHE A 15 -16.394 0.355 -6.331 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.813 3.023 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.794 2.152 -6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.802 2.145 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.232 4.571 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.455 3.990 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.773 6.977 -5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.990 6.398 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.650 7.892 -7.848 1.00 0.00 H new ATOM 251 N SER A 16 -18.221 4.167 -7.237 1.00 0.00 N ATOM 252 CA SER A 16 -19.378 4.714 -8.010 1.00 0.00 C ATOM 253 C SER A 16 -18.880 5.775 -8.986 1.00 0.00 C ATOM 254 O SER A 16 -18.450 6.846 -8.603 1.00 0.00 O ATOM 255 CB SER A 16 -20.391 5.335 -7.048 1.00 0.00 C ATOM 256 OG SER A 16 -21.011 4.303 -6.290 1.00 0.00 O ATOM 0 H SER A 16 -17.549 4.866 -6.919 1.00 0.00 H new ATOM 0 HA SER A 16 -19.858 3.908 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.894 6.042 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.142 5.895 -7.604 1.00 0.00 H new ATOM 0 HG SER A 16 -21.660 4.697 -5.671 1.00 0.00 H new ATOM 262 N SER A 17 -18.938 5.472 -10.252 1.00 0.00 N ATOM 263 CA SER A 17 -18.477 6.427 -11.300 1.00 0.00 C ATOM 264 C SER A 17 -19.530 6.464 -12.408 1.00 0.00 C ATOM 265 O SER A 17 -19.719 5.502 -13.122 1.00 0.00 O ATOM 266 CB SER A 17 -17.125 5.938 -11.833 1.00 0.00 C ATOM 267 OG SER A 17 -16.310 7.058 -12.137 1.00 0.00 O ATOM 0 H SER A 17 -19.292 4.586 -10.612 1.00 0.00 H new ATOM 0 HA SER A 17 -18.352 7.434 -10.902 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.635 5.307 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.271 5.327 -12.724 1.00 0.00 H new ATOM 0 HG SER A 17 -15.370 6.781 -12.166 1.00 0.00 H new ATOM 273 N VAL A 18 -20.218 7.573 -12.559 1.00 0.00 N ATOM 274 CA VAL A 18 -21.261 7.674 -13.608 1.00 0.00 C ATOM 275 C VAL A 18 -21.042 8.950 -14.408 1.00 0.00 C ATOM 276 O VAL A 18 -21.517 10.020 -14.086 1.00 0.00 O ATOM 277 CB VAL A 18 -22.644 7.712 -12.943 1.00 0.00 C ATOM 278 CG1 VAL A 18 -22.937 6.360 -12.286 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.665 8.807 -11.870 1.00 0.00 C ATOM 0 H VAL A 18 -20.094 8.412 -11.993 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.203 6.813 -14.274 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.400 7.922 -13.699 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -23.919 6.390 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.922 5.576 -13.044 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.179 6.150 -11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.647 8.835 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.906 8.594 -11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.457 9.772 -12.331 1.00 0.00 H new ATOM 289 N THR A 19 -20.347 8.793 -15.475 1.00 38.32 N ATOM 290 CA THR A 19 -20.065 9.921 -16.412 1.00 37.06 C ATOM 291 C THR A 19 -20.065 9.357 -17.822 1.00 36.60 C ATOM 292 O THR A 19 -20.694 8.357 -18.112 1.00 36.42 O ATOM 293 CB THR A 19 -18.687 10.555 -16.113 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.489 10.607 -14.708 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.627 11.979 -16.681 1.00 37.86 C ATOM 0 H THR A 19 -19.941 7.902 -15.760 1.00 38.32 H new ATOM 0 HA THR A 19 -20.824 10.695 -16.296 1.00 37.06 H new ATOM 0 HB THR A 19 -17.909 9.950 -16.578 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.798 11.270 -14.499 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.652 12.416 -16.465 1.00 37.86 H new ATOM 0 HG22 THR A 19 -18.779 11.947 -17.760 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.407 12.587 -16.222 1.00 37.86 H new ATOM 303 N GLU A 20 -19.333 9.970 -18.685 1.00 36.33 N ATOM 304 CA GLU A 20 -19.226 9.502 -20.043 1.00 36.39 C ATOM 305 C GLU A 20 -18.173 8.381 -20.048 1.00 30.94 C ATOM 306 O GLU A 20 -18.415 7.292 -20.529 1.00 31.73 O ATOM 307 CB GLU A 20 -18.835 10.733 -20.869 1.00 41.00 C ATOM 308 CG GLU A 20 -19.943 11.723 -20.810 1.00 49.07 C ATOM 309 CD GLU A 20 -21.210 11.142 -21.438 1.00 52.00 C ATOM 310 OE1 GLU A 20 -21.120 10.626 -22.541 1.00 55.13 O ATOM 311 OE2 GLU A 20 -22.252 11.222 -20.806 1.00 54.38 O ATOM 0 H GLU A 20 -18.789 10.808 -18.481 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.138 9.081 -20.466 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -17.916 11.172 -20.480 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.639 10.447 -21.902 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -20.137 12.000 -19.774 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -19.654 12.634 -21.335 1.00 49.07 H new ATOM 318 N GLU A 21 -16.997 8.658 -19.549 1.00 0.00 N ATOM 319 CA GLU A 21 -15.906 7.671 -19.540 1.00 0.00 C ATOM 320 C GLU A 21 -15.626 7.175 -18.103 1.00 0.00 C ATOM 321 O GLU A 21 -14.514 6.816 -17.776 1.00 0.00 O ATOM 322 CB GLU A 21 -14.694 8.419 -20.102 1.00 0.00 C ATOM 323 CG GLU A 21 -14.948 8.753 -21.562 1.00 0.00 C ATOM 324 CD GLU A 21 -13.806 9.611 -22.111 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.859 9.840 -21.378 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.899 10.028 -23.254 1.00 0.00 O ATOM 0 H GLU A 21 -16.752 9.559 -19.138 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.150 6.786 -20.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.519 9.332 -19.533 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.797 7.807 -20.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.036 7.835 -22.143 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.894 9.285 -21.662 1.00 0.00 H new ATOM 333 N GLU A 22 -16.618 7.161 -17.245 1.00 0.00 N ATOM 334 CA GLU A 22 -16.393 6.700 -15.831 1.00 0.00 C ATOM 335 C GLU A 22 -16.886 5.246 -15.672 1.00 0.00 C ATOM 336 O GLU A 22 -17.773 4.801 -16.372 1.00 0.00 O ATOM 337 CB GLU A 22 -17.162 7.654 -14.888 1.00 0.00 C ATOM 338 CG GLU A 22 -16.211 8.712 -14.289 1.00 0.00 C ATOM 339 CD GLU A 22 -15.697 9.629 -15.400 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.732 9.214 -16.547 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.277 10.731 -15.087 1.00 0.00 O ATOM 0 H GLU A 22 -17.573 7.448 -17.459 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.332 6.720 -15.582 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.964 8.148 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.629 7.082 -14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.733 9.298 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.374 8.223 -13.791 1.00 0.00 H new ATOM 348 N LEU A 23 -16.281 4.494 -14.766 1.00 11.68 N ATOM 349 CA LEU A 23 -16.670 3.049 -14.563 1.00 7.71 C ATOM 350 C LEU A 23 -17.355 2.854 -13.202 1.00 8.71 C ATOM 351 O LEU A 23 -16.720 2.928 -12.170 1.00 10.83 O ATOM 352 CB LEU A 23 -15.383 2.187 -14.586 1.00 7.16 C ATOM 353 CG LEU A 23 -15.668 0.675 -14.805 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.978 0.232 -14.150 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.729 0.354 -16.294 1.00 2.00 C ATOM 0 H LEU A 23 -15.532 4.822 -14.157 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.360 2.755 -15.354 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.726 2.546 -15.379 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.848 2.318 -13.645 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.848 0.131 -14.336 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.134 -0.832 -14.330 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.928 0.414 -13.077 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.807 0.797 -14.576 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.929 -0.709 -16.429 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.525 0.935 -16.759 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.776 0.606 -16.760 1.00 2.00 H new ATOM 367 N ASN A 24 -18.629 2.559 -13.188 1.00 0.00 N ATOM 368 CA ASN A 24 -19.325 2.300 -11.887 1.00 0.00 C ATOM 369 C ASN A 24 -19.316 0.787 -11.686 1.00 0.00 C ATOM 370 O ASN A 24 -19.700 0.051 -12.574 1.00 0.00 O ATOM 371 CB ASN A 24 -20.775 2.803 -11.953 1.00 0.00 C ATOM 372 CG ASN A 24 -21.589 2.220 -10.793 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.746 1.890 -10.953 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.027 2.078 -9.624 1.00 0.00 N ATOM 0 H ASN A 24 -19.218 2.486 -14.017 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.827 2.817 -11.067 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.793 3.892 -11.908 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.225 2.516 -12.903 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.560 1.690 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.055 2.355 -9.489 1.00 0.00 H new ATOM 381 N PHE A 25 -18.863 0.288 -10.563 1.00 6.72 N ATOM 382 CA PHE A 25 -18.833 -1.189 -10.406 1.00 6.82 C ATOM 383 C PHE A 25 -18.933 -1.579 -8.942 1.00 7.56 C ATOM 384 O PHE A 25 -18.382 -0.942 -8.067 1.00 6.07 O ATOM 385 CB PHE A 25 -17.544 -1.751 -11.027 1.00 9.59 C ATOM 386 CG PHE A 25 -16.281 -1.118 -10.436 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.040 0.268 -10.522 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.318 -1.938 -9.834 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.858 0.810 -10.006 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.137 -1.391 -9.326 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.907 -0.019 -9.409 1.00 12.44 C ATOM 0 H PHE A 25 -18.521 0.828 -9.768 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.692 -1.614 -10.925 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.511 -2.830 -10.873 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.561 -1.583 -12.104 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.770 0.914 -10.988 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.490 -3.002 -9.762 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.681 1.873 -10.070 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.400 -2.034 -8.867 1.00 11.14 H new ATOM 0 HZ PHE A 25 -12.995 0.402 -9.012 1.00 12.44 H new ATOM 401 N GLU A 26 -19.643 -2.641 -8.680 1.00 0.00 N ATOM 402 CA GLU A 26 -19.803 -3.110 -7.281 1.00 0.00 C ATOM 403 C GLU A 26 -18.595 -3.967 -6.928 1.00 0.00 C ATOM 404 O GLU A 26 -17.944 -4.521 -7.790 1.00 0.00 O ATOM 405 CB GLU A 26 -21.102 -3.922 -7.146 1.00 0.00 C ATOM 406 CG GLU A 26 -20.949 -5.307 -7.792 1.00 0.00 C ATOM 407 CD GLU A 26 -20.377 -5.161 -9.202 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.870 -4.321 -9.937 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.454 -5.892 -9.525 1.00 0.00 O ATOM 0 H GLU A 26 -20.121 -3.206 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.865 -2.262 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.359 -4.033 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.923 -3.384 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.292 -5.930 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.916 -5.808 -7.832 1.00 0.00 H new ATOM 416 N LYS A 27 -18.285 -4.078 -5.678 1.00 8.66 N ATOM 417 CA LYS A 27 -17.117 -4.888 -5.289 1.00 8.68 C ATOM 418 C LYS A 27 -17.266 -6.301 -5.852 1.00 6.65 C ATOM 419 O LYS A 27 -18.358 -6.816 -5.986 1.00 10.38 O ATOM 420 CB LYS A 27 -17.028 -4.900 -3.765 1.00 12.96 C ATOM 421 CG LYS A 27 -18.128 -5.800 -3.155 1.00 12.48 C ATOM 422 CD LYS A 27 -17.561 -7.193 -2.821 1.00 20.52 C ATOM 423 CE LYS A 27 -16.870 -7.162 -1.453 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.903 -7.159 -0.376 1.00 29.03 N ATOM 0 H LYS A 27 -18.792 -3.642 -4.908 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.198 -4.465 -5.693 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.046 -5.259 -3.457 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.130 -3.884 -3.383 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.526 -5.337 -2.252 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.957 -5.897 -3.856 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.364 -7.930 -2.816 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.852 -7.500 -3.589 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.217 -8.028 -1.343 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.241 -6.276 -1.371 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.463 -7.425 0.528 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.315 -6.208 -0.293 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.652 -7.842 -0.611 1.00 29.03 H new ATOM 438 N GLY A 28 -16.172 -6.925 -6.202 1.00 5.06 N ATOM 439 CA GLY A 28 -16.247 -8.298 -6.779 1.00 4.39 C ATOM 440 C GLY A 28 -16.511 -8.200 -8.284 1.00 6.18 C ATOM 441 O GLY A 28 -17.330 -8.917 -8.821 1.00 5.61 O ATOM 0 H GLY A 28 -15.231 -6.543 -6.113 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.315 -8.833 -6.596 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.042 -8.866 -6.295 1.00 4.39 H new ATOM 445 N GLU A 29 -15.822 -7.312 -8.963 1.00 7.06 N ATOM 446 CA GLU A 29 -16.024 -7.149 -10.443 1.00 6.19 C ATOM 447 C GLU A 29 -14.710 -7.443 -11.172 1.00 6.67 C ATOM 448 O GLU A 29 -13.745 -6.717 -11.044 1.00 8.12 O ATOM 449 CB GLU A 29 -16.435 -5.692 -10.732 1.00 6.64 C ATOM 450 CG GLU A 29 -17.061 -5.500 -12.149 1.00 9.52 C ATOM 451 CD GLU A 29 -16.808 -6.705 -13.066 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.571 -7.655 -12.993 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.862 -6.651 -13.831 1.00 8.99 O ATOM 0 H GLU A 29 -15.125 -6.689 -8.555 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.798 -7.836 -10.785 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.152 -5.367 -9.978 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.560 -5.049 -10.638 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.135 -5.340 -12.051 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.646 -4.603 -12.609 1.00 9.52 H new ATOM 460 N THR A 30 -14.674 -8.477 -11.956 1.00 0.00 N ATOM 461 CA THR A 30 -13.434 -8.789 -12.718 1.00 0.00 C ATOM 462 C THR A 30 -13.314 -7.766 -13.831 1.00 0.00 C ATOM 463 O THR A 30 -14.072 -7.809 -14.778 1.00 0.00 O ATOM 464 CB THR A 30 -13.585 -10.166 -13.369 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.161 -11.070 -12.435 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.219 -10.677 -13.810 1.00 0.00 C ATOM 0 H THR A 30 -15.449 -9.123 -12.104 1.00 0.00 H new ATOM 0 HA THR A 30 -12.566 -8.773 -12.059 1.00 0.00 H new ATOM 0 HB THR A 30 -14.234 -10.087 -14.241 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.260 -11.952 -12.851 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.329 -11.658 -14.273 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.786 -9.982 -14.530 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.563 -10.757 -12.943 1.00 0.00 H new ATOM 474 N MET A 31 -12.389 -6.847 -13.752 1.00 0.00 N ATOM 475 CA MET A 31 -12.276 -5.844 -14.845 1.00 0.00 C ATOM 476 C MET A 31 -11.076 -6.141 -15.716 1.00 0.00 C ATOM 477 O MET A 31 -9.986 -6.432 -15.269 1.00 0.00 O ATOM 478 CB MET A 31 -12.236 -4.423 -14.265 1.00 0.00 C ATOM 479 CG MET