USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.2! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.94 K(o=-27,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -157:sc= -1.2 (180deg=-3.28!) USER MOD Set 2.2: A 46 CYS SG : rot 29:sc= 0.66 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.295 (180deg=-0.475) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -0.608 K(o=-0.61,f=-1.4!) USER MOD Single : A 11 THR OG1 : rot -134:sc= 1.1! 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 169:sc= -2.63 USER MOD Single : A 19 THR OG1 : rot -170:sc= -0.225 USER MOD Single : A 24 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc=-0.00645 (180deg=-0.159) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00468 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -16.2! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0916 K(o=-0.092,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 1.06 (180deg=-1.01) USER MOD Single : A 59 ASN : amide:sc= 0.101 K(o=0.1,f=-10!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 100:sc= -3.38! USER MOD Single : A 71 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-1.9!) 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= -4.11! K(o=-4.1!,f=-0.39) USER MOD Single : B 94 MET CE :methyl -161:sc= -1.19 (180deg=-3.24!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.114) USER MOD Single : B 97 GLN : amide:sc= -6.94! K(o=-6.9!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -149:sc= -1.09 (180deg=-2.73!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.209 (180deg=-1.02) USER MOD Single : B 115 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.64) USER MOD Single : B 117 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : B 118 TYR OH : rot 6:sc= -0.676 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00619 (180deg=-0.203) 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 -108:sc= 0.825 USER MOD Single : B 131 ASN : amide:sc= -0.601 K(o=-0.6,f=-5.6!) USER MOD Single : B 132 GLN : amide:sc= -0.707 K(o=-0.71,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.812 -9.880 -28.445 1.00 0.00 N ATOM 2 CA GLN A 1 -9.557 -9.440 -29.118 1.00 0.00 C ATOM 3 C GLN A 1 -8.673 -8.702 -28.114 1.00 0.00 C ATOM 4 O GLN A 1 -7.653 -8.141 -28.463 1.00 0.00 O ATOM 5 CB GLN A 1 -9.901 -8.505 -30.279 1.00 0.00 C ATOM 6 CG GLN A 1 -10.829 -9.226 -31.258 1.00 0.00 C ATOM 7 CD GLN A 1 -10.928 -8.420 -32.555 1.00 0.00 C ATOM 8 OE1 GLN A 1 -10.398 -8.816 -33.572 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.591 -7.296 -32.561 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.368 -10.469 -29.098 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.575 -10.432 -27.596 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.370 -9.046 -28.171 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.025 -10.311 -29.499 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.383 -7.603 -29.902 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -8.990 -8.191 -30.789 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.449 -10.226 -31.467 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.818 -9.347 -30.816 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.037 -6.962 -31.706 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -11.663 -6.751 -33.420 1.00 0.00 H new ATOM 20 N GLY A 2 -9.054 -8.694 -26.864 1.00 0.00 N ATOM 21 CA GLY A 2 -8.234 -7.992 -25.840 1.00 0.00 C ATOM 22 C GLY A 2 -8.726 -8.372 -24.442 1.00 0.00 C ATOM 23 O GLY A 2 -9.379 -7.597 -23.771 1.00 0.00 O ATOM 0 H GLY A 2 -9.898 -9.144 -26.510 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.184 -8.261 -25.953 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.303 -6.913 -25.981 1.00 0.00 H new ATOM 27 N SER A 3 -8.416 -9.559 -23.995 1.00 0.00 N ATOM 28 CA SER A 3 -8.867 -9.984 -22.642 1.00 0.00 C ATOM 29 C SER A 3 -8.034 -11.179 -22.177 1.00 0.00 C ATOM 30 O SER A 3 -8.523 -12.066 -21.505 1.00 0.00 O ATOM 31 CB SER A 3 -10.343 -10.384 -22.697 1.00 0.00 C ATOM 32 OG SER A 3 -10.494 -11.502 -23.560 1.00 0.00 O ATOM 0 H SER A 3 -7.870 -10.251 -24.509 1.00 0.00 H new ATOM 0 HA SER A 3 -8.740 -9.158 -21.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.703 -10.630 -21.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.945 -9.549 -23.056 1.00 0.00 H new ATOM 0 HG SER A 3 -11.438 -11.762 -23.596 1.00 0.00 H new ATOM 38 N ARG A 4 -6.777 -11.208 -22.524 1.00 0.00 N ATOM 39 CA ARG A 4 -5.913 -12.344 -22.096 1.00 0.00 C ATOM 40 C ARG A 4 -5.616 -12.213 -20.602 1.00 0.00 C ATOM 41 O ARG A 4 -5.539 -11.125 -20.069 1.00 0.00 O ATOM 42 CB ARG A 4 -4.600 -12.314 -22.884 1.00 0.00 C ATOM 43 CG ARG A 4 -3.723 -13.499 -22.468 1.00 0.00 C ATOM 44 CD ARG A 4 -2.452 -13.533 -23.322 1.00 0.00 C ATOM 45 NE ARG A 4 -2.796 -13.371 -24.775 1.00 0.00 N ATOM 46 CZ ARG A 4 -3.623 -14.182 -25.380 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.045 -15.266 -24.787 1.00 0.00 N ATOM 48 NH2 ARG A 4 -3.987 -13.935 -26.609 1.00 0.00 N ATOM 0 H ARG A 4 -6.311 -10.495 -23.085 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.426 -13.287 -22.287 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.805 -12.358 -23.954 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.074 -11.377 -22.699 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.461 -13.416 -21.413 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.276 -14.431 -22.586 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.775 -12.737 -23.011 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.928 -14.476 -23.168 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.373 -12.608 -25.303 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.729 -15.487 -23.843 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.690 -15.892 -25.268 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.626 -13.112 -27.092 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.632 -14.565 -27.086 1.00 0.00 H new ATOM 62 N VAL A 5 -5.449 -13.313 -19.918 1.00 0.00 N ATOM 63 CA VAL A 5 -5.158 -13.238 -18.460 1.00 0.00 C ATOM 64 C VAL A 5 -3.786 -12.593 -18.252 1.00 0.00 C ATOM 65 O VAL A 5 -2.769 -13.259 -18.257 1.00 0.00 O ATOM 66 CB VAL A 5 -5.158 -14.650 -17.869 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.004 -14.568 -16.350 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.479 -15.342 -18.209 1.00 0.00 C ATOM 0 H VAL A 5 -5.501 -14.255 -20.305 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.920 -12.638 -17.963 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.328 -15.219 -18.288 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.004 -15.574 -15.929 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.064 -14.073 -16.106 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.834 -13.999 -15.930 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.481 -16.348 -17.789 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.307 -14.771 -17.789 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.591 -15.400 -19.292 1.00 0.00 H new ATOM 78 N LEU A 6 -3.759 -11.298 -18.056 1.00 0.00 N ATOM 79 CA LEU A 6 -2.469 -10.573 -17.828 1.00 0.00 C ATOM 80 C LEU A 6 -2.549 -9.879 -16.474 1.00 0.00 C ATOM 81 O LEU A 6 -1.711 -10.059 -15.612 1.00 0.00 O ATOM 82 CB LEU A 6 -2.263 -9.524 -18.926 1.00 0.00 C ATOM 83 CG LEU A 6 -1.951 -10.213 -20.270 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.284 -9.264 -21.425 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.461 -10.582 -20.349 1.00 0.00 C ATOM 0 H LEU A 6 -4.588 -10.703 -18.044 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.635 -11.274 -17.849 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.157 -8.909 -19.024 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.445 -8.857 -18.653 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.553 -11.119 -20.342 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.063 -9.753 -22.373 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.342 -9.004 -21.389 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.685 -8.358 -21.336 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.256 -11.067 -21.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.143 -9.678 -20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.211 -11.262 -19.535 1.00 0.00 H new ATOM 97 N HIS A 7 -3.571 -9.087 -16.284 1.00 0.00 N ATOM 98 CA HIS A 7 -3.746 -8.368 -14.994 1.00 0.00 C ATOM 99 C HIS A 7 -5.238 -8.264 -14.685 1.00 0.00 C ATOM 100 O HIS A 7 -5.828 -7.210 -14.788 1.00 0.00 O ATOM 101 CB HIS A 7 -3.146 -6.965 -15.103 1.00 0.00 C ATOM 102 CG HIS A 7 -1.695 -7.069 -15.486 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.725 -7.497 -14.593 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.033 -6.801 -16.658 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.456 -7.477 -15.237 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.326 -7.061 -16.501 1.00 0.00 N ATOM 0 H HIS A 7 -4.298 -8.908 -16.977 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.240 -8.912 -14.196 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.689 -6.382 -15.847 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.246 -6.440 -14.153 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.879 -7.776 -13.624 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.496 -6.442 -17.565 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.396 -7.762 -14.787 1.00 0.00 H new ATOM 114 N VAL A 8 -5.853 -9.345 -14.288 1.00 0.00 N ATOM 115 CA VAL A 8 -7.302 -9.291 -13.957 1.00 0.00 C ATOM 116 C VAL A 8 -7.432 -8.475 -12.678 1.00 0.00 C ATOM 117 O VAL A 8 -6.470 -8.345 -11.949 1.00 0.00 O ATOM 118 CB VAL A 8 -7.828 -10.711 -13.735 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.261 -10.650 -13.214 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.804 -11.479 -15.061 1.00 0.00 C ATOM 0 H VAL A 8 -5.415 -10.260 -14.179 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.879 -8.838 -14.763 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.196 -11.219 -13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.634 -11.662 -13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.282 -10.104 -12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.892 -10.140 -13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.179 -12.490 -14.903 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.435 -10.968 -15.789 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.782 -11.525 -15.436 1.00 0.00 H new ATOM 130 N VAL A 9 -8.579 -7.896 -12.380 1.00 0.00 N ATOM 131 CA VAL A 9 -8.659 -7.080 -11.127 1.00 0.00 C ATOM 132 C VAL A 9 -10.032 -7.192 -10.468 1.00 0.00 C ATOM 133 O VAL A 9 -11.061 -7.030 -11.097 1.00 0.00 O ATOM 134 CB VAL A 9 -8.352 -5.602 -11.453 1.00 0.00 C ATOM 135 CG1 VAL A 9 -7.125 -5.508 -12.365 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.549 -4.976 -12.172 1.00 0.00 C ATOM 0 H VAL A 9 -9.435 -7.952 -12.933 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.921 -7.466 -10.424 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.156 -5.071 -10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.917 -4.462 -12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.264 -5.950 -11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.319 -6.046 -13.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.331 -3.933 -12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.742 -5.518 -13.098 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.428 -5.030 -11.530 1.00 0.00 H new ATOM 146 N GLN A 10 -10.039 -7.445 -9.186 1.00 0.00 N ATOM 147 CA GLN A 10 -11.317 -7.552 -8.426 1.00 0.00 C ATOM 148 C GLN A 10 -11.570 -6.237 -7.685 1.00 0.00 C ATOM 149 O GLN A 10 -10.715 -5.728 -6.989 1.00 0.00 O ATOM 150 CB GLN A 10 -11.217 -8.694 -7.412 1.00 0.00 C ATOM 151 CG GLN A 10 -11.112 -10.031 -8.148 1.00 0.00 C ATOM 152 CD GLN A 10 -10.953 -11.162 -7.131 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.998 -10.933 -5.938 1.00 0.00 O ATOM 154 NE2 GLN A 10 -10.768 -12.384 -7.551 1.00 0.00 N ATOM 0 H GLN A 10 -9.198 -7.584 -8.625 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.137 -7.752 -9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.346 -8.550 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.092 -8.694 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.003 -10.195 -8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.261 -10.018 -8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.730 -12.579 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.662 -13.144 -6.879 1.00 0.00 H new ATOM 163 N THR A 11 -12.740 -5.686 -7.835 1.00 0.00 N ATOM 164 CA THR A 11 -13.070 -4.402 -7.151 1.00 0.00 C ATOM 165 C THR A 11 -13.039 -4.578 -5.646 1.00 0.00 C ATOM 166 O THR A 11 -13.247 -5.646 -5.110 1.00 0.00 O ATOM 167 CB THR A 11 -14.463 -3.965 -7.562 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.531 -3.889 -8.977 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.809 -2.599 -6.949 1.00 0.00 C ATOM 0 H THR A 11 -13.491 -6.072 -8.407 1.00 0.00 H new ATOM 0 HA THR A 11 -12.333 -3.652 -7.438 1.00 0.00 H new ATOM 0 HB THR A 11 -15.184 -4.696 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.962 -3.049 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.812 -2.306 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.769 -2.667 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.091 -1.854 -7.292 1.00 0.00 H new ATOM 177 N LEU A 12 -12.792 -3.500 -4.975 1.00 5.40 N ATOM 178 CA LEU A 12 -12.744 -3.490 -3.486 1.00 9.02 C ATOM 179 C LEU A 12 -13.909 -2.627 -3.001 1.00 10.54 C ATOM 180 O LEU A 12 -14.298 -2.684 -1.850 1.00 10.21 O ATOM 181 CB LEU A 12 -11.418 -2.852 -2.998 1.00 7.97 C ATOM 182 CG LEU A 12 -10.122 -3.689 -3.318 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.881 -2.858 -2.986 1.00 6.40 C ATOM 184 CD2 LEU A 12 -10.013 -5.005 -2.528 1.00 6.66 C ATOM 0 H LEU A 12 -12.615 -2.593 -5.406 1.00 5.40 H new ATOM 0 HA LEU A 12 -12.808 -4.507 -3.100 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -11.317 -1.866 -3.452 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -11.479 -2.702 -1.920 1.00 7.97 H new ATOM 0 HG LEU A 12 -10.189 -3.938 -4.377 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.985 -3.438 -3.208 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.882 -1.948 -3.585 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.891 -2.596 -1.928 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -9.094 -5.521 -2.806 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -9.999 -4.788 -1.460 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.869 -5.639 -2.758 1.00 6.66 H new ATOM 196 N TYR A 13 -14.467 -1.818 -3.869 1.00 12.19 N ATOM 197 CA TYR A 13 -15.611 -0.944 -3.436 1.00 12.32 C ATOM 198 C TYR A 13 -16.577 -0.680 -4.619 1.00 14.17 C ATOM 199 O TYR A 13 -16.125 -0.543 -5.739 1.00 14.79 O ATOM 200 CB TYR A 13 -15.054 0.394 -2.942 1.00 14.83 C ATOM 201 CG TYR A 13 -13.839 0.150 -2.078 1.00 15.75 C ATOM 202 CD1 TYR A 13 -13.995 -0.270 -0.752 1.00 18.39 C ATOM 203 CD2 TYR A 13 -12.554 0.344 -2.602 1.00 10.85 C ATOM 204 CE1 TYR A 13 -12.870 -0.494 0.050 1.00 12.56 C ATOM 205 CE2 TYR A 13 -11.429 0.120 -1.799 1.00 10.94 C ATOM 206 CZ TYR A 13 -11.587 -0.299 -0.474 1.00 12.35 C ATOM 207 OH TYR A 13 -10.478 -0.521 0.317 1.00 12.20 O ATOM 0 H TYR A 13 -14.188 -1.723 -4.845 1.00 12.19 H new ATOM 0 HA TYR A 13 -16.159 -1.449 -2.640 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.788 1.024 -3.791 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.815 0.929 -2.374 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.985 -0.421 -0.347 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -12.431 0.666 -3.625 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -12.992 -0.817 1.073 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -10.439 0.271 -2.203 1.00 10.94 H new ATOM 0 HH TYR A 13 -9.666 -0.340 -0.201 1.00 12.20 H new ATOM 217 N PRO A 14 -17.882 -0.583 -4.354 1.00 0.00 N ATOM 218 CA PRO A 14 -18.870 -0.297 -5.424 1.00 0.00 C ATOM 219 C PRO A 14 -18.741 1.177 -5.843 1.00 0.00 C ATOM 220 O PRO A 14 -19.486 2.026 -5.392 1.00 0.00 O ATOM 221 CB PRO A 14 -20.241 -0.552 -4.765 1.00 0.00 C ATOM 222 CG PRO A 14 -20.006 -0.564 -3.230 1.00 0.00 C ATOM 223 CD PRO A 14 -18.488 -0.751 -3.005 1.00 0.00 C ATOM 0 HA PRO A 14 -18.728 -0.908 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.953 0.226 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.660 -1.501 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -20.350 0.367 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.568 -1.372 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.098 -0.015 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.267 -1.735 -2.592 1.00 0.00 H new ATOM 231 N PHE A 15 -17.799 1.492 -6.681 1.00 0.00 N ATOM 232 CA PHE A 15 -17.622 2.914 -7.100 1.00 0.00 C ATOM 233 C PHE A 15 -18.750 3.354 -8.026 1.00 0.00 C ATOM 234 O PHE A 15 -19.543 2.557 -8.488 1.00 0.00 O ATOM 235 CB PHE A 15 -16.296 3.074 -7.840 1.00 0.00 C ATOM 236 CG PHE A 15 -15.979 4.547 -8.057 