USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=25 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= -26.3! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1.02 K(o=-27,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -157:sc= -1.18 (180deg=-3.25!) USER MOD Set 2.2: A 46 CYS SG : rot 14:sc= 0.622 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -170:sc= -0.413 (180deg=-0.515) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.8) USER MOD Single : A 11 THR OG1 : rot -133:sc= 1.03! 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= -2.74 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 24 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00637 (180deg=-0.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -16.5! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0274 K(o=-0.027,f=-2.1!) 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= -0.0157 K(o=-0.016,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 70:sc= -3.6! USER MOD Single : A 71 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-1.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.15! K(o=-4.1!,f=-0.41) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.23 (180deg=-3.23!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0997) USER MOD Single : B 97 GLN : amide:sc= -7! K(o=-7!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -154:sc= -1.08 (180deg=-2.68!) USER MOD Single : B 110 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-0.954) USER MOD Single : B 115 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-0.56) USER MOD Single : B 117 HIS : no HD1:sc= -0.431 K(o=-0.43,f=-1.1) USER MOD Single : B 118 TYR OH : rot 7:sc= -0.583 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc= -0.011 (180deg=-0.211) 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 -102:sc= 0.718 USER MOD Single : B 131 ASN : amide:sc= -0.573 K(o=-0.57,f=-5.4!) USER MOD Single : B 132 GLN : amide:sc= -0.703 K(o=-0.7,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.834 -9.812 -28.494 1.00 0.00 N ATOM 2 CA GLN A 1 -11.671 -9.375 -29.317 1.00 0.00 C ATOM 3 C GLN A 1 -10.646 -8.676 -28.425 1.00 0.00 C ATOM 4 O GLN A 1 -9.672 -8.124 -28.896 1.00 0.00 O ATOM 5 CB GLN A 1 -12.148 -8.405 -30.401 1.00 0.00 C ATOM 6 CG GLN A 1 -13.213 -9.086 -31.263 1.00 0.00 C ATOM 7 CD GLN A 1 -13.469 -8.247 -32.516 1.00 0.00 C ATOM 8 OE1 GLN A 1 -13.088 -8.628 -33.605 1.00 0.00 O ATOM 9 NE2 GLN A 1 -14.103 -7.112 -32.409 1.00 0.00 N ATOM 0 H1 GLN A 1 -13.448 -10.431 -29.061 1.00 0.00 H new ATOM 0 H2 GLN A 1 -12.493 -10.332 -27.660 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.374 -8.978 -28.185 1.00 0.00 H new ATOM 0 HA GLN A 1 -11.211 -10.246 -29.784 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.557 -7.504 -29.943 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.307 -8.094 -31.021 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.884 -10.087 -31.543 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.136 -9.202 -30.695 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.423 -6.791 -31.495 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.278 -6.546 -33.239 1.00 0.00 H new ATOM 20 N GLY A 2 -10.856 -8.695 -27.136 1.00 0.00 N ATOM 21 CA GLY A 2 -9.893 -8.032 -26.214 1.00 0.00 C ATOM 22 C GLY A 2 -10.200 -8.437 -24.773 1.00 0.00 C ATOM 23 O GLY A 2 -10.741 -7.669 -24.004 1.00 0.00 O ATOM 0 H GLY A 2 -11.653 -9.141 -26.683 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.873 -8.316 -26.472 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.959 -6.949 -26.320 1.00 0.00 H new ATOM 27 N SER A 3 -9.858 -9.639 -24.399 1.00 0.00 N ATOM 28 CA SER A 3 -10.132 -10.092 -23.007 1.00 0.00 C ATOM 29 C SER A 3 -9.267 -11.312 -22.684 1.00 0.00 C ATOM 30 O SER A 3 -9.681 -12.207 -21.974 1.00 0.00 O ATOM 31 CB SER A 3 -11.608 -10.464 -22.873 1.00 0.00 C ATOM 32 OG SER A 3 -11.896 -11.558 -23.733 1.00 0.00 O ATOM 0 H SER A 3 -9.401 -10.327 -24.997 1.00 0.00 H new ATOM 0 HA SER A 3 -9.895 -9.287 -22.312 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.836 -10.728 -21.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.235 -9.610 -23.129 1.00 0.00 H new ATOM 0 HG SER A 3 -12.842 -11.800 -23.648 1.00 0.00 H new ATOM 38 N ARG A 4 -8.070 -11.353 -23.198 1.00 0.00 N ATOM 39 CA ARG A 4 -7.179 -12.513 -22.915 1.00 0.00 C ATOM 40 C ARG A 4 -6.682 -12.424 -21.471 1.00 0.00 C ATOM 41 O ARG A 4 -6.512 -11.350 -20.929 1.00 0.00 O ATOM 42 CB ARG A 4 -5.982 -12.484 -23.871 1.00 0.00 C ATOM 43 CG ARG A 4 -5.081 -13.694 -23.604 1.00 0.00 C ATOM 44 CD ARG A 4 -3.937 -13.727 -24.621 1.00 0.00 C ATOM 45 NE ARG A 4 -4.468 -13.523 -26.010 1.00 0.00 N ATOM 46 CZ ARG A 4 -5.386 -14.307 -26.518 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.744 -15.396 -25.898 1.00 0.00 N ATOM 48 NH2 ARG A 4 -5.906 -14.023 -27.682 1.00 0.00 N ATOM 0 H ARG A 4 -7.670 -10.634 -23.801 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.731 -13.442 -23.056 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.329 -12.497 -24.904 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.418 -11.561 -23.736 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.678 -13.642 -22.592 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.663 -14.613 -23.669 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.209 -12.951 -24.385 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.415 -14.682 -24.561 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.105 -12.754 -26.573 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.308 -15.644 -25.010 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.460 -16.001 -26.301 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.597 -13.194 -28.190 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.621 -14.630 -28.083 1.00 0.00 H new ATOM 62 N VAL A 5 -6.448 -13.543 -20.842 1.00 0.00 N ATOM 63 CA VAL A 5 -5.963 -13.510 -19.435 1.00 0.00 C ATOM 64 C VAL A 5 -4.562 -12.891 -19.397 1.00 0.00 C ATOM 65 O VAL A 5 -3.569 -13.575 -19.554 1.00 0.00 O ATOM 66 CB VAL A 5 -5.911 -14.935 -18.881 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.553 -14.893 -17.395 1.00 0.00 C ATOM 68 CG2 VAL A 5 -7.280 -15.596 -19.055 1.00 0.00 C ATOM 0 H VAL A 5 -6.571 -14.474 -21.240 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.641 -12.911 -18.827 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.156 -15.508 -19.420 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.516 -15.909 -17.001 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.580 -14.419 -17.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.308 -14.321 -16.855 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.246 -16.612 -18.661 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.033 -15.022 -18.514 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.538 -15.626 -20.114 1.00 0.00 H new ATOM 78 N LEU A 6 -4.483 -11.604 -19.177 1.00 0.00 N ATOM 79 CA LEU A 6 -3.159 -10.906 -19.109 1.00 0.00 C ATOM 80 C LEU A 6 -3.046 -10.245 -17.741 1.00 0.00 C ATOM 81 O LEU A 6 -2.104 -10.459 -17.005 1.00 0.00 O ATOM 82 CB LEU A 6 -3.082 -9.832 -20.202 1.00 0.00 C ATOM 83 CG LEU A 6 -2.965 -10.493 -21.590 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.433 -9.510 -22.667 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.508 -10.885 -21.876 1.00 0.00 C ATOM 0 H LEU A 6 -5.291 -10.996 -19.039 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.348 -11.619 -19.259 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.970 -9.201 -20.165 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.223 -9.184 -20.026 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.587 -11.388 -21.602 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.350 -9.978 -23.648 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.472 -9.236 -22.483 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.811 -8.615 -22.638 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.443 -11.350 -22.860 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.880 -9.994 -21.854 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.165 -11.589 -21.118 1.00 0.00 H new ATOM 97 N HIS A 7 -4.016 -9.439 -17.398 1.00 0.00 N ATOM 98 CA HIS A 7 -4.002 -8.752 -16.082 1.00 0.00 C ATOM 99 C HIS A 7 -5.438 -8.631 -15.571 1.00 0.00 C ATOM 100 O HIS A 7 -6.016 -7.564 -15.571 1.00 0.00 O ATOM 101 CB HIS A 7 -3.396 -7.356 -16.237 1.00 0.00 C ATOM 102 CG HIS A 7 -2.012 -7.474 -16.813 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.938 -7.941 -16.069 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.509 -7.189 -18.058 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.146 -7.923 -16.864 1.00 0.00 C ATOM 106 NE2 HIS A 7 -0.144 -7.474 -18.089 1.00 0.00 N ATOM 0 H HIS A 7 -4.824 -9.228 -17.983 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.403 -9.325 -15.374 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.022 -6.746 -16.888 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.358 -6.854 -15.270 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.966 -8.243 -15.095 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.083 -6.803 -18.887 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.132 -8.234 -16.551 1.00 0.00 H new ATOM 114 N VAL A 8 -6.016 -9.710 -15.120 1.00 0.00 N ATOM 115 CA VAL A 8 -7.406 -9.640 -14.598 1.00 0.00 C ATOM 116 C VAL A 8 -7.349 -8.854 -13.294 1.00 0.00 C ATOM 117 O VAL A 8 -6.295 -8.759 -12.698 1.00 0.00 O ATOM 118 CB VAL A 8 -7.925 -11.057 -14.339 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.443 -11.022 -14.168 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.571 -11.956 -15.525 1.00 0.00 C ATOM 0 H VAL A 8 -5.586 -10.634 -15.091 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.075 -9.157 -15.310 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.464 -11.450 -13.433 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.812 -12.031 -13.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.699 -10.382 -13.324 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.902 -10.628 -15.075 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.941 -12.965 -15.340 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.031 -11.561 -16.431 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.489 -11.984 -15.650 1.00 0.00 H new ATOM 130 N VAL A 9 -8.433 -8.264 -12.831 1.00 0.00 N ATOM 131 CA VAL A 9 -8.327 -7.478 -11.562 1.00 0.00 C ATOM 132 C VAL A 9 -9.605 -7.583 -10.727 1.00 0.00 C ATOM 133 O VAL A 9 -10.704 -7.389 -11.208 1.00 0.00 O ATOM 134 CB VAL A 9 -8.041 -6.000 -11.892 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.917 -5.899 -12.930 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.299 -5.343 -12.466 1.00 0.00 C ATOM 0 H VAL A 9 -9.356 -8.292 -13.264 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.508 -7.893 -10.975 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.741 -5.492 -10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.723 -4.850 -13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.012 -6.358 -12.532 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.216 -6.417 -13.841 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.091 -4.298 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.598 -5.863 -13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.105 -5.399 -11.734 1.00 0.00 H new ATOM 146 N GLN A 10 -9.445 -7.869 -9.462 1.00 0.00 N ATOM 147 CA GLN A 10 -10.611 -7.973 -8.540 1.00 0.00 C ATOM 148 C GLN A 10 -10.737 -6.673 -7.741 1.00 0.00 C ATOM 149 O GLN A 10 -9.786 -6.195 -7.156 1.00 0.00 O ATOM 150 CB GLN A 10 -10.398 -9.141 -7.574 1.00 0.00 C ATOM 151 CG GLN A 10 -10.454 -10.463 -8.342 1.00 0.00 C ATOM 152 CD GLN A 10 -10.168 -11.622 -7.385 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.097 -11.705 -6.816 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.084 -12.528 -7.182 1.00 0.00 N ATOM 0 H GLN A 10 -8.540 -8.037 -9.023 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.519 -8.142 -9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.435 -9.041 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.163 -9.128 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.435 -10.589 -8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.724 -10.457 -9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.983 -12.460 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.901 -13.305 -6.547 1.00 0.00 H new ATOM 163 N THR A 11 -11.906 -6.098 -7.720 1.00 0.00 N ATOM 164 CA THR A 11 -12.114 -4.827 -6.970 1.00 0.00 C ATOM 165 C THR A 11 -11.886 -5.040 -5.489 1.00 0.00 C ATOM 166 O THR A 11 -12.042 -6.120 -4.953 1.00 0.00 O ATOM 167 CB THR A 11 -13.542 -4.357 -7.182 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.810 -4.288 -8.572 1.00 0.00 O ATOM 169 CG2 THR A 11 -13.762 -2.981 -6.536 1.00 0.00 C ATOM 0 H THR A 11 -12.734 -6.457 -8.195 1.00 0.00 H new ATOM 0 HA THR A 11 -11.406 -4.083 -7.335 1.00 0.00 H new ATOM 0 HB THR A 11 -14.222 -5.067 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.242 -3.433 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.792 -2.663 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.568 -3.047 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.083 -2.256 -6.984 1.00 0.00 H new ATOM 177 N LEU A 12 -11.532 -3.985 -4.832 1.00 5.40 N ATOM 178 CA LEU A 12 -11.285 -4.012 -3.363 1.00 9.02 C ATOM 179 C LEU A 12 -12.356 -3.143 -2.707 1.00 10.54 C ATOM 180 O LEU A 12 -12.590 -3.222 -1.518 1.00 10.21 O ATOM 181 CB LEU A 12 -9.892 -3.408 -3.044 1.00 7.97 C ATOM 182 CG LEU A 12 -8.668 -4.260 -3.550 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.383 -3.442 -3.408 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.457 -5.577 -2.786 1.00 6.66 C ATOM 0 H LEU A 12 -11.397 -3.070 -5.261 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.317 -5.037 -2.995 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -9.833 -2.414 -3.488 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -9.806 -3.280 -1.965 1.00 7.97 H new ATOM 0 HG LEU A 12 -8.895 -4.509 -4.587 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.536 -4.032 -3.758 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.463 -2.533 -4.003 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.233 -3.178 -2.361 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.595 -6.102 -3.197 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.282 -5.362 -1.732 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.344 -6.202 -2.887 1.00 6.66 H new ATOM 196 N TYR A 13 -13.010 -2.303 -3.473 1.00 12.19 N ATOM 197 CA TYR A 13 -14.066 -1.422 -2.873 1.00 12.32 C ATOM 198 C TYR A 13 -15.178 -1.111 -3.909 1.00 14.17 C ATOM 199 O TYR A 13 -14.877 -0.953 -5.075 1.00 14.79 O ATOM 200 CB TYR A 13 -13.423 -0.105 -2.428 1.00 14.83 C ATOM 201 CG TYR A 13 -12.109 -0.392 -1.741 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.096 -0.840 -0.414 1.00 18.39 C ATOM 203 CD2 TYR A 13 -10.901 -0.205 -2.427 1.00 10.85 C ATOM 204 CE1 TYR A 13 -10.879 -1.103 0.225 1.00 12.56 C ATOM 205 CE2 TYR A 13 -9.684 -0.467 -1.788 1.00 10.94 C ATOM 206 CZ TYR A 13 -9.672 -0.918 -0.463 1.00 12.35 C ATOM 207 OH TYR A 13 -8.471 -1.175 0.167 1.00 12.20 O ATOM 0 H TYR A 13 -12.862 -2.188 -4.476 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.511 -1.939 -2.023 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.261 0.542 -3.290 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.091 0.427 -1.751 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.026 -0.983 0.117 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -10.910 0.142 -3.450 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -10.870 -1.448 1.248 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -8.754 -0.321 -2.317 1.00 10.94 H new ATOM 0 HH TYR A 13 -7.732 -0.997 -0.452 1.00 12.20 H new ATOM 217 N PRO A 14 -16.434 -1.000 -3.469 1.00 0.00 N ATOM 218 CA PRO A 14 -17.549 -0.671 -4.390 1.00 0.00 C ATOM 219 C PRO A 14 -17.449 0.811 -4.789 1.00 0.00 C ATOM 220 O PRO A 14 -18.109 1.660 -4.224 1.00 0.00 O ATOM 221 CB PRO A 14 -18.826 -0.920 -3.558 1.00 0.00 C ATOM 222 CG PRO A 14 -18.386 -0.975 -2.069 1.00 0.00 C ATOM 223 CD PRO A 14 -16.857 -1.190 -2.055 1.00 0.00 C ATOM 0 HA PRO A 14 -17.539 -1.262 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.553 -0.124 -3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.305 -1.853 -3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.650 -0.051 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.894 -1.786 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.363 -0.477 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.601 -2.187 -1.696 1.00 0.00 H new ATOM 231 N PHE A 15 -16.620 1.130 -5.740 1.00 0.00 N ATOM 232 CA PHE A 15 -16.472 2.560 -6.145 1.00 0.00 C ATOM 233 C PHE A 15 -17.707 3.041 -6.903 1.00 0.00 C ATOM 234 O PHE A 15 -18.570 2.271 -7.271 1.00 0.00 O ATOM 235 CB PHE A 15 -15.257 2.715 -7.053 1.00 0.00 C ATOM 236 CG PHE A 15 -14.941 4.189 -7.277 1.00 0.00 C ATOM 237 CD1 PHE A 15 -14.691 5.046 -6.190 1.00 0.00 C ATOM 238 CD2 PHE A 15 -14.894 4.700 -8.585 1.00 0.00 C ATOM 239 CE1 PHE A 15 -14.398 