A 31 -13.651 -4.045 -13.739 1.00 0.00 C ATOM 480 SD MET A 31 -13.553 -3.566 -11.992 1.00 0.00 S ATOM 481 CE MET A 31 -12.920 -1.892 -12.262 1.00 0.00 C ATOM 0 H MET A 31 -11.718 -6.749 -12.990 1.00 0.00 H new ATOM 0 HA MET A 31 -13.158 -5.909 -15.482 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.508 -4.368 -13.456 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.918 -3.714 -15.029 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.060 -3.224 -14.328 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.330 -4.890 -13.856 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.374 -1.562 -11.378 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.251 -1.890 -13.123 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.753 -1.214 -12.448 1.00 0.00 H new ATOM 491 N GLU A 32 -11.327 -6.088 -16.981 1.00 0.00 N ATOM 492 CA GLU A 32 -10.309 -6.371 -18.010 1.00 0.00 C ATOM 493 C GLU A 32 -9.626 -5.047 -18.357 1.00 0.00 C ATOM 494 O GLU A 32 -10.183 -4.205 -19.031 1.00 0.00 O ATOM 495 CB GLU A 32 -11.036 -6.988 -19.233 1.00 0.00 C ATOM 496 CG GLU A 32 -12.573 -6.846 -19.066 1.00 0.00 C ATOM 497 CD GLU A 32 -13.258 -7.208 -20.383 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.576 -7.240 -21.392 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.454 -7.454 -20.359 1.00 0.00 O ATOM 0 H GLU A 32 -12.242 -5.848 -17.361 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.549 -7.075 -17.671 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.714 -6.489 -20.147 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.769 -8.040 -19.332 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.926 -7.499 -18.268 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.827 -5.826 -18.779 1.00 0.00 H new ATOM 506 N VAL A 33 -8.445 -4.844 -17.853 1.00 0.00 N ATOM 507 CA VAL A 33 -7.743 -3.555 -18.098 1.00 0.00 C ATOM 508 C VAL A 33 -7.448 -3.350 -19.591 1.00 0.00 C ATOM 509 O VAL A 33 -6.418 -3.764 -20.087 1.00 0.00 O ATOM 510 CB VAL A 33 -6.427 -3.537 -17.312 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.955 -2.091 -17.130 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.646 -4.173 -15.937 1.00 0.00 C ATOM 0 H VAL A 33 -7.933 -5.515 -17.281 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.393 -2.745 -17.767 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.672 -4.100 -17.861 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.019 -2.081 -16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.799 -1.634 -18.107 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.711 -1.528 -16.582 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.711 -4.161 -15.377 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.403 -3.609 -15.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.981 -5.203 -16.062 1.00 0.00 H new ATOM 522 N ILE A 34 -8.327 -2.696 -20.311 1.00 0.00 N ATOM 523 CA ILE A 34 -8.055 -2.461 -21.767 1.00 0.00 C ATOM 524 C ILE A 34 -6.755 -1.653 -21.941 1.00 0.00 C ATOM 525 O ILE A 34 -5.904 -2.002 -22.734 1.00 0.00 O ATOM 526 CB ILE A 34 -9.196 -1.657 -22.422 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.476 -2.508 -22.479 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.778 -1.259 -23.852 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.654 -1.667 -23.004 1.00 0.00 C ATOM 0 H ILE A 34 -9.208 -2.319 -19.962 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.970 -3.438 -22.243 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.392 -0.762 -21.831 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.319 -3.370 -23.127 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.709 -2.893 -21.486 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.581 -0.690 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.876 -0.648 -23.811 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.581 -2.157 -24.437 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.553 -2.282 -23.039 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.820 -0.819 -22.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.424 -1.304 -24.006 1.00 0.00 H new ATOM 541 N GLU A 35 -6.616 -0.551 -21.242 1.00 0.00 N ATOM 542 CA GLU A 35 -5.395 0.295 -21.413 1.00 0.00 C ATOM 543 C GLU A 35 -5.019 0.968 -20.109 1.00 0.00 C ATOM 544 O GLU A 35 -5.824 1.118 -19.210 1.00 0.00 O ATOM 545 CB GLU A 35 -5.667 1.371 -22.479 1.00 0.00 C ATOM 546 CG GLU A 35 -4.347 1.864 -23.081 1.00 0.00 C ATOM 547 CD GLU A 35 -3.808 0.822 -24.061 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.563 0.399 -24.921 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.647 0.462 -23.936 1.00 0.00 O ATOM 0 H GLU A 35 -7.293 -0.203 -20.563 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.570 -0.345 -21.726 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.303 0.963 -23.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.207 2.207 -22.033 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.502 2.814 -23.593 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.620 2.044 -22.289 1.00 0.00 H new ATOM 556 N LYS A 36 -3.770 1.349 -19.994 1.00 0.00 N ATOM 557 CA LYS A 36 -3.281 1.985 -18.744 1.00 0.00 C ATOM 558 C LYS A 36 -2.415 3.221 -19.063 1.00 0.00 C ATOM 559 O LYS A 36 -1.240 3.235 -18.753 1.00 0.00 O ATOM 560 CB LYS A 36 -2.425 0.941 -17.995 1.00 0.00 C ATOM 561 CG LYS A 36 -3.050 -0.470 -18.132 1.00 0.00 C ATOM 562 CD LYS A 36 -2.461 -1.217 -19.344 1.00 0.00 C ATOM 563 CE LYS A 36 -3.353 -2.422 -19.701 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.748 -1.974 -19.965 1.00 0.00 N ATOM 0 H LYS A 36 -3.066 1.243 -20.724 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.127 2.311 -18.138 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.412 0.937 -18.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.350 1.211 -16.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.867 -1.043 -17.223 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.131 -0.384 -18.243 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.387 -0.543 -20.197 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.450 -1.556 -19.117 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.955 -2.930 -20.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.344 -3.144 -18.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.414 -2.705 -19.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.931 -1.089 -19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.874 -1.815 -20.985 1.00 0.00 H new ATOM 578 N PRO A 37 -3.015 4.243 -19.635 1.00 0.00 N ATOM 579 CA PRO A 37 -2.298 5.486 -19.941 1.00 0.00 C ATOM 580 C PRO A 37 -2.074 6.261 -18.649 1.00 0.00 C ATOM 581 O PRO A 37 -2.687 5.999 -17.633 1.00 0.00 O ATOM 582 CB PRO A 37 -3.226 6.274 -20.876 1.00 0.00 C ATOM 583 CG PRO A 37 -4.615 5.602 -20.786 1.00 0.00 C ATOM 584 CD PRO A 37 -4.434 4.251 -20.046 1.00 0.00 C ATOM 0 HA PRO A 37 -1.326 5.306 -20.401 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.281 7.320 -20.576 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.852 6.255 -21.900 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.316 6.242 -20.250 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.028 5.441 -21.782 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.097 4.178 -19.184 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.664 3.408 -20.697 1.00 0.00 H new ATOM 592 N GLU A 38 -1.213 7.222 -18.691 1.00 0.00 N ATOM 593 CA GLU A 38 -0.951 8.046 -17.474 1.00 0.00 C ATOM 594 C GLU A 38 -1.881 9.259 -17.509 1.00 0.00 C ATOM 595 O GLU A 38 -2.526 9.576 -16.533 1.00 0.00 O ATOM 596 CB GLU A 38 0.511 8.511 -17.479 1.00 0.00 C ATOM 597 CG GLU A 38 0.877 9.134 -16.123 1.00 0.00 C ATOM 598 CD GLU A 38 0.346 10.568 -16.035 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.072 11.096 -17.053 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.369 11.115 -14.944 1.00 0.00 O ATOM 0 H GLU A 38 -0.671 7.482 -19.515 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.132 7.462 -16.572 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.168 7.666 -17.688 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.665 9.239 -18.275 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.459 8.534 -15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.959 9.131 -15.994 1.00 0.00 H new ATOM 607 N ASN A 39 -1.958 9.907 -18.648 1.00 0.00 N ATOM 608 CA ASN A 39 -2.841 11.100 -18.830 1.00 0.00 C ATOM 609 C ASN A 39 -2.476 12.182 -17.813 1.00 0.00 C ATOM 610 O ASN A 39 -2.086 13.276 -18.167 1.00 0.00 O ATOM 611 CB ASN A 39 -4.313 10.688 -18.657 1.00 0.00 C ATOM 612 CG ASN A 39 -4.819 10.025 -19.942 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.093 9.909 -20.907 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.047 9.585 -19.991 1.00 0.00 N ATOM 0 H ASN A 39 -1.429 9.649 -19.481 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.698 11.500 -19.834 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.411 9.999 -17.818 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.920 11.563 -18.424 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.397 9.143 -20.841 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.657 9.683 -19.179 1.00 0.00 H new ATOM 621 N ASP A 40 -2.572 11.855 -16.560 1.00 0.00 N ATOM 622 CA ASP A 40 -2.219 12.816 -15.473 1.00 0.00 C ATOM 623 C ASP A 40 -2.730 12.356 -14.080 1.00 0.00 C ATOM 624 O ASP A 40 -1.987 12.391 -13.121 1.00 0.00 O ATOM 625 CB ASP A 40 -2.685 14.273 -15.794 1.00 0.00 C ATOM 626 CG ASP A 40 -1.486 15.143 -16.200 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.582 14.615 -16.827 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.495 16.319 -15.876 1.00 0.00 O ATOM 0 H ASP A 40 -2.887 10.942 -16.231 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.130 12.825 -15.427 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.420 14.257 -16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.177 14.705 -14.922 1.00 0.00 H new ATOM 633 N PRO A 41 -3.964 11.958 -14.007 1.00 0.00 N ATOM 634 CA PRO A 41 -4.579 11.508 -12.748 1.00 0.00 C ATOM 635 C PRO A 41 -3.956 10.178 -12.306 1.00 0.00 C ATOM 636 O PRO A 41 -3.391 10.096 -11.237 1.00 0.00 O ATOM 637 CB PRO A 41 -6.079 11.334 -13.090 1.00 0.00 C ATOM 638 CG PRO A 41 -6.236 11.599 -14.616 1.00 0.00 C ATOM 639 CD PRO A 41 -4.832 11.926 -15.166 1.00 0.00 C ATOM 0 HA PRO A 41 -4.428 12.209 -11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.417 10.329 -12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.688 12.030 -12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.653 10.726 -15.118 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.922 12.427 -14.795 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.505 11.172 -15.882 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.827 12.883 -15.687 1.00 0.00 H new ATOM 647 N GLU A 42 -4.074 9.161 -13.150 1.00 0.00 N ATOM 648 CA GLU A 42 -3.526 7.774 -12.883 1.00 0.00 C ATOM 649 C GLU A 42 -4.629 6.737 -13.183 1.00 0.00 C ATOM 650 O GLU A 42 -4.494 5.567 -12.895 1.00 0.00 O ATOM 651 CB GLU A 42 -3.043 7.605 -11.425 1.00 0.00 C ATOM 652 CG GLU A 42 -4.241 7.601 -10.453 1.00 0.00 C ATOM 653 CD GLU A 42 -3.745 7.474 -9.006 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.801 6.730 -8.790 1.00 0.00 O ATOM 655 OE2 GLU A 42 -4.316 8.122 -8.144 1.00 0.00 O ATOM 0 H GLU A 42 -4.548 9.242 -14.050 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.663 7.622 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.485 6.674 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.360 8.414 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.817 8.519 -10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.909 6.773 -10.691 1.00 0.00 H new ATOM 662 N TRP A 43 -5.724 7.161 -13.766 1.00 14.29 N ATOM 663 CA TRP A 43 -6.829 6.204 -14.080 1.00 10.30 C ATOM 664 C TRP A 43 -6.429 5.282 -15.239 1.00 6.82 C ATOM 665 O TRP A 43 -5.463 5.525 -15.933 1.00 6.91 O ATOM 666 CB TRP A 43 -8.084 6.986 -14.460 1.00 13.39 C ATOM 667 CG TRP A 43 -8.304 8.109 -13.499 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.794 8.184 -12.250 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.101 9.314 -13.686 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.222 9.355 -11.663 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.027 10.086 -12.505 1.00 8.43 C ATOM 672 CE3 TRP A 43 -9.869 9.810 -14.754 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.688 11.301 -12.383 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.540 11.039 -14.636 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.450 11.782 -13.450 1.00 8.17 C ATOM 0 H TRP A 43 -5.900 8.128 -14.038 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.026 5.593 -13.199 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -7.984 7.378 -15.472 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -8.949 6.322 -14.459 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.155 7.446 -11.787 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -7.972 9.645 -10.718 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -9.944 9.243 -15.670 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.613 11.871 -11.468 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.127 11.413 -15.462 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -10.969 12.725 -13.362 1.00 8.17 H new ATOM 686 N TRP A 44 -7.171 4.215 -15.439 1.00 6.17 N ATOM 687 CA TRP A 44 -6.861 3.232 -16.532 1.00 5.58 C ATOM 688 C TRP A 44 -8.128 2.975 -17.357 1.00 6.91 C ATOM 689 O TRP A 44 -9.212 2.886 -16.817 1.00 8.86 O ATOM 690 CB TRP A 44 -6.468 1.877 -15.896 1.00 2.99 C ATOM 691 CG TRP A 44 -5.032 1.795 -15.438 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.058 2.731 -15.594 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.401 0.675 -14.746 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.885 2.248 -15.037 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.047 0.989 -14.507 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.876 -0.576 -14.306 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.191 0.099 -13.856 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.019 -1.474 -13.652 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.678 -1.138 -13.429 1.00 11.72 C ATOM 0 H TRP A 44 -7.992 3.980 -14.882 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.058 3.633 -17.151 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.120 1.687 -15.043 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.651 1.083 -16.620 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.179 3.692 -16.073 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.006 2.765 -15.022 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.908 -0.846 -14.473 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.159 0.366 -13.684 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.396 -2.430 -13.319 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.022 -1.834 -12.928 1.00 11.72 H new ATOM 710 N LYS A 45 -8.002 2.768 -18.644 1.00 0.00 N ATOM 711 CA LYS A 45 -9.215 2.425 -19.429 1.00 0.00 C ATOM 712 C LYS A 45 -9.461 0.956 -19.167 1.00 0.00 C ATOM 713 O LYS A 45 -8.839 0.109 -19.773 1.00 0.00 O ATOM 714 CB LYS A 45 -9.003 2.613 -20.937 1.00 0.00 C ATOM 715 CG LYS A 45 -10.346 2.352 -21.680 1.00 0.00 C ATOM 716 CD LYS A 45 -10.169 2.586 -23.198 1.00 0.00 C ATOM 717 CE LYS A 45 -11.497 2.345 -23.929 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.318 2.611 -25.385 1.00 0.00 N ATOM 0 H LYS A 45 -7.130 2.821 -19.171 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.043 3.071 -19.135 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.650 3.623 -21.