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.892 5.432 -6.968 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.765 5.032 -9.359 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.594 6.783 -7.182 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.467 6.383 -9.568 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.381 7.258 -8.481 1.00 0.00 C ATOM 0 H PHE A 15 -17.142 0.831 -7.096 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.633 3.532 -6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.495 2.604 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.345 2.561 -8.801 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.055 5.069 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.831 4.359 -10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.528 7.460 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.303 6.750 -10.570 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.150 8.300 -8.644 1.00 0.00 H new ATOM 251 N SER A 16 -18.814 4.630 -8.303 1.00 0.00 N ATOM 252 CA SER A 16 -19.875 5.163 -9.209 1.00 0.00 C ATOM 253 C SER A 16 -19.263 6.191 -10.158 1.00 0.00 C ATOM 254 O SER A 16 -18.862 7.267 -9.764 1.00 0.00 O ATOM 255 CB SER A 16 -20.977 5.824 -8.379 1.00 0.00 C ATOM 256 OG SER A 16 -21.686 4.822 -7.660 1.00 0.00 O ATOM 0 H SER A 16 -18.171 5.332 -7.937 1.00 0.00 H new ATOM 0 HA SER A 16 -20.303 4.344 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.544 6.547 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.658 6.373 -9.029 1.00 0.00 H new ATOM 0 HG SER A 16 -22.392 5.241 -7.125 1.00 0.00 H new ATOM 262 N SER A 17 -19.192 5.849 -11.414 1.00 0.00 N ATOM 263 CA SER A 17 -18.611 6.766 -12.434 1.00 0.00 C ATOM 264 C SER A 17 -19.541 6.780 -13.649 1.00 0.00 C ATOM 265 O SER A 17 -19.665 5.797 -14.350 1.00 0.00 O ATOM 266 CB SER A 17 -17.216 6.248 -12.807 1.00 0.00 C ATOM 267 OG SER A 17 -16.360 7.351 -13.056 1.00 0.00 O ATOM 0 H SER A 17 -19.518 4.956 -11.783 1.00 0.00 H new ATOM 0 HA SER A 17 -18.516 7.783 -12.054 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.814 5.636 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.275 5.612 -13.690 1.00 0.00 H new ATOM 0 HG SER A 17 -15.433 7.038 -13.120 1.00 0.00 H new ATOM 273 N VAL A 18 -20.194 7.889 -13.904 1.00 0.00 N ATOM 274 CA VAL A 18 -21.119 7.968 -15.061 1.00 0.00 C ATOM 275 C VAL A 18 -20.802 9.216 -15.870 1.00 0.00 C ATOM 276 O VAL A 18 -21.295 10.301 -15.631 1.00 0.00 O ATOM 277 CB VAL A 18 -22.565 8.040 -14.547 1.00 0.00 C ATOM 278 CG1 VAL A 18 -22.861 6.818 -13.671 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.749 9.313 -13.714 1.00 0.00 C ATOM 0 H VAL A 18 -20.120 8.744 -13.352 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.001 7.087 -15.691 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.248 8.055 -15.396 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -23.887 6.871 -13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.731 5.909 -14.258 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.176 6.804 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.775 9.364 -13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.063 9.296 -12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.540 10.186 -14.332 1.00 0.00 H new ATOM 289 N THR A 19 -20.001 9.020 -16.852 1.00 38.32 N ATOM 290 CA THR A 19 -19.608 10.116 -17.787 1.00 37.06 C ATOM 291 C THR A 19 -19.465 9.508 -19.174 1.00 36.60 C ATOM 292 O THR A 19 -20.073 8.507 -19.497 1.00 36.42 O ATOM 293 CB THR A 19 -18.261 10.746 -17.364 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.238 10.900 -15.952 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.091 12.122 -18.022 1.00 37.86 C ATOM 0 H THR A 19 -19.578 8.117 -17.066 1.00 38.32 H new ATOM 0 HA THR A 19 -20.366 10.900 -17.774 1.00 37.06 H new ATOM 0 HB THR A 19 -17.448 10.093 -17.682 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.461 11.439 -15.694 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.139 12.556 -17.717 1.00 37.86 H new ATOM 0 HG22 THR A 19 -18.109 12.011 -19.106 1.00 37.86 H new ATOM 0 HG23 THR A 19 -18.905 12.777 -17.711 1.00 37.86 H new ATOM 303 N GLU A 20 -18.639 10.088 -19.971 1.00 36.33 N ATOM 304 CA GLU A 20 -18.395 9.577 -21.296 1.00 36.39 C ATOM 305 C GLU A 20 -17.363 8.446 -21.156 1.00 30.94 C ATOM 306 O GLU A 20 -17.566 7.344 -21.627 1.00 31.73 O ATOM 307 CB GLU A 20 -17.904 10.780 -22.112 1.00 41.00 C ATOM 308 CG GLU A 20 -17.632 10.337 -23.505 1.00 49.07 C ATOM 309 CD GLU A 20 -18.942 10.006 -24.222 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.988 10.264 -23.652 1.00 54.38 O ATOM 311 OE2 GLU A 20 -18.874 9.499 -25.330 1.00 55.13 O ATOM 0 H GLU A 20 -18.109 10.927 -19.735 1.00 36.33 H new ATOM 0 HA GLU A 20 -19.262 9.152 -21.801 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.655 11.570 -22.107 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -17.001 11.195 -21.665 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -17.101 11.120 -24.046 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -16.983 9.461 -23.495 1.00 49.07 H new ATOM 318 N GLU A 21 -16.242 8.728 -20.542 1.00 0.00 N ATOM 319 CA GLU A 21 -15.170 7.732 -20.390 1.00 0.00 C ATOM 320 C GLU A 21 -15.050 7.278 -18.919 1.00 0.00 C ATOM 321 O GLU A 21 -13.982 6.919 -18.465 1.00 0.00 O ATOM 322 CB GLU A 21 -13.897 8.449 -20.843 1.00 0.00 C ATOM 323 CG GLU A 21 -13.987 8.732 -22.332 1.00 0.00 C ATOM 324 CD GLU A 21 -12.760 9.525 -22.791 1.00 0.00 C ATOM 325 OE1 GLU A 21 -11.880 9.746 -21.977 1.00 0.00 O ATOM 326 OE2 GLU A 21 -12.720 9.897 -23.953 1.00 0.00 O ATOM 0 H GLU A 21 -16.032 9.638 -20.132 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.362 6.832 -20.974 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.774 9.380 -20.290 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.023 7.834 -20.630 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.052 7.795 -22.885 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.895 9.294 -22.549 1.00 0.00 H new ATOM 333 N GLU A 22 -16.126 7.300 -18.169 1.00 0.00 N ATOM 334 CA GLU A 22 -16.058 6.880 -16.726 1.00 0.00 C ATOM 335 C GLU A 22 -16.582 5.436 -16.577 1.00 0.00 C ATOM 336 O GLU A 22 -17.396 4.978 -17.354 1.00 0.00 O ATOM 337 CB GLU A 22 -16.910 7.870 -15.898 1.00 0.00 C ATOM 338 CG GLU A 22 -16.016 8.951 -15.253 1.00 0.00 C ATOM 339 CD GLU A 22 -15.285 9.732 -16.345 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.420 9.362 -17.500 1.00 0.00 O ATOM 341 OE2 GLU A 22 -14.602 10.684 -16.010 1.00 0.00 O ATOM 0 H GLU A 22 -17.050 7.590 -18.490 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.029 6.898 -16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.655 8.342 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.453 7.330 -15.123 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.623 9.628 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.295 8.487 -14.580 1.00 0.00 H new ATOM 348 N LEU A 23 -16.087 4.708 -15.589 1.00 11.68 N ATOM 349 CA LEU A 23 -16.512 3.274 -15.387 1.00 7.71 C ATOM 350 C LEU A 23 -17.340 3.127 -14.101 1.00 8.71 C ATOM 351 O LEU A 23 -16.816 3.226 -13.010 1.00 10.83 O ATOM 352 CB LEU A 23 -15.241 2.398 -15.248 1.00 7.16 C ATOM 353 CG LEU A 23 -15.515 0.886 -15.482 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.890 0.458 -14.960 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.426 0.551 -16.966 1.00 2.00 C ATOM 0 H LEU A 23 -15.404 5.049 -14.912 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.117 2.963 -16.239 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.491 2.740 -15.961 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.819 2.535 -14.252 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.752 0.341 -14.927 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.035 -0.606 -15.146 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.948 0.650 -13.889 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.667 1.025 -15.473 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.621 -0.512 -17.111 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.165 1.134 -17.516 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.428 0.791 -17.334 1.00 2.00 H new ATOM 367 N ASN A 24 -18.611 2.844 -14.213 1.00 0.00 N ATOM 368 CA ASN A 24 -19.443 2.632 -12.985 1.00 0.00 C ATOM 369 C ASN A 24 -19.476 1.125 -12.741 1.00 0.00 C ATOM 370 O ASN A 24 -19.773 0.366 -13.641 1.00 0.00 O ATOM 371 CB ASN A 24 -20.873 3.147 -13.220 1.00 0.00 C ATOM 372 CG ASN A 24 -21.811 2.607 -12.135 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.950 2.282 -12.407 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.378 2.494 -10.911 1.00 0.00 N ATOM 0 H ASN A 24 -19.111 2.750 -15.097 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.027 3.168 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.882 4.237 -13.210 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.224 2.834 -14.204 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.995 2.133 -10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.422 2.766 -10.681 1.00 0.00 H new ATOM 381 N PHE A 25 -19.149 0.658 -11.561 1.00 6.72 N ATOM 382 CA PHE A 25 -19.154 -0.814 -11.358 1.00 6.82 C ATOM 383 C PHE A 25 -19.414 -1.160 -9.903 1.00 7.56 C ATOM 384 O PHE A 25 -18.951 -0.498 -8.993 1.00 6.07 O ATOM 385 CB PHE A 25 -17.815 -1.408 -11.823 1.00 9.59 C ATOM 386 CG PHE A 25 -16.614 -0.769 -11.119 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.348 0.612 -11.221 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.730 -1.578 -10.397 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.219 1.157 -10.600 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.602 -1.027 -9.782 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.348 0.339 -9.880 1.00 12.44 C ATOM 0 H PHE A 25 -18.886 1.220 -10.751 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.959 -1.245 -11.953 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.813 -2.482 -11.636 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.715 -1.272 -12.900 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.017 1.250 -11.779 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.921 -2.638 -10.314 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.021 2.216 -10.678 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.926 -1.662 -9.229 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.479 0.764 -9.400 1.00 12.44 H new ATOM 401 N GLU A 26 -20.162 -2.206 -9.685 1.00 0.00 N ATOM 402 CA GLU A 26 -20.472 -2.630 -8.298 1.00 0.00 C ATOM 403 C GLU A 26 -19.321 -3.487 -7.794 1.00 0.00 C ATOM 404 O GLU A 26 -18.588 -4.072 -8.565 1.00 0.00 O ATOM 405 CB GLU A 26 -21.790 -3.424 -8.276 1.00 0.00 C ATOM 406 CG GLU A 26 -21.588 -4.831 -8.861 1.00 0.00 C ATOM 407 CD GLU A 26 -20.868 -4.734 -10.207 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.269 -3.912 -11.015 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.925 -5.482 -10.408 1.00 0.00 O ATOM 0 H GLU A 26 -20.573 -2.787 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.592 -1.760 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.157 -3.500 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.550 -2.892 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.007 -5.442 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.552 -5.324 -8.988 1.00 0.00 H new ATOM 416 N LYS A 27 -19.146 -3.560 -6.515 1.00 8.66 N ATOM 417 CA LYS A 27 -18.036 -4.370 -5.981 1.00 8.68 C ATOM 418 C LYS A 27 -18.142 -5.799 -6.514 1.00 6.65 C ATOM 419 O LYS A 27 -19.221 -6.307 -6.748 1.00 10.38 O ATOM 420 CB LYS A 27 -18.109 -4.337 -4.456 1.00 12.96 C ATOM 421 CG LYS A 27 -19.277 -5.206 -3.939 1.00 12.48 C ATOM 422 CD LYS A 27 -18.767 -6.594 -3.505 1.00 20.52 C ATOM 423 CE LYS A 27 -18.224 -6.527 -2.073 1.00 28.24 C ATOM 424 NZ LYS A 27 -19.362 -6.481 -1.114 1.00 29.03 N ATOM 0 H LYS A 27 -19.724 -3.093 -5.816 1.00 8.66 H new ATOM 0 HA LYS A 27 -17.074 -3.968 -6.299 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -17.170 -4.696 -4.036 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -18.238 -3.309 -4.117 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -19.762 -4.711 -3.098 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -20.029 -5.316 -4.720 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -19.576 -7.322 -3.563 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.985 -6.932 -4.184 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -17.597 -7.395 -1.869 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -17.596 -5.645 -1.951 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -19.020 -6.707 -0.158 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -19.780 -5.529 -1.116 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -20.083 -7.176 -1.397 1.00 29.03 H new ATOM 438 N GLY A 28 -17.025 -6.443 -6.727 1.00 5.06 N ATOM 439 CA GLY A 28 -17.057 -7.833 -7.268 1.00 4.39 C ATOM 440 C GLY A 28 -17.158 -7.780 -8.794 1.00 6.18 C ATOM 441 O GLY A 28 -17.926 -8.504 -9.395 1.00 5.61 O ATOM 0 H GLY A 28 -16.093 -6.067 -6.550 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -16.158 -8.372 -6.970 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.906 -8.377 -6.855 1.00 4.39 H new ATOM 445 N GLU A 29 -16.391 -6.921 -9.423 1.00 7.06 N ATOM 446 CA GLU A 29 -16.435 -6.800 -10.919 1.00 6.19 C ATOM 447 C GLU A 29 -15.054 -7.128 -11.497 1.00 6.67 C ATOM 448 O GLU A 29 -14.098 -6.408 -11.290 1.00 8.12 O ATOM 449 CB GLU A 29 -16.793 -5.348 -11.294 1.00 6.64 C ATOM 450 CG GLU A 29 -17.263 -5.194 -12.774 1.00 9.52 C ATOM 451 CD GLU A 29 -16.932 -6.428 -13.624 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.710 -7.368 -13.603 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.910 -6.407 -14.286 1.00 8.99 O ATOM 0 H GLU A 29 -15.732 -6.294 -8.963 1.00 7.06 H new ATOM 0 HA GLU A 29 -17.179 -7.489 -11.319 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.581 -4.992 -10.630 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.924 -4.712 -11.127 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.339 -5.020 -12.795 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.790 -4.316 -13.213 1.00 9.52 H new ATOM 460 N THR A 30 -14.948 -8.186 -12.242 1.00 0.00 N ATOM 461 CA THR A 30 -13.639 -8.532 -12.861 1.00 0.00 C ATOM 462 C THR A 30 -13.389 -7.544 -13.983 1.00 0.00 C ATOM 463 O THR A 30 -14.044 -7.610 -15.003 1.00 0.00 O ATOM 464 CB THR A 30 -13.739 -9.927 -13.481 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.419 -10.797 -12.588 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.338 -10.464 -13.761 1.00 0.00 C ATOM 0 H THR A 30 -15.711 -8.830 -12.451 1.00 0.00 H new ATOM 0 HA THR A 30 -12.843 -8.504 -12.116 1.00 0.00 H new ATOM 0 HB THR A 30 -14.294 -9.869 -14.417 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.484 -11.690 -12.987 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.411 -11.458 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.824 -9.796 -14.452 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.777 -10.522 -12.828 1.00 0.00 H new ATOM 474 N MET A 31 -12.467 -6.634 -13.833 1.00 0.00 N ATOM 475 CA MET A 31 -12.227 -5.665 -14.939 1.00 0.00 C ATOM 476 C MET A 31 -10.945 -6.001 -15.670 1.00 0.00 C ATOM 477 O MET A 31 -9.911 -6.289 -15.101 1.00 0.00 O ATOM 478 CB MET A 31 -12.230 -4.228 -14.400 1.00 0.00 C ATOM 479 CG MET A 31 -13.687 -3.820 -14.037 1.00 0.00 C ATOM 480 SD MET A 31 -13.769 -3.290 -12.305 1.00 0.00 S ATOM 481 CE MET A 31 -13.088 -1.631 -12.556 1.00 0.00 C ATOM 0 H MET A 31 -11.878 -6.519 -13.008 1.00 0.00 H new ATOM 0 HA MET A 31 -13.038 -5.741 -15.663 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.590 -4.155 -13.521 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.824 -3.546 -15.147 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.021 -3.013 -14.689 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.361 -4.661 -14.201 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.666 -1.265 -11.620 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.307 -1.669 -13.315 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.880 -0.958 -12.884 1.00 0.00 H new ATOM 491 N GLU A 32 -11.059 -5.983 -16.956 1.00 0.00 N ATOM 492 CA GLU A 32 -9.942 -6.309 -17.859 1.00 0.00 C ATOM 493 C GLU A 32 -9.211 -5.002 -18.173 1.00 0.00 C ATOM 494 O GLU A 32 -9.683 -4.176 -18.927 1.00 0.00 O ATOM 495 CB GLU A 32 -10.545 -6.957 -19.134 1.00 0.00 C ATOM 496 CG GLU A 32 -12.089 -6.795 -19.135 1.00 0.00 C ATOM 497 CD GLU A 32 -12.637 -7.192 -20.506 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.852 -7.259 -21.438 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.829 -7.424 -20.602 1.00 0.00 O ATOM 0 H GLU A 32 -11.925 -5.743 -17.439 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.231 -7.008 -17.419 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.122 -6.490 -20.024 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.282 -8.014 -19.