6.394 -6.413 1.00 0.00 C ATOM 240 CE2 PHE A 15 -14.600 6.052 -8.802 1.00 0.00 C ATOM 241 CZ PHE A 15 -14.352 6.898 -7.717 1.00 0.00 C ATOM 0 H PHE A 15 -16.039 0.468 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.350 3.156 -5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.396 2.217 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.446 2.228 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -14.726 4.662 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.085 4.049 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.206 7.049 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.565 6.441 -9.809 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.125 7.940 -7.886 1.00 0.00 H new ATOM 251 N SER A 16 -17.782 4.325 -7.139 1.00 0.00 N ATOM 252 CA SER A 16 -18.944 4.898 -7.884 1.00 0.00 C ATOM 253 C SER A 16 -18.445 5.939 -8.882 1.00 0.00 C ATOM 254 O SER A 16 -17.973 6.997 -8.521 1.00 0.00 O ATOM 255 CB SER A 16 -19.912 5.555 -6.898 1.00 0.00 C ATOM 256 OG SER A 16 -20.539 4.547 -6.114 1.00 0.00 O ATOM 0 H SER A 16 -17.083 5.007 -6.845 1.00 0.00 H new ATOM 0 HA SER A 16 -19.460 4.101 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.376 6.252 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.663 6.132 -7.437 1.00 0.00 H new ATOM 0 HG SER A 16 -21.159 4.964 -5.480 1.00 0.00 H new ATOM 262 N SER A 17 -18.548 5.626 -10.143 1.00 0.00 N ATOM 263 CA SER A 17 -18.091 6.559 -11.212 1.00 0.00 C ATOM 264 C SER A 17 -19.174 6.619 -12.289 1.00 0.00 C ATOM 265 O SER A 17 -19.411 5.656 -12.990 1.00 0.00 O ATOM 266 CB SER A 17 -16.768 6.027 -11.779 1.00 0.00 C ATOM 267 OG SER A 17 -15.932 7.122 -12.117 1.00 0.00 O ATOM 0 H SER A 17 -18.937 4.747 -10.485 1.00 0.00 H new ATOM 0 HA SER A 17 -17.926 7.565 -10.827 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.274 5.390 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.957 5.413 -12.659 1.00 0.00 H new ATOM 0 HG SER A 17 -15.002 6.819 -12.170 1.00 0.00 H new ATOM 273 N VAL A 18 -19.835 7.744 -12.429 1.00 0.00 N ATOM 274 CA VAL A 18 -20.903 7.867 -13.450 1.00 0.00 C ATOM 275 C VAL A 18 -20.672 9.130 -14.266 1.00 0.00 C ATOM 276 O VAL A 18 -21.108 10.216 -13.940 1.00 0.00 O ATOM 277 CB VAL A 18 -22.266 7.950 -12.744 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.366 8.221 -13.775 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.554 6.623 -12.035 1.00 0.00 C ATOM 0 H VAL A 18 -19.673 8.583 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.887 7.001 -14.111 1.00 0.00 H new ATOM 0 HB VAL A 18 -22.245 8.760 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.331 8.279 -13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.164 9.164 -14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.387 7.413 -14.506 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.520 6.680 -11.534 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.572 5.816 -12.767 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.775 6.427 -11.299 1.00 0.00 H new ATOM 289 N THR A 19 -20.013 8.945 -15.352 1.00 38.32 N ATOM 290 CA THR A 19 -19.727 10.057 -16.305 1.00 37.06 C ATOM 291 C THR A 19 -19.784 9.482 -17.711 1.00 36.60 C ATOM 292 O THR A 19 -20.449 8.499 -17.973 1.00 36.42 O ATOM 293 CB THR A 19 -18.323 10.656 -16.052 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.121 10.799 -14.654 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.206 12.030 -16.722 1.00 37.86 C ATOM 0 H THR A 19 -19.641 8.040 -15.641 1.00 38.32 H new ATOM 0 HA THR A 19 -20.460 10.853 -16.172 1.00 37.06 H new ATOM 0 HB THR A 19 -17.570 9.989 -16.472 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.232 11.177 -14.489 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.214 12.442 -16.537 1.00 37.86 H new ATOM 0 HG22 THR A 19 -18.361 11.926 -17.796 1.00 37.86 H new ATOM 0 HG23 THR A 19 -18.960 12.701 -16.310 1.00 37.86 H new ATOM 303 N GLU A 20 -19.060 10.068 -18.599 1.00 36.33 N ATOM 304 CA GLU A 20 -19.005 9.587 -19.957 1.00 36.39 C ATOM 305 C GLU A 20 -17.986 8.435 -19.982 1.00 30.94 C ATOM 306 O GLU A 20 -18.273 7.349 -20.447 1.00 31.73 O ATOM 307 CB GLU A 20 -18.605 10.799 -20.803 1.00 41.00 C ATOM 308 CG GLU A 20 -18.602 10.407 -22.237 1.00 49.07 C ATOM 309 CD GLU A 20 -20.033 10.198 -22.734 1.00 52.00 C ATOM 310 OE1 GLU A 20 -20.948 10.470 -21.975 1.00 54.38 O ATOM 311 OE2 GLU A 20 -20.190 9.772 -23.867 1.00 55.13 O ATOM 0 H GLU A 20 -18.487 10.892 -18.417 1.00 36.33 H new ATOM 0 HA GLU A 20 -19.940 9.190 -20.351 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -19.303 11.620 -20.638 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -17.618 11.155 -20.508 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -18.113 11.179 -22.831 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -18.027 9.491 -22.369 1.00 49.07 H new ATOM 318 N GLU A 21 -16.788 8.684 -19.518 1.00 0.00 N ATOM 319 CA GLU A 21 -15.725 7.666 -19.534 1.00 0.00 C ATOM 320 C GLU A 21 -15.418 7.174 -18.102 1.00 0.00 C ATOM 321 O GLU A 21 -14.307 6.786 -17.803 1.00 0.00 O ATOM 322 CB GLU A 21 -14.509 8.372 -20.136 1.00 0.00 C ATOM 323 CG GLU A 21 -14.779 8.666 -21.602 1.00 0.00 C ATOM 324 CD GLU A 21 -13.624 9.474 -22.199 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.691 9.766 -21.470 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.691 9.782 -23.376 1.00 0.00 O ATOM 0 H GLU A 21 -16.507 9.580 -19.120 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.012 6.785 -20.108 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.308 9.298 -19.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.623 7.746 -20.035 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.902 7.733 -22.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.712 9.221 -21.704 1.00 0.00 H new ATOM 333 N GLU A 22 -16.385 7.194 -17.214 1.00 0.00 N ATOM 334 CA GLU A 22 -16.133 6.738 -15.802 1.00 0.00 C ATOM 335 C GLU A 22 -16.661 5.299 -15.617 1.00 0.00 C ATOM 336 O GLU A 22 -17.580 4.875 -16.289 1.00 0.00 O ATOM 337 CB GLU A 22 -16.845 7.722 -14.846 1.00 0.00 C ATOM 338 CG GLU A 22 -15.850 8.760 -14.289 1.00 0.00 C ATOM 339 CD GLU A 22 -15.276 9.589 -15.440 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.466 9.195 -16.578 1.00 0.00 O ATOM 341 OE2 GLU A 22 -14.657 10.603 -15.161 1.00 0.00 O ATOM 0 H GLU A 22 -17.338 7.505 -17.403 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.065 6.730 -15.582 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.651 8.231 -15.375 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.301 7.171 -14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.351 9.411 -13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.045 8.256 -13.753 1.00 0.00 H new ATOM 348 N LEU A 23 -16.053 4.539 -14.722 1.00 11.68 N ATOM 349 CA LEU A 23 -16.476 3.107 -14.497 1.00 7.71 C ATOM 350 C LEU A 23 -17.127 2.942 -13.115 1.00 8.71 C ATOM 351 O LEU A 23 -16.459 3.006 -12.102 1.00 10.83 O ATOM 352 CB LEU A 23 -15.214 2.207 -14.549 1.00 7.16 C ATOM 353 CG LEU A 23 -15.548 0.705 -14.766 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.864 0.300 -14.099 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.631 0.386 -16.256 1.00 2.00 C ATOM 0 H LEU A 23 -15.279 4.851 -14.136 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.195 2.827 -15.267 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.564 2.549 -15.354 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.656 2.319 -13.619 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.741 0.137 -14.304 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.053 -0.758 -14.279 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.798 0.479 -13.026 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.680 0.890 -14.516 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.866 -0.670 -16.389 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.412 0.992 -16.715 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.675 0.608 -16.729 1.00 2.00 H new ATOM 367 N ASN A 24 -18.406 2.683 -13.061 1.00 0.00 N ATOM 368 CA ASN A 24 -19.071 2.454 -11.737 1.00 0.00 C ATOM 369 C ASN A 24 -19.101 0.943 -11.526 1.00 0.00 C ATOM 370 O ASN A 24 -19.531 0.211 -12.395 1.00 0.00 O ATOM 371 CB ASN A 24 -20.509 2.998 -11.767 1.00 0.00 C ATOM 372 CG ASN A 24 -21.305 2.447 -10.580 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.476 2.148 -10.704 1.00 0.00 O ATOM 374 ND2 ASN A 24 -20.714 2.298 -9.426 1.00 0.00 N ATOM 0 H ASN A 24 -19.021 2.619 -13.872 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.535 2.961 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.495 4.087 -11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -20.993 2.716 -12.702 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.235 1.931 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.731 2.549 -9.320 1.00 0.00 H new ATOM 381 N PHE A 25 -18.628 0.441 -10.411 1.00 6.72 N ATOM 382 CA PHE A 25 -18.634 -1.035 -10.242 1.00 6.82 C ATOM 383 C PHE A 25 -18.706 -1.411 -8.773 1.00 7.56 C ATOM 384 O PHE A 25 -18.111 -0.783 -7.920 1.00 6.07 O ATOM 385 CB PHE A 25 -17.382 -1.640 -10.895 1.00 9.59 C ATOM 386 CG PHE A 25 -16.086 -1.039 -10.345 1.00 9.18 C ATOM 387 CD1 PHE A 25 -15.807 0.340 -10.452 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.129 -1.880 -9.766 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.596 0.852 -9.974 1.00 5.32 C ATOM 390 CE2 PHE A 25 -13.918 -1.364 -9.296 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.652 0.001 -9.398 1.00 12.44 C ATOM 0 H PHE A 25 -18.248 0.978 -9.632 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.519 -1.439 -10.734 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.376 -2.718 -10.733 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.425 -1.480 -11.972 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.530 1.002 -10.904 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.328 -2.938 -9.681 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.391 1.910 -10.051 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.187 -2.024 -8.853 1.00 11.14 H new ATOM 0 HZ PHE A 25 -12.717 0.399 -9.032 1.00 12.44 H new ATOM 401 N GLU A 26 -19.436 -2.451 -8.481 1.00 0.00 N ATOM 402 CA GLU A 26 -19.569 -2.905 -7.074 1.00 0.00 C ATOM 403 C GLU A 26 -18.377 -3.793 -6.749 1.00 0.00 C ATOM 404 O GLU A 26 -17.765 -4.370 -7.625 1.00 0.00 O ATOM 405 CB GLU A 26 -20.885 -3.678 -6.895 1.00 0.00 C ATOM 406 CG GLU A 26 -20.792 -5.071 -7.532 1.00 0.00 C ATOM 407 CD GLU A 26 -20.255 -4.954 -8.960 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.745 -4.105 -9.687 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.364 -5.712 -9.302 1.00 0.00 O ATOM 0 H GLU A 26 -19.949 -3.008 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.587 -2.050 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.114 -3.774 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.704 -3.120 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.137 -5.709 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.774 -5.543 -7.541 1.00 0.00 H new ATOM 416 N LYS A 27 -18.033 -3.902 -5.508 1.00 8.66 N ATOM 417 CA LYS A 27 -16.877 -4.742 -5.145 1.00 8.68 C ATOM 418 C LYS A 27 -17.083 -6.155 -5.691 1.00 6.65 C ATOM 419 O LYS A 27 -18.193 -6.640 -5.789 1.00 10.38 O ATOM 420 CB LYS A 27 -16.746 -4.745 -3.625 1.00 12.96 C ATOM 421 CG LYS A 27 -17.853 -5.608 -2.975 1.00 12.48 C ATOM 422 CD LYS A 27 -17.315 -7.015 -2.645 1.00 20.52 C ATOM 423 CE LYS A 27 -16.585 -6.993 -1.298 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.584 -6.951 -0.192 1.00 29.03 N ATOM 0 H LYS A 27 -18.504 -3.444 -4.727 1.00 8.66 H new ATOM 0 HA LYS A 27 -15.958 -4.349 -5.579 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -15.766 -5.130 -3.342 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -16.808 -3.724 -3.249 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.211 -5.126 -2.065 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.705 -5.687 -3.650 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.138 -7.729 -2.611 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.636 -7.348 -3.431 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -15.954 -7.877 -1.200 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -15.928 -6.125 -1.242 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.125 -7.223 0.701 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -17.966 -5.988 -0.106 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.359 -7.613 -0.399 1.00 29.03 H new ATOM 438 N GLY A 28 -16.019 -6.813 -6.067 1.00 5.06 N ATOM 439 CA GLY A 28 -16.148 -8.186 -6.629 1.00 4.39 C ATOM 440 C GLY A 28 -16.451 -8.094 -8.126 1.00 6.18 C ATOM 441 O GLY A 28 -17.308 -8.791 -8.634 1.00 5.61 O ATOM 0 H GLY A 28 -15.065 -6.457 -6.008 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.227 -8.746 -6.467 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.944 -8.727 -6.118 1.00 4.39 H new ATOM 445 N GLU A 29 -15.759 -7.234 -8.834 1.00 7.06 N ATOM 446 CA GLU A 29 -15.999 -7.074 -10.308 1.00 6.19 C ATOM 447 C GLU A 29 -14.716 -7.411 -11.072 1.00 6.67 C ATOM 448 O GLU A 29 -13.726 -6.713 -10.978 1.00 8.12 O ATOM 449 CB GLU A 29 -16.376 -5.608 -10.597 1.00 6.64 C ATOM 450 CG GLU A 29 -17.038 -5.409 -11.998 1.00 9.52 C ATOM 451 CD GLU A 29 -16.846 -6.628 -12.913 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.633 -7.554 -12.807 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.922 -6.608 -13.703 1.00 8.99 O ATOM 0 H GLU A 29 -15.031 -6.630 -8.452 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.802 -7.740 -10.622 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.061 -5.257 -9.825 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.480 -4.990 -10.534 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.103 -5.218 -11.870 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.612 -4.528 -12.477 1.00 9.52 H new ATOM 460 N THR A 30 -14.732 -8.452 -11.848 1.00 0.00 N ATOM 461 CA THR A 30 -13.523 -8.805 -12.643 1.00 0.00 C ATOM 462 C THR A 30 -13.408 -7.793 -13.767 1.00 0.00 C ATOM 463 O THR A 30 -14.194 -7.824 -14.692 1.00 0.00 O ATOM 464 CB THR A 30 -13.733 -10.182 -13.276 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.305 -11.062 -12.320 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.394 -10.735 -13.753 1.00 0.00 C ATOM 0 H THR A 30 -15.529 -9.077 -11.969 1.00 0.00 H new ATOM 0 HA THR A 30 -12.635 -8.809 -12.011 1.00 0.00 H new ATOM 0 HB THR A 30 -14.407 -10.091 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.441 -11.943 -12.727 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.545 -11.716 -14.204 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.963 -10.059 -14.492 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.715 -10.826 -12.905 1.00 0.00 H new ATOM 474 N MET A 31 -12.455 -6.902 -13.722 1.00 0.00 N ATOM 475 CA MET A 31 -12.346 -5.910 -14.827 1.00 0.00 C ATOM 476 C MET A 31 -11.179 -6.248 -15.731 1.00 0.00 C ATOM 477 O MET A 31 -10.085 -6.566 -15.313 1.00 0.00 O ATOM 478 CB MET A 31 -12.248 -4.487 -14.260 1.00 0.00 C ATOM 479 CG MET A 31 -13.636 -4.064 -13.697 1.00 0.00 C ATOM 480 SD MET A 31 -13.474 -3.574 -11.959 1.00 0.00 S ATOM 481 CE MET A 31 -12.801 -1.922 -12.262 1.00 0.00 C ATOM 0 H MET A 31 -11.759 -6.819 -12.981 1.00 0.00 H new ATOM 0 HA MET A 31 -13.248 -5.955 -15.437 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.495 -4.447 -13.473 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.931 -3.793 -15.039 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.038 -3.236 -14.281 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.342 -4.890 -13.787 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.251 -1.587 -11.383 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.130 -1.954 -13.120 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.617 -1.228 -12.466 1.00 0.00 H new ATOM 491 N GLU A 32 -11.465 -6.198 -16.989 1.00 0.00 N ATOM 492 CA GLU A 32 -10.484 -6.518 -18.042 1.00 0.00 C ATOM 493 C GLU A 32 -9.777 -5.217 -18.421 1.00 0.00 C ATOM 494 O GLU A 32 -10.329 -4.365 -19.087 1.00 0.00 O ATOM 495 CB GLU A 32 -11.265 -7.126 -19.240 1.00 0.00 C ATOM 496 CG GLU A 32 -12.792 -6.936 -19.029 1.00 0.00 C ATOM 497 CD GLU A 32 -13.525 -7.290 -20.324 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.874 -7.349 -21.352 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.726 -7.501 -20.263 1.00 0.00 O ATOM 0 H GLU A 32 -12.384 -5.935 -17.346 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.733 -7.239 -17.718 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.955 -6.646 -20.168 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.032 -8.186 -19.336 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.141 -7.571 -18.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.007 -5.906 -18.745 1.00 0.00 H new ATOM 506 N VAL A 33 -8.576 -5.043 -17.952 1.00 0.00 N ATOM 507 CA VAL A 33 -7.844 -3.777 -18.229 1.00 0.00 C ATOM 508 C VAL A 33 -7.587 -3.593 -19.731 1.00 0.00 C ATOM 509 O VAL A 33 -6.585 -4.041 -20.253 1.00 0.00 O ATOM 510 CB VAL A 33 -6.507 -3.792 -17.482 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.990 -2.357 -17.324 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.705 -4.410 -16.095 1.00 0.00 C ATOM 0 H VAL A 33 -8.068 -5.724 -17.387 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.460 -2.945 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.785 -4.381 -18.