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.236 1.928 -21.297 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.678 1.330 -21.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.120 3.013 -21.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.825 3.604 -23.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.403 1.917 -23.590 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.829 1.318 -23.774 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.272 2.995 -23.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.218 2.448 -25.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.020 3.598 -25.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.591 1.973 -25.768 1.00 0.00 H new ATOM 732 N CYS A 46 -10.321 0.636 -18.246 1.00 0.00 N ATOM 733 CA CYS A 46 -10.563 -0.798 -17.925 1.00 0.00 C ATOM 734 C CYS A 46 -11.986 -1.178 -18.259 1.00 0.00 C ATOM 735 O CYS A 46 -12.936 -0.550 -17.835 1.00 0.00 O ATOM 736 CB CYS A 46 -10.310 -1.036 -16.436 1.00 0.00 C ATOM 737 SG CYS A 46 -11.667 -0.332 -15.466 1.00 0.00 S ATOM 0 H CYS A 46 -10.867 1.303 -17.701 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.885 -1.411 -18.518 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.225 -2.104 -16.238 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.365 -0.581 -16.141 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.758 -0.347 -16.172 1.00 0.00 H new ATOM 743 N LYS A 47 -12.139 -2.234 -18.996 1.00 0.00 N ATOM 744 CA LYS A 47 -13.494 -2.694 -19.334 1.00 0.00 C ATOM 745 C LYS A 47 -13.978 -3.510 -18.153 1.00 0.00 C ATOM 746 O LYS A 47 -13.171 -4.120 -17.481 1.00 0.00 O ATOM 747 CB LYS A 47 -13.440 -3.581 -20.579 1.00 0.00 C ATOM 748 CG LYS A 47 -14.757 -4.348 -20.749 1.00 0.00 C ATOM 749 CD LYS A 47 -14.837 -4.924 -22.165 1.00 0.00 C ATOM 750 CE LYS A 47 -16.188 -5.615 -22.357 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.384 -5.942 -23.796 1.00 0.00 N ATOM 0 H LYS A 47 -11.378 -2.796 -19.377 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.158 -1.854 -19.538 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.252 -2.969 -21.461 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.611 -4.284 -20.496 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.819 -5.151 -20.015 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.602 -3.684 -20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.715 -4.129 -22.900 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.026 -5.635 -22.327 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.230 -6.525 -21.758 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.992 -4.966 -22.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.303 -6.412 -23.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.362 -5.067 -24.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.624 -6.577 -24.114 1.00 0.00 H new ATOM 765 N ASN A 48 -15.260 -3.569 -17.871 1.00 0.00 N ATOM 766 CA ASN A 48 -15.673 -4.438 -16.709 1.00 0.00 C ATOM 767 C ASN A 48 -16.099 -5.788 -17.283 1.00 0.00 C ATOM 768 O ASN A 48 -16.859 -5.832 -18.222 1.00 0.00 O ATOM 769 CB ASN A 48 -16.764 -3.770 -15.827 1.00 0.00 C ATOM 770 CG ASN A 48 -18.180 -3.763 -16.424 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.959 -2.896 -16.093 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.588 -4.697 -17.229 1.00 0.00 N ATOM 0 H ASN A 48 -16.009 -3.082 -18.364 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.837 -4.582 -16.025 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.795 -4.284 -14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.467 -2.740 -15.628 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.549 -4.692 -17.571 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.947 -5.436 -17.519 1.00 0.00 H new ATOM 779 N ALA A 49 -15.588 -6.913 -16.800 1.00 0.00 N ATOM 780 CA ALA A 49 -16.012 -8.194 -17.424 1.00 0.00 C ATOM 781 C ALA A 49 -17.537 -8.218 -17.460 1.00 0.00 C ATOM 782 O ALA A 49 -18.143 -8.941 -18.224 1.00 0.00 O ATOM 783 CB ALA A 49 -15.493 -9.383 -16.618 1.00 0.00 C ATOM 0 H ALA A 49 -14.922 -6.985 -16.030 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.603 -8.268 -18.432 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.814 -10.311 -17.091 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.404 -9.351 -16.583 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.890 -9.336 -15.604 1.00 0.00 H new ATOM 789 N ARG A 50 -18.160 -7.389 -16.660 1.00 0.00 N ATOM 790 CA ARG A 50 -19.642 -7.329 -16.680 1.00 0.00 C ATOM 791 C ARG A 50 -20.028 -6.817 -18.065 1.00 0.00 C ATOM 792 O ARG A 50 -21.184 -6.774 -18.442 1.00 0.00 O ATOM 793 CB ARG A 50 -20.154 -6.405 -15.549 1.00 0.00 C ATOM 794 CG ARG A 50 -20.604 -7.251 -14.333 1.00 0.00 C ATOM 795 CD ARG A 50 -20.664 -6.400 -13.032 1.00 0.00 C ATOM 796 NE ARG A 50 -22.016 -6.518 -12.378 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.125 -6.292 -13.035 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.091 -5.874 -14.268 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.276 -6.461 -12.441 1.00 0.00 N ATOM 0 H ARG A 50 -17.705 -6.758 -16.001 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.096 -8.304 -16.502 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.366 -5.714 -15.249 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.987 -5.802 -15.911 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.585 -7.681 -14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.914 -8.083 -14.193 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.890 -6.731 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.458 -5.355 -13.265 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.069 -6.782 -11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.195 -5.720 -14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.961 -5.701 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.308 -6.768 -11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.143 -6.286 -12.949 1.00 0.00 H new ATOM 813 N GLY A 51 -19.031 -6.472 -18.833 1.00 8.07 N ATOM 814 CA GLY A 51 -19.238 -6.006 -20.224 1.00 7.79 C ATOM 815 C GLY A 51 -19.339 -4.475 -20.315 1.00 9.08 C ATOM 816 O GLY A 51 -20.059 -3.964 -21.151 1.00 14.41 O ATOM 0 H GLY A 51 -18.054 -6.496 -18.540 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.413 -6.352 -20.848 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.149 -6.453 -20.623 1.00 7.79 H new ATOM 820 N GLN A 52 -18.625 -3.721 -19.491 1.00 0.00 N ATOM 821 CA GLN A 52 -18.718 -2.212 -19.605 1.00 0.00 C ATOM 822 C GLN A 52 -17.351 -1.550 -19.475 1.00 0.00 C ATOM 823 O GLN A 52 -16.406 -2.156 -19.069 1.00 0.00 O ATOM 824 CB GLN A 52 -19.761 -1.660 -18.589 1.00 0.00 C ATOM 825 CG GLN A 52 -19.152 -0.614 -17.638 1.00 0.00 C ATOM 826 CD GLN A 52 -20.168 -0.237 -16.577 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.623 -1.069 -15.817 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.547 1.002 -16.500 1.00 0.00 N ATOM 0 H GLN A 52 -18.000 -4.071 -18.765 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.072 -1.958 -20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.593 -1.213 -19.133 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.168 -2.485 -18.005 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.253 -1.014 -17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.852 0.271 -18.199 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.160 1.694 -17.142 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.231 1.283 -15.798 1.00 0.00 H new ATOM 837 N VAL A 53 -17.237 -0.294 -19.869 1.00 0.00 N ATOM 838 CA VAL A 53 -15.906 0.393 -19.812 1.00 0.00 C ATOM 839 C VAL A 53 -15.991 1.782 -19.179 1.00 0.00 C ATOM 840 O VAL A 53 -17.012 2.442 -19.195 1.00 0.00 O ATOM 841 CB VAL A 53 -15.346 0.533 -21.235 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.841 0.803 -21.181 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.613 -0.746 -22.040 1.00 0.00 C ATOM 0 H VAL A 53 -18.005 0.276 -20.224 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.252 -0.218 -19.190 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.844 1.370 -21.724 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.452 0.901 -22.195 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.656 1.726 -20.631 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.341 -0.025 -20.679 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.211 -0.633 -23.047 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.131 -1.592 -21.550 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.687 -0.923 -22.096 1.00 0.00 H new ATOM 853 N GLY A 54 -14.887 2.215 -18.629 1.00 3.62 N ATOM 854 CA GLY A 54 -14.813 3.555 -17.978 1.00 3.70 C ATOM 855 C GLY A 54 -13.464 3.697 -17.260 1.00 4.69 C ATOM 856 O GLY A 54 -12.839 2.720 -16.895 1.00 7.25 O ATOM 0 H GLY A 54 -14.016 1.685 -18.604 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.925 4.341 -18.725 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.631 3.672 -17.267 1.00 3.70 H new ATOM 860 N LEU A 55 -13.020 4.902 -17.041 1.00 0.00 N ATOM 861 CA LEU A 55 -11.721 5.116 -16.331 1.00 0.00 C ATOM 862 C LEU A 55 -11.910 4.774 -14.847 1.00 0.00 C ATOM 863 O LEU A 55 -12.995 4.901 -14.311 1.00 0.00 O ATOM 864 CB LEU A 55 -11.312 6.593 -16.495 1.00 0.00 C ATOM 865 CG LEU A 55 -10.474 6.782 -17.773 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.121 6.032 -17.670 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.279 6.269 -18.975 1.00 0.00 C ATOM 0 H LEU A 55 -13.501 5.756 -17.324 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.940 4.479 -16.746 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.202 7.220 -16.541 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.739 6.916 -15.626 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.253 7.842 -17.901 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.550 6.183 -18.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.555 6.418 -16.822 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.305 4.967 -17.529 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.695 6.398 -19.886 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.506 5.212 -18.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.209 6.832 -19.057 1.00 0.00 H new ATOM 879 N VAL A 56 -10.875 4.329 -14.177 1.00 0.00 N ATOM 880 CA VAL A 56 -11.023 3.970 -12.731 1.00 0.00 C ATOM 881 C VAL A 56 -9.642 4.066 -12.036 1.00 0.00 C ATOM 882 O VAL A 56 -8.668 3.598 -12.595 1.00 0.00 O ATOM 883 CB VAL A 56 -11.555 2.523 -12.648 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.430 1.515 -12.920 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.139 2.252 -11.264 1.00 0.00 C ATOM 0 H VAL A 56 -9.941 4.199 -14.565 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.715 4.651 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.332 2.408 -13.404 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.826 0.502 -12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.023 1.684 -13.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.640 1.643 -12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.510 1.228 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.365 2.390 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.959 2.944 -11.073 1.00 0.00 H new ATOM 895 N PRO A 57 -9.561 4.636 -10.839 1.00 3.33 N ATOM 896 CA PRO A 57 -8.268 4.718 -10.140 1.00 2.75 C ATOM 897 C PRO A 57 -7.626 3.327 -10.111 1.00 4.32 C ATOM 898 O PRO A 57 -8.132 2.408 -9.497 1.00 4.76 O ATOM 899 CB PRO A 57 -8.608 5.237 -8.724 1.00 2.92 C ATOM 900 CG PRO A 57 -10.115 5.626 -8.721 1.00 3.30 C ATOM 901 CD PRO A 57 -10.701 5.227 -10.097 1.00 2.53 C ATOM 0 HA PRO A 57 -7.551 5.380 -10.625 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.408 4.470 -7.976 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -7.989 6.098 -8.472 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.642 5.113 -7.917 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.235 6.696 -8.549 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.515 4.511 -9.987 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.107 6.093 -10.620 1.00 2.53 H new ATOM 909 N LYS A 58 -6.528 3.165 -10.795 1.00 0.00 N ATOM 910 CA LYS A 58 -5.854 1.839 -10.844 1.00 0.00 C ATOM 911 C LYS A 58 -5.441 1.388 -9.437 1.00 0.00 C ATOM 912 O LYS A 58 -4.830 0.352 -9.269 1.00 0.00 O ATOM 913 CB LYS A 58 -4.619 1.955 -11.746 1.00 0.00 C ATOM 914 CG LYS A 58 -3.501 2.783 -11.052 1.00 0.00 C ATOM 915 CD LYS A 58 -2.262 2.900 -11.963 1.00 0.00 C ATOM 916 CE LYS A 58 -1.154 3.679 -11.250 1.00 0.00 C ATOM 917 NZ LYS A 58 0.038 3.775 -12.137 1.00 0.00 N ATOM 0 H LYS A 58 -6.065 3.902 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.542 1.094 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.244 0.960 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.895 2.428 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.876 3.778 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.223 2.310 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.903 1.906 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.531 3.403 -12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.507 4.677 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.887 3.181 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.790 4.304 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.379 2.819 -12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.221 4.268 -13.015 1.00 0.00 H new ATOM 931 N ASN A 59 -5.776 2.151 -8.428 1.00 10.56 N ATOM 932 CA ASN A 59 -5.409 1.766 -7.026 1.00 9.74 C ATOM 933 C ASN A 59 -6.641 1.185 -6.320 1.00 9.95 C ATOM 934 O ASN A 59 -6.559 0.682 -5.217 1.00 8.95 O ATOM 935 CB ASN A 59 -4.917 3.014 -6.273 1.00 10.40 C ATOM 936 CG ASN A 59 -3.526 3.407 -6.780 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.136 4.554 -6.690 1.00 14.84 O ATOM 938 ND2 ASN A 59 -2.756 2.497 -7.307 1.00 14.09 N ATOM 0 H ASN A 59 -6.290 3.028 -8.512 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.618 1.017 -7.042 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.615 3.838 -6.420 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.881 2.814 -5.202 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -1.826 2.748 -7.644 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.083 1.534 -7.383 1.00 14.09 H new ATOM 945 N TYR A 60 -7.786 1.254 -6.947 1.00 10.23 N