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.532 -7.419 -18.359 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.358 -5.764 -18.908 1.00 0.00 H new ATOM 506 N VAL A 33 -8.086 -4.794 -17.552 1.00 0.00 N ATOM 507 CA VAL A 33 -7.345 -3.522 -17.760 1.00 0.00 C ATOM 508 C VAL A 33 -6.894 -3.366 -19.219 1.00 0.00 C ATOM 509 O VAL A 33 -5.822 -3.804 -19.590 1.00 0.00 O ATOM 510 CB VAL A 33 -6.121 -3.493 -16.840 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.654 -2.044 -16.652 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.492 -4.083 -15.478 1.00 0.00 C ATOM 0 H VAL A 33 -7.647 -5.452 -16.908 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.014 -2.695 -17.524 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.319 -4.080 -17.288 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.783 -2.025 -15.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.390 -1.618 -17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.457 -1.458 -16.205 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.621 -4.062 -14.823 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.294 -3.495 -15.033 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.825 -5.113 -15.606 1.00 0.00 H new ATOM 522 N ILE A 34 -7.683 -2.726 -20.047 1.00 0.00 N ATOM 523 CA ILE A 34 -7.258 -2.537 -21.472 1.00 0.00 C ATOM 524 C ILE A 34 -5.936 -1.747 -21.534 1.00 0.00 C ATOM 525 O ILE A 34 -5.010 -2.129 -22.219 1.00 0.00 O ATOM 526 CB ILE A 34 -8.313 -1.745 -22.268 1.00 0.00 C ATOM 527 CG1 ILE A 34 -9.589 -2.583 -22.435 1.00 0.00 C ATOM 528 CG2 ILE A 34 -7.740 -1.394 -23.657 1.00 0.00 C ATOM 529 CD1 ILE A 34 -10.695 -1.748 -23.106 1.00 0.00 C ATOM 0 H ILE A 34 -8.591 -2.330 -19.804 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.136 -3.529 -21.906 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.560 -0.831 -21.728 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.376 -3.466 -23.037 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.930 -2.935 -21.462 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.482 -0.833 -24.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.841 -0.789 -23.538 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.492 -2.311 -24.191 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.593 -2.356 -23.217 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.920 -0.878 -22.488 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.356 -1.418 -24.088 1.00 0.00 H new ATOM 541 N GLU A 35 -5.856 -0.626 -20.855 1.00 0.00 N ATOM 542 CA GLU A 35 -4.612 0.204 -20.920 1.00 0.00 C ATOM 543 C GLU A 35 -4.370 0.913 -19.604 1.00 0.00 C ATOM 544 O GLU A 35 -5.262 1.096 -18.801 1.00 0.00 O ATOM 545 CB GLU A 35 -4.759 1.248 -22.041 1.00 0.00 C ATOM 546 CG GLU A 35 -3.376 1.711 -22.515 1.00 0.00 C ATOM 547 CD GLU A 35 -2.749 0.632 -23.401 1.00 0.00 C ATOM 548 OE1 GLU A 35 -3.415 0.190 -24.323 1.00 0.00 O ATOM 549 OE2 GLU A 35 -1.615 0.265 -23.143 1.00 0.00 O ATOM 0 H GLU A 35 -6.596 -0.252 -20.261 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.764 -0.451 -21.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.314 0.820 -22.876 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.333 2.102 -21.681 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.464 2.645 -23.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.734 1.909 -21.657 1.00 0.00 H new ATOM 556 N LYS A 36 -3.135 1.285 -19.371 1.00 0.00 N ATOM 557 CA LYS A 36 -2.773 1.956 -18.095 1.00 0.00 C ATOM 558 C LYS A 36 -1.861 3.171 -18.356 1.00 0.00 C ATOM 559 O LYS A 36 -0.726 3.182 -17.924 1.00 0.00 O ATOM 560 CB LYS A 36 -2.014 0.926 -17.230 1.00 0.00 C ATOM 561 CG LYS A 36 -2.637 -0.483 -17.391 1.00 0.00 C ATOM 562 CD LYS A 36 -1.934 -1.274 -18.509 1.00 0.00 C ATOM 563 CE LYS A 36 -2.798 -2.478 -18.922 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.153 -2.027 -19.345 1.00 0.00 N ATOM 0 H LYS A 36 -2.359 1.149 -20.019 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.674 2.310 -17.593 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.964 0.901 -17.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.047 1.227 -16.183 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.559 -1.028 -16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.699 -0.391 -17.619 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.760 -0.628 -19.369 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.958 -1.617 -18.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.316 -3.016 -19.738 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.884 -3.175 -18.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.848 -2.772 -19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.407 -1.161 -18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.151 -1.833 -20.367 1.00 0.00 H new ATOM 578 N PRO A 37 -2.385 4.182 -19.019 1.00 0.00 N ATOM 579 CA PRO A 37 -1.624 5.408 -19.283 1.00 0.00 C ATOM 580 C PRO A 37 -1.528 6.220 -17.999 1.00 0.00 C ATOM 581 O PRO A 37 -2.248 5.995 -17.048 1.00 0.00 O ATOM 582 CB PRO A 37 -2.439 6.176 -20.334 1.00 0.00 C ATOM 583 CG PRO A 37 -3.838 5.518 -20.373 1.00 0.00 C ATOM 584 CD PRO A 37 -3.753 4.190 -19.578 1.00 0.00 C ATOM 0 HA PRO A 37 -0.611 5.205 -19.631 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.514 7.231 -20.071 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.959 6.124 -21.311 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.585 6.180 -19.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.144 5.329 -21.402 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.504 4.150 -18.789 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.923 3.329 -20.224 1.00 0.00 H new ATOM 592 N GLU A 38 -0.656 7.170 -17.980 1.00 0.00 N ATOM 593 CA GLU A 38 -0.513 8.030 -16.766 1.00 0.00 C ATOM 594 C GLU A 38 -1.419 9.250 -16.935 1.00 0.00 C ATOM 595 O GLU A 38 -2.157 9.602 -16.042 1.00 0.00 O ATOM 596 CB GLU A 38 0.946 8.480 -16.630 1.00 0.00 C ATOM 597 CG GLU A 38 1.176 9.140 -15.262 1.00 0.00 C ATOM 598 CD GLU A 38 0.657 10.582 -15.273 1.00 0.00 C ATOM 599 OE1 GLU A 38 0.356 11.083 -16.343 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.573 11.162 -14.204 1.00 0.00 O ATOM 0 H GLU A 38 -0.028 7.399 -18.750 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.796 7.476 -15.871 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.610 7.623 -16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.193 9.182 -17.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.667 8.569 -14.485 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.239 9.131 -15.020 1.00 0.00 H new ATOM 607 N ASN A 39 -1.367 9.862 -18.094 1.00 0.00 N ATOM 608 CA ASN A 39 -2.212 11.058 -18.404 1.00 0.00 C ATOM 609 C ASN A 39 -1.942 12.167 -17.387 1.00 0.00 C ATOM 610 O ASN A 39 -1.502 13.246 -17.728 1.00 0.00 O ATOM 611 CB ASN A 39 -3.698 10.665 -18.374 1.00 0.00 C ATOM 612 CG ASN A 39 -4.074 9.969 -19.685 1.00 0.00 C ATOM 613 OD1 ASN A 39 -3.250 9.814 -20.565 1.00 0.00 O ATOM 614 ND2 ASN A 39 -5.295 9.537 -19.852 1.00 0.00 N ATOM 0 H ASN A 39 -0.757 9.573 -18.859 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.960 11.425 -19.399 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.892 10.002 -17.531 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.316 11.552 -18.231 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.556 9.070 -20.720 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.987 9.667 -19.114 1.00 0.00 H new ATOM 621 N ASP A 40 -2.173 11.880 -16.141 1.00 0.00 N ATOM 622 CA ASP A 40 -1.923 12.870 -15.051 1.00 0.00 C ATOM 623 C ASP A 40 -2.586 12.459 -13.709 1.00 0.00 C ATOM 624 O ASP A 40 -1.945 12.516 -12.678 1.00 0.00 O ATOM 625 CB ASP A 40 -2.337 14.321 -15.464 1.00 0.00 C ATOM 626 CG ASP A 40 -1.089 15.167 -15.766 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.132 14.612 -16.278 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.118 16.352 -15.481 1.00 0.00 O ATOM 0 H ASP A 40 -2.533 10.981 -15.820 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.845 12.870 -14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.982 14.286 -16.342 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.913 14.784 -14.663 1.00 0.00 H new ATOM 633 N PRO A 41 -3.824 12.074 -13.755 1.00 0.00 N ATOM 634 CA PRO A 41 -4.575 11.669 -12.554 1.00 0.00 C ATOM 635 C PRO A 41 -4.018 10.347 -12.010 1.00 0.00 C ATOM 636 O PRO A 41 -3.572 10.294 -10.885 1.00 0.00 O ATOM 637 CB PRO A 41 -6.032 11.500 -13.048 1.00 0.00 C ATOM 638 CG PRO A 41 -6.023 11.718 -14.589 1.00 0.00 C ATOM 639 CD PRO A 41 -4.566 12.015 -14.997 1.00 0.00 C ATOM 0 HA PRO A 41 -4.504 12.393 -11.743 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.409 10.507 -12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.689 12.220 -12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.395 10.833 -15.105 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.676 12.546 -14.865 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.175 11.236 -15.652 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.495 12.956 -15.543 1.00 0.00 H new ATOM 647 N GLU A 42 -4.061 9.306 -12.831 1.00 0.00 N ATOM 648 CA GLU A 42 -3.561 7.923 -12.465 1.00 0.00 C ATOM 649 C GLU A 42 -4.638 6.888 -12.850 1.00 0.00 C ATOM 650 O GLU A 42 -4.549 5.725 -12.516 1.00 0.00 O ATOM 651 CB GLU A 42 -3.236 7.794 -10.960 1.00 0.00 C ATOM 652 CG GLU A 42 -1.837 8.366 -10.656 1.00 0.00 C ATOM 653 CD GLU A 42 -0.761 7.517 -11.343 1.00 0.00 C ATOM 654 OE1 GLU A 42 -1.108 6.475 -11.874 1.00 0.00 O ATOM 655 OE2 GLU A 42 0.389 7.924 -11.326 1.00 0.00 O ATOM 0 H GLU A 42 -4.438 9.363 -13.777 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.635 7.744 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.987 8.324 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.279 6.747 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.774 9.397 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.667 8.381 -9.579 1.00 0.00 H new ATOM 662 N TRP A 43 -5.659 7.303 -13.559 1.00 14.29 N ATOM 663 CA TRP A 43 -6.739 6.348 -13.960 1.00 10.30 C ATOM 664 C TRP A 43 -6.230 5.386 -15.043 1.00 6.82 C ATOM 665 O TRP A 43 -5.193 5.600 -15.636 1.00 6.91 O ATOM 666 CB TRP A 43 -7.935 7.129 -14.492 1.00 13.39 C ATOM 667 CG TRP A 43 -8.259 8.269 -13.582 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.831 8.397 -12.305 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.083 9.438 -13.855 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.338 9.566 -11.781 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.113 10.245 -12.695 1.00 8.43 C ATOM 672 CE3 TRP A 43 -9.798 9.877 -14.983 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.824 11.437 -12.651 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.519 11.081 -14.943 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.531 11.861 -13.778 1.00 8.17 C ATOM 0 H TRP A 43 -5.791 8.263 -13.878 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.037 5.767 -13.087 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -7.717 7.504 -15.492 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -8.798 6.469 -14.580 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.196 7.697 -11.782 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.161 9.890 -10.830 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -9.793 9.284 -15.886 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.830 12.033 -11.750 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.067 11.408 -15.814 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.086 12.787 -13.752 1.00 8.17 H new ATOM 686 N TRP A 44 -6.961 4.321 -15.287 1.00 6.17 N ATOM 687 CA TRP A 44 -6.548 3.303 -16.312 1.00 5.58 C ATOM 688 C TRP A 44 -7.725 3.032 -17.256 1.00 6.91 C ATOM 689 O TRP A 44 -8.862 2.970 -16.833 1.00 8.86 O ATOM 690 CB TRP A 44 -6.244 1.963 -15.597 1.00 2.99 C ATOM 691 CG TRP A 44 -4.869 1.887 -14.979 1.00 7.04 C ATOM 692 CD1 TRP A 44 -3.863 2.797 -15.076 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.341 0.798 -14.163 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.770 2.330 -14.366 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.015 1.105 -13.790 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.888 -0.419 -13.711 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.255 0.240 -13.001 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.127 -1.292 -12.918 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.811 -0.963 -12.564 1.00 11.72 C ATOM 0 H TRP A 44 -7.839 4.111 -14.813 1.00 6.17 H new ATOM 0 HA TRP A 44 -5.679 3.677 -16.854 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -6.989 1.803 -14.818 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.353 1.149 -16.314 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -3.909 3.730 -15.618 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -1.888 2.834 -14.280 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.901 -0.682 -13.977 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.242 0.500 -12.730 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.558 -2.222 -12.579 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.229 -1.639 -11.955 1.00 11.72 H new ATOM 710 N LYS A 45 -7.468 2.784 -18.518 1.00 0.00 N ATOM 711 CA LYS A 45 -8.596 2.429 -19.416 1.00 0.00 C ATOM 712 C LYS A 45 -8.885 0.971 -19.136 1.00 0.00 C ATOM 713 O LYS A 45 -8.214 0.101 -19.650 1.00 0.00 O ATOM 714 CB LYS A 45 -8.222 2.568 -20.897 1.00 0.00 C ATOM 715 CG LYS A 45 -9.491 2.334 -21.771 1.00 0.00 C ATOM 716 CD LYS A 45 -9.153 2.530 -23.266 1.00 0.00 C ATOM 717 CE LYS A 45 -10.406 2.315 -24.124 1.00 0.00 C ATOM 718 NZ LYS A 45 -10.069 2.528 -25.559 1.00 0.00 N ATOM 0 H LYS A 45 -6.545 2.812 -18.952 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.443 3.090 -19.233 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.811 3.559 -21.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.448 1.846 -21.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.874 1.327 -21.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.278 3.027 -21.475 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.759 3.533 -23.429 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.374 1.829 -23.565 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.792 1.306 -23.976 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.192 3.005 -23.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.919 2.382 -26.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.720 3.498 -25.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.333 1.852 -25.847 1.00 0.00 H new ATOM 732 N CYS A 46 -9.842 0.687 -18.304 1.00 0.00 N ATOM 733 CA CYS A 46 -10.135 -0.735 -17.969 1.00 0.00 C ATOM 734 C CYS A 46 -11.518 -1.111 -18.440 1.00 0.00 C ATOM 735 O CYS A 46 -12.500 -0.461 -18.137 1.00 0.00 O ATOM 736 CB CYS A 46 -10.042 -0.928 -16.453 1.00 0.00 C ATOM 737 SG CYS A 46 -11.485 -0.181 -15.655 1.00 0.00 S ATOM 0 H CYS A 46 -10.435 1.375 -17.840 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.407 -1.374 -18.469 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.991 -1.990 -16.214 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.128 -0.472 -16.074 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.495 -0.208 -16.473 1.00 0.00 H new ATOM 743 N LYS A 47 -11.606 -2.186 -19.157 1.00 0.00 N ATOM 744 CA LYS A 47 -12.924 -2.644 -19.623 1.00 0.00 C ATOM 745 C LYS A 47 -13.539 -3.420 -18.477 1.00 0.00 C ATOM 746 O LYS A 47 -12.817 -4.016 -17.705 1.00 0.00 O ATOM 747 CB LYS A 47 -12.749 -3.571 -20.827 1.00 0.00 C ATOM 748 CG LYS A 47 -14.052 -4.329 -21.115 1.00 0.00 C ATOM 749 CD LYS A 47 -13.991 -4.948 -22.512 1.00 0.00 C ATOM 750 CE LYS A 47 -15.321 -5.632 -22.824 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.368 -6.000 -24.266 1.00 0.00 N ATOM 0 H LYS A 47 -10.817 -2.767 -19.439 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.552 -1.805 -19.921 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.459 -2.990 -21.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.944 -4.280 -20.634 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.203 -5.108 -20.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.902 -3.650 -21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.783 -4.177 -23.254 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.177 -5.671 -22.566 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.437 -6.523 -22.207 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.149 -4.967 -22.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.274 -6.465 -24.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.277 -5.142 -24.