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.039 -2.370 -16.792 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.850 -1.910 -18.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.714 -1.770 -16.759 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.754 -4.421 -15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.428 -3.819 -15.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.074 -5.430 -16.201 1.00 0.00 H new ATOM 522 N ILE A 34 -8.469 -2.921 -20.431 1.00 0.00 N ATOM 523 CA ILE A 34 -8.233 -2.703 -21.896 1.00 0.00 C ATOM 524 C ILE A 34 -6.916 -1.935 -22.116 1.00 0.00 C ATOM 525 O ILE A 34 -6.099 -2.314 -22.930 1.00 0.00 O ATOM 526 CB ILE A 34 -9.370 -1.873 -22.525 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.673 -2.686 -22.540 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.981 -1.498 -23.971 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.843 -1.816 -23.037 1.00 0.00 C ATOM 0 H ILE A 34 -9.330 -2.519 -20.060 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.189 -3.686 -22.366 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.525 -0.970 -21.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.559 -3.556 -23.186 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.888 -3.059 -21.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.781 -0.911 -24.422 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.062 -0.912 -23.960 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.825 -2.406 -24.553 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.759 -2.407 -23.042 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.967 -0.960 -22.374 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.632 -1.465 -24.047 1.00 0.00 H new ATOM 541 N GLU A 35 -6.726 -0.831 -21.431 1.00 0.00 N ATOM 542 CA GLU A 35 -5.485 -0.021 -21.643 1.00 0.00 C ATOM 543 C GLU A 35 -5.055 0.650 -20.356 1.00 0.00 C ATOM 544 O GLU A 35 -5.828 0.829 -19.436 1.00 0.00 O ATOM 545 CB GLU A 35 -5.759 1.053 -22.711 1.00 0.00 C ATOM 546 CG GLU A 35 -4.443 1.504 -23.353 1.00 0.00 C ATOM 547 CD GLU A 35 -3.961 0.437 -24.342 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.754 0.031 -25.174 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.810 0.046 -24.246 1.00 0.00 O ATOM 0 H GLU A 35 -7.374 -0.458 -20.737 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.685 -0.685 -21.973 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.428 0.656 -23.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.263 1.907 -22.258 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.585 2.454 -23.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.689 1.668 -22.583 1.00 0.00 H new ATOM 556 N LYS A 36 -3.793 0.996 -20.280 1.00 0.00 N ATOM 557 CA LYS A 36 -3.249 1.629 -19.050 1.00 0.00 C ATOM 558 C LYS A 36 -2.357 2.836 -19.405 1.00 0.00 C ATOM 559 O LYS A 36 -1.175 2.818 -19.129 1.00 0.00 O ATOM 560 CB LYS A 36 -2.403 0.565 -18.319 1.00 0.00 C ATOM 561 CG LYS A 36 -3.069 -0.829 -18.426 1.00 0.00 C ATOM 562 CD LYS A 36 -2.537 -1.603 -19.647 1.00 0.00 C ATOM 563 CE LYS A 36 -3.472 -2.782 -19.968 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.862 -2.299 -20.194 1.00 0.00 N ATOM 0 H LYS A 36 -3.113 0.863 -21.029 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.066 1.986 -18.423 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.402 0.530 -18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.290 0.840 -17.270 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.876 -1.399 -17.517 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.150 -0.714 -18.506 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.467 -0.938 -20.508 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.531 -1.970 -19.446 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.114 -3.306 -20.854 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.459 -3.498 -19.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.537 -2.995 -19.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.996 -1.388 -19.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.025 -2.176 -21.214 1.00 0.00 H new ATOM 578 N PRO A 37 -2.945 3.871 -19.968 1.00 0.00 N ATOM 579 CA PRO A 37 -2.202 5.091 -20.306 1.00 0.00 C ATOM 580 C PRO A 37 -1.919 5.868 -19.027 1.00 0.00 C ATOM 581 O PRO A 37 -2.510 5.632 -17.993 1.00 0.00 O ATOM 582 CB PRO A 37 -3.135 5.897 -21.221 1.00 0.00 C ATOM 583 CG PRO A 37 -4.538 5.265 -21.084 1.00 0.00 C ATOM 584 CD PRO A 37 -4.374 3.916 -20.339 1.00 0.00 C ATOM 0 HA PRO A 37 -1.249 4.882 -20.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.152 6.947 -20.929 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.792 5.859 -22.255 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.204 5.928 -20.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.985 5.108 -22.066 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.015 3.868 -19.458 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.645 3.075 -20.977 1.00 0.00 H new ATOM 592 N GLU A 38 -1.033 6.804 -19.105 1.00 0.00 N ATOM 593 CA GLU A 38 -0.713 7.629 -17.901 1.00 0.00 C ATOM 594 C GLU A 38 -1.607 8.868 -17.919 1.00 0.00 C ATOM 595 O GLU A 38 -2.214 9.211 -16.929 1.00 0.00 O ATOM 596 CB GLU A 38 0.761 8.054 -17.953 1.00 0.00 C ATOM 597 CG GLU A 38 1.184 8.675 -16.613 1.00 0.00 C ATOM 598 CD GLU A 38 0.696 10.125 -16.522 1.00 0.00 C ATOM 599 OE1 GLU A 38 0.265 10.656 -17.532 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.767 10.679 -15.438 1.00 0.00 O ATOM 0 H GLU A 38 -0.510 7.042 -19.947 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.885 7.056 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.388 7.191 -18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.911 8.773 -18.758 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.772 8.093 -15.788 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.269 8.642 -16.516 1.00 0.00 H new ATOM 607 N ASN A 39 -1.701 9.510 -19.062 1.00 0.00 N ATOM 608 CA ASN A 39 -2.555 10.726 -19.228 1.00 0.00 C ATOM 609 C ASN A 39 -2.130 11.805 -18.232 1.00 0.00 C ATOM 610 O ASN A 39 -1.718 12.884 -18.605 1.00 0.00 O ATOM 611 CB ASN A 39 -4.031 10.357 -19.009 1.00 0.00 C ATOM 612 CG ASN A 39 -4.594 9.700 -20.272 1.00 0.00 C ATOM 613 OD1 ASN A 39 -3.899 9.553 -21.257 1.00 0.00 O ATOM 614 ND2 ASN A 39 -5.834 9.293 -20.283 1.00 0.00 N ATOM 0 H ASN A 39 -1.206 9.231 -19.909 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.431 11.114 -20.239 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.124 9.677 -18.162 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.606 11.250 -18.765 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.219 8.852 -21.118 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.418 9.416 -19.456 1.00 0.00 H new ATOM 621 N ASP A 40 -2.197 11.490 -16.974 1.00 0.00 N ATOM 622 CA ASP A 40 -1.786 12.448 -15.904 1.00 0.00 C ATOM 623 C ASP A 40 -2.270 12.015 -14.496 1.00 0.00 C ATOM 624 O ASP A 40 -1.498 12.035 -13.558 1.00 0.00 O ATOM 625 CB ASP A 40 -2.220 13.916 -16.224 1.00 0.00 C ATOM 626 CG ASP A 40 -1.009 14.749 -16.672 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.139 14.190 -17.321 1.00 0.00 O ATOM 628 OD2 ASP A 40 -0.977 15.928 -16.360 1.00 0.00 O ATOM 0 H ASP A 40 -2.527 10.588 -16.629 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.696 12.425 -15.888 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.978 13.915 -17.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.674 14.368 -15.342 1.00 0.00 H new ATOM 633 N PRO A 41 -3.511 11.653 -14.384 1.00 0.00 N ATOM 634 CA PRO A 41 -4.102 11.230 -13.102 1.00 0.00 C ATOM 635 C PRO A 41 -3.503 9.887 -12.667 1.00 0.00 C ATOM 636 O PRO A 41 -2.912 9.797 -11.614 1.00 0.00 O ATOM 637 CB PRO A 41 -5.615 11.098 -13.399 1.00 0.00 C ATOM 638 CG PRO A 41 -5.809 11.354 -14.924 1.00 0.00 C ATOM 639 CD PRO A 41 -4.414 11.637 -15.517 1.00 0.00 C ATOM 0 HA PRO A 41 -3.908 11.932 -12.291 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.976 10.106 -13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.186 11.817 -12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.264 10.488 -15.405 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.477 12.199 -15.091 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.129 10.869 -16.236 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.398 12.590 -16.046 1.00 0.00 H new ATOM 647 N GLU A 42 -3.677 8.867 -13.498 1.00 0.00 N ATOM 648 CA GLU A 42 -3.160 7.467 -13.234 1.00 0.00 C ATOM 649 C GLU A 42 -4.300 6.461 -13.494 1.00 0.00 C ATOM 650 O GLU A 42 -4.189 5.287 -13.201 1.00 0.00 O ATOM 651 CB GLU A 42 -2.639 7.295 -11.789 1.00 0.00 C ATOM 652 CG GLU A 42 -3.807 7.342 -10.783 1.00 0.00 C ATOM 653 CD GLU A 42 -3.267 7.282 -9.348 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.246 7.899 -9.094 1.00 0.00 O ATOM 655 OE2 GLU A 42 -3.885 6.618 -8.533 1.00 0.00 O ATOM 0 H GLU A 42 -4.177 8.954 -14.383 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.319 7.286 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.111 6.346 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.922 8.083 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.384 8.256 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.484 6.507 -10.961 1.00 0.00 H new ATOM 662 N TRP A 43 -5.398 6.909 -14.050 1.00 14.29 N ATOM 663 CA TRP A 43 -6.539 5.982 -14.325 1.00 10.30 C ATOM 664 C TRP A 43 -6.198 5.039 -15.487 1.00 6.82 C ATOM 665 O TRP A 43 -5.248 5.250 -16.209 1.00 6.91 O ATOM 666 CB TRP A 43 -7.781 6.796 -14.674 1.00 13.39 C ATOM 667 CG TRP A 43 -7.996 7.875 -13.662 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.420 7.931 -12.441 1.00 13.93 C ATOM 669 CD2 TRP A 43 -8.851 9.051 -13.762 1.00 7.44 C ATOM 670 NE1 TRP A 43 -7.864 9.059 -11.788 1.00 6.63 N ATOM 671 CE2 TRP A 43 -8.745 9.783 -12.559 1.00 8.43 C ATOM 672 CE3 TRP A 43 -9.697 9.548 -14.769 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.450 10.963 -12.358 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.411 10.742 -14.568 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.287 11.449 -13.364 1.00 8.17 C ATOM 0 H TRP A 43 -5.554 7.879 -14.326 1.00 14.29 H new ATOM 0 HA TRP A 43 -6.729 5.383 -13.434 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -7.670 7.235 -15.665 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -8.653 6.143 -14.711 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -6.724 7.208 -12.042 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -7.575 9.326 -10.847 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -9.799 9.011 -15.700 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.351 11.502 -11.427 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.059 11.117 -15.346 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -10.837 12.366 -13.215 1.00 8.17 H new ATOM 686 N TRP A 44 -6.976 3.993 -15.655 1.00 6.17 N ATOM 687 CA TRP A 44 -6.725 2.994 -16.748 1.00 5.58 C ATOM 688 C TRP A 44 -8.023 2.765 -17.533 1.00 6.91 C ATOM 689 O TRP A 44 -9.093 2.712 -16.960 1.00 8.86 O ATOM 690 CB TRP A 44 -6.355 1.633 -16.112 1.00 2.99 C ATOM 691 CG TRP A 44 -4.909 1.515 -15.694 1.00 7.04 C ATOM 692 CD1 TRP A 44 -3.911 2.418 -15.891 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.293 0.385 -15.002 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.738 1.908 -15.358 1.00 4.61 N ATOM 695 CE2 TRP A 44 -2.923 0.663 -14.804 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.792 -0.843 -14.529 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.074 -0.242 -14.164 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -3.945 -1.757 -13.882 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.588 -1.458 -13.702 1.00 11.72 C ATOM 0 H TRP A 44 -7.787 3.786 -15.072 1.00 6.17 H new ATOM 0 HA TRP A 44 -5.929 3.368 -17.393 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -6.988 1.469 -15.240 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.581 0.839 -16.824 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.016 3.374 -16.382 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -1.843 2.398 -15.375 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.836 -1.084 -14.665 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.029 -0.005 -14.027 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.341 -2.695 -13.521 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -1.940 -2.166 -13.207 1.00 11.72 H new ATOM 710 N LYS A 45 -7.941 2.545 -18.822 1.00 0.00 N ATOM 711 CA LYS A 45 -9.185 2.232 -19.569 1.00 0.00 C ATOM 712 C LYS A 45 -9.465 0.772 -19.287 1.00 0.00 C ATOM 713 O LYS A 45 -8.885 -0.097 -19.903 1.00 0.00 O ATOM 714 CB LYS A 45 -9.012 2.400 -21.084 1.00 0.00 C ATOM 715 CG LYS A 45 -10.386 2.194 -21.785 1.00 0.00 C ATOM 716 CD LYS A 45 -10.244 2.398 -23.310 1.00 0.00 C ATOM 717 CE LYS A 45 -11.603 2.217 -23.997 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.452 2.437 -25.463 1.00 0.00 N ATOM 0 H LYS A 45 -7.084 2.569 -19.374 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.984 2.905 -19.258 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.621 3.392 -21.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.287 1.679 -21.461 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.761 1.192 -21.578 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.116 2.897 -21.383 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.854 3.395 -23.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.526 1.685 -23.714 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.988 1.215 -23.807 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.327 2.920 -23.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.374 2.314 -25.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.103 3.401 -25.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.774 1.749 -25.849 1.00 0.00 H new ATOM 732 N CYS A 46 -10.308 0.484 -18.339 1.00 0.00 N ATOM 733 CA CYS A 46 -10.580 -0.940 -18.000 1.00 0.00 C ATOM 734 C CYS A 46 -12.021 -1.283 -18.289 1.00 0.00 C ATOM 735 O CYS A 46 -12.941 -0.625 -17.843 1.00 0.00 O ATOM 736 CB CYS A 46 -10.289 -1.174 -16.515 1.00 0.00 C ATOM 737 SG CYS A 46 -11.598 -0.423 -15.513 1.00 0.00 S ATOM 0 H CYS A 46 -10.820 1.170 -17.784 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.937 -1.576 -18.608 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.228 -2.243 -16.310 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.323 -0.743 -16.251 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.608 -0.122 -16.274 1.00 0.00 H new ATOM 743 N LYS A 47 -12.226 -2.338 -19.012 1.00 0.00 N ATOM 744 CA LYS A 47 -13.604 -2.763 -19.306 1.00 0.00 C ATOM 745 C LYS A 47 -14.075 -3.556 -18.106 1.00 0.00 C ATOM 746 O LYS A 47 -13.266 -4.182 -17.452 1.00 0.00 O ATOM 747 CB LYS A 47 -13.609 -3.662 -20.546 1.00 0.00 C ATOM 748 CG LYS A 47 -14.952 -4.391 -20.671 1.00 0.00 C ATOM 749 CD LYS A 47 -15.091 -4.975 -22.078 1.00 0.00 C ATOM 750 CE LYS A 47 -16.465 -5.630 -22.225 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.711 -5.962 -23.655 1.00 0.00 N ATOM 0 H LYS A 47 -11.493 -2.924 -19.412 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.251 -1.907 -19.497 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.429 -3.063 -21.438 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.798 -4.388 -20.480 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.016 -5.186 -19.928 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.772 -3.701 -20.470 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.970 -4.189 -22.823 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.305 -5.709 -22.258 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.515 -6.534 -21.618 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.241 -4.957 -21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.646 -6.407 -23.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.681 -5.092 -24.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.978 -6.619 -23.990 1.00 0.00 H new ATOM 765 N ASN A 48 -15.350 -3.576 -17.786 1.00 0.00 N ATOM 766 CA ASN A 48 -15.753 -4.424 -16.605 1.00 0.00 C ATOM 767 C ASN A 48 -16.234 -5.766 -17.155 1.00 0.00 C ATOM 768 O ASN A 48 -17.022 -5.795 -18.071 1.00 0.00 O ATOM 769 CB ASN A 48 -16.798 -3.718 -15.698 1.00 0.00 C ATOM 770 CG ASN A 48 -18.232 -3.674 -16.255 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.975 -2.782 -15.908 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.688 -4.602 -17.039 1.00 0.00 N ATOM 0 H ASN A 48 -16.099 -3.071 -18.261 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.902 -4.587 -15.944 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.817 -4.223 -14.