ATOM 946 CA TYR A 60 -9.031 0.716 -6.319 1.00 5.50 C ATOM 947 C TYR A 60 -9.189 -0.767 -6.691 1.00 5.21 C ATOM 948 O TYR A 60 -10.209 -1.372 -6.423 1.00 7.16 O ATOM 949 CB TYR A 60 -10.240 1.507 -6.852 1.00 3.37 C ATOM 950 CG TYR A 60 -10.440 2.781 -6.055 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.340 3.553 -5.665 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.735 3.193 -5.722 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.534 4.734 -4.938 1.00 4.04 C ATOM 954 CE2 TYR A 60 -11.932 4.372 -4.995 1.00 2.69 C ATOM 955 CZ TYR A 60 -10.831 5.146 -4.605 1.00 4.45 C ATOM 956 OH TYR A 60 -11.023 6.310 -3.889 1.00 9.52 O ATOM 0 H TYR A 60 -7.914 1.662 -7.873 1.00 10.23 H new ATOM 0 HA TYR A 60 -8.972 0.814 -5.235 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.087 1.750 -7.903 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.138 0.891 -6.795 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.340 3.238 -5.925 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.584 2.600 -6.027 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.684 5.327 -4.634 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -12.932 4.685 -4.735 1.00 2.69 H new ATOM 0 HH TYR A 60 -11.982 6.450 -3.743 1.00 9.52 H new ATOM 966 N VAL A 61 -8.200 -1.350 -7.311 1.00 5.00 N ATOM 967 CA VAL A 61 -8.303 -2.787 -7.709 1.00 4.84 C ATOM 968 C VAL A 61 -6.918 -3.438 -7.643 1.00 5.03 C ATOM 969 O VAL A 61 -5.906 -2.769 -7.741 1.00 5.61 O ATOM 970 CB VAL A 61 -8.837 -2.878 -9.150 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.021 -1.922 -9.323 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.734 -2.491 -10.143 1.00 2.97 C ATOM 0 H VAL A 61 -7.322 -0.894 -7.561 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.981 -3.304 -7.030 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.158 -3.902 -9.342 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.397 -1.989 -10.344 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.814 -2.195 -8.626 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -9.697 -0.901 -9.122 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.120 -2.558 -11.160 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.408 -1.470 -9.945 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.889 -3.170 -10.030 1.00 2.97 H new ATOM 982 N VAL A 62 -6.865 -4.739 -7.495 1.00 0.00 N ATOM 983 CA VAL A 62 -5.539 -5.446 -7.442 1.00 0.00 C ATOM 984 C VAL A 62 -5.343 -6.196 -8.755 1.00 0.00 C ATOM 985 O VAL A 62 -6.282 -6.446 -9.464 1.00 0.00 O ATOM 986 CB VAL A 62 -5.525 -6.449 -6.286 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.651 -7.468 -6.475 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.183 -7.181 -6.259 1.00 0.00 C ATOM 0 H VAL A 62 -7.681 -5.345 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.741 -4.720 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.670 -5.915 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.639 -8.181 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.610 -6.951 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.507 -7.999 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.174 -7.895 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.039 -7.711 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.378 -6.459 -6.122 1.00 0.00 H new ATOM 998 N VAL A 63 -4.131 -6.555 -9.080 1.00 0.00 N ATOM 999 CA VAL A 63 -3.865 -7.293 -10.360 1.00 0.00 C ATOM 1000 C VAL A 63 -3.525 -8.752 -10.055 1.00 0.00 C ATOM 1001 O VAL A 63 -2.746 -9.048 -9.171 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.690 -6.638 -11.091 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.479 -6.562 -10.159 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.332 -7.470 -12.324 1.00 0.00 C ATOM 0 H VAL A 63 -3.304 -6.370 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.754 -7.255 -10.989 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.972 -5.631 -11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.645 -6.095 -10.683 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.733 -5.969 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.195 -7.568 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.496 -7.005 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.052 -8.477 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.193 -7.521 -12.991 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.113 -9.667 -10.786 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.846 -11.122 -10.558 1.00 0.00 C ATOM 1016 C LEU A 64 -2.938 -11.650 -11.677 1.00 0.00 C ATOM 1017 O LEU A 64 -1.826 -12.078 -11.432 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.184 -11.885 -10.566 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.876 -11.783 -9.191 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.219 -10.316 -8.856 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -7.159 -12.625 -9.196 1.00 0.00 C ATOM 0 H LEU A 64 -4.773 -9.466 -11.538 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.352 -11.266 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.836 -11.478 -11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.010 -12.932 -10.815 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.192 -12.160 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.706 -10.270 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.304 -9.725 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.890 -9.916 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.646 -12.552 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.833 -12.256 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.910 -13.667 -9.399 1.00 0.00 H new ATOM 1033 N SER A 65 -3.396 -11.627 -12.902 1.00 0.00 N ATOM 1034 CA SER A 65 -2.546 -12.134 -14.019 1.00 0.00 C ATOM 1035 C SER A 65 -1.381 -11.168 -14.251 1.00 0.00 C ATOM 1036 O SER A 65 -1.478 -9.988 -13.986 1.00 0.00 O ATOM 1037 CB SER A 65 -3.384 -12.254 -15.299 1.00 0.00 C ATOM 1038 OG SER A 65 -4.255 -13.369 -15.179 1.00 0.00 O ATOM 0 H SER A 65 -4.316 -11.281 -13.176 1.00 0.00 H new ATOM 0 HA SER A 65 -2.155 -13.117 -13.758 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.960 -11.342 -15.459 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.733 -12.376 -16.165 1.00 0.00 H new ATOM 0 HG SER A 65 -3.729 -14.196 -15.167 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.274 -11.665 -14.738 1.00 0.00 N ATOM 1045 CA ASP A 66 0.906 -10.782 -14.983 1.00 0.00 C ATOM 1046 C ASP A 66 1.672 -11.286 -16.208 1.00 0.00 C ATOM 1047 O ASP A 66 1.644 -12.457 -16.529 1.00 0.00 O ATOM 1048 CB ASP A 66 1.823 -10.811 -13.759 1.00 0.00 C ATOM 1049 CG ASP A 66 2.834 -9.666 -13.849 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.600 -8.753 -14.624 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.827 -9.721 -13.141 1.00 0.00 O ATOM 0 H ASP A 66 -0.136 -12.647 -14.977 1.00 0.00 H new ATOM 0 HA ASP A 66 0.569 -9.761 -15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.233 -10.718 -12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.344 -11.767 -13.705 1.00 0.00 H new ATOM 1056 N GLY A 67 2.358 -10.412 -16.895 1.00 0.00 N ATOM 1057 CA GLY A 67 3.126 -10.843 -18.099 1.00 0.00 C ATOM 1058 C GLY A 67 4.488 -11.408 -17.668 1.00 0.00 C ATOM 1059 O GLY A 67 4.728 -12.591 -17.814 1.00 0.00 O ATOM 0 H GLY A 67 2.420 -9.418 -16.674 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.565 -11.599 -18.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.268 -9.998 -18.773 1.00 0.00 H new ATOM 1063 N PRO A 68 5.345 -10.556 -17.144 1.00 0.00 N ATOM 1064 CA PRO A 68 6.679 -10.992 -16.690 1.00 0.00 C ATOM 1065 C PRO A 68 6.531 -12.069 -15.604 1.00 0.00 C ATOM 1066 O PRO A 68 6.423 -11.766 -14.430 1.00 0.00 O ATOM 1067 CB PRO A 68 7.353 -9.713 -16.137 1.00 0.00 C ATOM 1068 CG PRO A 68 6.320 -8.552 -16.259 1.00 0.00 C ATOM 1069 CD PRO A 68 5.064 -9.117 -16.961 1.00 0.00 C ATOM 0 HA PRO A 68 7.275 -11.436 -17.487 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.650 -9.854 -15.098 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.258 -9.482 -16.699 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.065 -8.161 -15.274 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.739 -7.725 -16.832 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.170 -8.963 -16.356 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.890 -8.624 -17.917 1.00 0.00 H new ATOM 1077 N ALA A 69 6.543 -13.321 -15.989 1.00 0.00 N ATOM 1078 CA ALA A 69 6.423 -14.431 -15.003 1.00 0.00 C ATOM 1079 C ALA A 69 7.726 -15.217 -15.020 1.00 0.00 C ATOM 1080 O ALA A 69 7.850 -16.239 -15.664 1.00 0.00 O ATOM 1081 CB ALA A 69 5.268 -15.351 -15.408 1.00 0.00 C ATOM 0 H ALA A 69 6.632 -13.622 -16.960 1.00 0.00 H new ATOM 0 HA ALA A 69 6.229 -14.035 -14.006 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.180 -16.163 -14.687 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.339 -14.781 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.462 -15.764 -16.398 1.00 0.00 H new ATOM 1087 N LEU A 70 8.694 -14.737 -14.310 1.00 0.00 N ATOM 1088 CA LEU A 70 10.014 -15.430 -14.253 1.00 0.00 C ATOM 1089 C LEU A 70 9.964 -16.522 -13.183 1.00 0.00 C ATOM 1090 O LEU A 70 9.648 -16.267 -12.037 1.00 0.00 O ATOM 1091 CB LEU A 70 11.107 -14.414 -13.896 1.00 0.00 C ATOM 1092 CG LEU A 70 11.354 -13.458 -15.082 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.944 -12.140 -14.569 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.338 -14.088 -16.078 1.00 0.00 C ATOM 0 H LEU A 70 8.634 -13.883 -13.756 1.00 0.00 H new ATOM 0 HA LEU A 70 10.236 -15.877 -15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.810 -13.844 -13.016 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.030 -14.936 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 70 10.403 -13.272 -15.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.117 -11.467 -15.409 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.247 -11.677 -13.871 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.888 -12.337 -14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.503 -13.403 -16.909 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.286 -14.286 -15.577 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.925 -15.023 -16.455 1.00 0.00 H new ATOM 1106 N HIS A 71 10.274 -17.736 -13.545 1.00 0.00 N ATOM 1107 CA HIS A 71 10.245 -18.842 -12.545 1.00 0.00 C ATOM 1108 C HIS A 71 8.908 -18.818 -11.799 1.00 0.00 C ATOM 1109 CB HIS A 71 11.389 -18.656 -11.546 1.00 0.00 C ATOM 1110 CG HIS A 71 11.537 -19.902 -10.715 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.590 -20.913 -10.723 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.517 -20.312 -9.845 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.016 -21.872 -9.881 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.185 -21.556 -9.321 1.00 0.00 N ATOM 0 H HIS A 71 10.546 -18.011 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 71 10.360 -19.798 -13.056 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.318 -18.447 -12.076 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.189 -17.799 -10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.409 -19.753 -9.605 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.477 -22.787 -9.683 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.720 -22.109 -8.652 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -14.959 -12.895 6.987 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.954 -13.163 5.918 1.00 0.00 C ATOM 1125 C GLY B 72 -13.460 -11.838 5.337 1.00 0.00 C ATOM 1126 O GLY B 72 -13.505 -11.619 4.143 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.116 -13.728 6.326 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.398 -13.774 5.132 1.00 0.00 H new ATOM 1131 N SER B 73 -12.988 -10.952 6.171 1.00 0.00 N ATOM 1132 CA SER B 73 -12.495 -9.643 5.664 1.00 0.00 C ATOM 1133 C SER B 73 -11.090 -9.820 5.079 1.00 0.00 C ATOM 1134 O SER B 73 -10.374 -10.735 5.429 1.00 0.00 O ATOM 1135 CB SER B 73 -12.440 -8.636 6.814 1.00 0.00 C ATOM 1136 OG SER B 73 -13.644 -8.722 7.567 1.00 0.00 O ATOM 0 H SER B 73 -12.923 -11.079 7.181 1.00 0.00 H new ATOM 0 HA SER B 73 -13.171 -9.277 4.891 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.581 -8.842 7.453 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.312 -7.626 6.424 1.00 0.00 H new ATOM 0 HG SER B 73 -13.614 -8.080 8.307 1.00 0.00 H new ATOM 1142 N MET B 74 -10.694 -8.949 4.189 1.00 0.00 N ATOM 1143 CA MET B 74 -9.338 -9.071 3.584 1.00 0.00 C ATOM 1144 C MET B 74 -8.298 -9.240 4.692 1.00 0.00 C ATOM 1145 O MET B 74 -8.582 -9.045 5.858 1.00 0.00 O ATOM 1146 CB MET B 74 -9.025 -7.809 2.779 1.00 0.00 C ATOM 1147 CG MET B 74 -10.234 -7.442 1.913 1.00 0.00 C ATOM 1148 SD MET B 74 -9.758 -6.167 0.720 1.00 0.00 S ATOM 1149 CE MET B 74 -11.371 -5.359 0.592 1.00 0.00 C ATOM 0 H MET B 74 -11.250 -8.161 3.856 1.00 0.00 H new ATOM 0 HA MET B 74 -9.310 -9.939 2.925 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.783 -6.986 3.452 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.150 -7.974 2.150 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.602 -8.325 1.390 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.049 -7.081 2.541 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.274 -4.444 0.007 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.076 -6.030 0.102 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.736 -5.114 1.590 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.093 -9.602 4.338 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.038 -9.783 5.374 1.00 0.00 C ATOM 1161 C GLY B 75 -4.680 -9.966 4.692 1.00 0.00 C ATOM 1162 O GLY B 75 -3.920 -10.853 5.031 1.00 0.00 O ATOM 0 H GLY B 75 -6.796 -9.779 3.379 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -6.011 -8.917 6.036 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.266 -10.651 5.993 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.368 -9.134 3.736 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.058 -9.261 3.034 1.00 0.00 C ATOM 1168 C VAL B 76 -2.660 -7.902 2.445 1.00 0.00 C ATOM 1169 O VAL B 76 -3.447 -7.275 1.763 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.186 -10.277 1.887 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.223 -9.908 0.760 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.839 -11.683 2.375 1.00 0.00 C ATOM 0 H VAL B 76 -4.963 -8.372 3.410 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.302 -9.595 3.744 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.215 -10.258 1.529 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.317 -10.631 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.463 -8.912 0.388 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.200 -9.918 1.137 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.935 -12.389 1.550 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.814 -11.697 2.747 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.520 -11.968 3.177 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.441 -7.495 2.699 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.918 -6.232 2.172 1.00 0.00 C ATOM 1184 C PRO B 77 -0.633 -6.400 0.698 1.00 0.00 C ATOM 1185 O PRO B 77 -0.549 -7.500 0.191 1.00 0.00 O ATOM 1186 CB PRO B 77 0.383 -5.987 2.941 1.00 0.00 C ATOM 1187 CG PRO B 77 0.672 -7.260 3.772 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.486 -8.238 3.539 1.00 0.00 C ATOM 0 HA PRO B 77 -1.614 -5.401 2.288 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.203 -5.782 2.253 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.287 -5.117 3.591 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.618 -7.708 3.470 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.759 -7.015 4.830 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.144 -9.145 3.041 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.942 -8.544 4.481 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.479 -5.320 0.007 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.198 -5.416 -1.439 1.00 0.00 C ATOM 1198 C ILE B 78 0.914 -4.446 -1.799 1.00 0.00 C ATOM 1199 O ILE B 78 0.819 -3.250 -1.596 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.471 -5.122 -2.216 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.498 -6.183 -1.827 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.177 -5.205 -3.711 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.904 -5.766 -2.237 1.00 0.00 C ATOM 0 H ILE B 78 -0.535 -4.372 0.380 1.00 0.00 H new ATOM 0 HA ILE B 78 0.133 -6.421 -1.698 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.849 -4.125 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.244 -7.130 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.464 -6.348 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.087 -4.995 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.412 -4.474 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.822 -6.206 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.613 -6.542 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.166 -4.831 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.942 -5.626 -3.317 1.00 0.00 H new ATOM 1215 N CYS B 79 1.985 -4.974 -2.307 1.00 0.00 N ATOM 1216 CA CYS B 79 3.146 -4.130 -2.661 1.00 0.00 C ATOM 1217 C CYS B 79 2.730 -3.072 -3.671 1.00 0.00 C ATOM 1218 O CYS B 79 2.318 -3.367 -4.775 1.00 0.00 O ATOM 1219 CB CYS B 79 4.254 -5.010 -3.239 1.00 0.00 C ATOM 1220 SG CYS B 79 5.556 -3.978 -3.944 1.00 0.00 S ATOM 0 H CYS B 79 2.105 -5.970 -2.494 1.00 0.00 H new ATOM 0 HA CYS B 79 3.518 -3.628 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.667 -5.649 -2.458 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.845 -5.668 -4.006 1.00 0.00 H new ATOM 1225 N GLY B 80 2.832 -1.836 -3.288 1.00 0.00 N ATOM 1226 CA GLY B 80 2.441 -0.733 -4.203 1.00 0.00 C ATOM 1227 C GLY B 80 3.378 -0.724 -5.409 1.00 0.00 C ATOM 1228 O GLY B 80 3.251 0.095 -6.299 1.00 0.00 O ATOM 0 H GLY B 80 3.172 -1.539 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.410 -0.864 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.491 0.223 -3.682 1.00 0.00 H new ATOM 1232 N ALA B 81 4.317 -1.625 -5.446 1.00 0.00 N ATOM 1233 CA ALA B 81 5.265 -1.669 -6.591 1.00 0.00 C ATOM 1234 C ALA B 81 4.665 -2.511 -7.715 1.00 0.00 C ATOM 1235 O ALA B 81 4.643 -2.109 -8.863 1.00 0.00 O ATOM 1236 CB ALA B 81 6.589 -2.284 -6.133 1.00 0.00 C ATOM 0 H ALA B 81 4.469 -2.335 -4.730 1.00 0.00 H new ATOM 0 HA ALA B 81 5.446 -0.658 -6.956 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.284 -2.317 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.014 -1.678 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.413 -3.296 -5.768 1.00 0.00 H new ATOM 1242 N CYS B 82 4.180 -3.673 -7.388 1.00 0.00 N ATOM 1243 CA CYS B 82 3.574 -4.558 -8.424 1.00 0.00 C ATOM 1244 C CYS B 82 2.091 -4.748 -8.113 1.00 0.00 C ATOM 1245 O CYS B 82 1.404 -5.511 -8.766 1.00 0.00 O ATOM 1246 CB CYS B 82 4.279 -5.917 -8.401 1.00 0.00 C ATOM 1247 SG CYS B 82 4.633 -6.378 -6.687 1.00 0.00 S ATOM 0 H CYS B 82 4.176 -4.053 -6.441 1.00 0.00 H new ATOM 0 HA CYS B 82 3.687 -4.106 -9.410 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.651 -6.674 -8.871 1.00 0.00 H new ATOM 0 HB3 CYS B 82 5.204 -5.869 -8.975 1.00 0.00 H new ATOM 1252 N ARG B 83 1.590 -4.070 -7.114 1.00 0.00 N ATOM 1253 CA ARG B 83 0.157 -4.224 -6.761 1.00 0.00 C ATOM 1254 C ARG B 83 -0.137 -5.707 -6.560 1.00 0.00 C ATOM 1255 O ARG B 83 -1.157 -6.214 -6.975 1.00 0.00 O ATOM 1256 CB ARG B 83 -0.720 -3.668 -7.887 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.604 -2.136 -7.931 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.459 -1.572 -9.075 1.00 0.00 C ATOM 1259 NE ARG B 83 -0.899 -1.997 -10.400 1.00 0.00 N ATOM 1260 CZ ARG B 83 0.078 -1.344 -10.970 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.496 -0.210 -10.474 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.612 -1.806 -12.069 1.00 0.00 N ATOM 0 H ARG B 83 2.114 -3.418 -6.531 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.061 -3.674 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.413 -4.092 -8.843 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -1.759 -3.959 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -0.929 -1.712 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.438 -1.847 -8.069 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.487 -1.922 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.486 -0.484 -9.016 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.290 -2.815 -10.867 1.00 0.00 H new ATOM 0 HH11 ARG B 83 0.059 0.172 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.260 0.294 -10.925 1.00 0.00 H new ATOM 0 HH21 ARG B 83 0.266 -2.674 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.375 -1.299 -12.517 1.00 0.00 H new ATOM 1276 N ARG B 84 0.765 -6.406 -5.916 1.00 0.00 N ATOM 1277 CA ARG B 84 0.558 -7.861 -5.673 1.00 0.00 C ATOM 1278 C ARG B 84 0.455 -8.092 -4.161 1.00 0.00 C ATOM 1279 O ARG B 84 1.137 -7.436 -3.401 1.00 0.00 O ATOM 1280 CB ARG B 84 1.757 -8.644 -6.226 1.00 0.00 C ATOM 1281 CG ARG B 84 1.715 -8.644 -7.755 1.00 0.00 C ATOM 1282 CD ARG B 84 0.748 -9.729 -8.235 1.00 0.00 C ATOM 1283 NE ARG B 84 1.522 -10.914 -8.702 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.755 -11.903 -7.885 1.00 0.00 C ATOM 1285 NH1 ARG B 84 1.310 -11.856 -6.659 1.00 0.00 N ATOM 1286 NH2 ARG B 84 2.434 -12.939 -8.293 1.00 0.00 N ATOM 0 H ARG B 84 1.638 -6.027 -5.548 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.353 -8.199 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.688 -8.195 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.738 -9.668 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG B 84 1.396 -7.668 -8.121 1.00 0.00 H new ATOM 0 HG3 ARG B 84 2.712 -8.825 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG B 84 0.076 -10.016 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG B 84 0.127 -9.345 -9.044 1.00 0.00 H new ATOM 0 HE ARG B 84 1.869 -10.951 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG B 84 0.780 -11.045 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG B 84 1.492 -12.630 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.783 -12.975 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.617 -13.713 -7.654 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.390 -9.011 -3.759 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.574 -9.312 -2.329 1.00 0.00 C ATOM 1302 C PRO B 85 0.759 -9.692 -1.683 1.00 0.00 C ATOM 1303 O PRO B 85 1.337 -10.716 -1.988 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.574 -10.482 -2.299 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.011 -10.768 -3.752 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.219 -9.823 -4.673 1.00 0.00 C ATOM 0 HA PRO B 85 -0.944 -8.455 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.114 -11.366 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.437 -10.231 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.816 -11.808 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.083 -10.606 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.601 -10.382 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -1.886 -9.196 -5.264 1.00 0.00 H new ATOM 1314 N ILE B 86 1.245 -8.873 -0.787 1.00 0.00 N ATOM 1315 CA ILE B 86 2.541 -9.197 -0.118 1.00 0.00 C ATOM 1316 C ILE B 86 2.317 -10.378 0.830 1.00 0.00 C ATOM 1317 O ILE B 86 1.204 -10.655 1.226 1.00 0.00 O ATOM 1318 CB ILE B 86 3.053 -7.972 0.650 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.354 -6.843 -0.340 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.339 -8.335 1.397 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.146 -5.486 0.342 1.00 0.00 C ATOM 0 H ILE B 86 0.806 -8.001 -0.491 1.00 0.00 H new ATOM 0 HA ILE B 86 3.292 -9.467 -0.860 1.00 0.00 H new ATOM 0 HB ILE B 86 2.294 -7.649 1.362 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.380 -6.926 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.703 -6.927 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.701 -7.463 1.942 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.136 -9.144 2.099 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.096 -8.657 0.682 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.361 -4.686 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.113 -5.403 0.680 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.816 -5.403 1.198 1.00 0.00 H new ATOM 1333 N GLU B 87 3.353 -11.093 1.185 1.00 0.00 N ATOM 1334 CA GLU B 87 3.152 -12.265 2.089 1.00 0.00 C ATOM 1335 C GLU B 87 4.470 -12.663 2.759 1.00 0.00 C ATOM 1336 O GLU B 87 4.960 -13.762 2.594 1.00 0.00 O ATOM 1337 CB GLU B 87 2.615 -13.447 1.275 1.00 0.00 C ATOM 1338 CG GLU B 87 3.321 -13.494 -0.084 1.00 0.00 C ATOM 1339 CD GLU B 87 3.102 -14.866 -0.726 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.052 -15.061 -1.312 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.990 -15.694 -0.619 1.00 0.00 O ATOM 0 H GLU B 87 4.315 -10.921 0.894 1.00 0.00 H new ATOM 0 HA GLU B 87 2.436 -11.991 2.864 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.780 -14.379 1.815 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.539 -13.347 1.134 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.933 -12.710 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.387 -13.305 0.041 1.00 0.00 H new ATOM 1348 N GLY B 88 5.032 -11.776 3.524 1.00 0.00 N ATOM 1349 CA GLY B 88 6.308 -12.078 4.230 1.00 0.00 C ATOM 1350 C GLY B 88 6.642 -10.883 5.109 1.00 0.00 C ATOM 1351 O GLY B 88 6.055 -10.679 6.152 1.00 0.00 O ATOM 0 H GLY B 88 4.659 -10.842 3.694 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.208 -12.980 4.833 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.108 -12.261 3.513 1.00 0.00 H new ATOM 1355 N ARG B 89 7.553 -10.072 4.669 1.00 0.00 N ATOM 1356 CA ARG B 89 7.906 -8.849 5.437 1.00 0.00 C ATOM 1357 C ARG B 89 7.451 -7.658 4.609 1.00 0.00 C ATOM 1358 O ARG B 89 7.839 -7.492 3.470 1.00 0.00 O ATOM 1359 CB ARG B 89 9.411 -8.793 5.672 1.00 0.00 C ATOM 1360 CG ARG B 89 9.798 -9.813 6.742 1.00 0.00 C ATOM 1361 CD ARG B 89 11.225 -9.533 7.226 1.00 0.00 C ATOM 1362 NE ARG B 89 11.994 -10.814 7.326 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.463 -11.875 7.872 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.279 -11.819 8.415 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.130 -12.998 7.891 1.00 0.00 N ATOM 0 H ARG B 89 8.075 -10.203 3.802 1.00 0.00 H new ATOM 0 HA ARG B 89 7.421 -8.846 6.413 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.943 -9.004 4.744 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.704 -7.791 5.987 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.102 -9.759 7.579 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.732 -10.823 6.337 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.725 -8.853 6.536 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.198 -9.039 8.197 1.00 0.00 H new ATOM 0 HE ARG B 89 12.946 -10.859 6.963 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.759 -10.941 8.416 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.872 -12.653 8.839 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.062 -13.044 7.480 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.718 -13.829 8.317 1.00 0.00 H new ATOM 1379 N VAL B 90 6.589 -6.856 5.154 1.00 0.00 N ATOM 1380 CA VAL B 90 6.050 -5.700 4.381 1.00 0.00 C ATOM 1381 C VAL B 90 6.779 -4.409 4.741 1.00 0.00 C ATOM 1382 O VAL B 90 7.357 -4.279 5.804 1.00 0.00 O ATOM 1383 CB VAL B 90 4.564 -5.533 4.711 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.957 -4.415 3.853 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.827 -6.846 4.427 1.00 0.00 C ATOM 0 H VAL B 90 6.230 -6.947 6.104 1.00 0.00 H new ATOM 0 HA VAL B 90 6.194 -5.897 3.319 1.00 0.00 H new ATOM 0 HB VAL B 90 4.461 -5.273 5.764 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.900 -4.304 4.095 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.476 -3.478 4.056 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.063 -4.668 2.798 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.769 -6.728 4.662 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.938 -7.105 3.374 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.249 -7.640 5.043 1.00 0.00 H new ATOM 1395 N VAL B 91 6.717 -3.440 3.866 1.00 0.00 N ATOM 1396 CA VAL B 91 7.355 -2.127 4.139 1.00 0.00 C ATOM 1397 C VAL B 91 6.267 -1.072 4.039 1.00 0.00 C ATOM 1398 O VAL B 91 5.681 -0.873 2.999 1.00 0.00 O ATOM 1399 CB VAL B 91 8.455 -1.845 3.109 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.722 -0.336 3.043 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.735 -2.564 3.534 1.00 0.00 C ATOM 0 H VAL B 91 6.245 -3.507 2.964 1.00 0.00 H new ATOM 0 HA VAL B 91 7.815 -2.121 5.127 1.00 0.00 H new ATOM 0 HB VAL B 91 8.137 -2.201 2.129 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.504 -0.137 2.311 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.809 0.183 2.749 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.043 0.020 4.022 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.522 -2.368 2.806 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.048 -2.201 4.513 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.549 -3.637 3.587 1.00 0.00 H new ATOM 1411 N ASN B 92 5.974 -0.404 5.114 1.00 0.00 N ATOM 1412 CA ASN B 92 4.901 0.623 5.063 1.00 0.00 C ATOM 1413 C ASN B 92 5.504 1.972 4.688 1.00 0.00 C ATOM 1414 O ASN B 92 6.162 2.618 5.480 1.00 0.00 O ATOM 1415 CB ASN B 92 4.224 0.718 6.426 1.00 0.00 C ATOM 1416 CG ASN B 92 3.447 -0.570 6.703 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.504 -0.571 7.469 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.805 -1.675 6.105 1.00 0.00 N ATOM 0 H ASN B 92 6.427 -0.522 6.020 1.00 0.00 H new ATOM 0 HA ASN B 92 4.161 0.342 4.314 1.00 0.00 H new ATOM 0 HB2 ASN B 92 4.970 0.879 7.204 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.550 1.574 6.450 