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.586 -6.650 -24.484 1.00 0.00 H new ATOM 765 N ASN A 48 -14.845 -3.458 -18.329 1.00 0.00 N ATOM 766 CA ASN A 48 -15.389 -4.287 -17.193 1.00 0.00 C ATOM 767 C ASN A 48 -15.769 -5.650 -17.769 1.00 0.00 C ATOM 768 O ASN A 48 -16.428 -5.715 -18.779 1.00 0.00 O ATOM 769 CB ASN A 48 -16.558 -3.582 -16.452 1.00 0.00 C ATOM 770 CG ASN A 48 -17.905 -3.580 -17.195 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.703 -2.696 -16.974 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.235 -4.534 -18.010 1.00 0.00 N ATOM 0 H ASN A 48 -15.531 -2.978 -18.911 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.632 -4.419 -16.420 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.697 -4.065 -15.485 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.270 -2.550 -16.254 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.154 -4.531 -18.453 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.576 -5.287 -18.208 1.00 0.00 H new ATOM 779 N ALA A 49 -15.326 -6.764 -17.200 1.00 0.00 N ATOM 780 CA ALA A 49 -15.699 -8.060 -17.829 1.00 0.00 C ATOM 781 C ALA A 49 -17.211 -8.070 -18.023 1.00 0.00 C ATOM 782 O ALA A 49 -17.742 -8.812 -18.826 1.00 0.00 O ATOM 783 CB ALA A 49 -15.283 -9.228 -16.937 1.00 0.00 C ATOM 0 H ALA A 49 -14.747 -6.819 -16.362 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.189 -8.168 -18.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.564 -10.167 -17.413 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.204 -9.205 -16.788 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.784 -9.146 -15.973 1.00 0.00 H new ATOM 789 N ARG A 50 -17.905 -7.211 -17.319 1.00 0.00 N ATOM 790 CA ARG A 50 -19.376 -7.138 -17.498 1.00 0.00 C ATOM 791 C ARG A 50 -19.607 -6.664 -18.929 1.00 0.00 C ATOM 792 O ARG A 50 -20.715 -6.624 -19.428 1.00 0.00 O ATOM 793 CB ARG A 50 -19.991 -6.175 -16.455 1.00 0.00 C ATOM 794 CG ARG A 50 -20.579 -6.978 -15.268 1.00 0.00 C ATOM 795 CD ARG A 50 -20.765 -6.087 -14.007 1.00 0.00 C ATOM 796 NE ARG A 50 -22.179 -6.172 -13.497 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.210 -5.957 -14.275 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.042 -5.577 -15.508 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.419 -6.096 -13.801 1.00 0.00 N ATOM 0 H ARG A 50 -17.515 -6.564 -16.634 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.859 -8.103 -17.341 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.230 -5.483 -16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.773 -5.574 -16.920 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.540 -7.404 -15.557 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.919 -7.812 -15.030 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -20.073 -6.404 -13.227 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.522 -5.052 -14.248 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.339 -6.404 -12.517 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.100 -5.444 -15.877 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.852 -5.412 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.557 -6.371 -12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.225 -5.930 -14.403 1.00 0.00 H new ATOM 813 N GLY A 51 -18.530 -6.353 -19.599 1.00 8.07 N ATOM 814 CA GLY A 51 -18.584 -5.928 -21.017 1.00 7.79 C ATOM 815 C GLY A 51 -18.654 -4.399 -21.164 1.00 9.08 C ATOM 816 O GLY A 51 -19.274 -3.907 -22.085 1.00 14.41 O ATOM 0 H GLY A 51 -17.590 -6.379 -19.205 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.704 -6.301 -21.540 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.454 -6.377 -21.496 1.00 7.79 H new ATOM 820 N GLN A 52 -18.023 -3.628 -20.291 1.00 0.00 N ATOM 821 CA GLN A 52 -18.084 -2.121 -20.459 1.00 0.00 C ATOM 822 C GLN A 52 -16.729 -1.469 -20.203 1.00 0.00 C ATOM 823 O GLN A 52 -15.840 -2.072 -19.683 1.00 0.00 O ATOM 824 CB GLN A 52 -19.222 -1.529 -19.577 1.00 0.00 C ATOM 825 CG GLN A 52 -18.704 -0.460 -18.597 1.00 0.00 C ATOM 826 CD GLN A 52 -19.821 -0.041 -17.662 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.362 -0.844 -16.928 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.190 1.204 -17.661 1.00 0.00 N ATOM 0 H GLN A 52 -17.484 -3.962 -19.492 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.327 -1.893 -21.497 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -19.986 -1.091 -20.219 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.700 -2.332 -19.016 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.865 -0.854 -18.023 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.335 0.405 -19.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.731 1.872 -18.280 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.939 1.514 -17.041 1.00 0.00 H new ATOM 837 N VAL A 53 -16.560 -0.227 -20.623 1.00 0.00 N ATOM 838 CA VAL A 53 -15.233 0.448 -20.443 1.00 0.00 C ATOM 839 C VAL A 53 -15.368 1.858 -19.867 1.00 0.00 C ATOM 840 O VAL A 53 -16.372 2.524 -20.010 1.00 0.00 O ATOM 841 CB VAL A 53 -14.524 0.540 -21.804 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.030 0.796 -21.598 1.00 0.00 C ATOM 843 CG2 VAL A 53 -14.720 -0.759 -22.593 1.00 0.00 C ATOM 0 H VAL A 53 -17.278 0.338 -21.077 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.657 -0.150 -19.736 1.00 0.00 H new ATOM 0 HB VAL A 53 -14.957 1.366 -22.368 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.535 0.860 -22.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.892 1.733 -21.058 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.597 -0.022 -21.022 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.213 -0.681 -23.555 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.302 -1.593 -22.030 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.784 -0.928 -22.757 1.00 0.00 H new ATOM 853 N GLY A 54 -14.320 2.296 -19.215 1.00 3.62 N ATOM 854 CA GLY A 54 -14.299 3.655 -18.601 1.00 3.70 C ATOM 855 C GLY A 54 -13.031 3.806 -17.748 1.00 4.69 C ATOM 856 O GLY A 54 -12.461 2.834 -17.292 1.00 7.25 O ATOM 0 H GLY A 54 -13.464 1.758 -19.081 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.321 4.418 -19.379 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.186 3.802 -17.984 1.00 3.70 H new ATOM 860 N LEU A 55 -12.599 5.015 -17.519 1.00 0.00 N ATOM 861 CA LEU A 55 -11.379 5.237 -16.682 1.00 0.00 C ATOM 862 C LEU A 55 -11.729 4.943 -15.217 1.00 0.00 C ATOM 863 O LEU A 55 -12.860 5.095 -14.802 1.00 0.00 O ATOM 864 CB LEU A 55 -10.936 6.705 -16.845 1.00 0.00 C ATOM 865 CG LEU A 55 -9.966 6.846 -18.033 1.00 0.00 C ATOM 866 CD1 LEU A 55 -8.640 6.087 -17.766 1.00 0.00 C ATOM 867 CD2 LEU A 55 -10.646 6.303 -19.297 1.00 0.00 C ATOM 0 H LEU A 55 -13.038 5.864 -17.875 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.567 4.580 -16.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.808 7.339 -17.003 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.453 7.049 -15.930 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.720 7.899 -18.168 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.975 6.204 -18.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.161 6.494 -16.875 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.851 5.029 -17.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.967 6.398 -20.145 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.900 5.253 -19.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.555 6.872 -19.494 1.00 0.00 H new ATOM 879 N VAL A 56 -10.776 4.509 -14.426 1.00 0.00 N ATOM 880 CA VAL A 56 -11.079 4.196 -12.996 1.00 0.00 C ATOM 881 C VAL A 56 -9.778 4.300 -12.162 1.00 0.00 C ATOM 882 O VAL A 56 -8.758 3.806 -12.600 1.00 0.00 O ATOM 883 CB VAL A 56 -11.635 2.756 -12.928 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.499 1.730 -13.048 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.365 2.535 -11.606 1.00 0.00 C ATOM 0 H VAL A 56 -9.807 4.359 -14.708 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.810 4.898 -12.595 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.329 2.623 -13.758 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.912 0.722 -12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.986 1.865 -14.000 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.792 1.873 -12.231 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.752 1.517 -11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.673 2.690 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.192 3.241 -11.525 1.00 0.00 H new ATOM 895 N PRO A 57 -9.817 4.906 -10.981 1.00 3.33 N ATOM 896 CA PRO A 57 -8.603 4.999 -10.151 1.00 2.75 C ATOM 897 C PRO A 57 -7.986 3.601 -10.014 1.00 4.32 C ATOM 898 O PRO A 57 -8.564 2.706 -9.429 1.00 4.76 O ATOM 899 CB PRO A 57 -9.084 5.563 -8.795 1.00 2.92 C ATOM 900 CG PRO A 57 -10.578 5.967 -8.964 1.00 3.30 C ATOM 901 CD PRO A 57 -11.021 5.530 -10.380 1.00 2.53 C ATOM 0 HA PRO A 57 -7.831 5.641 -10.576 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.975 4.817 -8.008 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.484 6.425 -8.503 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.194 5.486 -8.204 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.701 7.043 -8.839 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.851 4.824 -10.334 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.360 6.383 -10.969 1.00 2.53 H new ATOM 909 N LYS A 58 -6.825 3.410 -10.570 1.00 0.00 N ATOM 910 CA LYS A 58 -6.165 2.076 -10.510 1.00 0.00 C ATOM 911 C LYS A 58 -5.908 1.664 -9.055 1.00 0.00 C ATOM 912 O LYS A 58 -5.332 0.629 -8.792 1.00 0.00 O ATOM 913 CB LYS A 58 -4.840 2.152 -11.279 1.00 0.00 C ATOM 914 CG LYS A 58 -3.816 3.051 -10.532 1.00 0.00 C ATOM 915 CD LYS A 58 -2.492 3.140 -11.319 1.00 0.00 C ATOM 916 CE LYS A 58 -1.493 4.028 -10.569 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.227 4.118 -11.348 1.00 0.00 N ATOM 0 H LYS A 58 -6.299 4.127 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.816 1.327 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.428 1.150 -11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.017 2.549 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.232 4.049 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.627 2.647 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.073 2.143 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.677 3.547 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.913 5.023 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.295 3.616 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.584 4.027 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.197 3.353 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.183 5.037 -11.833 1.00 0.00 H new ATOM 931 N ASN A 59 -6.338 2.462 -8.110 1.00 10.56 N ATOM 932 CA ASN A 59 -6.127 2.117 -6.665 1.00 9.74 C ATOM 933 C ASN A 59 -7.434 1.568 -6.077 1.00 9.95 C ATOM 934 O ASN A 59 -7.473 1.100 -4.957 1.00 8.95 O ATOM 935 CB ASN A 59 -5.700 3.384 -5.903 1.00 10.40 C ATOM 936 CG ASN A 59 -4.265 3.755 -6.283 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.537 2.942 -6.819 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.825 4.956 -6.030 1.00 14.09 N ATOM 0 H ASN A 59 -6.828 3.341 -8.275 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.349 1.360 -6.573 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -6.374 4.207 -6.140 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.770 3.215 -4.828 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.871 5.213 -6.282 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.435 5.639 -5.580 1.00 14.09 H new ATOM 945 N TYR A 60 -8.504 1.631 -6.824 1.00 10.23 N ATOM 946 CA TYR A 60 -9.815 1.123 -6.315 1.00 5.50 C ATOM 947 C TYR A 60 -9.954 -0.368 -6.658 1.00 5.21 C ATOM 948 O TYR A 60 -11.003 -0.956 -6.483 1.00 7.16 O ATOM 949 CB TYR A 60 -10.952 1.908 -6.995 1.00 3.37 C ATOM 950 CG TYR A 60 -11.245 3.190 -6.240 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.199 3.977 -5.747 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.572 3.591 -6.048 1.00 2.00 C ATOM 953 CE1 TYR A 60 -10.480 5.164 -5.061 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.854 4.775 -5.361 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.808 5.565 -4.867 1.00 4.45 C ATOM 956 OH TYR A 60 -12.085 6.734 -4.190 1.00 9.52 O ATOM 0 H TYR A 60 -8.528 2.014 -7.769 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.867 1.253 -5.234 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.675 2.141 -8.023 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.850 1.292 -7.038 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.175 3.669 -5.896 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.379 2.985 -6.431 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.672 5.771 -4.681 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.879 5.081 -5.211 1.00 2.69 H new ATOM 0 HH TYR A 60 -13.055 6.864 -4.145 1.00 9.52 H new ATOM 966 N VAL A 61 -8.911 -0.981 -7.152 1.00 5.00 N ATOM 967 CA VAL A 61 -8.989 -2.429 -7.517 1.00 4.84 C ATOM 968 C VAL A 61 -7.626 -3.089 -7.284 1.00 5.03 C ATOM 969 O VAL A 61 -6.602 -2.434 -7.295 1.00 5.61 O ATOM 970 CB VAL A 61 -9.370 -2.558 -9.001 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.750 -1.942 -9.237 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.343 -1.823 -9.871 1.00 2.97 C ATOM 0 H VAL A 61 -8.006 -0.542 -7.319 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.741 -2.921 -6.900 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.387 -3.615 -9.267 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -11.015 -2.036 -10.290 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.490 -2.463 -8.629 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.730 -0.888 -8.961 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.620 -1.919 -10.921 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.322 -0.768 -9.596 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.356 -2.258 -9.715 1.00 2.97 H new ATOM 982 N VAL A 62 -7.607 -4.386 -7.091 1.00 0.00 N ATOM 983 CA VAL A 62 -6.303 -5.103 -6.879 1.00 0.00 C ATOM 984 C VAL A 62 -5.979 -5.896 -8.141 1.00 0.00 C ATOM 985 O VAL A 62 -6.842 -6.158 -8.938 1.00 0.00 O ATOM 986 CB VAL A 62 -6.423 -6.071 -5.699 1.00 0.00 C ATOM 987 CG1 VAL A 62 -7.618 -7.002 -5.917 1.00 0.00 C ATOM 988 CG2 VAL A 62 -5.148 -6.905 -5.588 1.00 0.00 C ATOM 0 H VAL A 62 -8.435 -4.981 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.516 -4.379 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.567 -5.501 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.701 -7.690 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.531 -6.411 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.474 -7.569 -6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.236 -7.593 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.003 -7.472 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.295 -6.246 -5.430 1.00 0.00 H new ATOM 998 N VAL A 63 -4.744 -6.275 -8.326 1.00 0.00 N ATOM 999 CA VAL A 63 -4.353 -7.055 -9.549 1.00 0.00 C ATOM 1000 C VAL A 63 -4.067 -8.508 -9.165 1.00 0.00 C ATOM 1001 O VAL A 63 -3.388 -8.784 -8.195 1.00 0.00 O ATOM 1002 CB VAL A 63 -3.100 -6.434 -10.169 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.911 -6.613 -9.222 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.801 -7.124 -11.501 1.00 0.00 C ATOM 0 H VAL A 63 -3.979 -6.079 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.169 -7.028 -10.271 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.267 -5.370 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.021 -6.169 -9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.125 -6.122 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.739 -7.676 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.909 -6.684 -11.946 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.635 -8.188 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.646 -6.992 -12.177 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.587 -9.439 -9.927 1.00 0.00 N ATOM 1015 CA LEU A 64 -4.362 -10.888 -9.629 1.00 0.00 C ATOM 1016 C LEU A 64 -3.347 -11.460 -10.628 1.00 0.00 C ATOM 1017 O LEU A 64 -2.274 -11.891 -10.255 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.701 -11.640 -9.756 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.489 -11.569 -8.431 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.898 -10.118 -8.110 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -7.743 -12.450 -8.532 1.00 0.00 C ATOM 0 H LEU A 64 -5.162 -9.256 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.974 -11.005 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.293 -11.206 -10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.516 -12.681 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.848 -11.930 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.452 -10.095 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.005 -9.500 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.527 -9.731 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.299 -12.400 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.372 -12.095 -9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.448 -13.482 -8.724 1.00 0.00 H new ATOM 1033 N SER A 65 -3.675 -11.471 -11.895 1.00 0.00 N ATOM 1034 CA SER A 65 -2.718 -12.018 -12.903 1.00 0.00 C ATOM 1035 C SER A 65 -1.522 -11.072 -13.038 1.00 0.00 C ATOM 1036 O SER A 65 -1.632 -9.883 -12.820 1.00 0.00 O ATOM 1037 CB SER A 65 -3.416 -12.169 -14.259 1.00 0.00 C ATOM 1038 OG SER A 65 -4.341 -13.247 -14.185 1.00 0.00 O ATOM 0 H SER A 65 -4.558 -11.127 -12.273 1.00 0.00 H new ATOM 0 HA SER A 65 -2.370 -12.997 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.933 -11.246 -14.521 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.681 -12.356 -15.042 1.00 0.00 H new ATOM 0 HG SER A 65 -5.245 -12.894 -14.049 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.377 -11.594 -13.389 1.00 0.00 N ATOM 1045 CA ASP A 66 0.833 -10.728 -13.535 1.00 0.00 C ATOM 1046 C ASP A 66 1.719 -11.279 -14.656 1.00 0.00 C ATOM 1047 O ASP A 66 1.710 -12.458 -14.945 1.00 0.00 O ATOM 1048 CB ASP A 66 1.615 -10.730 -12.220 1.00 0.00 C ATOM 1049 CG ASP A 66 2.118 -12.145 -11.921 1.00 0.00 C ATOM 1050 OD1 ASP A 66 1.745 -13.048 -12.650 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.864 -12.299 -10.968 1.00 0.00 O ATOM 0 H ASP A 66 -0.226 -12.584 -13.582 1.00 0.00 H new ATOM 0 HA ASP A 66 0.529 -9.710 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.457 -10.041 -12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.979 -10.380 -11.407 1.00 0.00 H new ATOM 1056 N GLY A 67 2.484 -10.432 -15.292 1.00 0.00 N ATOM 1057 CA GLY A 67 3.370 -10.906 -16.395 1.00 0.00 C ATOM 1058 C GLY A 67 4.671 -11.472 -15.806 1.00 0.00 C ATOM 1059 O GLY A 67 4.910 -12.662 -15.890 1.00 0.00 O ATOM 0 H GLY A 67 2.534 -9.432 -15.