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.465 -2.696 -15.516 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.658 -4.573 -17.353 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.076 -5.360 -17.341 1.00 0.00 H new ATOM 779 N ALA A 49 -15.740 -6.900 -16.676 1.00 0.00 N ATOM 780 CA ALA A 49 -16.219 -8.174 -17.279 1.00 0.00 C ATOM 781 C ALA A 49 -17.743 -8.154 -17.268 1.00 0.00 C ATOM 782 O ALA A 49 -18.393 -8.867 -18.009 1.00 0.00 O ATOM 783 CB ALA A 49 -15.711 -9.371 -16.477 1.00 0.00 C ATOM 0 H ALA A 49 -15.055 -6.985 -15.925 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.843 -8.267 -18.298 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -16.071 -10.293 -16.933 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.621 -9.370 -16.473 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.078 -9.305 -15.453 1.00 0.00 H new ATOM 789 N ARG A 50 -18.320 -7.302 -16.459 1.00 0.00 N ATOM 790 CA ARG A 50 -19.799 -7.200 -16.438 1.00 0.00 C ATOM 791 C ARG A 50 -20.214 -6.686 -17.814 1.00 0.00 C ATOM 792 O ARG A 50 -21.376 -6.615 -18.159 1.00 0.00 O ATOM 793 CB ARG A 50 -20.252 -6.252 -15.298 1.00 0.00 C ATOM 794 CG ARG A 50 -20.691 -7.076 -14.064 1.00 0.00 C ATOM 795 CD ARG A 50 -20.689 -6.213 -12.769 1.00 0.00 C ATOM 796 NE ARG A 50 -22.025 -6.287 -12.077 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.146 -6.035 -12.703 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.135 -5.628 -13.941 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.283 -6.167 -12.075 1.00 0.00 N ATOM 0 H ARG A 50 -17.829 -6.679 -15.818 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.273 -8.162 -16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.436 -5.582 -15.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -21.077 -5.627 -15.640 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.690 -7.479 -14.232 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -20.021 -7.926 -13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.906 -6.561 -12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.459 -5.177 -13.017 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.057 -6.541 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.248 -5.504 -14.429 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.013 -5.434 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.295 -6.466 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.159 -5.971 -12.560 1.00 0.00 H new ATOM 813 N GLY A 51 -19.228 -6.378 -18.615 1.00 8.07 N ATOM 814 CA GLY A 51 -19.462 -5.915 -20.003 1.00 7.79 C ATOM 815 C GLY A 51 -19.521 -4.384 -20.104 1.00 9.08 C ATOM 816 O GLY A 51 -20.250 -3.859 -20.923 1.00 14.41 O ATOM 0 H GLY A 51 -18.244 -6.432 -18.351 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.667 -6.289 -20.647 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.397 -6.338 -20.372 1.00 7.79 H new ATOM 820 N GLN A 52 -18.764 -3.643 -19.308 1.00 0.00 N ATOM 821 CA GLN A 52 -18.816 -2.134 -19.431 1.00 0.00 C ATOM 822 C GLN A 52 -17.427 -1.510 -19.347 1.00 0.00 C ATOM 823 O GLN A 52 -16.489 -2.140 -18.962 1.00 0.00 O ATOM 824 CB GLN A 52 -19.814 -1.544 -18.392 1.00 0.00 C ATOM 825 CG GLN A 52 -19.149 -0.509 -17.467 1.00 0.00 C ATOM 826 CD GLN A 52 -20.123 -0.096 -16.381 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.577 -0.907 -15.600 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.464 1.156 -16.302 1.00 0.00 N ATOM 0 H GLN A 52 -18.129 -4.005 -18.597 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.191 -1.878 -20.422 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.648 -1.077 -18.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.229 -2.353 -17.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.249 -0.931 -17.020 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.840 0.363 -18.043 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.079 1.832 -16.961 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.117 1.462 -15.581 1.00 0.00 H new ATOM 837 N VAL A 53 -17.291 -0.262 -19.755 1.00 0.00 N ATOM 838 CA VAL A 53 -15.939 0.387 -19.740 1.00 0.00 C ATOM 839 C VAL A 53 -15.967 1.784 -19.120 1.00 0.00 C ATOM 840 O VAL A 53 -16.969 2.471 -19.111 1.00 0.00 O ATOM 841 CB VAL A 53 -15.417 0.502 -21.182 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.904 0.729 -21.173 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.742 -0.775 -21.966 1.00 0.00 C ATOM 0 H VAL A 53 -18.052 0.327 -20.094 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.286 -0.238 -19.130 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.905 1.349 -21.664 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.542 0.809 -22.198 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.677 1.649 -20.635 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.413 -0.110 -20.680 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.367 -0.681 -22.985 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.268 -1.629 -21.482 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.822 -0.923 -21.988 1.00 0.00 H new ATOM 853 N GLY A 54 -14.834 2.189 -18.604 1.00 3.62 N ATOM 854 CA GLY A 54 -14.704 3.533 -17.968 1.00 3.70 C ATOM 855 C GLY A 54 -13.331 3.641 -17.290 1.00 4.69 C ATOM 856 O GLY A 54 -12.724 2.649 -16.935 1.00 7.25 O ATOM 0 H GLY A 54 -13.979 1.633 -18.597 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.815 4.316 -18.718 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.497 3.680 -17.235 1.00 3.70 H new ATOM 860 N LEU A 55 -12.849 4.837 -17.093 1.00 0.00 N ATOM 861 CA LEU A 55 -11.523 5.016 -16.423 1.00 0.00 C ATOM 862 C LEU A 55 -11.680 4.692 -14.933 1.00 0.00 C ATOM 863 O LEU A 55 -12.743 4.853 -14.366 1.00 0.00 O ATOM 864 CB LEU A 55 -11.077 6.478 -16.611 1.00 0.00 C ATOM 865 CG LEU A 55 -10.272 6.634 -17.916 1.00 0.00 C ATOM 866 CD1 LEU A 55 -8.938 5.847 -17.845 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.125 6.135 -19.090 1.00 0.00 C ATOM 0 H LEU A 55 -13.315 5.702 -17.367 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.773 4.353 -16.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.950 7.130 -16.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.469 6.791 -15.762 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.027 7.686 -18.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.390 5.974 -18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.337 6.224 -17.017 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.148 4.789 -17.689 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.564 6.241 -20.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.377 5.086 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.041 6.723 -19.150 1.00 0.00 H new ATOM 879 N VAL A 56 -10.637 4.223 -14.287 1.00 0.00 N ATOM 880 CA VAL A 56 -10.754 3.880 -12.835 1.00 0.00 C ATOM 881 C VAL A 56 -9.351 3.940 -12.181 1.00 0.00 C ATOM 882 O VAL A 56 -8.408 3.443 -12.764 1.00 0.00 O ATOM 883 CB VAL A 56 -11.323 2.448 -12.725 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.236 1.407 -13.021 1.00 0.00 C ATOM 885 CG2 VAL A 56 -11.875 2.204 -11.322 1.00 0.00 C ATOM 0 H VAL A 56 -9.718 4.064 -14.700 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.412 4.584 -12.325 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.124 2.349 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.659 0.406 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.854 1.557 -14.031 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.422 1.518 -12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.273 1.191 -11.259 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.076 2.327 -10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.670 2.920 -11.114 1.00 0.00 H new ATOM 895 N PRO A 57 -9.221 4.519 -10.992 1.00 3.33 N ATOM 896 CA PRO A 57 -7.905 4.570 -10.330 1.00 2.75 C ATOM 897 C PRO A 57 -7.302 3.159 -10.308 1.00 4.32 C ATOM 898 O PRO A 57 -7.816 2.260 -9.672 1.00 4.76 O ATOM 899 CB PRO A 57 -8.188 5.109 -8.909 1.00 2.92 C ATOM 900 CG PRO A 57 -9.683 5.541 -8.868 1.00 3.30 C ATOM 901 CD PRO A 57 -10.319 5.147 -10.222 1.00 2.53 C ATOM 0 HA PRO A 57 -7.185 5.209 -10.841 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -7.989 4.342 -8.160 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -7.537 5.953 -8.681 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.201 5.050 -8.044 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -9.767 6.615 -8.703 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.149 4.455 -10.082 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -10.716 6.020 -10.741 1.00 2.53 H new ATOM 909 N LYS A 58 -6.230 2.962 -11.022 1.00 0.00 N ATOM 910 CA LYS A 58 -5.594 1.616 -11.079 1.00 0.00 C ATOM 911 C LYS A 58 -5.154 1.166 -9.681 1.00 0.00 C ATOM 912 O LYS A 58 -4.568 0.113 -9.521 1.00 0.00 O ATOM 913 CB LYS A 58 -4.383 1.690 -12.017 1.00 0.00 C ATOM 914 CG LYS A 58 -3.210 2.464 -11.350 1.00 0.00 C ATOM 915 CD LYS A 58 -2.017 2.585 -12.318 1.00 0.00 C ATOM 916 CE LYS A 58 -0.866 3.339 -11.643 1.00 0.00 C ATOM 917 NZ LYS A 58 0.278 3.451 -12.589 1.00 0.00 N ATOM 0 H LYS A 58 -5.763 3.682 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.313 0.888 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.058 0.683 -12.277 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.668 2.183 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.546 3.457 -11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.897 1.948 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.683 1.593 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.324 3.109 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.197 4.331 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.554 2.815 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.059 3.963 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.599 2.500 -12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.024 3.969 -13.439 1.00 0.00 H new ATOM 931 N ASN A 59 -5.437 1.946 -8.670 1.00 10.56 N ATOM 932 CA ASN A 59 -5.041 1.562 -7.273 1.00 9.74 C ATOM 933 C ASN A 59 -6.268 1.020 -6.528 1.00 9.95 C ATOM 934 O ASN A 59 -6.168 0.525 -5.425 1.00 8.95 O ATOM 935 CB ASN A 59 -4.492 2.801 -6.548 1.00 10.40 C ATOM 936 CG ASN A 59 -3.132 3.185 -7.138 1.00 12.58 C ATOM 937 OD1 ASN A 59 -2.521 2.403 -7.839 1.00 14.84 O ATOM 938 ND2 ASN A 59 -2.632 4.361 -6.885 1.00 14.09 N ATOM 0 H ASN A 59 -5.927 2.837 -8.748 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.272 0.790 -7.303 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.190 3.632 -6.648 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.392 2.596 -5.482 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -1.728 4.625 -7.275 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.145 5.017 -6.297 1.00 14.09 H new ATOM 945 N TYR A 60 -7.427 1.119 -7.124 1.00 10.23 N ATOM 946 CA TYR A 60 -8.668 0.620 -6.456 1.00 5.50 C ATOM 947 C TYR A 60 -8.882 -0.860 -6.808 1.00 5.21 C ATOM 948 O TYR A 60 -9.910 -1.433 -6.509 1.00 7.16 O ATOM 949 CB TYR A 60 -9.870 1.442 -6.958 1.00 3.37 C ATOM 950 CG TYR A 60 -10.019 2.721 -6.159 1.00 2.00 C ATOM 951 CD1 TYR A 60 -8.898 3.496 -5.846 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.292 3.131 -5.742 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.048 4.681 -5.116 1.00 4.04 C ATOM 954 CE2 TYR A 60 -11.442 4.313 -5.011 1.00 2.69 C ATOM 955 CZ TYR A 60 -10.319 5.090 -4.698 1.00 4.45 C ATOM 956 OH TYR A 60 -10.468 6.259 -3.978 1.00 9.52 O ATOM 0 H TYR A 60 -7.569 1.526 -8.049 1.00 10.23 H new ATOM 0 HA TYR A 60 -8.571 0.724 -5.375 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -9.738 1.681 -8.013 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -10.781 0.849 -6.877 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -7.916 3.180 -6.167 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.158 2.533 -5.985 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.182 5.280 -4.875 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -12.423 4.627 -4.688 1.00 2.69 H new ATOM 0 HH TYR A 60 -11.416 6.396 -3.768 1.00 9.52 H new ATOM 966 N VAL A 61 -7.927 -1.476 -7.453 1.00 5.00 N ATOM 967 CA VAL A 61 -8.081 -2.913 -7.837 1.00 4.84 C ATOM 968 C VAL A 61 -6.713 -3.602 -7.803 1.00 5.03 C ATOM 969 O VAL A 61 -5.688 -2.964 -7.937 1.00 5.61 O ATOM 970 CB VAL A 61 -8.660 -2.999 -9.259 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.057 -2.376 -9.289 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.756 -2.239 -10.238 1.00 2.97 C ATOM 0 H VAL A 61 -7.045 -1.047 -7.732 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.753 -3.407 -7.136 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.718 -4.048 -9.551 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.462 -2.440 -10.299 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.710 -2.914 -8.601 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -9.996 -1.330 -8.988 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.172 -2.304 -11.243 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.694 -1.193 -9.938 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.759 -2.679 -10.229 1.00 2.97 H new ATOM 982 N VAL A 62 -6.694 -4.904 -7.645 1.00 0.00 N ATOM 983 CA VAL A 62 -5.388 -5.648 -7.624 1.00 0.00 C ATOM 984 C VAL A 62 -5.252 -6.414 -8.935 1.00 0.00 C ATOM 985 O VAL A 62 -6.217 -6.640 -9.615 1.00 0.00 O ATOM 986 CB VAL A 62 -5.369 -6.641 -6.461 1.00 0.00 C ATOM 987 CG1 VAL A 62 -4.280 -7.691 -6.700 1.00 0.00 C ATOM 988 CG2 VAL A 62 -5.077 -5.899 -5.157 1.00 0.00 C ATOM 0 H VAL A 62 -7.524 -5.486 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.565 -4.944 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.340 -7.131 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.268 -8.398 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.486 -8.224 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.310 -7.199 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.064 -6.609 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.107 -5.406 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.851 -5.152 -4.982 1.00 0.00 H new ATOM 998 N VAL A 63 -4.059 -6.808 -9.294 1.00 0.00 N ATOM 999 CA VAL A 63 -3.852 -7.564 -10.574 1.00 0.00 C ATOM 1000 C VAL A 63 -3.544 -9.031 -10.266 1.00 0.00 C ATOM 1001 O VAL A 63 -2.748 -9.341 -9.402 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.681 -6.948 -11.343 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.403 -7.048 -10.508 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.487 -7.702 -12.661 1.00 0.00 C ATOM 0 H VAL A 63 -3.210 -6.639 -8.754 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.758 -7.507 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.896 -5.899 -11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.572 -6.608 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.539 -6.512 -9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.186 -8.096 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.653 -7.265 -13.211 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.274 -8.751 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.395 -7.628 -13.260 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.179 -9.934 -10.972 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.946 -11.394 -10.739 1.00 0.00 C ATOM 1016 C LEU A 64 -3.086 -11.956 -11.879 1.00 0.00 C ATOM 1017 O LEU A 64 -1.981 -12.415 -11.663 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.305 -12.119 -10.702 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.944 -12.001 -9.303 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.319 -10.538 -8.990 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -7.201 -12.881 -9.235 1.00 0.00 C ATOM 0 H LEU A 64 -4.854 -9.721 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.429 -11.544 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.972 -11.691 -11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.170 -13.170 -10.959 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.218 -12.337 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.768 -10.482 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.423 -9.919 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.032 -10.179 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.651 -12.797 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.917 -12.552 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.929 -13.920 -9.422 1.00 0.00 H new ATOM 1033 N SER A 65 -3.579 -11.930 -13.091 1.00 0.00 N ATOM 1034 CA SER A 65 -2.777 -12.468 -14.227 1.00 0.00 C ATOM 1035 C SER A 65 -1.592 -11.539 -14.501 1.00 0.00 C ATOM 1036 O SER A 65 -1.648 -10.354 -14.244 1.00 0.00 O ATOM 1037 CB SER A 65 -3.654 -12.574 -15.482 1.00 0.00 C ATOM 1038 OG SER A 65 -4.557 -13.660 -15.324 1.00 0.00 O ATOM 0 H SER A 65 -4.497 -11.562 -13.341 1.00 0.00 H new ATOM 0 HA SER A 65 -2.407 -13.460 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.204 -11.646 -15.636 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.032 -12.726 -16.364 1.00 0.00 H new ATOM 0 HG SER A 65 -5.223 -13.435 -14.641 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.514 -12.071 -15.016 1.00 0.00 N ATOM 1045 CA ASP A 66 0.682 -11.222 -15.302 1.00 0.00 C ATOM 1046 C ASP A 66 1.399 -11.761 -16.544 1.00 0.00 C ATOM 1047 O ASP A 66 1.328 -12.932 -16.855 1.00 0.00 O ATOM 1048 CB ASP A 66 1.634 -11.270 -14.104 1.00 0.00 C ATOM 1049 CG ASP A 66 2.650 -10.131 -14.213 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.355 -9.162 -14.893 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.707 -10.248 -13.613 1.00 0.00 O ATOM 0 H ASP A 66 -0.410 -13.058 -15.251 1.00 0.00 H new ATOM 0 HA ASP A 66 0.369 -10.193 -15.