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.293 -2.539 6.281 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.597 -1.673 5.462 1.00 0.00 H new ATOM 1425 N ALA B 93 5.279 2.403 3.479 1.00 0.00 N ATOM 1426 CA ALA B 93 5.833 3.710 3.034 1.00 0.00 C ATOM 1427 C ALA B 93 4.828 4.375 2.094 1.00 0.00 C ATOM 1428 O ALA B 93 3.972 3.721 1.535 1.00 0.00 O ATOM 1429 CB ALA B 93 7.147 3.478 2.291 1.00 0.00 C ATOM 0 H ALA B 93 4.733 1.904 2.777 1.00 0.00 H new ATOM 0 HA ALA B 93 6.015 4.350 3.897 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.554 4.435 1.964 1.00 0.00 H new ATOM 0 HB2 ALA B 93 7.859 2.988 2.955 1.00 0.00 H new ATOM 0 HB3 ALA B 93 6.967 2.845 1.422 1.00 0.00 H new ATOM 1435 N MET B 94 4.918 5.663 1.919 1.00 0.00 N ATOM 1436 CA MET B 94 3.954 6.348 1.017 1.00 0.00 C ATOM 1437 C MET B 94 2.553 6.079 1.534 1.00 0.00 C ATOM 1438 O MET B 94 1.569 6.229 0.837 1.00 0.00 O ATOM 1439 CB MET B 94 4.081 5.787 -0.402 1.00 0.00 C ATOM 1440 CG MET B 94 5.556 5.648 -0.791 1.00 0.00 C ATOM 1441 SD MET B 94 6.221 7.280 -1.200 1.00 0.00 S ATOM 1442 CE MET B 94 7.876 7.050 -0.505 1.00 0.00 C ATOM 0 H MET B 94 5.613 6.267 2.358 1.00 0.00 H new ATOM 0 HA MET B 94 4.159 7.418 0.995 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.590 4.816 -0.461 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.573 6.445 -1.107 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.121 5.208 0.031 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.658 4.977 -1.644 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.341 8.022 -0.343 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.801 6.521 0.445 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.484 6.468 -1.198 1.00 0.00 H new ATOM 1452 N GLY B 95 2.470 5.659 2.755 1.00 0.00 N ATOM 1453 CA GLY B 95 1.144 5.343 3.347 1.00 0.00 C ATOM 1454 C GLY B 95 0.615 4.079 2.676 1.00 0.00 C ATOM 1455 O GLY B 95 -0.575 3.846 2.597 1.00 0.00 O ATOM 0 H GLY B 95 3.266 5.518 3.377 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.233 5.194 4.423 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.452 6.172 3.196 1.00 0.00 H new ATOM 1459 N LYS B 96 1.508 3.272 2.178 1.00 0.00 N ATOM 1460 CA LYS B 96 1.110 2.016 1.483 1.00 0.00 C ATOM 1461 C LYS B 96 1.908 0.838 2.042 1.00 0.00 C ATOM 1462 O LYS B 96 2.374 0.859 3.160 1.00 0.00 O ATOM 1463 CB LYS B 96 1.416 2.165 -0.012 1.00 0.00 C ATOM 1464 CG LYS B 96 0.571 3.300 -0.616 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.199 2.782 -1.834 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.848 3.956 -2.568 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.929 4.537 -1.721 1.00 0.00 N ATOM 0 H LYS B 96 2.514 3.432 2.224 1.00 0.00 H new ATOM 0 HA LYS B 96 0.046 1.833 1.637 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.476 2.375 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.204 1.229 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.125 3.684 0.130 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.215 4.130 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.476 2.249 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.962 2.070 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.100 4.716 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.258 3.621 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.459 5.244 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.575 3.781 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.509 4.992 -0.886 1.00 0.00 H new ATOM 1481 N GLN B 97 2.063 -0.180 1.250 1.00 0.00 N ATOM 1482 CA GLN B 97 2.826 -1.384 1.669 1.00 0.00 C ATOM 1483 C GLN B 97 3.729 -1.759 0.493 1.00 0.00 C ATOM 1484 O GLN B 97 3.353 -1.588 -0.650 1.00 0.00 O ATOM 1485 CB GLN B 97 1.831 -2.508 1.958 1.00 0.00 C ATOM 1486 CG GLN B 97 1.199 -2.277 3.346 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.282 -2.676 3.342 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.963 -2.520 4.336 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.814 -3.190 2.269 1.00 0.00 N ATOM 0 H GLN B 97 1.683 -0.230 0.305 1.00 0.00 H new ATOM 0 HA GLN B 97 3.422 -1.207 2.564 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.057 -2.531 1.191 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.336 -3.474 1.931 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.735 -2.858 4.096 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.297 -1.228 3.626 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.247 -3.323 1.432 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.798 -3.459 2.266 1.00 0.00 H new ATOM 1498 N TRP B 98 4.923 -2.226 0.735 1.00 0.00 N ATOM 1499 CA TRP B 98 5.820 -2.548 -0.414 1.00 0.00 C ATOM 1500 C TRP B 98 6.622 -3.817 -0.132 1.00 0.00 C ATOM 1501 O TRP B 98 7.109 -4.015 0.962 1.00 0.00 O ATOM 1502 CB TRP B 98 6.782 -1.371 -0.610 1.00 0.00 C ATOM 1503 CG TRP B 98 5.996 -0.113 -0.781 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.503 0.646 0.226 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.602 0.543 -2.015 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.825 1.725 -0.319 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.861 1.704 -1.699 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.818 0.241 -3.364 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.347 2.535 -2.694 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.308 1.070 -4.369 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.572 2.216 -4.036 1.00 0.00 C ATOM 0 H TRP B 98 5.313 -2.397 1.662 1.00 0.00 H new ATOM 0 HA TRP B 98 5.222 -2.714 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.447 -1.284 0.249 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.411 -1.542 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.619 0.444 1.281 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.357 2.445 0.231 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.383 -0.639 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.781 3.416 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.482 0.826 -5.407 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.179 2.852 -4.816 1.00 0.00 H new ATOM 1522 N HIS B 99 6.800 -4.664 -1.116 1.00 0.00 N ATOM 1523 CA HIS B 99 7.615 -5.887 -0.867 1.00 0.00 C ATOM 1524 C HIS B 99 8.976 -5.415 -0.369 1.00 0.00 C ATOM 1525 O HIS B 99 9.582 -4.537 -0.949 1.00 0.00 O ATOM 1526 CB HIS B 99 7.819 -6.685 -2.159 1.00 0.00 C ATOM 1527 CG HIS B 99 6.618 -7.544 -2.445 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.832 -7.355 -3.569 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.070 -8.608 -1.777 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.861 -8.285 -3.547 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.962 -9.078 -2.475 1.00 0.00 N ATOM 0 H HIS B 99 6.425 -4.564 -2.059 1.00 0.00 H new ATOM 0 HA HIS B 99 7.109 -6.530 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.991 -6.002 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.707 -7.310 -2.070 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.442 -9.019 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS B 99 4.094 -8.380 -4.302 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.357 -9.859 -2.223 1.00 0.00 H new ATOM 1539 N VAL B 100 9.470 -5.979 0.686 1.00 0.00 N ATOM 1540 CA VAL B 100 10.792 -5.541 1.189 1.00 0.00 C ATOM 1541 C VAL B 100 11.794 -5.620 0.042 1.00 0.00 C ATOM 1542 O VAL B 100 12.884 -5.089 0.107 1.00 0.00 O ATOM 1543 CB VAL B 100 11.222 -6.470 2.319 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.736 -6.384 2.514 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.509 -6.051 3.603 1.00 0.00 C ATOM 0 H VAL B 100 9.019 -6.721 1.221 1.00 0.00 H new ATOM 0 HA VAL B 100 10.743 -4.519 1.564 1.00 0.00 H new ATOM 0 HB VAL B 100 10.958 -7.498 2.071 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.037 -7.050 3.323 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.239 -6.681 1.593 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.013 -5.360 2.765 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.810 -6.710 4.418 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.777 -5.023 3.849 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.431 -6.120 3.460 1.00 0.00 H new ATOM 1555 N GLU B 101 11.425 -6.301 -1.003 1.00 0.00 N ATOM 1556 CA GLU B 101 12.336 -6.453 -2.165 1.00 0.00 C ATOM 1557 C GLU B 101 12.025 -5.399 -3.236 1.00 0.00 C ATOM 1558 O GLU B 101 12.884 -5.031 -4.013 1.00 0.00 O ATOM 1559 CB GLU B 101 12.152 -7.855 -2.756 1.00 0.00 C ATOM 1560 CG GLU B 101 12.902 -7.969 -4.086 1.00 0.00 C ATOM 1561 CD GLU B 101 14.357 -7.540 -3.897 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.061 -8.211 -3.162 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.742 -6.545 -4.490 1.00 0.00 O ATOM 0 H GLU B 101 10.521 -6.763 -1.102 1.00 0.00 H new ATOM 0 HA GLU B 101 13.365 -6.315 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.522 -8.604 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.092 -8.057 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.860 -8.995 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.423 -7.343 -4.839 1.00 0.00 H new ATOM 1570 N HIS B 102 10.806 -4.925 -3.307 1.00 0.00 N ATOM 1571 CA HIS B 102 10.462 -3.913 -4.354 1.00 0.00 C ATOM 1572 C HIS B 102 10.504 -2.498 -3.779 1.00 0.00 C ATOM 1573 O HIS B 102 10.403 -1.531 -4.506 1.00 0.00 O ATOM 1574 CB HIS B 102 9.067 -4.199 -4.920 1.00 0.00 C ATOM 1575 CG HIS B 102 9.071 -5.543 -5.599 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.938 -6.349 -5.692 1.00 0.00 N ATOM 1577 CD2 HIS B 102 10.072 -6.236 -6.236 1.00 0.00 C ATOM 1578 CE1 HIS B 102 8.292 -7.463 -6.361 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.577 -7.444 -6.712 1.00 0.00 N ATOM 0 H HIS B 102 10.039 -5.192 -2.690 1.00 0.00 H new ATOM 0 HA HIS B 102 11.200 -3.984 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.327 -4.185 -4.119 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.783 -3.421 -5.629 1.00 0.00 H new ATOM 0 HD2 HIS B 102 11.090 -5.893 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.615 -8.274 -6.586 1.00 0.00 H new ATOM 0 HE2 HIS B 102 10.089 -8.164 -7.222 1.00 0.00 H new ATOM 1587 N PHE B 103 10.685 -2.349 -2.497 1.00 0.00 N ATOM 1588 CA PHE B 103 10.764 -0.973 -1.946 1.00 0.00 C ATOM 1589 C PHE B 103 12.172 -0.472 -2.210 1.00 0.00 C ATOM 1590 O PHE B 103 13.125 -0.923 -1.606 1.00 0.00 O ATOM 1591 CB PHE B 103 10.475 -0.951 -0.445 1.00 0.00 C ATOM 1592 CG PHE B 103 10.233 0.483 -0.025 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.172 1.207 -0.586 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.077 1.096 0.908 1.00 0.00 C ATOM 1595 CE1 PHE B 103 8.956 2.537 -0.214 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.859 2.428 1.278 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.800 3.148 0.718 1.00 0.00 C ATOM 0 H PHE B 103 10.780 -3.106 -1.820 1.00 0.00 H new ATOM 0 HA PHE B 103 10.017 -0.338 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.603 -1.565 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.314 -1.372 0.109 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.520 0.736 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.896 0.542 1.342 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.137 3.093 -0.647 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.511 2.901 1.998 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.634 4.176 1.005 1.00 0.00 H new ATOM 1607 N VAL B 104 12.318 0.414 -3.146 1.00 0.00 N ATOM 1608 CA VAL B 104 13.674 0.906 -3.502 1.00 0.00 C ATOM 1609 C VAL B 104 13.693 2.422 -3.616 1.00 0.00 C ATOM 1610 O VAL B 104 12.683 3.092 -3.542 1.00 0.00 O ATOM 1611 CB VAL B 104 14.054 0.333 -4.866 1.00 0.00 C ATOM 1612 CG1 VAL B 104 14.022 -1.204 -4.837 1.00 0.00 C ATOM 1613 CG2 VAL B 104 13.064 0.851 -5.915 1.00 0.00 C ATOM 0 H VAL B 104 11.554 0.822 -3.684 1.00 0.00 H new ATOM 0 HA VAL B 104 14.370 0.595 -2.723 1.00 0.00 H new ATOM 0 HB VAL B 104 15.066 0.650 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.296 -1.592 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.729 -1.569 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL B 104 13.018 -1.542 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.326 0.448 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL B 104 12.055 0.534 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.106 1.940 -5.948 1.00 0.00 H new ATOM 1623 N CYS B 105 14.859 2.949 -3.833 1.00 0.00 N ATOM 1624 CA CYS B 105 15.015 4.414 -3.997 1.00 0.00 C ATOM 1625 C CYS B 105 14.242 4.866 -5.234 1.00 0.00 C ATOM 1626 O CYS B 105 14.102 4.134 -6.194 1.00 0.00 O ATOM 1627 CB CYS B 105 16.499 4.717 -4.179 1.00 0.00 C ATOM 1628 SG CYS B 105 16.722 6.325 -4.979 1.00 0.00 S ATOM 0 H CYS B 105 15.726 2.417 -3.905 1.00 0.00 H new ATOM 0 HA CYS B 105 14.630 4.940 -3.124 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.999 4.713 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.965 3.937 -4.781 1.00 0.00 H new ATOM 1633 N ALA B 106 13.734 6.064 -5.221 1.00 0.00 N ATOM 1634 CA ALA B 106 12.969 6.561 -6.394 1.00 0.00 C ATOM 1635 C ALA B 106 13.909 7.296 -7.354 1.00 0.00 C ATOM 1636 O ALA B 106 13.508 8.193 -8.069 1.00 0.00 O ATOM 1637 CB ALA B 106 11.884 7.512 -5.895 1.00 0.00 C ATOM 0 H ALA B 106 13.816 6.722 -4.446 1.00 0.00 H new ATOM 0 HA ALA B 106 12.515 5.725 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.311 7.888 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.219 6.980 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.346 8.348 -5.370 1.00 0.00 H new ATOM 1643 N LYS B 107 15.164 6.919 -7.373 1.00 0.00 N ATOM 1644 CA LYS B 107 16.143 7.589 -8.289 1.00 0.00 C ATOM 1645 C LYS B 107 17.073 6.551 -8.918 1.00 0.00 C ATOM 1646 O LYS B 107 17.542 6.717 -10.026 1.00 0.00 O ATOM 1647 CB LYS B 107 16.996 8.584 -7.490 1.00 0.00 C ATOM 1648 CG LYS B 107 17.945 9.336 -8.430 1.00 0.00 C ATOM 1649 CD LYS B 107 17.136 10.119 -9.476 1.00 0.00 C ATOM 1650 CE LYS B 107 17.905 11.380 -9.889 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.683 12.448 -8.870 1.00 0.00 N ATOM 0 H LYS B 107 15.554 6.176 -6.794 1.00 0.00 H new ATOM 0 HA LYS B 107 15.588 8.108 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.351 9.292 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.569 8.055 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.572 10.019 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.612 8.632 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.950 9.493 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.163 10.393 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.969 11.159 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.569 11.720 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.768 13.381 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.732 12.346 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.394 12.362 -8.116 1.00 0.00 H new ATOM 1665 N CYS B 108 17.360 5.489 -8.211 1.00 0.00 N ATOM 1666 CA CYS B 108 18.286 4.448 -8.760 1.00 0.00 C ATOM 1667 