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.861 -11.672 -16.980 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.594 -10.083 -17.074 1.00 0.00 H new ATOM 1063 N PRO A 68 5.479 -10.613 -15.219 1.00 0.00 N ATOM 1064 CA PRO A 68 6.752 -11.047 -14.614 1.00 0.00 C ATOM 1065 C PRO A 68 6.476 -12.087 -13.518 1.00 0.00 C ATOM 1066 O PRO A 68 6.249 -11.749 -12.373 1.00 0.00 O ATOM 1067 CB PRO A 68 7.379 -9.758 -14.031 1.00 0.00 C ATOM 1068 CG PRO A 68 6.380 -8.591 -14.297 1.00 0.00 C ATOM 1069 CD PRO A 68 5.197 -9.164 -15.109 1.00 0.00 C ATOM 0 HA PRO A 68 7.423 -11.521 -15.330 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.562 -9.870 -12.962 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.342 -9.554 -14.500 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.029 -8.166 -13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.868 -7.787 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.247 -8.983 -14.605 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.130 -8.698 -16.092 1.00 0.00 H new ATOM 1077 N ALA A 69 6.513 -13.351 -13.862 1.00 0.00 N ATOM 1078 CA ALA A 69 6.276 -14.428 -12.864 1.00 0.00 C ATOM 1079 C ALA A 69 7.562 -15.227 -12.719 1.00 0.00 C ATOM 1080 O ALA A 69 7.743 -16.272 -13.314 1.00 0.00 O ATOM 1081 CB ALA A 69 5.159 -15.351 -13.360 1.00 0.00 C ATOM 0 H ALA A 69 6.701 -13.682 -14.808 1.00 0.00 H new ATOM 0 HA ALA A 69 5.983 -13.998 -11.906 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.987 -16.140 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.244 -14.775 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.451 -15.797 -14.311 1.00 0.00 H new ATOM 1087 N LEU A 70 8.456 -14.734 -11.924 1.00 0.00 N ATOM 1088 CA LEU A 70 9.754 -15.439 -11.706 1.00 0.00 C ATOM 1089 C LEU A 70 9.578 -16.496 -10.616 1.00 0.00 C ATOM 1090 O LEU A 70 9.147 -16.204 -9.518 1.00 0.00 O ATOM 1091 CB LEU A 70 10.817 -14.423 -11.268 1.00 0.00 C ATOM 1092 CG LEU A 70 11.200 -13.506 -12.448 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.748 -12.178 -11.914 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.276 -14.176 -13.314 1.00 0.00 C ATOM 0 H LEU A 70 8.349 -13.862 -11.406 1.00 0.00 H new ATOM 0 HA LEU A 70 10.071 -15.920 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.437 -13.823 -10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.701 -14.946 -10.903 1.00 0.00 H new ATOM 0 HG LEU A 70 10.310 -13.325 -13.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.017 -11.533 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.986 -11.687 -11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.631 -12.368 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.537 -13.518 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.163 -14.367 -12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.893 -15.119 -13.705 1.00 0.00 H new ATOM 1106 N HIS A 71 9.909 -17.725 -10.908 1.00 0.00 N ATOM 1107 CA HIS A 71 9.761 -18.799 -9.885 1.00 0.00 C ATOM 1108 C HIS A 71 8.353 -18.740 -9.286 1.00 0.00 C ATOM 1109 CB HIS A 71 10.796 -18.594 -8.777 1.00 0.00 C ATOM 1110 CG HIS A 71 10.839 -19.812 -7.896 1.00 0.00 C ATOM 1111 ND1 HIS A 71 9.886 -20.814 -7.975 1.00 0.00 N ATOM 1112 CD2 HIS A 71 11.718 -20.206 -6.916 1.00 0.00 C ATOM 1113 CE1 HIS A 71 10.208 -21.753 -7.065 1.00 0.00 C ATOM 1114 NE2 HIS A 71 11.316 -21.431 -6.393 1.00 0.00 N ATOM 0 H HIS A 71 10.275 -18.031 -11.810 1.00 0.00 H new ATOM 0 HA HIS A 71 9.918 -19.771 -10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.779 -18.413 -9.212 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.542 -17.714 -8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.588 -19.650 -6.600 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.640 -22.656 -6.899 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.770 -21.968 -5.654 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -13.017 -14.463 9.928 1.00 0.00 N ATOM 1124 CA GLY B 72 -12.195 -14.622 8.693 1.00 0.00 C ATOM 1125 C GLY B 72 -11.833 -13.242 8.141 1.00 0.00 C ATOM 1126 O GLY B 72 -12.079 -12.943 6.989 1.00 0.00 O ATOM 0 HA2 GLY B 72 -11.289 -15.185 8.916 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -12.748 -15.191 7.946 1.00 0.00 H new ATOM 1131 N SER B 73 -11.254 -12.401 8.950 1.00 0.00 N ATOM 1132 CA SER B 73 -10.879 -11.042 8.469 1.00 0.00 C ATOM 1133 C SER B 73 -9.587 -11.129 7.651 1.00 0.00 C ATOM 1134 O SER B 73 -8.801 -12.040 7.810 1.00 0.00 O ATOM 1135 CB SER B 73 -10.661 -10.118 9.667 1.00 0.00 C ATOM 1136 OG SER B 73 -11.722 -10.297 10.597 1.00 0.00 O ATOM 0 H SER B 73 -11.024 -12.595 9.924 1.00 0.00 H new ATOM 0 HA SER B 73 -11.679 -10.645 7.845 1.00 0.00 H new ATOM 0 HB2 SER B 73 -9.705 -10.338 10.142 1.00 0.00 H new ATOM 0 HB3 SER B 73 -10.622 -9.080 9.338 1.00 0.00 H new ATOM 0 HG SER B 73 -11.585 -9.707 11.368 1.00 0.00 H new ATOM 1142 N MET B 74 -9.364 -10.184 6.777 1.00 0.00 N ATOM 1143 CA MET B 74 -8.124 -10.214 5.952 1.00 0.00 C ATOM 1144 C MET B 74 -6.910 -10.424 6.859 1.00 0.00 C ATOM 1145 O MET B 74 -7.002 -10.321 8.066 1.00 0.00 O ATOM 1146 CB MET B 74 -7.978 -8.889 5.201 1.00 0.00 C ATOM 1147 CG MET B 74 -9.320 -8.505 4.575 1.00 0.00 C ATOM 1148 SD MET B 74 -9.076 -7.134 3.420 1.00 0.00 S ATOM 1149 CE MET B 74 -10.708 -6.379 3.617 1.00 0.00 C ATOM 0 H MET B 74 -9.986 -9.395 6.600 1.00 0.00 H new ATOM 0 HA MET B 74 -8.186 -11.033 5.235 1.00 0.00 H new ATOM 0 HB2 MET B 74 -7.646 -8.107 5.884 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.216 -8.980 4.427 1.00 0.00 H new ATOM 0 HG2 MET B 74 -9.749 -9.361 4.054 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.027 -8.218 5.353 1.00 0.00 H new ATOM 0 HE1 MET B 74 -10.780 -5.496 2.981 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.478 -7.096 3.331 1.00 0.00 H new ATOM 0 HE3 MET B 74 -10.852 -6.089 4.658 1.00 0.00 H new ATOM 1159 N GLY B 75 -5.775 -10.717 6.290 1.00 0.00 N ATOM 1160 CA GLY B 75 -4.558 -10.933 7.122 1.00 0.00 C ATOM 1161 C GLY B 75 -3.326 -11.020 6.218 1.00 0.00 C ATOM 1162 O GLY B 75 -2.501 -11.900 6.360 1.00 0.00 O ATOM 0 H GLY B 75 -5.637 -10.816 5.284 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -4.442 -10.116 7.834 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -4.661 -11.849 7.703 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.196 -10.112 5.289 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.016 -10.144 4.375 1.00 0.00 C ATOM 1168 C VAL B 76 -1.754 -8.733 3.834 1.00 0.00 C ATOM 1169 O VAL B 76 -2.656 -8.089 3.336 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.308 -11.080 3.192 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -1.554 -10.600 1.953 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -1.854 -12.503 3.511 1.00 0.00 C ATOM 0 H VAL B 76 -3.854 -9.350 5.123 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.145 -10.501 4.924 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.382 -11.071 3.008 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.765 -11.267 1.117 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.875 -9.590 1.700 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.483 -10.600 2.156 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.069 -13.152 2.662 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.782 -12.507 3.709 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -2.387 -12.867 4.390 1.00 0.00 H new ATOM 1182 N PRO B 77 -0.520 -8.303 3.915 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.120 -6.988 3.406 1.00 0.00 C ATOM 1184 C PRO B 77 -0.076 -7.042 1.896 1.00 0.00 C ATOM 1185 O PRO B 77 -0.054 -8.101 1.301 1.00 0.00 O ATOM 1186 CB PRO B 77 1.284 -6.752 3.969 1.00 0.00 C ATOM 1187 CG PRO B 77 1.733 -8.068 4.644 1.00 0.00 C ATOM 1188 CD PRO B 77 0.579 -9.069 4.529 1.00 0.00 C ATOM 0 HA PRO B 77 -0.807 -6.193 3.696 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.975 -6.472 3.174 1.00 0.00 H new ATOM 0 HB3 PRO B 77 1.277 -5.933 4.689 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.628 -8.459 4.161 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.986 -7.894 5.690 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.857 -9.925 3.914 1.00 0.00 H new ATOM 0 HD3 PRO B 77 0.293 -9.458 5.506 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.065 -5.913 1.273 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.023 -5.897 -0.204 1.00 0.00 C ATOM 1198 C ILE B 78 0.992 -4.866 -0.668 1.00 0.00 C ATOM 1199 O ILE B 78 0.903 -3.691 -0.364 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.415 -5.595 -0.742 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.347 -6.694 -0.233 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.378 -5.606 -2.265 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.808 -6.310 -0.430 1.00 0.00 C ATOM 0 H ILE B 78 -0.083 -4.997 1.721 1.00 0.00 H new ATOM 0 HA ILE B 78 0.285 -6.870 -0.587 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.763 -4.617 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.138 -7.625 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.155 -6.877 0.824 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.373 -5.390 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.678 -4.848 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.057 -6.587 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.448 -7.111 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.020 -5.392 0.118 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.003 -6.152 -1.491 1.00 0.00 H new ATOM 1215 N CYS B 79 1.974 -5.320 -1.380 1.00 0.00 N ATOM 1216 CA CYS B 79 3.042 -4.412 -1.855 1.00 0.00 C ATOM 1217 C CYS B 79 2.439 -3.301 -2.702 1.00 0.00 C ATOM 1218 O CYS B 79 1.859 -3.533 -3.743 1.00 0.00 O ATOM 1219 CB CYS B 79 4.058 -5.211 -2.668 1.00 0.00 C ATOM 1220 SG CYS B 79 5.203 -4.085 -3.498 1.00 0.00 S ATOM 0 H CYS B 79 2.084 -6.295 -1.657 1.00 0.00 H new ATOM 0 HA CYS B 79 3.545 -3.960 -1.001 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.609 -5.887 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.543 -5.828 -3.404 1.00 0.00 H new ATOM 1225 N GLY B 80 2.574 -2.091 -2.247 1.00 0.00 N ATOM 1226 CA GLY B 80 2.013 -0.942 -3.004 1.00 0.00 C ATOM 1227 C GLY B 80 2.736 -0.815 -4.342 1.00 0.00 C ATOM 1228 O GLY B 80 2.447 0.057 -5.136 1.00 0.00 O ATOM 0 H GLY B 80 3.051 -1.846 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY B 80 0.945 -1.087 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.126 -0.023 -2.428 1.00 0.00 H new ATOM 1232 N ALA B 81 3.679 -1.679 -4.598 1.00 0.00 N ATOM 1233 CA ALA B 81 4.427 -1.608 -5.882 1.00 0.00 C ATOM 1234 C ALA B 81 3.669 -2.392 -6.952 1.00 0.00 C ATOM 1235 O ALA B 81 3.449 -1.913 -8.048 1.00 0.00 O ATOM 1236 CB ALA B 81 5.823 -2.207 -5.692 1.00 0.00 C ATOM 0 H ALA B 81 3.963 -2.432 -3.972 1.00 0.00 H new ATOM 0 HA ALA B 81 4.522 -0.568 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.372 -2.156 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.359 -1.645 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.733 -3.248 -5.381 1.00 0.00 H new ATOM 1242 N CYS B 82 3.271 -3.590 -6.639 1.00 0.00 N ATOM 1243 CA CYS B 82 2.525 -4.421 -7.625 1.00 0.00 C ATOM 1244 C CYS B 82 1.116 -4.686 -7.093 1.00 0.00 C ATOM 1245 O CYS B 82 0.350 -5.425 -7.681 1.00 0.00 O ATOM 1246 CB CYS B 82 3.255 -5.751 -7.820 1.00 0.00 C ATOM 1247 SG CYS B 82 3.896 -6.320 -6.225 1.00 0.00 S ATOM 0 H CYS B 82 3.431 -4.035 -5.735 1.00 0.00 H new ATOM 0 HA CYS B 82 2.464 -3.897 -8.579 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.576 -6.494 -8.238 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.072 -5.630 -8.531 1.00 0.00 H new ATOM 1252 N ARG B 83 0.773 -4.097 -5.978 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.577 -4.325 -5.408 1.00 0.00 C ATOM 1254 C ARG B 83 -0.800 -5.829 -5.273 1.00 0.00 C ATOM 1255 O ARG B 83 -1.864 -6.339 -5.555 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.641 -3.724 -6.333 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.570 -2.190 -6.282 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.595 -1.578 -7.245 1.00 0.00 C ATOM 1259 NE ARG B 83 -2.553 -0.082 -7.170 1.00 0.00 N ATOM 1260 CZ ARG B 83 -1.664 0.610 -7.835 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -0.690 0.008 -8.462 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -1.723 1.914 -7.834 1.00 0.00 N ATOM 0 H ARG B 83 1.372 -3.469 -5.441 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.653 -3.848 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.485 -4.070 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.632 -4.061 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.763 -1.844 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.567 -1.856 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.386 -1.903 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.595 -1.933 -6.996 1.00 0.00 H new ATOM 0 HE ARG B 83 -3.232 0.408 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.618 -1.009 -8.436 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -0.001 0.555 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -2.461 2.391 -7.316 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -1.031 2.456 -8.352 1.00 0.00 H new ATOM 1276 N ARG B 84 0.209 -6.538 -4.841 1.00 0.00 N ATOM 1277 CA ARG B 84 0.082 -8.014 -4.674 1.00 0.00 C ATOM 1278 C ARG B 84 0.234 -8.354 -3.187 1.00 0.00 C ATOM 1279 O ARG B 84 1.017 -7.726 -2.502 1.00 0.00 O ATOM 1280 CB ARG B 84 1.191 -8.712 -5.471 1.00 0.00 C ATOM 1281 CG ARG B 84 0.676 -9.076 -6.866 1.00 0.00 C ATOM 1282 CD ARG B 84 1.863 -9.348 -7.792 1.00 0.00 C ATOM 1283 NE ARG B 84 2.315 -10.757 -7.619 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.156 -11.281 -8.470 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.600 -10.570 -9.470 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.549 -12.517 -8.319 1.00 0.00 N ATOM 0 H ARG B 84 1.122 -6.154 -4.595 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.890 -8.349 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.059 -8.058 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.517 -9.611 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.035 -9.956 -6.811 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.069 -8.264 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.577 -9.171 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.679 -8.662 -7.565 1.00 0.00 H new ATOM 0 HE ARG B 84 1.968 -11.312 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.290 -9.605 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG B 84 4.257 -10.979 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG B 84 3.199 -13.071 -7.538 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.206 -12.928 -8.982 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.512 -9.327 -2.724 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.451 -9.733 -1.311 1.00 0.00 C ATOM 1302 C PRO B 85 0.979 -10.109 -0.920 1.00 0.00 C ATOM 1303 O PRO B 85 1.524 -11.088 -1.390 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.403 -10.935 -1.204 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.067 -11.135 -2.585 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.459 -10.100 -3.549 1.00 0.00 C ATOM 0 HA PRO B 85 -0.744 -8.931 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -0.856 -11.831 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.159 -10.757 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.893 -12.147 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.147 -11.003 -2.513 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.952 -10.586 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.229 -9.457 -3.975 1.00 0.00 H new ATOM 1314 N ILE B 86 1.587 -9.338 -0.056 1.00 0.00 N ATOM 1315 CA ILE B 86 2.981 -9.664 0.368 1.00 0.00 C ATOM 1316 C ILE B 86 2.946 -10.913 1.249 1.00 0.00 C ATOM 1317 O ILE B 86 1.919 -11.258 1.799 1.00 0.00 O ATOM 1318 CB ILE B 86 3.585 -8.478 1.131 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.692 -7.270 0.192 