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.071 -11.182 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.150 -12.230 -14.074 1.00 0.00 H new ATOM 1056 N GLY A 67 2.088 -10.910 -17.257 1.00 0.00 N ATOM 1057 CA GLY A 67 2.809 -11.373 -18.480 1.00 0.00 C ATOM 1058 C GLY A 67 4.166 -11.974 -18.083 1.00 0.00 C ATOM 1059 O GLY A 67 4.368 -13.163 -18.226 1.00 0.00 O ATOM 0 H GLY A 67 2.183 -9.916 -17.047 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.211 -12.116 -19.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.956 -10.538 -19.165 1.00 0.00 H new ATOM 1063 N PRO A 68 5.062 -11.141 -17.590 1.00 0.00 N ATOM 1064 CA PRO A 68 6.397 -11.613 -17.172 1.00 0.00 C ATOM 1065 C PRO A 68 6.248 -12.675 -16.071 1.00 0.00 C ATOM 1066 O PRO A 68 6.183 -12.360 -14.900 1.00 0.00 O ATOM 1067 CB PRO A 68 7.121 -10.348 -16.650 1.00 0.00 C ATOM 1068 CG PRO A 68 6.119 -9.159 -16.753 1.00 0.00 C ATOM 1069 CD PRO A 68 4.827 -9.693 -17.413 1.00 0.00 C ATOM 0 HA PRO A 68 6.957 -12.081 -17.981 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.444 -10.489 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.016 -10.148 -17.239 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.904 -8.752 -15.765 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.545 -8.349 -17.345 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.956 -9.508 -16.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.640 -9.203 -18.369 1.00 0.00 H new ATOM 1077 N ALA A 69 6.213 -13.930 -16.447 1.00 0.00 N ATOM 1078 CA ALA A 69 6.092 -15.029 -15.451 1.00 0.00 C ATOM 1079 C ALA A 69 7.371 -15.852 -15.497 1.00 0.00 C ATOM 1080 O ALA A 69 7.447 -16.883 -16.135 1.00 0.00 O ATOM 1081 CB ALA A 69 4.901 -15.919 -15.814 1.00 0.00 C ATOM 0 H ALA A 69 6.264 -14.239 -17.418 1.00 0.00 H new ATOM 0 HA ALA A 69 5.939 -14.620 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.813 -16.724 -15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.988 -15.324 -15.810 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.053 -16.344 -16.806 1.00 0.00 H new ATOM 1087 N LEU A 70 8.372 -15.394 -14.818 1.00 0.00 N ATOM 1088 CA LEU A 70 9.672 -16.125 -14.793 1.00 0.00 C ATOM 1089 C LEU A 70 9.623 -17.206 -13.713 1.00 0.00 C ATOM 1090 O LEU A 70 9.347 -16.933 -12.562 1.00 0.00 O ATOM 1091 CB LEU A 70 10.804 -15.137 -14.477 1.00 0.00 C ATOM 1092 CG LEU A 70 11.043 -14.198 -15.678 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.685 -12.893 -15.193 1.00 0.00 C ATOM 1094 CD2 LEU A 70 11.980 -14.863 -16.696 1.00 0.00 C ATOM 0 H LEU A 70 8.352 -14.534 -14.270 1.00 0.00 H new ATOM 0 HA LEU A 70 9.852 -16.587 -15.764 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.549 -14.552 -13.593 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.719 -15.683 -14.245 1.00 0.00 H new ATOM 0 HG LEU A 70 10.084 -13.989 -16.151 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.853 -12.232 -16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.022 -12.405 -14.479 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.638 -13.113 -14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.140 -14.189 -17.538 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.936 -15.083 -16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.531 -15.790 -17.053 1.00 0.00 H new ATOM 1106 N HIS A 71 9.889 -18.431 -14.073 1.00 0.00 N ATOM 1107 CA HIS A 71 9.856 -19.528 -13.064 1.00 0.00 C ATOM 1108 C HIS A 71 8.545 -19.460 -12.280 1.00 0.00 C ATOM 1109 CB HIS A 71 11.033 -19.366 -12.101 1.00 0.00 C ATOM 1110 CG HIS A 71 11.171 -20.609 -11.262 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.196 -21.593 -11.234 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.163 -21.040 -10.419 1.00 0.00 C ATOM 1113 CE1 HIS A 71 10.619 -22.559 -10.397 1.00 0.00 C ATOM 1114 NE2 HIS A 71 11.813 -22.271 -9.872 1.00 0.00 N ATOM 0 H HIS A 71 10.128 -18.720 -15.022 1.00 0.00 H new ATOM 0 HA HIS A 71 9.927 -20.491 -13.570 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.952 -19.188 -12.660 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.876 -18.498 -11.461 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.078 -20.505 -10.211 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.061 -23.457 -10.177 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.352 -22.832 -9.212 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -14.834 -13.023 7.312 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.866 -13.251 6.204 1.00 0.00 C ATOM 1125 C GLY B 72 -13.387 -11.904 5.658 1.00 0.00 C ATOM 1126 O GLY B 72 -13.470 -11.638 4.476 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.017 -13.832 6.563 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.336 -13.831 5.410 1.00 0.00 H new ATOM 1131 N SER B 73 -12.886 -11.052 6.510 1.00 0.00 N ATOM 1132 CA SER B 73 -12.402 -9.725 6.038 1.00 0.00 C ATOM 1133 C SER B 73 -11.021 -9.882 5.399 1.00 0.00 C ATOM 1134 O SER B 73 -10.295 -10.812 5.690 1.00 0.00 O ATOM 1135 CB SER B 73 -12.308 -8.765 7.225 1.00 0.00 C ATOM 1136 OG SER B 73 -13.486 -8.877 8.013 1.00 0.00 O ATOM 0 H SER B 73 -12.791 -11.218 7.512 1.00 0.00 H new ATOM 0 HA SER B 73 -13.099 -9.326 5.301 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.430 -8.998 7.827 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.189 -7.741 6.871 1.00 0.00 H new ATOM 0 HG SER B 73 -13.429 -8.264 8.776 1.00 0.00 H new ATOM 1142 N MET B 74 -10.651 -8.978 4.534 1.00 0.00 N ATOM 1143 CA MET B 74 -9.316 -9.078 3.877 1.00 0.00 C ATOM 1144 C MET B 74 -8.239 -9.294 4.943 1.00 0.00 C ATOM 1145 O MET B 74 -8.484 -9.144 6.123 1.00 0.00 O ATOM 1146 CB MET B 74 -9.026 -7.786 3.113 1.00 0.00 C ATOM 1147 CG MET B 74 -10.261 -7.384 2.303 1.00 0.00 C ATOM 1148 SD MET B 74 -9.819 -6.063 1.146 1.00 0.00 S ATOM 1149 CE MET B 74 -11.435 -5.249 1.104 1.00 0.00 C ATOM 0 H MET B 74 -11.214 -8.175 4.254 1.00 0.00 H new ATOM 0 HA MET B 74 -9.314 -9.918 3.183 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.760 -6.991 3.810 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.173 -7.927 2.449 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.648 -8.245 1.758 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.054 -7.047 2.971 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.392 -4.388 0.437 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.187 -5.951 0.742 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.701 -4.917 2.108 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.050 -9.644 4.535 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.960 -9.868 5.527 1.00 0.00 C ATOM 1161 C GLY B 75 -4.627 -10.027 4.795 1.00 0.00 C ATOM 1162 O GLY B 75 -3.860 -10.927 5.072 1.00 0.00 O ATOM 0 H GLY B 75 -6.786 -9.784 3.560 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.908 -9.029 6.221 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.170 -10.759 6.119 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.344 -9.158 3.863 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.058 -9.261 3.112 1.00 0.00 C ATOM 1168 C VAL B 76 -2.675 -7.879 2.564 1.00 0.00 C ATOM 1169 O VAL B 76 -3.482 -7.225 1.935 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.228 -10.230 1.933 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.302 -9.818 0.787 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.872 -11.654 2.352 1.00 0.00 C ATOM 0 H VAL B 76 -4.946 -8.382 3.589 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.279 -9.625 3.782 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.269 -10.194 1.611 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.426 -10.508 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.552 -8.808 0.462 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.267 -9.844 1.128 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.999 -12.326 1.503 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.836 -11.686 2.688 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.527 -11.969 3.164 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.447 -7.487 2.794 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.939 -6.205 2.300 1.00 0.00 C ATOM 1184 C PRO B 77 -0.701 -6.315 0.811 1.00 0.00 C ATOM 1185 O PRO B 77 -0.639 -7.393 0.259 1.00 0.00 O ATOM 1186 CB PRO B 77 0.389 -5.991 3.034 1.00 0.00 C ATOM 1187 CG PRO B 77 0.699 -7.298 3.802 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.467 -8.264 3.570 1.00 0.00 C ATOM 0 HA PRO B 77 -1.630 -5.380 2.472 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.187 -5.760 2.328 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.318 -5.148 3.721 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.633 -7.735 3.450 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.822 -7.096 4.866 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.144 -9.151 3.025 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.891 -8.607 4.514 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.569 -5.209 0.160 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.335 -5.248 -1.298 1.00 0.00 C ATOM 1198 C ILE B 78 0.768 -4.267 -1.658 1.00 0.00 C ATOM 1199 O ILE B 78 0.683 -3.080 -1.405 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.632 -4.921 -2.022 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.660 -5.974 -1.612 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.397 -4.982 -3.528 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.072 -5.539 -1.981 1.00 0.00 C ATOM 0 H ILE B 78 -0.613 -4.277 0.572 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.015 -6.244 -1.606 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.985 -3.922 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.429 -6.921 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.599 -6.146 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.324 -4.748 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.631 -4.258 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.067 -5.983 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.781 -6.309 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.310 -4.605 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.137 -5.391 -3.059 1.00 0.00 H new ATOM 1215 N CYS B 79 1.820 -4.779 -2.220 1.00 0.00 N ATOM 1216 CA CYS B 79 2.971 -3.924 -2.581 1.00 0.00 C ATOM 1217 C CYS B 79 2.524 -2.824 -3.534 1.00 0.00 C ATOM 1218 O CYS B 79 2.075 -3.074 -4.635 1.00 0.00 O ATOM 1219 CB CYS B 79 4.055 -4.783 -3.228 1.00 0.00 C ATOM 1220 SG CYS B 79 5.338 -3.725 -3.937 1.00 0.00 S ATOM 0 H CYS B 79 1.931 -5.767 -2.447 1.00 0.00 H new ATOM 0 HA CYS B 79 3.375 -3.457 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.492 -5.452 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.618 -5.410 -4.005 1.00 0.00 H new ATOM 1225 N GLY B 80 2.641 -1.604 -3.105 1.00 0.00 N ATOM 1226 CA GLY B 80 2.227 -0.466 -3.965 1.00 0.00 C ATOM 1227 C GLY B 80 3.122 -0.410 -5.199 1.00 0.00 C ATOM 1228 O GLY B 80 2.969 0.441 -6.051 1.00 0.00 O ATOM 0 H GLY B 80 3.008 -1.343 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.185 -0.582 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.297 0.469 -3.409 1.00 0.00 H new ATOM 1232 N ALA B 81 4.057 -1.313 -5.302 1.00 0.00 N ATOM 1233 CA ALA B 81 4.966 -1.311 -6.480 1.00 0.00 C ATOM 1234 C ALA B 81 4.327 -2.108 -7.615 1.00 0.00 C ATOM 1235 O ALA B 81 4.266 -1.664 -8.745 1.00 0.00 O ATOM 1236 CB ALA B 81 6.303 -1.948 -6.090 1.00 0.00 C ATOM 0 H ALA B 81 4.230 -2.052 -4.621 1.00 0.00 H new ATOM 0 HA ALA B 81 5.137 -0.286 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.971 -1.948 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.756 -1.377 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.135 -2.974 -5.761 1.00 0.00 H new ATOM 1242 N CYS B 82 3.848 -3.282 -7.318 1.00 0.00 N ATOM 1243 CA CYS B 82 3.206 -4.123 -8.367 1.00 0.00 C ATOM 1244 C CYS B 82 1.732 -4.323 -8.014 1.00 0.00 C ATOM 1245 O CYS B 82 1.022 -5.059 -8.673 1.00 0.00 O ATOM 1246 CB CYS B 82 3.906 -5.482 -8.422 1.00 0.00 C ATOM 1247 SG CYS B 82 4.315 -6.015 -6.740 1.00 0.00 S ATOM 0 H CYS B 82 3.873 -3.699 -6.387 1.00 0.00 H new ATOM 0 HA CYS B 82 3.288 -3.632 -9.337 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.260 -6.217 -8.902 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.812 -5.413 -9.024 1.00 0.00 H new ATOM 1252 N ARG B 83 1.268 -3.684 -6.974 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.154 -3.848 -6.577 1.00 0.00 C ATOM 1254 C ARG B 83 -0.444 -5.337 -6.427 1.00 0.00 C ATOM 1255 O ARG B 83 -1.482 -5.826 -6.828 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.066 -3.249 -7.654 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.861 -1.726 -7.719 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.738 -1.119 -8.823 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.264 -1.570 -10.171 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.292 -0.956 -10.794 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.193 0.163 -10.327 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.167 -1.441 -11.915 1.00 0.00 N ATOM 0 H ARG B 83 1.814 -3.056 -6.384 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.340 -3.333 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.844 -3.697 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.108 -3.476 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.111 -1.277 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.188 -1.501 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.776 -1.417 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.707 -0.031 -8.764 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.710 -2.374 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.186 0.565 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.951 0.635 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.232 -2.296 -12.302 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.925 -0.965 -12.404 1.00 0.00 H new ATOM 1276 N ARG B 84 0.474 -6.062 -5.842 1.00 0.00 N ATOM 1277 CA ARG B 84 0.273 -7.528 -5.649 1.00 0.00 C ATOM 1278 C ARG B 84 0.218 -7.818 -4.144 1.00 0.00 C ATOM 1279 O ARG B 84 0.927 -7.193 -3.384 1.00 0.00 O ATOM 1280 CB ARG B 84 1.448 -8.289 -6.271 1.00 0.00 C ATOM 1281 CG ARG B 84 1.054 -8.813 -7.654 1.00 0.00 C ATOM 1282 CD ARG B 84 2.314 -9.184 -8.436 1.00 0.00 C ATOM 1283 NE ARG B 84 2.758 -10.549 -8.045 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.579 -10.707 -7.043 1.00 0.00 C ATOM 1285 NH1 ARG B 84 4.010 -9.666 -6.384 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.970 -11.903 -6.702 1.00 0.00 N ATOM 0 H ARG B 84 1.359 -5.699 -5.488 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.654 -7.845 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.315 -7.633 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.737 -9.119 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.406 -9.684 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.488 -8.054 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG B 84 2.114 -9.148 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG B 84 3.105 -8.462 -8.235 1.00 0.00 H new ATOM 0 HE ARG B 84 2.420 -11.362 -8.560 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.705 -8.730 -6.652 1.00 0.00 H new ATOM 0 HH12 ARG B 84 4.652 -9.788 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG B 84 3.634 -12.716 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.612 -12.026 -5.919 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.617 -8.748 -3.750 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.754 -9.106 -2.330 1.00 0.00 C ATOM 1302 C PRO B 85 0.597 -9.515 -1.745 1.00 0.00 C ATOM 1303 O PRO B 85 1.163 -10.526 -2.108 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.756 -10.272 -2.312 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.242 -10.501 -3.760 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.477 -9.522 -4.668 1.00 0.00 C ATOM 0 HA PRO B 85 -1.101 -8.271 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.285 -11.174 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.598 -10.042 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.059 -11.531 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.316 -10.332 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.884 -10.054 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.161 -8.871 -5.212 1.00 0.00 H new ATOM 1314 N ILE B 86 1.116 -8.731 -0.833 1.00 0.00 N ATOM 1315 CA ILE B 86 2.432 -9.086 -0.221 1.00 0.00 C ATOM 1316 C ILE B 86 2.237 -10.301 0.687 1.00 0.00 C ATOM 1317 O ILE B 86 1.137 -10.592 1.108 1.00 0.00 O ATOM 1318 CB ILE B 86 2.974 -7.892 0.577 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.246 -6.723 -0.377 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.284 -8.287 1.266 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.067 -5.395 0.366 1.00 0.00 C ATOM 0 H ILE B 86 0.691 -7.870 -0.489 1.00 0.00 H new ATOM 0 HA ILE B 86 3.156 -9.330 -0.999 1.00 0.00 H new ATOM 0 HB ILE B 86 2.239 -7.596 1.326 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.258 -6.794 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.565 -6.769 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.668 -7.438 1.832 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.102 -9.122 1.943 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.016 -8.582 0.514 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.261 -4.567 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.046 -5.323 0.742 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.766 -5.348 1.201 1.00 0.00 H new ATOM 1333 N GLU B 87 3.282 -11.031 0.979 1.00 0.00 N ATOM 1334 CA GLU B 87 3.106 -12.239 1.843 1.00 0.00 C ATOM 1335 C GLU B 87 4.444 -12.665 2.453 1.00 0.00 C ATOM 1336 O GLU B 87 4.925 -13.759 2.229 1.00 0.00 O ATOM 1337 CB GLU B 87 2.539 -13.386 1.002 1.00 0.00 C ATOM 1338 CG GLU B 87 3.198 -13.381 -0.379 1.00 0.00 C ATOM 1339 CD GLU B 87 2.954 -14.726 -1.069 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.884 -14.897 -1.626 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.842 -15.561 -1.023 1.00 0.00 O ATOM 0 H GLU B 87 4.235 -10.849 0.664 1.00 0.00 H new ATOM 0 HA GLU B 87 2.417 -11.995 2.651 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.719 -14.339 1.499 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.459 -13.278 0.902 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.791 -12.571 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.268 -13.200 -0.282 1.00 0.00 H new ATOM 1348 N GLY B 88 5.037 -11.811 3.232 1.00 0.00 N ATOM 1349 CA GLY B 88 6.333 -12.141 3.883 1.00 0.00 C ATOM 1350 C GLY B 88 6.701 -10.983 4.797 1.00 0.00 C ATOM 1351 O GLY B 88 6.148 -10.820 5.866 1.00 0.00 O ATOM 0 H GLY B 88 4.674 -10.883 3.450 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.250 -13.066 4.453 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.108 -12.297 3.133 1.00 0.00 H new ATOM 1355 N ARG B 89 7.598 -10.157 4.358 1.00 0.00 N ATOM 1356 CA ARG B 89 7.981 -8.968 5.163 1.00 0.00 C ATOM 1357 C ARG B 89 7.503 -7.742 4.398 1.00 0.00 C ATOM 1358 O ARG B 89 7.853 -7.534 3.254 1.00 0.00 O ATOM 1359 CB ARG B 89 9.492 -8.923 5.348 1.00 0.00 C ATOM 1360 CG ARG B 89 9.913 -9.986 6.365 1.00 0.00 C ATOM 1361 CD ARG B 89 11.355 -9.729 6.812 1.00 0.00 C ATOM 1362 NE ARG B 89 12.124 -11.013 6.836 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.606 -12.096 7.355 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.440 -12.057 7.940 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.270 -13.218 7.310 1.00 0.00 N ATOM 0 H ARG B 89 8.088 -10.253 3.469 1.00 0.00 H new ATOM 0 HA ARG B 89 7.529 -9.006 6.154 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.991 -9.098 4.395 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.798 -7.935 5.691 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.245 -9.964 7.226 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.830 -10.979 5.923 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.833 -9.022 6.134 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.361 -9.274 7.803 1.00 0.00 H new ATOM 0 HE ARG B 89 13.064 -11.044 6.442 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.926 -11.178 7.995 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.043 -12.906 8.342 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.190 -13.249 6.871 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.869 -14.064 7.714 1.00 0.00 H new ATOM 1379 N VAL B 90 6.662 -6.963 5.002 1.00 0.00 N ATOM 1380 CA VAL B 90 6.102 -5.773 4.293 1.00 0.00 C ATOM 1381 C VAL B 90 6.847 -4.501 4.679 1.00 0.00 C ATOM 1382 O VAL B 90 7.460 -4.412 5.726 1.00 0.00 O ATOM 1383 CB VAL B 90 4.629 -5.617 4.678 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.997 -4.466 3.886 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.876 -6.916 4.369 1.00 0.00 C ATOM 0 H VAL B 90 6.333 -7.093 5.959 1.00 0.00 H new ATOM 0 HA VAL B 90 6.210 -5.927 3.219 1.00 0.00 H new ATOM 0 HB VAL B 90 4.564 -5.399 5.744 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.949 -4.363 4.167 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.525 -3.539 4.108 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.067 -4.677 2.819 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.827 -6.803 4.644 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.950 -7.135 3.304 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.314 -7.735 4.939 1.00 0.00 H new ATOM 1395 N VAL B 91 6.760 -3.498 3.847 1.00 0.00 N ATOM 1396 CA VAL B 91 7.411 -2.199 4.148 1.00 0.00 C ATOM 1397 C VAL B 91 6.324 -1.135 4.127 1.00 0.00 C ATOM 1398 O VAL B 91 5.702 -0.896 3.114 1.00 0.00 O ATOM 1399 CB VAL B 91 8.476 -1.879 3.095 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.745 -0.369 3.080 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.767 -2.615 3.449 1.00 0.00 C ATOM 0 H VAL B 91 6.257 -3.528 2.960 1.00 0.00 H new ATOM 0 HA VAL B 91 7.903 -2.234 5.120 1.00 0.00 H new ATOM 0 HB VAL B 91 8.125 -2.196 2.113 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.503 -0.142 2.330 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.825 0.162 2.838 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.099 -0.053 4.061 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.530 -2.391 2.703 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.113 -2.291 4.430 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.581 -3.689 3.467 1.00 0.00 H new ATOM 1411 N ASN B 92 6.066 -0.510 5.235 1.00 0.00 N ATOM 1412 CA ASN B 92 4.997 0.519 5.260 1.00 0.00 C ATOM 1413 C ASN B 92 5.592 1.882 4.919 1.00 0.00 C ATOM 1414 O ASN B 92 6.277 2.493 5.715 1.00 0.00 O ATOM 1415 CB ASN B 92 4.367 0.561 6.649 1.00 0.00 C ATOM 1416 CG ASN B 92 3.594 -0.735 6.901 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.677 -0.764 7.698 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.929 -1.815 6.248 1.00 0.00 N ATOM 0 H ASN B 92 6.546 -0.665 6.121 1.00 0.00 H new ATOM 0 HA ASN B 92 4.232 0.269 4.525 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.140 0.688 7.406 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.697 1.417 6.730 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.421 -2.685 6.406 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.699 -1.789 5.579 1.00 0.00 H new ATOM 1425 N ALA B 93 5.330 2.361 3.737 1.00 0.00 N ATOM 1426 CA ALA B 93 5.871 3.684 3.324 1.00 0.00 C ATOM 1427 C ALA B 93 4.840 4.384 2.445 1.00 0.00 C ATOM 1428 O ALA B 93 3.962 3.755 1.891 1.00 0.00 O ATOM 1429 CB ALA B 93 7.161 3.478 2.530 1.00 0.00 C ATOM 0 H ALA B 93 4.760 1.890 3.034 1.00 0.00 H new ATOM 0 HA ALA B 93 6.082 4.292 4.204 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.560 4.446 2.226 1.00 0.00 H new ATOM 0 HB2 ALA B 93 7.893 2.963 3.152 1.00 0.00 H new ATOM 0 HB3 ALA B 93 6.951 2.878 1.645 1.00 0.00 H new ATOM 1435 N MET B 94 4.928 5.677 2.318 1.00 0.00 N ATOM 1436 CA MET B 94 3.937 6.401 1.478 1.00 0.00 C ATOM 1437 C MET B 94 2.551 6.114 2.031 1.00 0.00 C ATOM 1438 O MET B 94 1.545 6.294 1.373 1.00 0.00 O ATOM 1439 CB MET B 94 4.014 5.896 0.034 1.00 0.00 C ATOM 1440 CG MET B 94 5.475 5.770 -0.409 1.00 0.00 C ATOM 1441 SD MET B 94 6.131 7.414 -0.775 1.00 0.00 S ATOM 1442 CE MET B 94 7.808 7.155 -0.146 1.00 0.00 C ATOM 0 H MET B 94 5.639 6.261 2.757 1.00 0.00 H new ATOM 0 HA MET B 94 4.145 7.471 1.493 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.518 4.929 -0.047 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.485 6.582 -0.627 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.065 5.296 0.375 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.546 5.133 -1.290 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.274 8.120 0.055 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.765 6.574 0.775 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.396 6.615 -0.889 1.00 0.00 H new ATOM 1452 N GLY B 95 2.508 5.646 3.236 1.00 0.00 N ATOM 1453 CA GLY B 95 1.203 5.311 3.858 1.00 0.00 C ATOM 1454 C GLY B 95 0.646 4.075 3.157 1.00 0.00 C ATOM 1455 O GLY B 95 -0.546 3.849 3.109 1.00 0.00 O ATOM 0 H GLY B 95 3.324 5.479 3.824 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.327 5.120 4.924 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.510 6.147 3.763 1.00 0.00 H new ATOM 1459 N LYS B 96 1.520 3.286 2.598 1.00 0.00 N ATOM 1460 CA LYS B 96 1.093 2.060 1.867 1.00 0.00 C ATOM 1461 C LYS B 96 1.907 0.860 2.354 1.00 0.00 C ATOM 1462 O LYS B 96 2.410 0.836 3.455 1.00 0.00 O ATOM 1463 CB LYS B 96 1.352 2.268 0.370 1.00 0.00 C ATOM 1464 CG LYS B 96 0.490 3.427 -0.159 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.322 2.959 -1.372 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.990 4.163 -2.036 1.00 0.00 C ATOM 1467 NZ LYS B 96 -2.040 4.712 -1.131 1.00 0.00 N ATOM 0 H LYS B 96 2.528 3.441 2.617 1.00 0.00 H new ATOM 0 HA LYS B 96 0.034 1.873 2.046 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.407 2.483 0.202 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.122 1.354 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.180 3.781 0.624 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.126 4.267 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.329 2.452 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -1.077 2.237 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.247 4.930 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.433 3.868 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.585 5.442 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.678 3.946 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.591 5.132 -0.292 1.00 0.00 H new ATOM 1481 N GLN B 97 2.032 -0.129 1.516 1.00 0.00 N ATOM 1482 CA GLN B 97 2.804 -1.349 1.861 1.00 0.00 C ATOM 1483 C GLN B 97 3.667 -1.680 0.643 1.00 0.00 C ATOM 1484 O GLN B 97 3.253 -1.463 -0.478 1.00 0.00 O ATOM 1485 CB GLN B 97 1.815 -2.482 2.141 1.00 0.00 C ATOM 1486 CG GLN B 97 1.231 -2.303 3.556 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.250 -2.699 3.588 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.898 -2.581 4.608 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.820 -3.168 2.511 1.00 0.00 N ATOM 0 H GLN B 97 1.620 -0.141 0.583 1.00 0.00 H new ATOM 0 HA GLN B 97 3.431 -1.208 2.742 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.015 -2.475 1.400 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.316 -3.447 2.060 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.791 -2.913 4.265 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.342 -1.265 3.871 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.281 -3.269 1.651 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.805 -3.433 2.529 1.00 0.00 H new ATOM 1498 N TRP B 98 4.867 -2.156 0.827 1.00 0.00 N ATOM 1499 CA TRP B 98 5.723 -2.435 -0.364 1.00 0.00 C ATOM 1500 C TRP B 98 6.531 -3.717 -0.159 1.00 0.00 C ATOM 1501 O TRP B 98 7.052 -3.958 0.910 1.00 0.00 O ATOM 1502 CB TRP B 98 6.681 -1.256 -0.546 1.00 0.00 C ATOM 1503 CG TRP B 98 5.895 0.011 -0.640 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.438 0.731 0.412 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.463 0.716 -1.833 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.747 1.833 -0.068 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.737 1.865 -1.446 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.633 0.468 -3.200 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.195 2.735 -2.392 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.093 1.337 -4.155 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.373 2.470 -3.752 1.00 0.00 C ATOM 0 H TRP B 98 5.288 -2.362 1.733 1.00 0.00 H new ATOM 0 HA TRP B 98 5.093 -2.564 -1.244 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.376 -1.205 0.292 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.278 -1.394 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.587 0.487 1.453 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.301 2.533 0.525 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.186 -0.402 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.642 3.607 -2.075 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.232 1.134 -5.207 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.956 3.137 -4.492 1.00 0.00 H new ATOM 1522 N HIS B 99 6.672 -4.525 -1.181 1.00 0.00 N ATOM 1523 CA HIS B 99 7.491 -5.757 -1.008 1.00 0.00 C ATOM 1524 C HIS B 99 8.870 -5.310 -0.537 1.00 0.00 C ATOM 1525 O HIS B 99 9.460 -4.410 -1.102 1.00 0.00 O ATOM 1526 CB HIS B 99 7.647 -6.505 -2.337 1.00 0.00 C ATOM 1527 CG HIS B 99 6.435 -7.349 -2.616 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.613 -7.116 -3.703 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.907 -8.439 -1.972 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.639 -8.044 -3.686 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.774 -8.876 -2.650 1.00 0.00 N ATOM 0 H HIS B 99 6.265 -4.388 -2.106 1.00 0.00 H new ATOM 0 HA HIS B 99 7.008 -6.426 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.793 -5.791 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.536 -7.135 -2.303 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.309 -8.889 -1.076 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.848 -8.108 -4.418 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.174 -9.664 -2.408 1.00 0.00 H new ATOM 1539 N VAL B 100 9.394 -5.915 0.479 1.00 0.00 N ATOM 1540 CA VAL B 100 10.736 -5.500 0.953 1.00 0.00 C ATOM 1541 C VAL B 100 11.698 -5.536 -0.229 1.00 0.00 C ATOM 1542 O VAL B 100 12.791 -5.012 -0.181 1.00 0.00 O ATOM 1543 CB VAL B 100 11.198 -6.475 2.032 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.720 -6.401 2.180 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.530 -6.104 3.355 1.00 0.00 C ATOM 0 H VAL B 100 8.957 -6.675 1.001 1.00 0.00 H new ATOM 0 HA VAL B 100 10.705 -4.492 1.368 1.00 0.00 H new ATOM 0 HB VAL B 100 10.920 -7.491 1.753 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.045 -7.099 2.952 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.191 -6.663 1.232 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.009 -5.389 2.462 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.854 -6.796 4.133 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.811 -5.088 3.632 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.447 -6.163 3.245 1.00 0.00 H new ATOM 1555 N GLU B 101 11.291 -6.175 -1.286 1.00 0.00 N ATOM 1556 CA GLU B 101 12.165 -6.282 -2.483 1.00 0.00 C ATOM 1557 C GLU B 101 11.821 -5.187 -3.503 1.00 0.00 C ATOM 1558 O GLU B 101 12.654 -4.789 -4.292 1.00 0.00 O ATOM 1559 CB GLU B 101 11.955 -7.659 -3.123 1.00 0.00 C ATOM 1560 CG GLU B 101 12.660 -7.724 -4.480 1.00 0.00 C ATOM 1561 CD GLU B 101 14.123 -7.305 -4.324 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.850 -8.005 -3.639 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.492 -6.289 -4.889 1.00 0.00 O ATOM 0 H GLU B 101 10.383 -6.632 -1.373 1.00 0.00 H new ATOM 0 HA GLU B 101 13.205 -6.158 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.343 -8.437 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.889 -7.851 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.603 -8.736 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.158 -7.069 -5.192 1.00 0.00 H new ATOM 1570 N HIS B 102 10.602 -4.707 -3.512 1.00 0.00 N ATOM 1571 CA HIS B 102 10.227 -3.653 -4.508 1.00 0.00 C ATOM 1572 C HIS B 102 10.292 -2.264 -3.878 1.00 0.00 C ATOM 1573 O HIS B 102 10.169 -1.268 -4.563 1.00 0.00 O ATOM 1574 CB HIS B 102 8.813 -3.914 -5.037 1.00 0.00 C ATOM 1575 CG HIS B 102 8.788 -5.231 -5.768 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.652 -6.030 -5.856 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.766 -5.902 -6.465 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.979 -7.117 -6.580 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.252 -7.089 -6.973 1.00 0.00 N ATOM 0 H HIS B 102 9.856 -4.995 -2.879 1.00 0.00 H new ATOM 0 HA HIS B 102 10.937 -3.693 -5.334 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.101 -3.930 -4.212 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.508 -3.109 -5.705 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.781 -5.558 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.292 -7.916 -6.814 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.744 -7.789 -7.528 1.00 0.00 H new ATOM 1587 N PHE B 103 10.517 -2.165 -2.598 1.00 0.00 N ATOM 1588 CA PHE B 103 10.619 -0.812 -1.997 1.00 0.00 C ATOM 1589 C PHE B 103 12.018 -0.305 -2.286 1.00 0.00 C ATOM 1590 O PHE B 103 12.991 -0.781 -1.734 1.00 0.00 O ATOM 1591 CB PHE B 103 10.379 -0.848 -0.488 1.00 0.00 C ATOM 1592 CG PHE B 103 10.156 0.568 -0.005 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.080 1.316 -0.500 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.033 1.142 0.924 1.00 0.00 C ATOM 1595 CE1 PHE B 103 8.882 2.630 -0.069 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.832 2.460 1.354 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.757 