C CYS B 108 17.649 3.064 -8.641 1.00 0.00 C ATOM 1668 O CYS B 108 18.091 2.119 -9.260 1.00 0.00 O ATOM 1669 CB CYS B 108 19.578 4.475 -7.950 1.00 0.00 C ATOM 1670 SG CYS B 108 19.211 4.003 -6.248 1.00 0.00 S ATOM 0 H CYS B 108 16.995 5.296 -7.278 1.00 0.00 H new ATOM 0 HA CYS B 108 18.489 4.656 -9.811 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.308 3.790 -8.382 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.020 5.471 -7.978 1.00 0.00 H new ATOM 1675 N GLU B 109 16.619 2.938 -7.852 1.00 0.00 N ATOM 1676 CA GLU B 109 15.955 1.622 -7.689 1.00 0.00 C ATOM 1677 C GLU B 109 16.842 0.679 -6.883 1.00 0.00 C ATOM 1678 O GLU B 109 17.028 -0.466 -7.236 1.00 0.00 O ATOM 1679 CB GLU B 109 15.647 1.005 -9.060 1.00 0.00 C ATOM 1680 CG GLU B 109 15.165 2.092 -10.029 1.00 0.00 C ATOM 1681 CD GLU B 109 14.238 1.476 -11.078 1.00 0.00 C ATOM 1682 OE1 GLU B 109 13.073 1.285 -10.772 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.709 1.206 -12.171 1.00 0.00 O ATOM 0 H GLU B 109 16.208 3.698 -7.310 1.00 0.00 H new ATOM 0 HA GLU B 109 15.018 1.772 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.539 0.521 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.884 0.233 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.640 2.874 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU B 109 16.019 2.563 -10.516 1.00 0.00 H new ATOM 1690 N LYS B 110 17.367 1.146 -5.779 1.00 0.00 N ATOM 1691 CA LYS B 110 18.211 0.268 -4.919 1.00 0.00 C ATOM 1692 C LYS B 110 17.344 -0.196 -3.737 1.00 0.00 C ATOM 1693 O LYS B 110 16.988 0.606 -2.895 1.00 0.00 O ATOM 1694 CB LYS B 110 19.417 1.054 -4.398 1.00 0.00 C ATOM 1695 CG LYS B 110 20.497 0.079 -3.906 1.00 0.00 C ATOM 1696 CD LYS B 110 20.358 -0.135 -2.397 1.00 0.00 C ATOM 1697 CE LYS B 110 21.453 -1.088 -1.912 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.780 -0.595 -2.376 1.00 0.00 N ATOM 0 H LYS B 110 17.246 2.099 -5.437 1.00 0.00 H new ATOM 0 HA LYS B 110 18.577 -0.587 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.819 1.688 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.111 1.713 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.404 -0.874 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.487 0.473 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.435 0.819 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.375 -0.546 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.437 -1.154 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.272 -2.092 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.525 -0.962 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.952 -0.923 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.791 0.445 -2.354 1.00 0.00 H new ATOM 1712 N PRO B 111 16.986 -1.461 -3.718 1.00 0.00 N ATOM 1713 CA PRO B 111 16.115 -2.004 -2.661 1.00 0.00 C ATOM 1714 C PRO B 111 16.813 -2.050 -1.308 1.00 0.00 C ATOM 1715 O PRO B 111 17.958 -2.436 -1.187 1.00 0.00 O ATOM 1716 CB PRO B 111 15.784 -3.428 -3.117 1.00 0.00 C ATOM 1717 CG PRO B 111 16.653 -3.737 -4.354 1.00 0.00 C ATOM 1718 CD PRO B 111 17.410 -2.447 -4.728 1.00 0.00 C ATOM 0 HA PRO B 111 15.233 -1.378 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.987 -4.142 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.725 -3.515 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.354 -4.543 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO B 111 16.031 -4.070 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.489 -2.600 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO B 111 17.157 -2.117 -5.735 1.00 0.00 H new ATOM 1726 N PHE B 112 16.096 -1.685 -0.286 1.00 0.00 N ATOM 1727 CA PHE B 112 16.673 -1.732 1.091 1.00 0.00 C ATOM 1728 C PHE B 112 16.267 -3.048 1.754 1.00 0.00 C ATOM 1729 O PHE B 112 15.661 -3.057 2.807 1.00 0.00 O ATOM 1730 CB PHE B 112 16.859 -0.329 2.702 1.00 0.00 C ATOM 1731 CG PHE B 112 15.923 0.632 1.061 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.753 0.746 0.305 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.888 1.643 1.015 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.546 1.873 -0.497 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.684 2.765 0.214 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.513 2.886 -0.542 1.00 0.00 C ATOM 0 H PHE B 112 15.133 -1.355 -0.341 1.00 0.00 H new ATOM 0 HA PHE B 112 17.624 -1.437 0.648 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.285 -0.494 3.614 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.854 -0.004 3.006 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.009 -0.036 0.340 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.791 1.554 1.600 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.642 1.962 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.432 3.543 0.177 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.355 3.758 -1.159 1.00 0.00 H new ATOM 1745 N LEU B 113 16.590 -4.157 1.151 1.00 0.00 N ATOM 1746 CA LEU B 113 16.215 -5.470 1.756 1.00 0.00 C ATOM 1747 C LEU B 113 16.398 -5.390 3.271 1.00 0.00 C ATOM 1748 O LEU B 113 15.485 -5.638 4.035 1.00 0.00 O ATOM 1749 CB LEU B 113 17.129 -6.565 1.193 1.00 0.00 C ATOM 1750 CG LEU B 113 16.531 -7.112 -0.106 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.369 -5.972 -1.093 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.458 -8.167 -0.705 1.00 0.00 C ATOM 0 H LEU B 113 17.096 -4.214 0.267 1.00 0.00 H new ATOM 0 HA LEU B 113 15.177 -5.703 1.521 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.124 -6.162 1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.242 -7.369 1.921 1.00 0.00 H new ATOM 0 HG LEU B 113 15.563 -7.566 0.106 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.944 -6.352 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.705 -5.218 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.342 -5.525 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.024 -8.550 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.429 -7.719 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.584 -8.986 0.004 1.00 0.00 H new ATOM 1764 N GLY B 114 17.572 -5.033 3.702 1.00 0.00 N ATOM 1765 CA GLY B 114 17.840 -4.910 5.162 1.00 0.00 C ATOM 1766 C GLY B 114 18.607 -3.614 5.419 1.00 0.00 C ATOM 1767 O GLY B 114 19.405 -3.526 6.330 1.00 0.00 O ATOM 0 H GLY B 114 18.367 -4.818 3.100 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.903 -4.909 5.718 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.418 -5.765 5.512 1.00 0.00 H new ATOM 1771 N HIS B 115 18.372 -2.611 4.615 1.00 0.00 N ATOM 1772 CA HIS B 115 19.092 -1.312 4.798 1.00 0.00 C ATOM 1773 C HIS B 115 18.092 -0.205 5.147 1.00 0.00 C ATOM 1774 O HIS B 115 16.900 -0.430 5.223 1.00 0.00 O ATOM 1775 CB HIS B 115 19.824 -0.948 3.499 1.00 0.00 C ATOM 1776 CG HIS B 115 20.262 -2.203 2.797 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.199 -2.339 1.418 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.769 -3.387 3.268 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.661 -3.567 1.112 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.022 -4.247 2.203 1.00 0.00 N ATOM 0 H HIS B 115 17.712 -2.633 3.838 1.00 0.00 H new ATOM 0 HA HIS B 115 19.812 -1.412 5.610 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.168 -0.367 2.851 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.689 -0.323 3.720 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.945 -3.617 4.308 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.731 -3.954 0.106 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.401 -5.193 2.247 1.00 0.00 H new ATOM 1788 N ARG B 116 18.575 0.990 5.358 1.00 0.00 N ATOM 1789 CA ARG B 116 17.668 2.125 5.702 1.00 0.00 C ATOM 1790 C ARG B 116 17.299 2.885 4.426 1.00 0.00 C ATOM 1791 O ARG B 116 18.103 3.019 3.522 1.00 0.00 O ATOM 1792 CB ARG B 116 18.391 3.072 6.672 1.00 0.00 C ATOM 1793 CG ARG B 116 17.678 4.429 6.711 1.00 0.00 C ATOM 1794 CD ARG B 116 18.177 5.235 7.913 1.00 0.00 C ATOM 1795 NE ARG B 116 17.333 6.452 8.079 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.375 7.127 9.194 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.158 6.740 10.163 1.00 0.00 N ATOM 1798 NH2 ARG B 116 16.637 8.193 9.338 1.00 0.00 N ATOM 0 H ARG B 116 19.565 1.231 5.307 1.00 0.00 H new ATOM 0 HA ARG B 116 16.761 1.743 6.171 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.413 2.635 7.670 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.427 3.205 6.359 1.00 0.00 H new ATOM 0 HG2 ARG B 116 17.867 4.978 5.788 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.600 4.283 6.780 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.136 4.625 8.816 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.219 5.519 7.767 1.00 0.00 H new ATOM 0 HE ARG B 116 16.723 6.757 7.321 1.00 0.00 H new ATOM 0 HH11 ARG B 116 18.738 5.909 10.049 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.190 7.269 11.035 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.028 8.498 8.579 1.00 0.00 H new ATOM 0 HH22 ARG B 116 16.669 8.722 10.210 1.00 0.00 H new ATOM 1812 N HIS B 117 16.096 3.395 4.349 1.00 0.00 N ATOM 1813 CA HIS B 117 15.683 4.162 3.134 1.00 0.00 C ATOM 1814 C HIS B 117 15.396 5.607 3.517 1.00 0.00 C ATOM 1815 O HIS B 117 15.341 5.960 4.679 1.00 0.00 O ATOM 1816 CB HIS B 117 14.423 3.556 2.526 1.00 0.00 C ATOM 1817 CG HIS B 117 13.449 3.222 3.622 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.466 2.003 4.282 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.422 3.941 4.185 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.479 2.024 5.198 1.00 0.00 C ATOM 1821 NE2 HIS B 117 11.812 3.182 5.180 1.00 0.00 N ATOM 0 H HIS B 117 15.383 3.314 5.074 1.00 0.00 H new ATOM 0 HA HIS B 117 16.492 4.120 2.405 1.00 0.00 H new ATOM 0 HB2 HIS B 117 13.971 4.257 1.824 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.674 2.658 1.962 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.132 4.941 3.899 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.254 1.205 5.865 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.024 3.452 5.769 1.00 0.00 H new ATOM 1829 N TYR B 118 15.229 6.445 2.538 1.00 0.00 N ATOM 1830 CA TYR B 118 14.964 7.879 2.802 1.00 0.00 C ATOM 1831 C TYR B 118 13.784 8.336 1.938 1.00 0.00 C ATOM 1832 O TYR B 118 13.668 7.963 0.787 1.00 0.00 O ATOM 1833 CB TYR B 118 16.239 8.645 2.465 1.00 0.00 C ATOM 1834 CG TYR B 118 17.402 7.921 3.113 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.808 6.667 2.628 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.053 8.479 4.220 1.00 0.00 C ATOM 1837 CE1 TYR B 118 18.855 5.980 3.246 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.096 7.783 4.838 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.495 6.537 4.355 1.00 0.00 C ATOM 1840 OH TYR B 118 20.522 5.855 4.977 1.00 0.00 O ATOM 0 H TYR B 118 15.266 6.192 1.551 1.00 0.00 H new ATOM 0 HA TYR B 118 14.699 8.060 3.844 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.377 8.699 1.385 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.176 9.670 2.830 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.309 6.233 1.774 1.00 0.00 H new ATOM 0 HD2 TYR B 118 17.750 9.445 4.596 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.169 5.019 2.867 1.00 0.00 H new ATOM 0 HE2 TYR B 118 19.595 8.212 5.694 1.00 0.00 H new ATOM 0 HH TYR B 118 20.770 5.075 4.438 1.00 0.00 H new ATOM 1850 N GLU B 119 12.885 9.110 2.493 1.00 0.00 N ATOM 1851 CA GLU B 119 11.681 9.552 1.719 1.00 0.00 C ATOM 1852 C GLU B 119 11.782 11.026 1.335 1.00 0.00 C ATOM 1853 O GLU B 119 12.341 11.836 2.049 1.00 0.00 O ATOM 1854 CB GLU B 119 10.433 9.347 2.583 1.00 0.00 C ATOM 1855 CG GLU B 119 9.972 7.890 2.482 1.00 0.00 C ATOM 1856 CD GLU B 119 8.897 7.621 3.532 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.735 7.844 3.235 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.250 7.194 4.620 1.00 0.00 O ATOM 0 H GLU B 119 12.932 9.456 3.451 1.00 0.00 H new ATOM 0 HA GLU B 119 11.620 8.961 0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.651 9.599 3.621 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.637 10.015 2.254 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.579 7.690 1.485 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.818 7.219 2.632 1.00 0.00 H new ATOM 1865 N ARG B 120 11.218 11.380 0.210 1.00 0.00 N ATOM 1866 CA ARG B 120 11.252 12.805 -0.235 1.00 0.00 C ATOM 1867 C ARG B 120 10.035 13.118 -1.111 1.00 0.00 C ATOM 1868 O ARG B 120 9.739 12.422 -2.063 1.00 0.00 O ATOM 1869 CB ARG B 120 12.519 13.071 -1.039 1.00 0.00 C ATOM 1870 CG ARG B 120 12.609 14.569 -1.381 1.00 0.00 C ATOM 1871 CD ARG B 120 12.710 14.752 -2.896 1.00 0.00 C ATOM 1872 NE ARG B 120 11.621 13.989 -3.570 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.344 14.217 -4.826 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.023 15.112 -5.489 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.391 13.547 -5.414 1.00 0.00 N ATOM 0 H ARG B 120 10.734 10.742 -0.422 1.00 0.00 H new ATOM 0 HA ARG B 120 11.236 13.441 0.650 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.395 12.765 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.512 12.479 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.731 15.091 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.478 15.011 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.636 15.810 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.681 14.406 -3.249 1.00 0.00 H new ATOM 0 HE ARG B 120 11.092 13.289 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.769 15.632 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.808 15.292 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.864 12.846 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.173 13.724 -6.395 1.00 0.00 H new ATOM 1889 N LYS B 121 9.337 14.171 -0.792 1.00 0.00 N ATOM 1890 CA LYS B 121 8.143 14.567 -1.588 1.00 0.00 C ATOM 1891 C LYS B 121 7.218 13.374 -1.741 1.00 0.00 C ATOM 1892 O LYS B 121 6.411 13.312 -2.647 1.00 0.00 O ATOM 1893 CB LYS B 121 8.573 15.063 -2.967 1.00 0.00 C ATOM 1894 CG LYS B 121 9.318 16.393 -2.830 1.00 0.00 C ATOM 1895 CD LYS B 121 9.414 17.072 -4.197 1.00 0.00 C ATOM 1896 CE LYS B 121 10.110 18.423 -4.050 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.195 19.383 -3.371 1.00 0.00 N ATOM 0 H LYS B 121 9.546 14.782 -0.003 1.00 0.00 H new ATOM 0 HA LYS B 121 7.619 15.371 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.215 14.324 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.700 15.189 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.797 17.042 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.316 16.222 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.968 16.439 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.418 17.209 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.028 18.310 -3.474 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.394 18.806 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.554 20.351 