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.986 -8.845 1.631 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.569 -5.973 1.000 1.00 0.00 C ATOM 0 H ILE B 86 1.183 -8.504 0.371 1.00 0.00 H new ATOM 0 HA ILE B 86 3.604 -9.857 -0.506 1.00 0.00 H new ATOM 0 HB ILE B 86 2.945 -8.234 1.979 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.645 -7.291 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.908 -7.314 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.412 -8.000 2.172 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.921 -9.707 2.296 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.623 -9.090 0.781 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.646 -5.118 0.329 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.605 -5.951 1.508 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.369 -5.927 1.739 1.00 0.00 H new ATOM 1333 N GLU B 87 4.043 -11.613 1.376 1.00 0.00 N ATOM 1334 CA GLU B 87 4.020 -12.854 2.211 1.00 0.00 C ATOM 1335 C GLU B 87 5.440 -13.249 2.626 1.00 0.00 C ATOM 1336 O GLU B 87 5.923 -14.316 2.303 1.00 0.00 O ATOM 1337 CB GLU B 87 3.386 -13.993 1.409 1.00 0.00 C ATOM 1338 CG GLU B 87 3.859 -13.921 -0.044 1.00 0.00 C ATOM 1339 CD GLU B 87 3.569 -15.250 -0.744 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.441 -15.442 -1.165 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.481 -16.053 -0.846 1.00 0.00 O ATOM 0 H GLU B 87 4.940 -11.386 0.947 1.00 0.00 H new ATOM 0 HA GLU B 87 3.434 -12.663 3.110 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.660 -14.954 1.844 1.00 0.00 H new ATOM 0 HB3 GLU B 87 2.299 -13.921 1.452 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.352 -13.107 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.927 -13.705 -0.079 1.00 0.00 H new ATOM 1348 N GLY B 88 6.101 -12.400 3.353 1.00 0.00 N ATOM 1349 CA GLY B 88 7.481 -12.704 3.819 1.00 0.00 C ATOM 1350 C GLY B 88 7.930 -11.563 4.717 1.00 0.00 C ATOM 1351 O GLY B 88 7.516 -11.454 5.854 1.00 0.00 O ATOM 0 H GLY B 88 5.740 -11.493 3.650 1.00 0.00 H new ATOM 0 HA2 GLY B 88 7.501 -13.649 4.363 1.00 0.00 H new ATOM 0 HA3 GLY B 88 8.156 -12.810 2.970 1.00 0.00 H new ATOM 1355 N ARG B 89 8.733 -10.690 4.198 1.00 0.00 N ATOM 1356 CA ARG B 89 9.182 -9.514 4.988 1.00 0.00 C ATOM 1357 C ARG B 89 8.567 -8.283 4.336 1.00 0.00 C ATOM 1358 O ARG B 89 8.759 -8.025 3.164 1.00 0.00 O ATOM 1359 CB ARG B 89 10.702 -9.419 4.978 1.00 0.00 C ATOM 1360 CG ARG B 89 11.284 -10.499 5.893 1.00 0.00 C ATOM 1361 CD ARG B 89 12.765 -10.202 6.157 1.00 0.00 C ATOM 1362 NE ARG B 89 13.569 -11.458 6.036 1.00 0.00 N ATOM 1363 CZ ARG B 89 13.160 -12.576 6.577 1.00 0.00 C ATOM 1364 NH1 ARG B 89 12.081 -12.597 7.310 1.00 0.00 N ATOM 1365 NH2 ARG B 89 13.848 -13.670 6.405 1.00 0.00 N ATOM 0 H ARG B 89 9.104 -10.738 3.249 1.00 0.00 H new ATOM 0 HA ARG B 89 8.868 -9.600 6.028 1.00 0.00 H new ATOM 0 HB2 ARG B 89 11.079 -9.545 3.963 1.00 0.00 H new ATOM 0 HB3 ARG B 89 11.018 -8.432 5.315 1.00 0.00 H new ATOM 0 HG2 ARG B 89 10.735 -10.528 6.834 1.00 0.00 H new ATOM 0 HG3 ARG B 89 11.176 -11.480 5.430 1.00 0.00 H new ATOM 0 HD2 ARG B 89 13.127 -9.459 5.447 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.887 -9.777 7.153 1.00 0.00 H new ATOM 0 HE ARG B 89 14.451 -11.442 5.523 1.00 0.00 H new ATOM 0 HH11 ARG B 89 11.552 -11.739 7.463 1.00 0.00 H new ATOM 0 HH12 ARG B 89 11.766 -13.472 7.730 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.703 -13.653 5.849 1.00 0.00 H new ATOM 0 HH22 ARG B 89 13.531 -14.543 6.826 1.00 0.00 H new ATOM 1379 N VAL B 90 7.789 -7.553 5.072 1.00 0.00 N ATOM 1380 CA VAL B 90 7.102 -6.363 4.485 1.00 0.00 C ATOM 1381 C VAL B 90 7.850 -5.077 4.818 1.00 0.00 C ATOM 1382 O VAL B 90 8.591 -5.001 5.777 1.00 0.00 O ATOM 1383 CB VAL B 90 5.689 -6.273 5.064 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.920 -5.122 4.401 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.944 -7.589 4.806 1.00 0.00 C ATOM 0 H VAL B 90 7.594 -7.723 6.059 1.00 0.00 H new ATOM 0 HA VAL B 90 7.073 -6.479 3.402 1.00 0.00 H new ATOM 0 HB VAL B 90 5.758 -6.090 6.136 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.915 -5.067 4.820 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.442 -4.183 4.584 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.856 -5.298 3.327 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.937 -7.524 5.219 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.885 -7.769 3.733 1.00 0.00 H new ATOM 0 HG23 VAL B 90 5.480 -8.410 5.283 1.00 0.00 H new ATOM 1395 N VAL B 91 7.623 -4.052 4.039 1.00 0.00 N ATOM 1396 CA VAL B 91 8.266 -2.740 4.301 1.00 0.00 C ATOM 1397 C VAL B 91 7.152 -1.718 4.458 1.00 0.00 C ATOM 1398 O VAL B 91 6.396 -1.470 3.545 1.00 0.00 O ATOM 1399 CB VAL B 91 9.173 -2.348 3.131 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.390 -0.831 3.134 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.522 -3.050 3.287 1.00 0.00 C ATOM 0 H VAL B 91 7.011 -4.073 3.223 1.00 0.00 H new ATOM 0 HA VAL B 91 8.882 -2.788 5.199 1.00 0.00 H new ATOM 0 HB VAL B 91 8.706 -2.645 2.192 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.036 -0.554 2.301 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.429 -0.326 3.032 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.859 -0.532 4.071 1.00 0.00 H new ATOM 0 HG21 VAL B 91 11.173 -2.775 2.457 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.984 -2.746 4.226 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.372 -4.130 3.289 1.00 0.00 H new ATOM 1411 N ASN B 92 7.022 -1.139 5.612 1.00 0.00 N ATOM 1412 CA ASN B 92 5.933 -0.149 5.814 1.00 0.00 C ATOM 1413 C ASN B 92 6.433 1.244 5.448 1.00 0.00 C ATOM 1414 O ASN B 92 7.198 1.854 6.169 1.00 0.00 O ATOM 1415 CB ASN B 92 5.488 -0.175 7.272 1.00 0.00 C ATOM 1416 CG ASN B 92 4.797 -1.507 7.576 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.994 -1.595 8.483 1.00 0.00 O ATOM 1418 ND2 ASN B 92 5.078 -2.552 6.847 1.00 0.00 N ATOM 0 H ASN B 92 7.619 -1.306 6.422 1.00 0.00 H new ATOM 0 HA ASN B 92 5.087 -0.402 5.176 1.00 0.00 H new ATOM 0 HB2 ASN B 92 6.349 -0.043 7.928 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.807 0.653 7.469 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.623 -3.445 7.038 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.753 -2.476 6.086 1.00 0.00 H new ATOM 1425 N ALA B 93 6.003 1.750 4.328 1.00 0.00 N ATOM 1426 CA ALA B 93 6.445 3.103 3.898 1.00 0.00 C ATOM 1427 C ALA B 93 5.284 3.793 3.185 1.00 0.00 C ATOM 1428 O ALA B 93 4.362 3.151 2.726 1.00 0.00 O ATOM 1429 CB ALA B 93 7.625 2.971 2.935 1.00 0.00 C ATOM 0 H ALA B 93 5.361 1.282 3.689 1.00 0.00 H new ATOM 0 HA ALA B 93 6.752 3.688 4.765 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.950 3.962 2.619 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.448 2.462 3.436 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.319 2.394 2.062 1.00 0.00 H new ATOM 1435 N MET B 94 5.314 5.094 3.094 1.00 0.00 N ATOM 1436 CA MET B 94 4.200 5.807 2.416 1.00 0.00 C ATOM 1437 C MET B 94 2.909 5.452 3.132 1.00 0.00 C ATOM 1438 O MET B 94 1.819 5.615 2.616 1.00 0.00 O ATOM 1439 CB MET B 94 4.102 5.350 0.956 1.00 0.00 C ATOM 1440 CG MET B 94 5.498 5.292 0.324 1.00 0.00 C ATOM 1441 SD MET B 94 6.047 6.970 -0.065 1.00 0.00 S ATOM 1442 CE MET B 94 7.798 6.751 0.332 1.00 0.00 C ATOM 0 H MET B 94 6.058 5.690 3.458 1.00 0.00 H new ATOM 0 HA MET B 94 4.375 6.883 2.442 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.631 4.368 0.906 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.469 6.037 0.394 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.200 4.817 1.009 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.475 4.685 -0.581 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.260 7.726 0.488 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.894 6.155 1.239 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.297 6.240 -0.492 1.00 0.00 H new ATOM 1452 N GLY B 95 3.038 4.945 4.315 1.00 0.00 N ATOM 1453 CA GLY B 95 1.835 4.543 5.088 1.00 0.00 C ATOM 1454 C GLY B 95 1.233 3.309 4.421 1.00 0.00 C ATOM 1455 O GLY B 95 0.052 3.042 4.521 1.00 0.00 O ATOM 0 H GLY B 95 3.929 4.789 4.787 1.00 0.00 H new ATOM 0 HA2 GLY B 95 2.102 4.324 6.122 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.109 5.355 5.112 1.00 0.00 H new ATOM 1459 N LYS B 96 2.051 2.573 3.725 1.00 0.00 N ATOM 1460 CA LYS B 96 1.572 1.353 3.013 1.00 0.00 C ATOM 1461 C LYS B 96 2.480 0.170 3.346 1.00 0.00 C ATOM 1462 O LYS B 96 3.123 0.128 4.372 1.00 0.00 O ATOM 1463 CB LYS B 96 1.625 1.618 1.503 1.00 0.00 C ATOM 1464 CG LYS B 96 0.665 2.762 1.132 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.283 2.303 0.019 1.00 0.00 C ATOM 1466 CE LYS B 96 -1.070 3.501 -0.509 1.00 0.00 C ATOM 1467 NZ LYS B 96 -2.010 3.984 0.542 1.00 0.00 N ATOM 0 H LYS B 96 3.047 2.766 3.617 1.00 0.00 H new ATOM 0 HA LYS B 96 0.553 1.121 3.323 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.642 1.876 1.207 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.354 0.714 0.958 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.092 3.067 2.008 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.232 3.633 0.803 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.285 1.843 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.967 1.545 0.400 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.387 4.300 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.624 3.219 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.638 4.708 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.580 3.187 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.469 4.394 1.330 1.00 0.00 H new ATOM 1481 N GLN B 97 2.526 -0.785 2.464 1.00 0.00 N ATOM 1482 CA GLN B 97 3.374 -1.988 2.663 1.00 0.00 C ATOM 1483 C GLN B 97 4.080 -2.247 1.331 1.00 0.00 C ATOM 1484 O GLN B 97 3.517 -2.011 0.282 1.00 0.00 O ATOM 1485 CB GLN B 97 2.468 -3.164 3.026 1.00 0.00 C ATOM 1486 CG GLN B 97 2.068 -3.052 4.511 1.00 0.00 C ATOM 1487 CD GLN B 97 0.615 -3.503 4.720 1.00 0.00 C ATOM 1488 OE1 GLN B 97 0.105 -3.440 5.818 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.072 -3.957 3.710 1.00 0.00 N ATOM 0 H GLN B 97 1.997 -0.781 1.592 1.00 0.00 H new ATOM 0 HA GLN B 97 4.104 -1.854 3.461 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.579 -3.162 2.396 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.985 -4.107 2.846 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.734 -3.664 5.119 1.00 0.00 H new ATOM 0 HG3 GLN B 97 2.186 -2.022 4.847 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.355 -4.011 2.785 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.037 -4.259 3.844 1.00 0.00 H new ATOM 1498 N TRP B 98 5.310 -2.687 1.340 1.00 0.00 N ATOM 1499 CA TRP B 98 6.011 -2.895 0.040 1.00 0.00 C ATOM 1500 C TRP B 98 6.879 -4.151 0.093 1.00 0.00 C ATOM 1501 O TRP B 98 7.545 -4.411 1.074 1.00 0.00 O ATOM 1502 CB TRP B 98 6.899 -1.676 -0.222 1.00 0.00 C ATOM 1503 CG TRP B 98 6.068 -0.437 -0.167 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.729 0.233 0.960 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.461 0.288 -1.269 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.945 1.322 0.615 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.755 1.398 -0.750 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.458 0.088 -2.654 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.064 2.277 -1.585 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 4.771 0.969 -3.499 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.073 2.062 -2.966 1.00 0.00 C ATOM 0 H TRP B 98 5.852 -2.908 2.175 1.00 0.00 H new ATOM 0 HA TRP B 98 5.277 -3.018 -0.756 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.696 -1.626 0.520 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.377 -1.763 -1.198 1.00 0.00 H new ATOM 0 HD1 TRP B 98 6.022 -0.037 1.964 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.557 1.985 1.286 1.00 0.00 H new ATOM 0 HE3 TRP B 98 5.990 -0.753 -3.075 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.527 3.116 -1.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 4.779 0.806 -4.567 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.543 2.737 -3.622 1.00 0.00 H new ATOM 1522 N HIS B 99 6.912 -4.924 -0.968 1.00 0.00 N ATOM 1523 CA HIS B 99 7.784 -6.131 -0.948 1.00 0.00 C ATOM 1524 C HIS B 99 9.198 -5.648 -0.643 1.00 0.00 C ATOM 1525 O HIS B 99 9.680 -4.710 -1.247 1.00 0.00 O ATOM 1526 CB HIS B 99 7.792 -6.828 -2.311 1.00 0.00 C ATOM 1527 CG HIS B 99 6.580 -7.707 -2.461 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.616 -7.469 -3.426 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.176 -8.835 -1.795 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.683 -8.433 -3.314 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.978 -9.292 -2.336 1.00 0.00 N ATOM 0 H HIS B 99 6.383 -4.772 -1.827 1.00 0.00 H new ATOM 0 HA HIS B 99 7.418 -6.840 -0.205 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.809 -6.083 -3.107 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.697 -7.426 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.706 -9.298 -0.976 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.804 -8.503 -3.938 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.440 -10.109 -2.047 1.00 0.00 H new ATOM 1539 N VAL B 100 9.871 -6.265 0.273 1.00 0.00 N ATOM 1540 CA VAL B 100 11.250 -5.817 0.586 1.00 0.00 C ATOM 1541 C VAL B 100 12.049 -5.779 -0.712 1.00 0.00 C ATOM 1542 O VAL B 100 13.122 -5.217 -0.786 1.00 0.00 O ATOM 1543 CB VAL B 100 11.880 -6.806 1.558 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.404 -6.682 1.511 1.00 0.00 C ATOM 1545 CG2 VAL B 100 11.379 -6.503 2.969 1.00 0.00 C ATOM 0 H VAL B 100 9.531 -7.057 0.819 1.00 0.00 H new ATOM 0 HA VAL B 100 11.241 -4.826 1.040 1.00 0.00 H new ATOM 0 HB VAL B 100 11.601 -7.822 1.279 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.848 -7.392 2.208 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.756 -6.896 0.502 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.695 -5.669 1.789 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.825 -7.206 3.672 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.660 -5.487 3.245 1.00 0.00 H new ATOM 0 HG23 VAL B 100 10.294 -6.599 2.998 1.00 0.00 H new ATOM 1555 N GLU B 101 11.528 -6.400 -1.730 1.00 0.00 N ATOM 1556 CA GLU B 101 12.241 -6.437 -3.033 1.00 0.00 C ATOM 1557 C GLU B 101 11.732 -5.323 -3.959 1.00 0.00 C ATOM 1558 O GLU B 101 12.441 -4.871 -4.835 1.00 0.00 O ATOM 1559 CB GLU B 101 11.994 -7.800 -3.691 1.00 0.00 C ATOM 1560 CG GLU B 101 12.517 -7.796 -5.130 1.00 0.00 C ATOM 1561 CD GLU B 101 13.973 -7.328 -5.149 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.805 -8.023 -4.589 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.232 -6.281 -5.720 1.00 0.00 O ATOM 0 H GLU B 101 10.632 -6.887 -1.715 1.00 0.00 H new ATOM 0 HA GLU B 101 13.307 -6.285 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.490 -8.584 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.928 -8.027 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.441 -8.796 -5.557 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.905 -7.138 -5.747 1.00 0.00 H new ATOM 1570 N HIS B 102 10.506 -4.888 -3.794 1.00 0.00 N ATOM 1571 CA HIS B 102 9.971 -3.818 -4.695 1.00 0.00 C ATOM 1572 C HIS B 102 10.074 -2.446 -4.029 1.00 0.00 C ATOM 1573 O HIS B 102 9.830 -1.435 -4.656 1.00 0.00 O ATOM 1574 CB HIS B 102 8.508 -4.114 -5.043 1.00 0.00 C ATOM 1575 CG HIS B 102 8.432 -5.406 -5.814 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.318 -6.243 -5.781 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.331 -6.017 -6.656 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.585 -7.294 -6.580 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.794 -7.206 -7.134 1.00 0.00 N ATOM 0 H HIS B 102 9.858 -5.223 -3.082 1.00 0.00 H new ATOM 0 HA HIS B 102 10.568 -3.807 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.913 -4.185 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.091 -3.299 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.308 -5.631 -6.908 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.900 -8.111 -6.751 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.232 -7.870 -7.773 1.00 0.00 H new ATOM 1587 N PHE B 103 10.459 -2.380 -2.786 1.00 0.00 N ATOM 1588 CA PHE B 103 10.597 -1.046 -2.154 1.00 0.00 C ATOM 1589 C PHE B 103 11.931 -0.479 -2.605 1.00 0.00 C ATOM 1590 O PHE B 103 12.980 -0.935 -2.200 1.00 0.00 O ATOM 1591 CB PHE B 103 10.558 -1.137 -0.629 1.00 0.00 C ATOM 1592 CG PHE B 103 10.355 0.254 -0.070 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.199 0.976 -0.395 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.328 0.830 0.757 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.019 2.269 0.105 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.142 2.124 1.257 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.988 2.845 0.930 1.00 0.00 C ATOM 0 H PHE B 103 10.680 -3.179 -2.191 1.00 0.00 H new ATOM 0 HA PHE B 103 9.767 -0.406 