3.204 0.857 1.00 0.00 C ATOM 0 H PHE B 103 10.632 -2.948 -1.954 1.00 0.00 H new ATOM 0 HA PHE B 103 9.859 -0.157 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.513 -1.468 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.234 -1.292 0.021 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.402 0.876 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.864 0.569 1.309 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.051 3.203 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.508 2.902 2.070 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.603 4.220 1.188 1.00 0.00 H new ATOM 1607 N VAL B 104 12.136 0.618 -3.192 1.00 0.00 N ATOM 1608 CA VAL B 104 13.481 1.120 -3.573 1.00 0.00 C ATOM 1609 C VAL B 104 13.504 2.639 -3.629 1.00 0.00 C ATOM 1610 O VAL B 104 12.497 3.308 -3.494 1.00 0.00 O ATOM 1611 CB VAL B 104 13.814 0.599 -4.972 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.779 -0.935 -5.001 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.792 1.162 -5.965 1.00 0.00 C ATOM 0 H VAL B 104 11.356 1.049 -3.688 1.00 0.00 H new ATOM 0 HA VAL B 104 14.201 0.777 -2.830 1.00 0.00 H new ATOM 0 HB VAL B 104 14.818 0.922 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.019 -1.285 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.510 -1.329 -4.295 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.783 -1.282 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.019 0.797 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.791 0.839 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.838 2.251 -5.956 1.00 0.00 H new ATOM 1623 N CYS B 105 14.663 3.172 -3.863 1.00 0.00 N ATOM 1624 CA CYS B 105 14.817 4.642 -3.977 1.00 0.00 C ATOM 1625 C CYS B 105 14.006 5.145 -5.167 1.00 0.00 C ATOM 1626 O CYS B 105 13.832 4.451 -6.150 1.00 0.00 O ATOM 1627 CB CYS B 105 16.295 4.948 -4.194 1.00 0.00 C ATOM 1628 SG CYS B 105 16.497 6.587 -4.938 1.00 0.00 S ATOM 0 H CYS B 105 15.526 2.642 -3.982 1.00 0.00 H new ATOM 0 HA CYS B 105 14.460 5.135 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.825 4.905 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.739 4.191 -4.840 1.00 0.00 H new ATOM 1633 N ALA B 106 13.503 6.343 -5.090 1.00 0.00 N ATOM 1634 CA ALA B 106 12.699 6.887 -6.215 1.00 0.00 C ATOM 1635 C ALA B 106 13.612 7.658 -7.177 1.00 0.00 C ATOM 1636 O ALA B 106 13.188 8.582 -7.842 1.00 0.00 O ATOM 1637 CB ALA B 106 11.635 7.820 -5.645 1.00 0.00 C ATOM 0 H ALA B 106 13.615 6.971 -4.294 1.00 0.00 H new ATOM 0 HA ALA B 106 12.222 6.074 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.035 8.228 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.991 7.264 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.117 8.635 -5.105 1.00 0.00 H new ATOM 1643 N LYS B 107 14.863 7.278 -7.254 1.00 0.00 N ATOM 1644 CA LYS B 107 15.814 7.982 -8.173 1.00 0.00 C ATOM 1645 C LYS B 107 16.717 6.967 -8.874 1.00 0.00 C ATOM 1646 O LYS B 107 17.150 7.176 -9.990 1.00 0.00 O ATOM 1647 CB LYS B 107 16.695 8.943 -7.366 1.00 0.00 C ATOM 1648 CG LYS B 107 17.616 9.730 -8.306 1.00 0.00 C ATOM 1649 CD LYS B 107 16.776 10.555 -9.293 1.00 0.00 C ATOM 1650 CE LYS B 107 17.532 11.829 -9.680 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.351 12.857 -8.616 1.00 0.00 N ATOM 0 H LYS B 107 15.269 6.510 -6.720 1.00 0.00 H new ATOM 0 HA LYS B 107 15.236 8.534 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.070 9.631 -6.797 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.291 8.384 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.263 10.389 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.264 9.045 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.561 9.964 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.818 10.813 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.592 11.610 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.163 12.208 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.458 13.806 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.402 12.764 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.067 12.719 -7.875 1.00 0.00 H new ATOM 1665 N CYS B 108 17.027 5.877 -8.220 1.00 0.00 N ATOM 1666 CA CYS B 108 17.929 4.857 -8.839 1.00 0.00 C ATOM 1667 C CYS B 108 17.292 3.473 -8.754 1.00 0.00 C ATOM 1668 O CYS B 108 17.708 2.550 -9.424 1.00 0.00 O ATOM 1669 CB CYS B 108 19.247 4.849 -8.072 1.00 0.00 C ATOM 1670 SG CYS B 108 18.935 4.311 -6.379 1.00 0.00 S ATOM 0 H CYS B 108 16.695 5.648 -7.283 1.00 0.00 H new ATOM 0 HA CYS B 108 18.097 5.105 -9.887 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.960 4.180 -8.555 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.691 5.844 -8.075 1.00 0.00 H new ATOM 1675 N GLU B 109 16.288 3.316 -7.937 1.00 0.00 N ATOM 1676 CA GLU B 109 15.624 1.997 -7.804 1.00 0.00 C ATOM 1677 C GLU B 109 16.535 1.020 -7.065 1.00 0.00 C ATOM 1678 O GLU B 109 16.705 -0.112 -7.469 1.00 0.00 O ATOM 1679 CB GLU B 109 15.268 1.433 -9.188 1.00 0.00 C ATOM 1680 CG GLU B 109 14.759 2.561 -10.095 1.00 0.00 C ATOM 1681 CD GLU B 109 13.796 1.986 -11.136 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.640 1.786 -10.799 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.229 1.759 -12.254 1.00 0.00 O ATOM 0 H GLU B 109 15.898 4.055 -7.352 1.00 0.00 H new ATOM 0 HA GLU B 109 14.706 2.130 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.144 0.962 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.505 0.660 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.255 3.321 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.598 3.049 -10.591 1.00 0.00 H new ATOM 1690 N LYS B 110 17.098 1.443 -5.962 1.00 0.00 N ATOM 1691 CA LYS B 110 17.968 0.528 -5.165 1.00 0.00 C ATOM 1692 C LYS B 110 17.137 0.021 -3.974 1.00 0.00 C ATOM 1693 O LYS B 110 16.814 0.791 -3.092 1.00 0.00 O ATOM 1694 CB LYS B 110 19.193 1.290 -4.655 1.00 0.00 C ATOM 1695 CG LYS B 110 20.284 0.296 -4.238 1.00 0.00 C ATOM 1696 CD LYS B 110 20.196 0.023 -2.734 1.00 0.00 C ATOM 1697 CE LYS B 110 21.302 -0.952 -2.325 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.615 -0.443 -2.813 1.00 0.00 N ATOM 0 H LYS B 110 16.993 2.383 -5.579 1.00 0.00 H new ATOM 0 HA LYS B 110 18.312 -0.306 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.570 1.954 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.916 1.917 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.170 -0.636 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.267 0.697 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.295 0.955 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.220 -0.394 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.322 -1.062 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.104 -1.939 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.380 -0.851 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.745 -0.716 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.637 0.594 -2.733 1.00 0.00 H new ATOM 1712 N PRO B 111 16.778 -1.244 -3.993 1.00 0.00 N ATOM 1713 CA PRO B 111 15.940 -1.826 -2.929 1.00 0.00 C ATOM 1714 C PRO B 111 16.682 -1.925 -1.604 1.00 0.00 C ATOM 1715 O PRO B 111 17.829 -2.320 -1.535 1.00 0.00 O ATOM 1716 CB PRO B 111 15.589 -3.230 -3.430 1.00 0.00 C ATOM 1717 CG PRO B 111 16.416 -3.490 -4.708 1.00 0.00 C ATOM 1718 CD PRO B 111 17.164 -2.191 -5.055 1.00 0.00 C ATOM 0 HA PRO B 111 15.065 -1.205 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.816 -3.976 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.522 -3.305 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.121 -4.306 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.765 -3.788 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.243 -2.348 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.879 -1.820 -6.040 1.00 0.00 H new ATOM 1726 N PHE B 112 16.001 -1.601 -0.546 1.00 0.00 N ATOM 1727 CA PHE B 112 16.622 -1.702 0.809 1.00 0.00 C ATOM 1728 C PHE B 112 16.235 -3.043 1.432 1.00 0.00 C ATOM 1729 O PHE B 112 15.665 -3.091 2.505 1.00 0.00 O ATOM 1730 CB PHE B 112 16.868 -0.365 2.467 1.00 0.00 C ATOM 1731 CG PHE B 112 15.881 0.662 0.895 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.686 0.807 0.186 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.847 1.671 0.859 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.457 1.967 -0.564 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.621 2.826 0.109 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.426 2.979 -0.601 1.00 0.00 C ATOM 0 H PHE B 112 15.037 -1.269 -0.556 1.00 0.00 H new ATOM 0 HA PHE B 112 17.558 -1.388 0.347 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.324 -0.564 3.390 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.874 -0.055 2.750 1.00 0.00 H new ATOM 0 HD1 PHE B 112 13.941 0.026 0.216 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.768 1.557 1.411 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.534 2.082 -1.114 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.370 3.603 0.077 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.250 3.876 -1.177 1.00 0.00 H new ATOM 1745 N LEU B 113 16.533 -4.127 0.775 1.00 0.00 N ATOM 1746 CA LEU B 113 16.175 -5.464 1.340 1.00 0.00 C ATOM 1747 C LEU B 113 16.408 -5.444 2.852 1.00 0.00 C ATOM 1748 O LEU B 113 15.521 -5.719 3.636 1.00 0.00 O ATOM 1749 CB LEU B 113 17.066 -6.535 0.707 1.00 0.00 C ATOM 1750 CG LEU B 113 16.421 -7.031 -0.593 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.232 -5.851 -1.527 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.325 -8.064 -1.264 1.00 0.00 C ATOM 0 H LEU B 113 17.008 -4.149 -0.127 1.00 0.00 H new ATOM 0 HA LEU B 113 15.129 -5.687 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.055 -6.126 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.202 -7.366 1.399 1.00 0.00 H new ATOM 0 HG LEU B 113 15.459 -7.492 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.774 -6.192 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.586 -5.112 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.200 -5.400 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.859 -8.411 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.289 -7.610 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.473 -8.909 -0.592 1.00 0.00 H new ATOM 1764 N GLY B 114 17.597 -5.106 3.256 1.00 0.00 N ATOM 1765 CA GLY B 114 17.913 -5.043 4.711 1.00 0.00 C ATOM 1766 C GLY B 114 18.693 -3.760 4.993 1.00 0.00 C ATOM 1767 O GLY B 114 19.522 -3.707 5.880 1.00 0.00 O ATOM 0 H GLY B 114 18.372 -4.868 2.637 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.994 -5.062 5.297 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.499 -5.913 5.008 1.00 0.00 H new ATOM 1771 N HIS B 115 18.435 -2.723 4.237 1.00 0.00 N ATOM 1772 CA HIS B 115 19.164 -1.434 4.445 1.00 0.00 C ATOM 1773 C HIS B 115 18.181 -0.340 4.873 1.00 0.00 C ATOM 1774 O HIS B 115 16.991 -0.566 4.980 1.00 0.00 O ATOM 1775 CB HIS B 115 19.854 -1.022 3.141 1.00 0.00 C ATOM 1776 CG HIS B 115 20.266 -2.248 2.374 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.157 -2.330 0.994 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.783 -3.451 2.782 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.603 -3.545 0.626 1.00 0.00 C ATOM 1780 NE2 HIS B 115 20.998 -4.269 1.676 1.00 0.00 N ATOM 0 H HIS B 115 17.749 -2.713 3.482 1.00 0.00 H new ATOM 0 HA HIS B 115 19.911 -1.567 5.227 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.179 -0.414 2.538 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.728 -0.408 3.359 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.992 -3.723 3.806 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.637 -3.893 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.376 -5.217 1.669 1.00 0.00 H new ATOM 1788 N ARG B 116 18.674 0.845 5.114 1.00 0.00 N ATOM 1789 CA ARG B 116 17.783 1.967 5.533 1.00 0.00 C ATOM 1790 C ARG B 116 17.376 2.779 4.301 1.00 0.00 C ATOM 1791 O ARG B 116 18.148 2.946 3.377 1.00 0.00 O ATOM 1792 CB ARG B 116 18.542 2.874 6.513 1.00 0.00 C ATOM 1793 CG ARG B 116 17.835 4.230 6.630 1.00 0.00 C ATOM 1794 CD ARG B 116 18.377 4.986 7.846 1.00 0.00 C ATOM 1795 NE ARG B 116 17.543 6.199 8.087 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.626 6.829 9.226 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.437 6.403 10.152 1.00 0.00 N ATOM 1798 NH2 ARG B 116 16.893 7.891 9.438 1.00 0.00 N ATOM 0 H ARG B 116 19.662 1.086 5.038 1.00 0.00 H new ATOM 0 HA ARG B 116 16.891 1.568 6.017 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.598 2.398 7.492 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.566 3.017 6.169 1.00 0.00 H new ATOM 0 HG2 ARG B 116 17.995 4.815 5.724 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.759 4.084 6.729 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.363 4.341 8.725 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.415 5.272 7.677 1.00 0.00 H new ATOM 0 HE ARG B 116 16.909 6.535 7.362 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.009 5.575 9.987 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.500 6.898 11.042 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.258 8.225 8.713 1.00 0.00 H new ATOM 0 HH22 ARG B 116 16.956 8.385 10.328 1.00 0.00 H new ATOM 1812 N HIS B 117 16.173 3.294 4.284 1.00 0.00 N ATOM 1813 CA HIS B 117 15.721 4.108 3.114 1.00 0.00 C ATOM 1814 C HIS B 117 15.451 5.537 3.564 1.00 0.00 C ATOM 1815 O HIS B 117 15.436 5.845 4.738 1.00 0.00 O ATOM 1816 CB HIS B 117 14.439 3.530 2.527 1.00 0.00 C ATOM 1817 CG HIS B 117 13.503 3.154 3.640 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.537 1.911 4.249 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.497 3.852 4.263 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.580 1.898 5.198 1.00 0.00 C ATOM 1821 NE2 HIS B 117 11.916 3.057 5.248 1.00 0.00 N ATOM 0 H HIS B 117 15.484 3.186 5.029 1.00 0.00 H new ATOM 0 HA HIS B 117 16.504 4.092 2.356 1.00 0.00 H new ATOM 0 HB2 HIS B 117 13.966 4.260 1.871 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.667 2.655 1.918 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.202 4.863 4.025 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.375 1.054 5.840 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.149 3.306 5.873 1.00 0.00 H new ATOM 1829 N TYR B 118 15.256 6.414 2.623 1.00 0.00 N ATOM 1830 CA TYR B 118 15.005 7.837 2.954 1.00 0.00 C ATOM 1831 C TYR B 118 13.796 8.329 2.146 1.00 0.00 C ATOM 1832 O TYR B 118 13.642 8.002 0.986 1.00 0.00 O ATOM 1833 CB TYR B 118 16.271 8.613 2.603 1.00 0.00 C ATOM 1834 CG TYR B 118 17.452 7.861 3.184 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.838 6.627 2.637 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.141 8.373 4.289 1.00 0.00 C ATOM 1837 CE1 TYR B 118 18.902 5.913 3.194 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.203 7.652 4.846 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.580 6.425 4.301 1.00 0.00 C ATOM 1840 OH TYR B 118 20.625 5.716 4.860 1.00 0.00 O ATOM 0 H TYR B 118 15.260 6.200 1.626 1.00 0.00 H new ATOM 0 HA TYR B 118 14.777 7.978 4.010 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.373 8.708 1.522 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.224 9.624 3.009 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.311 6.228 1.783 1.00 0.00 H new ATOM 0 HD2 TYR B 118 17.853 9.324 4.712 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.199 4.966 2.768 1.00 0.00 H new ATOM 0 HE2 TYR B 118 19.732 8.047 5.701 1.00 0.00 H new ATOM 0 HH TYR B 118 20.831 4.939 4.299 1.00 0.00 H new ATOM 1850 N GLU B 119 12.920 9.082 2.764 1.00 0.00 N ATOM 1851 CA GLU B 119 11.694 9.557 2.046 1.00 0.00 C ATOM 1852 C GLU B 119 11.786 11.047 1.718 1.00 0.00 C ATOM 1853 O GLU B 119 12.371 11.826 2.443 1.00 0.00 O ATOM 1854 CB GLU B 119 10.472 9.321 2.942 1.00 0.00 C ATOM 1855 CG GLU B 119 10.005 7.872 2.800 1.00 0.00 C ATOM 1856 CD GLU B 119 8.963 7.562 3.875 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.793 7.801 3.625 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.351 7.093 4.932 1.00 0.00 O ATOM 0 H GLU B 119 13.000 9.389 3.734 1.00 0.00 H new ATOM 0 HA GLU B 119 11.604 9.003 1.112 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.724 9.532 3.981 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.668 10.002 2.664 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.579 7.712 1.809 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.854 7.195 2.896 1.00 0.00 H new ATOM 1865 N ARG B 120 11.188 11.446 0.627 1.00 0.00 N ATOM 1866 CA ARG B 120 11.210 12.885 0.239 1.00 0.00 C ATOM 1867 C ARG B 120 9.966 13.236 -0.584 1.00 0.00 C ATOM 1868 O ARG B 120 9.638 12.579 -1.554 1.00 0.00 O ATOM 1869 CB ARG B 120 12.452 13.182 -0.597 1.00 0.00 C ATOM 1870 CG ARG B 120 12.535 14.692 -0.883 1.00 0.00 C ATOM 1871 CD ARG B 120 12.585 14.934 -2.394 1.00 0.00 C ATOM 1872 NE ARG B 120 11.473 14.200 -3.058 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.155 14.479 -4.294 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.814 15.396 -4.945 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.182 13.834 -4.878 