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.245 19.310 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.147 19.158 -2.357 1.00 0.00 H new ATOM 1911 N GLY B 122 7.322 12.428 -0.859 1.00 0.00 N ATOM 1912 CA GLY B 122 6.437 11.244 -0.954 1.00 0.00 C ATOM 1913 C GLY B 122 7.062 10.207 -1.880 1.00 0.00 C ATOM 1914 O GLY B 122 6.379 9.456 -2.546 1.00 0.00 O ATOM 0 H GLY B 122 7.979 12.423 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.281 10.815 0.036 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.458 11.539 -1.331 1.00 0.00 H new ATOM 1918 N LEU B 123 8.359 10.163 -1.920 1.00 0.00 N ATOM 1919 CA LEU B 123 9.054 9.174 -2.788 1.00 0.00 C ATOM 1920 C LEU B 123 10.306 8.684 -2.072 1.00 0.00 C ATOM 1921 O LEU B 123 10.972 9.429 -1.382 1.00 0.00 O ATOM 1922 CB LEU B 123 9.441 9.818 -4.119 1.00 0.00 C ATOM 1923 CG LEU B 123 8.251 9.814 -5.078 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.665 10.505 -6.378 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.824 8.366 -5.371 1.00 0.00 C ATOM 0 H LEU B 123 8.975 10.774 -1.385 1.00 0.00 H new ATOM 0 HA LEU B 123 8.387 8.336 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.778 10.841 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.276 9.276 -4.563 1.00 0.00 H new ATOM 0 HG LEU B 123 7.411 10.344 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.824 10.509 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.965 11.531 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.502 9.968 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.975 8.368 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.655 7.827 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.539 7.875 -4.440 1.00 0.00 H new ATOM 1937 N ALA B 124 10.621 7.429 -2.212 1.00 0.00 N ATOM 1938 CA ALA B 124 11.818 6.889 -1.521 1.00 0.00 C ATOM 1939 C ALA B 124 13.091 7.317 -2.234 1.00 0.00 C ATOM 1940 O ALA B 124 13.111 7.542 -3.429 1.00 0.00 O ATOM 1941 CB ALA B 124 11.764 5.364 -1.512 1.00 0.00 C ATOM 0 H ALA B 124 10.101 6.756 -2.775 1.00 0.00 H new ATOM 0 HA ALA B 124 11.823 7.277 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.645 4.972 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.866 5.035 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.742 4.995 -2.537 1.00 0.00 H new ATOM 1947 N TYR B 125 14.168 7.405 -1.504 1.00 0.00 N ATOM 1948 CA TYR B 125 15.459 7.784 -2.119 1.00 0.00 C ATOM 1949 C TYR B 125 16.583 7.205 -1.281 1.00 0.00 C ATOM 1950 O TYR B 125 16.519 7.205 -0.075 1.00 0.00 O ATOM 1951 CB TYR B 125 15.591 9.299 -2.150 1.00 0.00 C ATOM 1952 CG TYR B 125 14.732 9.843 -3.250 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.195 9.840 -4.567 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.471 10.347 -2.951 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.379 10.346 -5.591 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.663 10.853 -3.960 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.112 10.854 -5.284 1.00 0.00 C ATOM 1958 OH TYR B 125 12.308 11.356 -6.286 1.00 0.00 O ATOM 0 H TYR B 125 14.204 7.228 -0.500 1.00 0.00 H new ATOM 0 HA TYR B 125 15.507 7.399 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.289 9.723 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.631 9.583 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.176 9.450 -4.797 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.119 10.345 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.728 10.343 -6.613 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.686 11.247 -3.722 1.00 0.00 H new ATOM 0 HH TYR B 125 11.367 11.223 -6.048 1.00 0.00 H new ATOM 1968 N CYS B 126 17.616 6.713 -1.892 1.00 0.00 N ATOM 1969 CA CYS B 126 18.716 6.155 -1.073 1.00 0.00 C ATOM 1970 C CYS B 126 19.225 7.254 -0.133 1.00 0.00 C ATOM 1971 O CYS B 126 18.780 8.382 -0.185 1.00 0.00 O ATOM 1972 CB CYS B 126 19.878 5.716 -1.965 1.00 0.00 C ATOM 1973 SG CYS B 126 19.393 4.288 -2.952 1.00 0.00 S ATOM 0 H CYS B 126 17.746 6.673 -2.903 1.00 0.00 H new ATOM 0 HA CYS B 126 18.344 5.295 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.175 6.536 -2.619 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.744 5.467 -1.352 1.00 0.00 H new ATOM 1978 N GLU B 127 20.165 6.934 0.706 1.00 0.00 N ATOM 1979 CA GLU B 127 20.724 7.962 1.633 1.00 0.00 C ATOM 1980 C GLU B 127 21.410 9.062 0.819 1.00 0.00 C ATOM 1981 O GLU B 127 21.396 10.222 1.180 1.00 0.00 O ATOM 1982 CB GLU B 127 21.777 7.317 2.539 1.00 0.00 C ATOM 1983 CG GLU B 127 22.195 8.304 3.634 1.00 0.00 C ATOM 1984 CD GLU B 127 22.926 7.553 4.748 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.432 6.477 4.477 1.00 0.00 O ATOM 1986 OE2 GLU B 127 22.966 8.067 5.854 1.00 0.00 O ATOM 0 H GLU B 127 20.574 6.004 0.793 1.00 0.00 H new ATOM 0 HA GLU B 127 19.913 8.379 2.231 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.376 6.409 2.989 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.646 7.024 1.950 1.00 0.00 H new ATOM 0 HG2 GLU B 127 22.842 9.075 3.215 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.317 8.809 4.037 1.00 0.00 H new ATOM 1993 N THR B 128 22.037 8.692 -0.262 1.00 0.00 N ATOM 1994 CA THR B 128 22.765 9.691 -1.098 1.00 0.00 C ATOM 1995 C THR B 128 21.836 10.344 -2.116 1.00 0.00 C ATOM 1996 O THR B 128 21.879 11.541 -2.312 1.00 0.00 O ATOM 1997 CB THR B 128 23.913 8.995 -1.833 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.854 8.513 -0.886 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.593 9.988 -2.775 1.00 0.00 C ATOM 0 H THR B 128 22.078 7.733 -0.606 1.00 0.00 H new ATOM 0 HA THR B 128 23.153 10.469 -0.441 1.00 0.00 H new ATOM 0 HB THR B 128 23.522 8.159 -2.413 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.589 8.065 -1.354 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.410 9.492 -3.298 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.868 10.356 -3.501 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.986 10.825 -2.199 1.00 0.00 H new ATOM 2007 N HIS B 129 21.004 9.592 -2.771 1.00 0.00 N ATOM 2008 CA HIS B 129 20.111 10.214 -3.768 1.00 0.00 C ATOM 2009 C HIS B 129 19.138 11.112 -3.036 1.00 0.00 C ATOM 2010 O HIS B 129 18.907 12.239 -3.423 1.00 0.00 O ATOM 2011 CB HIS B 129 19.375 9.127 -4.551 1.00 0.00 C ATOM 2012 CG HIS B 129 20.398 8.304 -5.300 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.333 6.912 -5.426 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.540 8.676 -5.967 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.403 6.523 -6.140 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.171 7.555 -6.494 1.00 0.00 N ATOM 0 H HIS B 129 20.906 8.583 -2.658 1.00 0.00 H new ATOM 0 HA HIS B 129 20.683 10.808 -4.481 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.801 8.494 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.665 9.575 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.896 9.691 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.616 5.496 -6.397 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.035 7.527 -7.035 1.00 0.00 H new ATOM 2024 N TYR B 130 18.603 10.653 -1.947 1.00 0.00 N ATOM 2025 CA TYR B 130 17.690 11.506 -1.176 1.00 0.00 C ATOM 2026 C TYR B 130 18.397 12.817 -0.938 1.00 0.00 C ATOM 2027 O TYR B 130 17.923 13.882 -1.276 1.00 0.00 O ATOM 2028 CB TYR B 130 17.437 10.848 0.171 1.00 0.00 C ATOM 2029 CG TYR B 130 16.736 11.818 1.086 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.763 12.679 0.575 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.062 11.861 2.447 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.116 13.576 1.418 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.410 12.761 3.293 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.435 13.619 2.779 1.00 0.00 C ATOM 2035 OH TYR B 130 14.789 14.511 3.612 1.00 0.00 O ATOM 0 H TYR B 130 18.763 9.722 -1.562 1.00 0.00 H new ATOM 0 HA TYR B 130 16.748 11.653 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.830 9.952 0.041 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.381 10.531 0.615 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.513 12.648 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.818 11.198 2.843 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.364 14.242 1.020 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.659 12.793 4.343 1.00 0.00 H new ATOM 0 HH TYR B 130 15.337 15.317 3.716 1.00 0.00 H new ATOM 2045 N ASN B 131 19.542 12.721 -0.347 1.00 0.00 N ATOM 2046 CA ASN B 131 20.320 13.937 -0.063 1.00 0.00 C ATOM 2047 C ASN B 131 20.726 14.585 -1.380 1.00 0.00 C ATOM 2048 O ASN B 131 20.597 15.781 -1.555 1.00 0.00 O ATOM 2049 CB ASN B 131 21.563 13.584 0.753 1.00 0.00 C ATOM 2050 CG ASN B 131 21.174 13.371 2.217 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.084 14.315 2.979 1.00 0.00 O ATOM 2052 ND2 ASN B 131 20.937 12.162 2.646 1.00 0.00 N ATOM 0 H ASN B 131 19.974 11.847 -0.047 1.00 0.00 H new ATOM 0 HA ASN B 131 19.712 14.634 0.515 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.027 12.682 0.355 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.300 14.383 0.675 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.676 12.008 3.620 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.012 11.370 2.007 1.00 0.00 H new ATOM 2059 N GLN B 132 21.194 13.814 -2.325 1.00 0.00 N ATOM 2060 CA GLN B 132 21.568 14.429 -3.630 1.00 0.00 C ATOM 2061 C GLN B 132 20.350 15.191 -4.121 1.00 0.00 C ATOM 2062 O GLN B 132 20.442 16.237 -4.730 1.00 0.00 O ATOM 2063 CB GLN B 132 21.943 13.347 -4.652 1.00 0.00 C ATOM 2064 CG GLN B 132 22.776 13.969 -5.774 1.00 0.00 C ATOM 2065 CD GLN B 132 24.199 14.229 -5.274 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.462 14.157 -4.090 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.133 14.526 -6.133 1.00 0.00 N ATOM 0 H GLN B 132 21.331 12.806 -2.253 1.00 0.00 H new ATOM 0 HA GLN B 132 22.430 15.085 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.507 12.552 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.042 12.893 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.799 13.302 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.320 14.902 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.911 14.586 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.086 14.698 -5.811 1.00 0.00 H new ATOM 2076 N LEU B 133 19.200 14.660 -3.827 1.00 0.00 N ATOM 2077 CA LEU B 133 17.932 15.320 -4.227 1.00 0.00 C ATOM 2078 C LEU B 133 17.631 16.466 -3.263 1.00 0.00 C ATOM 2079 O LEU B 133 17.092 17.488 -3.646 1.00 0.00 O ATOM 2080 CB LEU B 133 16.789 14.294 -4.165 1.00 0.00 C ATOM 2081 CG LEU B 133 16.600 13.608 -5.527 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.443 12.336 -5.610 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.129 13.239 -5.697 1.00 0.00 C ATOM 0 H LEU B 133 19.084 13.783 -3.319 1.00 0.00 H new ATOM 0 HA LEU B 133 18.025 15.710 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.006 13.546 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.864 14.790 -3.871 1.00 0.00 H new ATOM 0 HG LEU B 133 16.916 14.293 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.296 11.865 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.496 12.589 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.139 11.646 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.985 12.751 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.830 12.560 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.520 14.142 -5.653 1.00 0.00 H new ATOM 2095 N PHE B 134 17.959 16.301 -2.014 1.00 0.00 N ATOM 2096 CA PHE B 134 17.678 17.376 -1.020 1.00 0.00 C ATOM 2097 C PHE B 134 18.583 17.213 0.199 1.00 0.00 C ATOM 2098 O PHE B 134 19.600 17.867 0.328 1.00 0.00 O ATOM 2099 CB PHE B 134 16.211 17.272 -0.578 1.00 0.00 C ATOM 2100 CG PHE B 134 15.339 18.048 -1.533 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.164 19.427 -1.363 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.711 17.387 -2.591 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.355 20.143 -2.254 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.901 18.103 -3.484 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.724 19.482 -3.313 1.00 0.00 C ATOM 0 H PHE B 134 18.410 15.468 -1.636 1.00 0.00 H new ATOM 0 HA PHE B 134 17.867 18.348 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.901 16.227 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.097 17.662 0.433 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.652 19.937 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.849 16.324 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.218 21.206 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.415 17.592 -4.302 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.100 20.035 -3.999 1.00 0.00 H new ATOM 2115 N GLY B 135 18.214 16.347 1.095 1.00 0.00 N ATOM 2116 CA GLY B 135 19.038 16.135 2.322 1.00 0.00 C ATOM 2117 C GLY B 135 18.614 17.130 3.402 1.00 0.00 C ATOM 2118 O GLY B 135 19.408 17.557 4.215 1.00 0.00 O ATOM 0 H GLY B 135 17.374 15.772 1.034 1.00 0.00 H new ATOM 0 HA2 GLY B 135 18.913 15.115 2.684 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.095 16.264 2.089 1.00 0.00 H new ATOM 2122 N ASP B 136 17.364 17.502 3.414 1.00 0.00 N ATOM 2123 CA ASP B 136 16.885 18.471 4.440 1.00 0.00 C ATOM 2124 C ASP B 136 17.837 19.666 4.500 1.00 0.00 C ATOM 2125 O ASP B 136 18.306 20.047 5.553 1.00 0.00 O ATOM 2126 CB ASP B 136 16.840 17.786 5.808 1.00 0.00 C ATOM 2127 CG ASP B 136 15.661 16.812 5.853 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.101 16.541 4.803 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.337 16.356 6.937 1.00 0.00 O ATOM 0 H ASP B 136 16.654 17.177 2.758 1.00 0.00 H new ATOM 0 HA ASP B 136 15.886 18.816 4.173 1.00 0.00 H new ATOM 0 HB2 ASP B 136 17.773 17.253 5.990 1.00 0.00 H new ATOM 0 HB3 ASP B 136 16.740 18.532 6.597 1.00 0.00 H new ATOM 2134 N VAL B 137 18.129 20.261 3.376 1.00 0.00 N ATOM 2135 CA VAL B 137 19.050 21.433 3.370 1.00 0.00 C ATOM 2136 C VAL B 137 18.884 22.205 2.059 1.00 0.00 C ATOM 2137 O VAL B 137 19.311 21.999 2.064 1.00 0.00 O ATOM 2138 CB VAL B 137 20.494 20.943 3.493 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.864 20.124 2.255 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.432 22.149 3.604 1.00 0.00 C ATOM 0 H VAL B 137 17.770 19.986 2.462 1.00 0.00 H new ATOM 0 HA VAL B 137 18.814 22.087 4.209 1.00 0.00 H new ATOM 0 HB VAL B 137 20.592 20.320 4.382 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.893 19.775 2.344 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.196 19.267 2.173 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.767 20.746 1.365 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.462 21.802 3.692 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.333 22.770 2.714 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.170 22.734 4.486 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 6.108 -5.961 -4.972 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.916 5.689 -4.715 1.00 0.00 ZN