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.750 -1.795 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.486 -1.565 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.447 0.534 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.221 0.276 1.008 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.128 2.824 -0.147 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.891 2.567 1.897 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.847 3.844 1.315 1.00 0.00 H new ATOM 1607 N VAL B 104 11.899 0.477 -3.484 1.00 0.00 N ATOM 1608 CA VAL B 104 13.164 1.040 -4.018 1.00 0.00 C ATOM 1609 C VAL B 104 13.131 2.560 -4.021 1.00 0.00 C ATOM 1610 O VAL B 104 12.130 3.186 -3.732 1.00 0.00 O ATOM 1611 CB VAL B 104 13.330 0.577 -5.465 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.340 -0.957 -5.545 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.168 1.131 -6.296 1.00 0.00 C ATOM 0 H VAL B 104 11.047 0.895 -3.858 1.00 0.00 H new ATOM 0 HA VAL B 104 13.985 0.700 -3.387 1.00 0.00 H new ATOM 0 HB VAL B 104 14.279 0.946 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.459 -1.266 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.168 -1.347 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.400 -1.348 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.275 0.808 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.225 0.760 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.177 2.220 -6.253 1.00 0.00 H new ATOM 1623 N CYS B 105 14.232 3.142 -4.382 1.00 0.00 N ATOM 1624 CA CYS B 105 14.324 4.620 -4.462 1.00 0.00 C ATOM 1625 C CYS B 105 13.349 5.130 -5.520 1.00 0.00 C ATOM 1626 O CYS B 105 13.070 4.461 -6.496 1.00 0.00 O ATOM 1627 CB CYS B 105 15.751 4.985 -4.859 1.00 0.00 C ATOM 1628 SG CYS B 105 15.801 6.654 -5.561 1.00 0.00 S ATOM 0 H CYS B 105 15.089 2.647 -4.630 1.00 0.00 H new ATOM 0 HA CYS B 105 14.074 5.072 -3.502 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.403 4.930 -3.988 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.129 4.266 -5.586 1.00 0.00 H new ATOM 1633 N ALA B 106 12.821 6.305 -5.335 1.00 0.00 N ATOM 1634 CA ALA B 106 11.860 6.855 -6.326 1.00 0.00 C ATOM 1635 C ALA B 106 12.614 7.688 -7.369 1.00 0.00 C ATOM 1636 O ALA B 106 12.079 8.616 -7.942 1.00 0.00 O ATOM 1637 CB ALA B 106 10.851 7.729 -5.588 1.00 0.00 C ATOM 0 H ALA B 106 13.015 6.910 -4.537 1.00 0.00 H new ATOM 0 HA ALA B 106 11.341 6.044 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.137 8.142 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.320 7.128 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.374 8.543 -5.086 1.00 0.00 H new ATOM 1643 N LYS B 107 13.856 7.358 -7.621 1.00 0.00 N ATOM 1644 CA LYS B 107 14.656 8.125 -8.629 1.00 0.00 C ATOM 1645 C LYS B 107 15.492 7.165 -9.478 1.00 0.00 C ATOM 1646 O LYS B 107 15.770 7.425 -10.633 1.00 0.00 O ATOM 1647 CB LYS B 107 15.605 9.092 -7.909 1.00 0.00 C ATOM 1648 CG LYS B 107 16.367 9.941 -8.932 1.00 0.00 C ATOM 1649 CD LYS B 107 15.381 10.764 -9.770 1.00 0.00 C ATOM 1650 CE LYS B 107 16.039 12.077 -10.208 1.00 0.00 C ATOM 1651 NZ LYS B 107 15.965 13.064 -9.091 1.00 0.00 N ATOM 0 H LYS B 107 14.353 6.589 -7.172 1.00 0.00 H new ATOM 0 HA LYS B 107 13.969 8.679 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.038 9.738 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.309 8.532 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.063 10.605 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS B 107 16.960 9.297 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS B 107 15.069 10.194 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS B 107 14.483 10.973 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS B 107 17.079 11.901 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS B 107 15.537 12.472 -11.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 15.900 14.026 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.125 12.869 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 16.818 12.986 -8.502 1.00 0.00 H new ATOM 1665 N CYS B 108 15.918 6.068 -8.909 1.00 0.00 N ATOM 1666 CA CYS B 108 16.764 5.101 -9.675 1.00 0.00 C ATOM 1667 C CYS B 108 16.189 3.691 -9.561 1.00 0.00 C ATOM 1668 O CYS B 108 16.544 2.806 -10.312 1.00 0.00 O ATOM 1669 CB CYS B 108 18.170 5.118 -9.088 1.00 0.00 C ATOM 1670 SG CYS B 108 18.101 4.515 -7.389 1.00 0.00 S ATOM 0 H CYS B 108 15.717 5.798 -7.946 1.00 0.00 H new ATOM 0 HA CYS B 108 16.785 5.388 -10.726 1.00 0.00 H new ATOM 0 HB2 CYS B 108 18.835 4.492 -9.683 1.00 0.00 H new ATOM 0 HB3 CYS B 108 18.577 6.129 -9.113 1.00 0.00 H new ATOM 1675 N GLU B 109 15.306 3.474 -8.625 1.00 0.00 N ATOM 1676 CA GLU B 109 14.708 2.126 -8.455 1.00 0.00 C ATOM 1677 C GLU B 109 15.738 1.161 -7.877 1.00 0.00 C ATOM 1678 O GLU B 109 15.890 0.049 -8.340 1.00 0.00 O ATOM 1679 CB GLU B 109 14.193 1.595 -9.800 1.00 0.00 C ATOM 1680 CG GLU B 109 13.532 2.732 -10.594 1.00 0.00 C ATOM 1681 CD GLU B 109 12.459 2.156 -11.521 1.00 0.00 C ATOM 1682 OE1 GLU B 109 11.367 1.903 -11.044 1.00 0.00 O ATOM 1683 OE2 GLU B 109 12.752 1.980 -12.693 1.00 0.00 O ATOM 0 H GLU B 109 14.973 4.180 -7.968 1.00 0.00 H new ATOM 0 HA GLU B 109 13.869 2.206 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.018 1.171 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.475 0.792 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.086 3.455 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU B 109 14.282 3.266 -11.177 1.00 0.00 H new ATOM 1690 N LYS B 110 16.427 1.569 -6.840 1.00 0.00 N ATOM 1691 CA LYS B 110 17.421 0.662 -6.197 1.00 0.00 C ATOM 1692 C LYS B 110 16.773 0.087 -4.928 1.00 0.00 C ATOM 1693 O LYS B 110 16.542 0.815 -3.983 1.00 0.00 O ATOM 1694 CB LYS B 110 18.678 1.452 -5.822 1.00 0.00 C ATOM 1695 CG LYS B 110 19.847 0.485 -5.586 1.00 0.00 C ATOM 1696 CD LYS B 110 19.965 0.160 -4.095 1.00 0.00 C ATOM 1697 CE LYS B 110 21.147 -0.784 -3.868 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.367 -0.215 -4.503 1.00 0.00 N ATOM 0 H LYS B 110 16.342 2.491 -6.413 1.00 0.00 H new ATOM 0 HA LYS B 110 17.706 -0.138 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS B 110 18.929 2.154 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.494 2.041 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS B 110 19.692 -0.432 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS B 110 20.775 0.930 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.104 1.077 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.044 -0.302 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.313 -0.926 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS B 110 20.929 -1.765 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.213 -0.637 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.358 -0.425 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.384 0.815 -4.362 1.00 0.00 H new ATOM 1712 N PRO B 111 16.452 -1.187 -4.945 1.00 0.00 N ATOM 1713 CA PRO B 111 15.779 -1.834 -3.805 1.00 0.00 C ATOM 1714 C PRO B 111 16.693 -1.948 -2.590 1.00 0.00 C ATOM 1715 O PRO B 111 17.850 -2.302 -2.686 1.00 0.00 O ATOM 1716 CB PRO B 111 15.412 -3.233 -4.305 1.00 0.00 C ATOM 1717 CG PRO B 111 16.073 -3.422 -5.688 1.00 0.00 C ATOM 1718 CD PRO B 111 16.727 -2.087 -6.083 1.00 0.00 C ATOM 0 HA PRO B 111 14.915 -1.252 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.761 -3.993 -3.606 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.330 -3.342 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.819 -4.216 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.330 -3.718 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO B 111 17.798 -2.203 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.304 -1.697 -7.009 1.00 0.00 H new ATOM 1726 N PHE B 112 16.145 -1.682 -1.442 1.00 0.00 N ATOM 1727 CA PHE B 112 16.941 -1.804 -0.184 1.00 0.00 C ATOM 1728 C PHE B 112 16.682 -3.176 0.435 1.00 0.00 C ATOM 1729 O PHE B 112 16.258 -3.280 1.569 1.00 0.00 O ATOM 1730 CB PHE B 112 17.358 -0.512 1.475 1.00 0.00 C ATOM 1731 CG PHE B 112 16.143 0.527 0.083 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.862 0.654 -0.459 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.063 1.572 -0.042 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.498 1.826 -1.131 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.703 2.742 -0.713 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.422 2.874 -1.257 1.00 0.00 C ATOM 0 H PHE B 112 15.178 -1.384 -1.315 1.00 0.00 H new ATOM 0 HA PHE B 112 17.798 -1.443 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.946 -0.760 2.453 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.382 -0.175 1.637 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.152 -0.153 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.052 1.474 0.380 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.508 1.924 -1.552 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.416 3.547 -0.812 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.144 3.781 -1.773 1.00 0.00 H new ATOM 1745 N LEU B 113 16.928 -4.229 -0.292 1.00 0.00 N ATOM 1746 CA LEU B 113 16.688 -5.595 0.265 1.00 0.00 C ATOM 1747 C LEU B 113 17.116 -5.614 1.733 1.00 0.00 C ATOM 1748 O LEU B 113 16.349 -5.946 2.615 1.00 0.00 O ATOM 1749 CB LEU B 113 17.521 -6.613 -0.516 1.00 0.00 C ATOM 1750 CG LEU B 113 16.730 -7.089 -1.738 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.384 -5.888 -2.598 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.570 -8.068 -2.560 1.00 0.00 C ATOM 0 H LEU B 113 17.285 -4.206 -1.247 1.00 0.00 H new ATOM 0 HA LEU B 113 15.631 -5.848 0.183 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.462 -6.163 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.771 -7.461 0.122 1.00 0.00 H new ATOM 0 HG LEU B 113 15.821 -7.591 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.820 -6.216 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.782 -5.188 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.301 -5.396 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.998 -8.400 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.481 -7.573 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.830 -8.930 -1.945 1.00 0.00 H new ATOM 1764 N GLY B 114 18.336 -5.244 1.992 1.00 0.00 N ATOM 1765 CA GLY B 114 18.837 -5.216 3.396 1.00 0.00 C ATOM 1766 C GLY B 114 19.605 -3.915 3.620 1.00 0.00 C ATOM 1767 O GLY B 114 20.543 -3.862 4.393 1.00 0.00 O ATOM 0 H GLY B 114 19.015 -4.957 1.287 1.00 0.00 H new ATOM 0 HA2 GLY B 114 18.004 -5.287 4.095 1.00 0.00 H new ATOM 0 HA3 GLY B 114 19.484 -6.073 3.583 1.00 0.00 H new ATOM 1771 N HIS B 115 19.219 -2.867 2.942 1.00 0.00 N ATOM 1772 CA HIS B 115 19.927 -1.558 3.101 1.00 0.00 C ATOM 1773 C HIS B 115 18.974 -0.516 3.689 1.00 0.00 C ATOM 1774 O HIS B 115 17.816 -0.787 3.944 1.00 0.00 O ATOM 1775 CB HIS B 115 20.427 -1.080 1.733 1.00 0.00 C ATOM 1776 CG HIS B 115 20.775 -2.266 0.876 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.488 -2.307 -0.479 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.379 -3.460 1.169 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.920 -3.494 -0.948 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.472 -4.235 0.015 1.00 0.00 N ATOM 0 H HIS B 115 18.441 -2.859 2.282 1.00 0.00 H new ATOM 0 HA HIS B 115 20.773 -1.688 3.776 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.660 -0.479 1.245 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.301 -0.441 1.858 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.730 -3.756 2.147 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.830 -3.808 -1.978 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.875 -5.168 -0.075 1.00 0.00 H new ATOM 1788 N ARG B 116 19.456 0.678 3.909 1.00 0.00 N ATOM 1789 CA ARG B 116 18.592 1.753 4.479 1.00 0.00 C ATOM 1790 C ARG B 116 18.000 2.589 3.341 1.00 0.00 C ATOM 1791 O ARG B 116 18.641 2.814 2.331 1.00 0.00 O ATOM 1792 CB ARG B 116 19.443 2.657 5.385 1.00 0.00 C ATOM 1793 CG ARG B 116 18.715 3.981 5.643 1.00 0.00 C ATOM 1794 CD ARG B 116 19.385 4.718 6.804 1.00 0.00 C ATOM 1795 NE ARG B 116 18.553 5.891 7.195 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.762 6.489 8.334 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.703 6.061 9.133 1.00 0.00 N ATOM 1798 NH2 ARG B 116 18.032 7.515 8.679 1.00 0.00 N ATOM 0 H ARG B 116 20.418 0.957 3.717 1.00 0.00 H new ATOM 0 HA ARG B 116 17.785 1.305 5.059 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.643 2.153 6.331 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.408 2.849 4.916 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.736 4.600 4.746 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.667 3.792 5.876 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.507 4.046 7.653 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.382 5.047 6.512 1.00 0.00 H new ATOM 0 HE ARG B 116 17.819 6.226 6.571 1.00 0.00 H new ATOM 0 HH11 ARG B 116 20.274 5.259 8.865 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.867 6.529 10.024 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.297 7.850 8.057 1.00 0.00 H new ATOM 0 HH22 ARG B 116 18.197 7.982 9.571 1.00 0.00 H new ATOM 1812 N HIS B 117 16.789 3.061 3.499 1.00 0.00 N ATOM 1813 CA HIS B 117 16.164 3.894 2.429 1.00 0.00 C ATOM 1814 C HIS B 117 15.909 5.297 2.959 1.00 0.00 C ATOM 1815 O HIS B 117 16.037 5.567 4.137 1.00 0.00 O ATOM 1816 CB HIS B 117 14.834 3.289 1.989 1.00 0.00 C ATOM 1817 CG HIS B 117 14.065 2.843 3.201 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.218 1.583 3.756 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.127 3.484 3.974 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.394 1.505 4.819 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.707 2.637 4.997 1.00 0.00 N ATOM 0 H HIS B 117 16.207 2.905 4.322 1.00 0.00 H new ATOM 0 HA HIS B 117 16.844 3.929 1.578 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.256 4.023 1.427 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.009 2.443 1.324 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.770 4.491 3.813 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.300 0.634 5.450 1.00 0.00 H new ATOM 0 HE2 HIS B 117 12.022 2.838 5.726 1.00 0.00 H new ATOM 1829 N TYR B 118 15.565 6.195 2.084 1.00 0.00 N ATOM 1830 CA TYR B 118 15.314 7.599 2.497 1.00 0.00 C ATOM 1831 C TYR B 118 13.995 8.071 1.870 1.00 0.00 C ATOM 1832 O TYR B 118 13.702 7.776 0.730 1.00 0.00 O ATOM 1833 CB TYR B 118 16.499 8.430 2.012 1.00 0.00 C ATOM 1834 CG TYR B 118 17.766 7.703 2.407 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.117 6.502 1.771 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.577 8.205 3.433 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.269 5.811 2.159 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.727 7.506 3.819 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.069 6.310 3.186 1.00 0.00 C ATOM 1840 OH TYR B 118 21.200 5.624 3.580 1.00 0.00 O ATOM 0 H TYR B 118 15.446 6.013 1.087 1.00 0.00 H new ATOM 0 HA TYR B 118 15.221 7.700 3.578 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.456 8.562 0.931 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.475 9.425 2.456 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.495 6.110 0.979 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.316 9.130 3.926 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.539 4.890 1.663 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.352 7.894 4.610 1.00 0.00 H new ATOM 0 HH TYR B 118 21.348 4.864 2.979 1.00 0.00 H new ATOM 1850 N GLU B 119 13.184 8.772 2.622 1.00 0.00 N ATOM 1851 CA GLU B 119 11.859 9.224 2.089 1.00 0.00 C ATOM 1852 C GLU B 119 11.861 10.726 1.805 1.00 0.00 C ATOM 1853 O GLU B 119 12.512 11.501 2.475 1.00 0.00 O ATOM 1854 CB GLU B 119 10.775 8.915 3.125 1.00 0.00 C ATOM 1855 CG GLU B 119 10.339 7.456 2.992 1.00 0.00 C ATOM 1856 CD GLU B 119 9.456 7.074 4.182 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.256 7.276 4.094 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.995 6.585 5.162 1.00 0.00 O ATOM 0 H GLU B 119 13.381 9.052 3.583 1.00 0.00 H new ATOM 0 HA GLU B 119 11.663 8.696 1.156 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.154 9.101 4.130 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.920 9.575 2.979 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.793 7.313 2.060 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.214 6.807 2.952 1.00 0.00 H new ATOM 1865 N ARG B 120 11.111 11.136 0.814 1.00 0.00 N ATOM 1866 CA ARG B 120 11.037 12.589 0.479 1.00 0.00 C ATOM 1867 C ARG B 120 9.686 12.919 -0.164 1.00 0.00 C ATOM 1868 O ARG B 120 9.254 12.280 -1.104 1.00 0.00 O ATOM 1869 CB ARG B 120 12.149 12.954 -0.498 1.00 0.00 C ATOM 1870 CG ARG B 120 12.146 14.475 -0.739 1.00 0.00 C ATOM 1871 CD ARG B 120 11.990 14.768 -2.233 1.00 0.00 C ATOM 1872 NE ARG B 120 10.824 14.015 -2.774 1.00 0.00 N ATOM 1873 CZ ARG B 120 10.340 14.320 -3.947 1.00 0.00 C ATOM 1874 NH1 ARG B 120 10.877 15.282 -4.644 1.00 0.00 N ATOM 1875 NH2 ARG B 120 9.317 13.659 -4.422 1.00 0.00 N ATOM 0 H ARG