1.00 0.00 N ATOM 0 H ARG B 120 10.683 10.834 -0.014 1.00 0.00 H new ATOM 0 HA ARG B 120 11.224 13.484 1.150 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.346 12.853 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.413 12.626 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.672 15.200 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.422 15.113 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.506 16.001 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.543 14.601 -2.794 1.00 0.00 H new ATOM 0 HE ARG B 120 10.960 13.480 -2.549 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.578 15.895 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.566 15.614 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.671 13.113 -4.369 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.933 14.051 -5.843 1.00 0.00 H new ATOM 1889 N LYS B 121 9.282 14.278 -0.201 1.00 0.00 N ATOM 1890 CA LYS B 121 8.064 14.706 -0.939 1.00 0.00 C ATOM 1891 C LYS B 121 7.132 13.521 -1.111 1.00 0.00 C ATOM 1892 O LYS B 121 6.293 13.497 -1.990 1.00 0.00 O ATOM 1893 CB LYS B 121 8.452 15.257 -2.313 1.00 0.00 C ATOM 1894 CG LYS B 121 9.204 16.580 -2.148 1.00 0.00 C ATOM 1895 CD LYS B 121 9.256 17.308 -3.491 1.00 0.00 C ATOM 1896 CE LYS B 121 9.962 18.653 -3.314 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.073 19.588 -2.567 1.00 0.00 N ATOM 0 H LYS B 121 9.520 14.858 0.603 1.00 0.00 H new ATOM 0 HA LYS B 121 7.559 15.487 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.077 14.536 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.559 15.409 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.707 17.203 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.214 16.393 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.785 16.701 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.247 17.462 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.899 18.516 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.214 19.074 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.421 20.562 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.105 19.521 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.071 19.334 -1.558 1.00 0.00 H new ATOM 1911 N GLY B 122 7.261 12.542 -0.270 1.00 0.00 N ATOM 1912 CA GLY B 122 6.369 11.365 -0.382 1.00 0.00 C ATOM 1913 C GLY B 122 6.958 10.364 -1.368 1.00 0.00 C ATOM 1914 O GLY B 122 6.252 9.641 -2.040 1.00 0.00 O ATOM 0 H GLY B 122 7.943 12.505 0.488 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.244 10.897 0.595 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.379 11.678 -0.714 1.00 0.00 H new ATOM 1918 N LEU B 123 8.254 10.319 -1.453 1.00 0.00 N ATOM 1919 CA LEU B 123 8.915 9.364 -2.382 1.00 0.00 C ATOM 1920 C LEU B 123 10.190 8.843 -1.728 1.00 0.00 C ATOM 1921 O LEU B 123 10.881 9.561 -1.032 1.00 0.00 O ATOM 1922 CB LEU B 123 9.261 10.058 -3.701 1.00 0.00 C ATOM 1923 CG LEU B 123 8.041 10.096 -4.617 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.414 10.834 -5.901 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.598 8.661 -4.952 1.00 0.00 C ATOM 0 H LEU B 123 8.890 10.907 -0.915 1.00 0.00 H new ATOM 0 HA LEU B 123 8.237 8.537 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.609 11.072 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.078 9.530 -4.194 1.00 0.00 H new ATOM 0 HG LEU B 123 7.220 10.611 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.550 10.868 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.726 11.850 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.232 10.311 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.727 8.693 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.411 8.137 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.342 8.135 -4.032 1.00 0.00 H new ATOM 1937 N ALA B 124 10.494 7.595 -1.929 1.00 0.00 N ATOM 1938 CA ALA B 124 11.713 7.026 -1.297 1.00 0.00 C ATOM 1939 C ALA B 124 12.964 7.478 -2.036 1.00 0.00 C ATOM 1940 O ALA B 124 12.945 7.749 -3.220 1.00 0.00 O ATOM 1941 CB ALA B 124 11.653 5.500 -1.348 1.00 0.00 C ATOM 0 H ALA B 124 9.954 6.946 -2.501 1.00 0.00 H new ATOM 0 HA ALA B 124 11.754 7.374 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.548 5.085 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.771 5.152 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.597 5.173 -2.386 1.00 0.00 H new ATOM 1947 N TYR B 125 14.064 7.534 -1.341 1.00 0.00 N ATOM 1948 CA TYR B 125 15.335 7.934 -1.984 1.00 0.00 C ATOM 1949 C TYR B 125 16.485 7.322 -1.207 1.00 0.00 C ATOM 1950 O TYR B 125 16.462 7.274 0.002 1.00 0.00 O ATOM 1951 CB TYR B 125 15.471 9.449 -1.959 1.00 0.00 C ATOM 1952 CG TYR B 125 14.577 10.038 -3.005 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.997 10.087 -4.337 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.328 10.534 -2.645 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.151 10.635 -5.312 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.489 11.080 -3.607 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.895 11.131 -4.943 1.00 0.00 C ATOM 1958 OH TYR B 125 12.059 11.674 -5.899 1.00 0.00 O ATOM 0 H TYR B 125 14.133 7.317 -0.347 1.00 0.00 H new ATOM 0 HA TYR B 125 15.347 7.588 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.203 9.834 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.506 9.737 -2.143 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.968 9.705 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.010 10.494 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.467 10.674 -6.344 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.521 11.466 -3.322 1.00 0.00 H new ATOM 0 HH TYR B 125 11.126 11.534 -5.635 1.00 0.00 H new ATOM 1968 N CYS B 126 17.495 6.851 -1.869 1.00 0.00 N ATOM 1969 CA CYS B 126 18.621 6.260 -1.110 1.00 0.00 C ATOM 1970 C CYS B 126 19.164 7.317 -0.144 1.00 0.00 C ATOM 1971 O CYS B 126 18.722 8.448 -0.137 1.00 0.00 O ATOM 1972 CB CYS B 126 19.750 5.852 -2.056 1.00 0.00 C ATOM 1973 SG CYS B 126 19.227 4.466 -3.083 1.00 0.00 S ATOM 0 H CYS B 126 17.591 6.848 -2.884 1.00 0.00 H new ATOM 0 HA CYS B 126 18.265 5.380 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.030 6.696 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.634 5.576 -1.482 1.00 0.00 H new ATOM 1978 N GLU B 127 20.130 6.965 0.649 1.00 0.00 N ATOM 1979 CA GLU B 127 20.723 7.954 1.597 1.00 0.00 C ATOM 1980 C GLU B 127 21.384 9.082 0.805 1.00 0.00 C ATOM 1981 O GLU B 127 21.386 10.228 1.210 1.00 0.00 O ATOM 1982 CB GLU B 127 21.803 7.271 2.441 1.00 0.00 C ATOM 1983 CG GLU B 127 22.259 8.213 3.559 1.00 0.00 C ATOM 1984 CD GLU B 127 23.027 7.417 4.617 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.520 6.352 4.287 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.105 7.886 5.739 1.00 0.00 O ATOM 0 H GLU B 127 20.540 6.032 0.685 1.00 0.00 H new ATOM 0 HA GLU B 127 19.935 8.349 2.238 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.414 6.347 2.868 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.651 7.000 1.813 1.00 0.00 H new ATOM 0 HG2 GLU B 127 22.893 9.000 3.150 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.396 8.702 4.012 1.00 0.00 H new ATOM 1993 N THR B 128 21.975 8.755 -0.311 1.00 0.00 N ATOM 1994 CA THR B 128 22.677 9.783 -1.132 1.00 0.00 C ATOM 1995 C THR B 128 21.718 10.480 -2.091 1.00 0.00 C ATOM 1996 O THR B 128 21.758 11.681 -2.241 1.00 0.00 O ATOM 1997 CB THR B 128 23.798 9.116 -1.932 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.769 8.596 -1.036 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.450 10.143 -2.856 1.00 0.00 C ATOM 0 H THR B 128 22.002 7.810 -0.693 1.00 0.00 H new ATOM 0 HA THR B 128 23.089 10.533 -0.457 1.00 0.00 H new ATOM 0 HB THR B 128 23.385 8.305 -2.532 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.488 8.167 -1.546 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.248 9.666 -3.425 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.703 10.541 -3.543 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.865 10.956 -2.261 1.00 0.00 H new ATOM 2007 N HIS B 129 20.863 9.756 -2.747 1.00 0.00 N ATOM 2008 CA HIS B 129 19.937 10.417 -3.689 1.00 0.00 C ATOM 2009 C HIS B 129 18.994 11.290 -2.889 1.00 0.00 C ATOM 2010 O HIS B 129 18.753 12.431 -3.224 1.00 0.00 O ATOM 2011 CB HIS B 129 19.173 9.364 -4.488 1.00 0.00 C ATOM 2012 CG HIS B 129 20.168 8.569 -5.302 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.092 7.184 -5.481 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.288 8.965 -5.992 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.139 6.820 -6.247 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.898 7.864 -6.585 1.00 0.00 N ATOM 0 H HIS B 129 20.767 8.743 -2.671 1.00 0.00 H new ATOM 0 HA HIS B 129 20.485 11.036 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.620 8.706 -3.817 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.442 9.840 -5.142 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.643 9.982 -6.064 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.340 5.803 -6.551 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.744 7.857 -7.155 1.00 0.00 H new ATOM 2024 N TYR B 130 18.493 10.789 -1.803 1.00 0.00 N ATOM 2025 CA TYR B 130 17.609 11.611 -0.968 1.00 0.00 C ATOM 2026 C TYR B 130 18.329 12.910 -0.702 1.00 0.00 C ATOM 2027 O TYR B 130 17.848 13.990 -0.982 1.00 0.00 O ATOM 2028 CB TYR B 130 17.399 10.903 0.360 1.00 0.00 C ATOM 2029 CG TYR B 130 16.732 11.837 1.334 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.744 12.720 0.891 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.103 11.824 2.685 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.130 13.582 1.788 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.483 12.693 3.587 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.494 13.574 3.139 1.00 0.00 C ATOM 2035 OH TYR B 130 14.879 14.432 4.028 1.00 0.00 O ATOM 0 H TYR B 130 18.662 9.843 -1.462 1.00 0.00 H new ATOM 0 HA TYR B 130 16.650 11.779 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.785 10.014 0.216 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.356 10.568 0.760 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.458 12.732 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.867 11.143 3.029 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.367 14.263 1.442 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.767 12.684 4.629 1.00 0.00 H new ATOM 0 HH TYR B 130 15.474 15.187 4.219 1.00 0.00 H new ATOM 2045 N ASN B 131 19.491 12.790 -0.153 1.00 0.00 N ATOM 2046 CA ASN B 131 20.282 13.992 0.150 1.00 0.00 C ATOM 2047 C ASN B 131 20.648 14.691 -1.153 1.00 0.00 C ATOM 2048 O ASN B 131 20.517 15.893 -1.276 1.00 0.00 O ATOM 2049 CB ASN B 131 21.550 13.606 0.911 1.00 0.00 C ATOM 2050 CG ASN B 131 21.210 13.333 2.377 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.149 14.246 3.177 1.00 0.00 O ATOM 2052 ND2 ASN B 131 20.983 12.110 2.766 1.00 0.00 N ATOM 0 H ASN B 131 19.929 11.904 0.100 1.00 0.00 H new ATOM 0 HA ASN B 131 19.694 14.667 0.772 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.000 12.721 0.461 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.285 14.408 0.842 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.754 11.919 3.742 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.034 11.344 2.095 1.00 0.00 H new ATOM 2059 N GLN B 132 21.081 13.955 -2.143 1.00 0.00 N ATOM 2060 CA GLN B 132 21.414 14.620 -3.433 1.00 0.00 C ATOM 2061 C GLN B 132 20.183 15.403 -3.853 1.00 0.00 C ATOM 2062 O GLN B 132 20.257 16.473 -4.424 1.00 0.00 O ATOM 2063 CB GLN B 132 21.751 13.580 -4.508 1.00 0.00 C ATOM 2064 CG GLN B 132 22.548 14.243 -5.634 1.00 0.00 C ATOM 2065 CD GLN B 132 23.987 14.479 -5.172 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.289 14.360 -3.999 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.895 14.809 -6.048 1.00 0.00 N ATOM 0 H GLN B 132 21.216 12.944 -2.115 1.00 0.00 H new ATOM 0 HA GLN B 132 22.282 15.269 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.329 12.765 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.835 13.144 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.539 13.610 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.085 15.189 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.643 14.909 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.858 14.967 -5.750 1.00 0.00 H new ATOM 2076 N LEU B 133 19.040 14.864 -3.542 1.00 0.00 N ATOM 2077 CA LEU B 133 17.762 15.542 -3.875 1.00 0.00 C ATOM 2078 C LEU B 133 17.496 16.651 -2.856 1.00 0.00 C ATOM 2079 O LEU B 133 16.951 17.689 -3.180 1.00 0.00 O ATOM 2080 CB LEU B 133 16.619 14.518 -3.812 1.00 0.00 C ATOM 2081 CG LEU B 133 16.382 13.887 -5.195 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.218 12.617 -5.355 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.905 13.527 -5.330 1.00 0.00 C ATOM 0 H LEU B 133 18.937 13.969 -3.064 1.00 0.00 H new ATOM 0 HA LEU B 133 17.823 15.970 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.860 13.740 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.707 15.004 -3.467 1.00 0.00 H new ATOM 0 HG LEU B 133 16.673 14.602 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.038 12.184 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.275 12.862 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.938 11.898 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.728 13.079 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.631 12.817 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.300 14.428 -5.229 1.00 0.00 H new ATOM 2095 N PHE B 134 17.866 16.435 -1.625 1.00 0.00 N ATOM 2096 CA PHE B 134 17.622 17.470 -0.583 1.00 0.00 C ATOM 2097 C PHE B 134 18.569 17.258 0.598 1.00 0.00 C ATOM 2098 O PHE B 134 19.589 17.906 0.721 1.00 0.00 O ATOM 2099 CB PHE B 134 16.173 17.353 -0.094 1.00 0.00 C ATOM 2100 CG PHE B 134 15.270 18.167 -0.988 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.105 19.540 -0.759 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.605 17.550 -2.051 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.270 20.293 -1.593 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.769 18.303 -2.887 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.602 19.674 -2.657 1.00 0.00 C ATOM 0 H PHE B 134 18.327 15.587 -1.296 1.00 0.00 H new ATOM 0 HA PHE B 134 17.797 18.458 -1.008 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.860 16.309 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.096 17.705 0.935 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.622 20.017 0.061 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.735 16.493 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.141 21.351 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.254 17.826 -3.708 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.958 20.255 -3.301 1.00 0.00 H new ATOM 2115 N GLY B 135 18.226 16.358 1.473 1.00 0.00 N ATOM 2116 CA GLY B 135 19.088 16.096 2.661 1.00 0.00 C ATOM 2117 C GLY B 135 18.704 17.049 3.794 1.00 0.00 C ATOM 2118 O GLY B 135 19.526 17.442 4.595 1.00 0.00 O ATOM 0 H GLY B 135 17.382 15.788 1.418 1.00 0.00 H new ATOM 0 HA2 GLY B 135 18.971 15.062 2.987 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.137 16.231 2.398 1.00 0.00 H new ATOM 2122 N ASP B 136 17.457 17.423 3.863 1.00 0.00 N ATOM 2123 CA ASP B 136 17.016 18.351 4.942 1.00 0.00 C ATOM 2124 C ASP B 136 17.973 19.542 5.016 1.00 0.00 C ATOM 2125 O ASP B 136 18.478 19.880 6.068 1.00 0.00 O ATOM 2126 CB ASP B 136 17.012 17.612 6.281 1.00 0.00 C ATOM 2127 CG ASP B 136 15.832 16.641 6.328 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.238 16.413 5.287 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.543 16.143 7.403 1.00 0.00 O ATOM 0 H ASP B 136 16.724 17.126 3.219 1.00 0.00 H new ATOM 0 HA ASP B 136 16.010 18.709 4.723 1.00 0.00 H new ATOM 0 HB2 ASP B 136 17.948 17.069 6.411 1.00 0.00 H new ATOM 0 HB3 ASP B 136 16.941 18.326 7.102 1.00 0.00 H new ATOM 2134 N VAL B 137 18.229 20.181 3.907 1.00 0.00 N ATOM 2135 CA VAL B 137 19.154 21.349 3.916 1.00 0.00 C ATOM 2136 C VAL B 137 18.947 22.174 2.643 1.00 0.00 C ATOM 2137 O VAL B 137 19.374 21.965 2.626 1.00 0.00 O ATOM 2138 CB VAL B 137 20.599 20.853 3.973 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.927 20.081 2.692 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.544 22.051 4.098 1.00 0.00 C ATOM 0 H VAL B 137 17.837 19.944 2.995 1.00 0.00 H new ATOM 0 HA VAL B 137 18.948 21.970 4.788 1.00 0.00 H new ATOM 0 HB VAL B 137 20.723 20.197 4.835 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.957 19.728 2.734 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.255 19.228 2.599 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.803 20.737 1.830 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.575 21.699 4.139 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.418 22.705 3.235 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.313 22.603 5.009 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.847 -5.667 -5.060 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.697 5.936 -4.773 1.00 0.00 ZN