B 120 10.547 10.526 0.222 1.00 0.00 H new ATOM 0 HA ARG B 120 11.150 13.160 1.400 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.114 12.641 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.006 12.426 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.331 14.938 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.074 14.912 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG B 120 11.849 15.837 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG B 120 12.897 14.484 -2.766 1.00 0.00 H new ATOM 0 HE ARG B 120 10.405 13.262 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG B 120 11.676 15.796 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG B 120 10.499 15.520 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG B 120 8.898 12.906 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG B 120 8.938 13.896 -5.339 1.00 0.00 H new ATOM 1889 N LYS B 121 9.024 13.922 0.343 1.00 0.00 N ATOM 1890 CA LYS B 121 7.708 14.329 -0.216 1.00 0.00 C ATOM 1891 C LYS B 121 6.800 13.118 -0.306 1.00 0.00 C ATOM 1892 O LYS B 121 5.853 13.090 -1.069 1.00 0.00 O ATOM 1893 CB LYS B 121 7.893 14.936 -1.607 1.00 0.00 C ATOM 1894 CG LYS B 121 8.618 16.280 -1.492 1.00 0.00 C ATOM 1895 CD LYS B 121 8.472 17.053 -2.803 1.00 0.00 C ATOM 1896 CE LYS B 121 9.151 18.416 -2.671 1.00 0.00 C ATOM 1897 NZ LYS B 121 8.338 19.293 -1.781 1.00 0.00 N ATOM 0 H LYS B 121 9.345 14.483 1.132 1.00 0.00 H new ATOM 0 HA LYS B 121 7.258 15.075 0.439 1.00 0.00 H new ATOM 0 HB2 LYS B 121 8.466 14.256 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS B 121 6.924 15.075 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.203 16.860 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS B 121 9.673 16.118 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS B 121 8.920 16.490 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS B 121 7.417 17.182 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.155 18.296 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS B 121 9.259 18.877 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 8.637 20.282 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 7.332 19.203 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 8.477 19.007 -0.791 1.00 0.00 H new ATOM 1911 N GLY B 122 7.069 12.116 0.475 1.00 0.00 N ATOM 1912 CA GLY B 122 6.207 10.912 0.437 1.00 0.00 C ATOM 1913 C GLY B 122 6.695 9.966 -0.653 1.00 0.00 C ATOM 1914 O GLY B 122 5.930 9.239 -1.254 1.00 0.00 O ATOM 0 H GLY B 122 7.845 12.079 1.135 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.225 10.409 1.404 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.173 11.199 0.247 1.00 0.00 H new ATOM 1918 N LEU B 123 7.969 9.969 -0.908 1.00 0.00 N ATOM 1919 CA LEU B 123 8.534 9.068 -1.947 1.00 0.00 C ATOM 1920 C LEU B 123 9.897 8.575 -1.482 1.00 0.00 C ATOM 1921 O LEU B 123 10.652 9.294 -0.857 1.00 0.00 O ATOM 1922 CB LEU B 123 8.681 9.817 -3.272 1.00 0.00 C ATOM 1923 CG LEU B 123 7.350 9.839 -4.024 1.00 0.00 C ATOM 1924 CD1 LEU B 123 7.529 10.633 -5.318 1.00 0.00 C ATOM 1925 CD2 LEU B 123 6.915 8.401 -4.350 1.00 0.00 C ATOM 0 H LEU B 123 8.651 10.563 -0.437 1.00 0.00 H new ATOM 0 HA LEU B 123 7.864 8.222 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.017 10.837 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.444 9.338 -3.885 1.00 0.00 H new ATOM 0 HG LEU B 123 6.583 10.307 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU B 123 6.586 10.656 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU B 123 7.836 11.652 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.293 10.158 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU B 123 5.966 8.421 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU B 123 7.673 7.924 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU B 123 6.797 7.838 -3.424 1.00 0.00 H new ATOM 1937 N ALA B 124 10.215 7.347 -1.766 1.00 0.00 N ATOM 1938 CA ALA B 124 11.521 6.801 -1.320 1.00 0.00 C ATOM 1939 C ALA B 124 12.651 7.323 -2.198 1.00 0.00 C ATOM 1940 O ALA B 124 12.468 7.631 -3.358 1.00 0.00 O ATOM 1941 CB ALA B 124 11.506 5.278 -1.416 1.00 0.00 C ATOM 0 H ALA B 124 9.627 6.698 -2.288 1.00 0.00 H new ATOM 0 HA ALA B 124 11.683 7.116 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.467 4.883 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.714 4.881 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.326 4.980 -2.449 1.00 0.00 H new ATOM 1947 N TYR B 125 13.830 7.397 -1.649 1.00 0.00 N ATOM 1948 CA TYR B 125 14.991 7.863 -2.436 1.00 0.00 C ATOM 1949 C TYR B 125 16.253 7.268 -1.837 1.00 0.00 C ATOM 1950 O TYR B 125 16.389 7.182 -0.639 1.00 0.00 O ATOM 1951 CB TYR B 125 15.082 9.382 -2.374 1.00 0.00 C ATOM 1952 CG TYR B 125 14.042 9.969 -3.275 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.282 10.074 -4.646 1.00 0.00 C ATOM 1954 CD2 TYR B 125 12.834 10.406 -2.738 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.296 10.622 -5.483 1.00 0.00 C ATOM 1956 CE2 TYR B 125 11.860 10.953 -3.561 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.086 11.061 -4.938 1.00 0.00 C ATOM 1958 OH TYR B 125 11.115 11.602 -5.755 1.00 0.00 O ATOM 0 H TYR B 125 14.035 7.151 -0.681 1.00 0.00 H new ATOM 0 HA TYR B 125 14.878 7.552 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR B 125 14.932 9.727 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.075 9.713 -2.679 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.220 9.736 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR B 125 12.654 10.319 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR B 125 13.472 10.704 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR B 125 10.927 11.296 -3.139 1.00 0.00 H new ATOM 0 HH TYR B 125 10.230 11.419 -5.377 1.00 0.00 H new ATOM 1968 N CYS B 126 17.181 6.856 -2.643 1.00 0.00 N ATOM 1969 CA CYS B 126 18.416 6.282 -2.056 1.00 0.00 C ATOM 1970 C CYS B 126 19.044 7.328 -1.131 1.00 0.00 C ATOM 1971 O CYS B 126 18.572 8.443 -1.027 1.00 0.00 O ATOM 1972 CB CYS B 126 19.424 5.948 -3.155 1.00 0.00 C ATOM 1973 SG CYS B 126 18.817 4.576 -4.155 1.00 0.00 S ATOM 0 H CYS B 126 17.143 6.889 -3.662 1.00 0.00 H new ATOM 0 HA CYS B 126 18.163 5.373 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS B 126 19.590 6.822 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.385 5.688 -2.711 1.00 0.00 H new ATOM 1978 N GLU B 127 20.119 6.984 -0.484 1.00 0.00 N ATOM 1979 CA GLU B 127 20.798 7.966 0.415 1.00 0.00 C ATOM 1980 C GLU B 127 21.314 9.143 -0.417 1.00 0.00 C ATOM 1981 O GLU B 127 21.333 10.275 0.027 1.00 0.00 O ATOM 1982 CB GLU B 127 22.000 7.296 1.087 1.00 0.00 C ATOM 1983 CG GLU B 127 22.570 8.218 2.169 1.00 0.00 C ATOM 1984 CD GLU B 127 23.493 7.418 3.090 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.972 6.383 2.661 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.702 7.855 4.209 1.00 0.00 O ATOM 0 H GLU B 127 20.560 6.066 -0.536 1.00 0.00 H new ATOM 0 HA GLU B 127 20.088 8.312 1.166 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.699 6.346 1.528 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.767 7.074 0.344 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.121 9.038 1.709 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.759 8.662 2.746 1.00 0.00 H new ATOM 1993 N THR B 128 21.763 8.871 -1.609 1.00 0.00 N ATOM 1994 CA THR B 128 22.319 9.952 -2.475 1.00 0.00 C ATOM 1995 C THR B 128 21.222 10.640 -3.278 1.00 0.00 C ATOM 1996 O THR B 128 21.203 11.849 -3.388 1.00 0.00 O ATOM 1997 CB THR B 128 23.346 9.350 -3.437 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.443 8.837 -2.695 1.00 0.00 O ATOM 1999 CG2 THR B 128 23.840 10.430 -4.402 1.00 0.00 C ATOM 0 H THR B 128 21.770 7.940 -2.026 1.00 0.00 H new ATOM 0 HA THR B 128 22.790 10.696 -1.832 1.00 0.00 H new ATOM 0 HB THR B 128 22.882 8.544 -4.006 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.101 8.450 -3.309 1.00 0.00 H new ATOM 0 HG21 THR B 128 24.571 10.000 -5.086 1.00 0.00 H new ATOM 0 HG22 THR B 128 22.997 10.822 -4.971 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.304 11.238 -3.837 1.00 0.00 H new ATOM 2007 N HIS B 129 20.311 9.908 -3.843 1.00 0.00 N ATOM 2008 CA HIS B 129 19.250 10.565 -4.633 1.00 0.00 C ATOM 2009 C HIS B 129 18.392 11.377 -3.686 1.00 0.00 C ATOM 2010 O HIS B 129 18.074 12.517 -3.945 1.00 0.00 O ATOM 2011 CB HIS B 129 18.422 9.510 -5.365 1.00 0.00 C ATOM 2012 CG HIS B 129 19.327 8.777 -6.328 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.274 7.397 -6.545 1.00 0.00 N ATOM 2014 CD2 HIS B 129 20.335 9.237 -7.142 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.222 7.097 -7.452 1.00 0.00 C ATOM 2016 NE2 HIS B 129 20.895 8.177 -7.847 1.00 0.00 N ATOM 0 H HIS B 129 20.257 8.891 -3.791 1.00 0.00 H new ATOM 0 HA HIS B 129 19.681 11.226 -5.385 1.00 0.00 H new ATOM 0 HB2 HIS B 129 17.982 8.812 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS B 129 17.598 9.980 -5.902 1.00 0.00 H new ATOM 0 HD2 HIS B 129 20.646 10.268 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS B 129 20.414 6.099 -7.817 1.00 0.00 H new ATOM 0 HE2 HIS B 129 21.658 8.218 -8.522 1.00 0.00 H new ATOM 2024 N TYR B 130 18.053 10.824 -2.563 1.00 0.00 N ATOM 2025 CA TYR B 130 17.261 11.586 -1.591 1.00 0.00 C ATOM 2026 C TYR B 130 17.967 12.903 -1.374 1.00 0.00 C ATOM 2027 O TYR B 130 17.418 13.972 -1.551 1.00 0.00 O ATOM 2028 CB TYR B 130 17.250 10.828 -0.275 1.00 0.00 C ATOM 2029 CG TYR B 130 16.685 11.707 0.811 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.620 12.566 0.532 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.230 11.664 2.101 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.100 13.378 1.532 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.706 12.482 3.107 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.637 13.339 2.824 1.00 0.00 C ATOM 2035 OH TYR B 130 15.118 14.145 3.816 1.00 0.00 O ATOM 0 H TYR B 130 18.294 9.874 -2.282 1.00 0.00 H new ATOM 0 HA TYR B 130 16.241 11.735 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.652 9.922 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.262 10.516 -0.015 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.200 12.599 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.054 11.000 2.318 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.278 14.042 1.312 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.126 12.452 4.101 1.00 0.00 H new ATOM 0 HH TYR B 130 15.753 14.863 4.020 1.00 0.00 H new ATOM 2045 N ASN B 131 19.195 12.806 -0.986 1.00 0.00 N ATOM 2046 CA ASN B 131 19.981 14.026 -0.743 1.00 0.00 C ATOM 2047 C ASN B 131 20.150 14.778 -2.056 1.00 0.00 C ATOM 2048 O ASN B 131 19.964 15.978 -2.119 1.00 0.00 O ATOM 2049 CB ASN B 131 21.348 13.661 -0.167 1.00 0.00 C ATOM 2050 CG ASN B 131 21.210 13.332 1.318 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.226 14.216 2.154 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.077 12.090 1.689 1.00 0.00 N ATOM 0 H ASN B 131 19.690 11.929 -0.826 1.00 0.00 H new ATOM 0 HA ASN B 131 19.460 14.660 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN B 131 21.762 12.806 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.043 14.489 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.987 11.860 2.679 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.063 11.348 0.990 1.00 0.00 H new ATOM 2059 N GLN B 132 20.472 14.091 -3.120 1.00 0.00 N ATOM 2060 CA GLN B 132 20.611 14.808 -4.418 1.00 0.00 C ATOM 2061 C GLN B 132 19.310 15.560 -4.646 1.00 0.00 C ATOM 2062 O GLN B 132 19.278 16.648 -5.183 1.00 0.00 O ATOM 2063 CB GLN B 132 20.837 13.814 -5.566 1.00 0.00 C ATOM 2064 CG GLN B 132 21.460 14.542 -6.759 1.00 0.00 C ATOM 2065 CD GLN B 132 22.940 14.817 -6.479 1.00 0.00 C ATOM 2066 OE1 GLN B 132 23.395 14.672 -5.361 1.00 0.00 O ATOM 2067 NE2 GLN B 132 23.712 15.207 -7.454 1.00 0.00 N ATOM 0 H GLN B 132 20.641 13.086 -3.147 1.00 0.00 H new ATOM 0 HA GLN B 132 21.466 15.484 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN B 132 21.491 13.006 -5.238 1.00 0.00 H new ATOM 0 HB3 GLN B 132 19.891 13.359 -5.858 1.00 0.00 H new ATOM 0 HG2 GLN B 132 21.356 13.938 -7.661 1.00 0.00 H new ATOM 0 HG3 GLN B 132 20.934 15.479 -6.941 1.00 0.00 H new ATOM 0 HE21 GLN B 132 23.328 15.328 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN B 132 24.700 15.391 -7.280 1.00 0.00 H new ATOM 2076 N LEU B 133 18.238 14.970 -4.210 1.00 0.00 N ATOM 2077 CA LEU B 133 16.908 15.610 -4.349 1.00 0.00 C ATOM 2078 C LEU B 133 16.741 16.676 -3.266 1.00 0.00 C ATOM 2079 O LEU B 133 16.124 17.702 -3.477 1.00 0.00 O ATOM 2080 CB LEU B 133 15.814 14.543 -4.177 1.00 0.00 C ATOM 2081 CG LEU B 133 15.419 13.949 -5.539 1.00 0.00 C ATOM 2082 CD1 LEU B 133 16.267 12.714 -5.851 1.00 0.00 C ATOM 2083 CD2 LEU B 133 13.951 13.539 -5.495 1.00 0.00 C ATOM 0 H LEU B 133 18.228 14.057 -3.756 1.00 0.00 H new ATOM 0 HA LEU B 133 16.826 16.071 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.171 13.751 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU B 133 14.939 14.985 -3.699 1.00 0.00 H new ATOM 0 HG LEU B 133 15.584 14.699 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU B 133 15.974 12.306 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU B 133 17.320 12.993 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.112 11.961 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU B 133 13.662 13.117 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU B 133 13.805 12.794 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU B 133 13.335 14.413 -5.283 1.00 0.00 H new ATOM 2095 N PHE B 134 17.275 16.436 -2.102 1.00 0.00 N ATOM 2096 CA PHE B 134 17.136 17.427 -1.000 1.00 0.00 C ATOM 2097 C PHE B 134 18.234 17.212 0.042 1.00 0.00 C ATOM 2098 O PHE B 134 19.242 17.893 0.052 1.00 0.00 O ATOM 2099 CB PHE B 134 15.767 17.241 -0.333 1.00 0.00 C ATOM 2100 CG PHE B 134 14.730 18.049 -1.071 1.00 0.00 C ATOM 2101 CD1 PHE B 134 14.552 19.408 -0.773 1.00 0.00 C ATOM 2102 CD2 PHE B 134 13.951 17.442 -2.059 1.00 0.00 C ATOM 2103 CE1 PHE B 134 13.592 20.155 -1.464 1.00 0.00 C ATOM 2104 CE2 PHE B 134 12.991 18.191 -2.754 1.00 0.00 C ATOM 2105 CZ PHE B 134 12.811 19.548 -2.454 1.00 0.00 C ATOM 0 H PHE B 134 17.802 15.595 -1.866 1.00 0.00 H new ATOM 0 HA PHE B 134 17.224 18.434 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.490 16.187 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE B 134 15.814 17.556 0.710 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.156 19.877 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.088 16.395 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE B 134 13.453 21.201 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE B 134 12.391 17.723 -3.520 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.070 20.125 -2.987 1.00 0.00 H new ATOM 2115 N GLY B 135 18.038 16.274 0.919 1.00 0.00 N ATOM 2116 CA GLY B 135 19.056 16.005 1.976 1.00 0.00 C ATOM 2117 C GLY B 135 18.794 16.907 3.181 1.00 0.00 C ATOM 2118 O GLY B 135 19.701 17.305 3.885 1.00 0.00 O ATOM 0 H GLY B 135 17.212 15.676 0.953 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.015 14.958 2.277 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.057 16.185 1.585 1.00 0.00 H new ATOM 2122 N ASP B 136 17.554 17.232 3.425 1.00 0.00 N ATOM 2123 CA ASP B 136 17.227 18.109 4.584 1.00 0.00 C ATOM 2124 C ASP B 136 18.151 19.332 4.578 1.00 0.00 C ATOM 2125 O ASP B 136 18.776 19.654 5.566 1.00 0.00 O ATOM 2126 CB ASP B 136 17.425 17.329 5.886 1.00 0.00 C ATOM 2127 CG ASP B 136 16.293 16.315 6.049 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.573 16.098 5.087 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.163 15.773 7.134 1.00 0.00 O ATOM 0 H ASP B 136 16.753 16.928 2.871 1.00 0.00 H new ATOM 0 HA ASP B 136 16.190 18.436 4.509 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.387 16.817 5.873 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.439 18.014 6.734 1.00 0.00 H new ATOM 2134 N VAL B 137 18.237 20.014 3.469 1.00 0.00 N ATOM 2135 CA VAL B 137 19.119 21.213 3.399 1.00 0.00 C ATOM 2136 C VAL B 137 18.719 22.070 2.197 1.00 0.00 C ATOM 2137 O VAL B 137 19.147 21.879 2.116 1.00 0.00 O ATOM 2138 CB VAL B 137 20.574 20.769 3.251 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.753 20.052 1.911 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.488 21.996 3.296 1.00 0.00 C ATOM 0 H VAL B 137 17.735 19.793 2.609 1.00 0.00 H new ATOM 0 HA VAL B 137 19.011 21.798 4.313 1.00 0.00 H new ATOM 0 HB VAL B 137 20.832 20.092 4.065 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.790 19.735 1.804 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.101 19.179 1.875 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.495 20.731 1.098 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.526 21.681 3.191 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.230 22.672 2.481 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.360 22.510 4.249 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.624 -5.971 -4.746 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.022 6.078 -5.708 1.00 0.00 ZN