USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -6.97! C(o=-43!,f=-51!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -19.4! C(o=-43!,f=-44!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -16! C(o=-44!,f=-43!) USER MOD Set 1.4: A 109 TYR OH : rot -85:sc= -0.268 USER MOD Set 2.1: A 44 CYS SG : rot 23:sc= -2.53! USER MOD Set 2.2: A 69 SER OG : rot -178:sc= -2.06! USER MOD Set 3.1: A 1 VAL N :NH3+ -175:sc= -5.44! (180deg=-5.66!) USER MOD Set 3.2: A 80 TYR OH : rot 120:sc= -0.236 USER MOD Single : A 4 SER OG : rot -64:sc= 0.532 USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.616 (180deg=-2.37!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 36:sc= -0.17 USER MOD Single : A 15 THR OG1 : rot 9:sc= 0.673 USER MOD Single : A 19 GLN :FLIP amide:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : A 26 MET CE :methyl 151:sc= -6.71! (180deg=-8.18!) USER MOD Single : A 28 MET CE :methyl -127:sc= -7.62! (180deg=-18.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -7.2! C(o=-7.2!,f=-10!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 13:sc= 1.19 USER MOD Single : A 50 THR OG1 : rot -28:sc= -1.89! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.212 USER MOD Single : A 63 TYR OH : rot -22:sc= -6.91! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -7.17! C(o=-7.2!,f=-11!) USER MOD Single : A 70 SER OG : rot -113:sc= 0.0385 USER MOD Single : A 71 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.33) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 120:sc= -3.58! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 84 MET CE :methyl -108:sc= -4.09 (180deg=-9.89!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 51:sc= -0.0137! USER MOD Single : A 94 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 99 GLN : amide:sc= -1.05 K(o=-1,f=-3.6!) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.248 F(o=-1.2,f=-0.25) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.45) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.137 -16.415 -27.055 1.00 0.00 N ATOM 2 CA VAL A 1 13.306 -16.616 -27.957 1.00 0.00 C ATOM 3 C VAL A 1 14.025 -15.280 -28.162 1.00 0.00 C ATOM 4 O VAL A 1 13.521 -14.393 -28.820 1.00 0.00 O ATOM 5 CB VAL A 1 12.827 -17.150 -29.309 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.939 -17.980 -29.952 1.00 0.00 C ATOM 7 CG2 VAL A 1 11.592 -18.031 -29.101 1.00 0.00 C ATOM 0 H1 VAL A 1 11.697 -17.334 -26.846 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.454 -15.974 -26.168 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.442 -15.797 -27.520 1.00 0.00 H new ATOM 0 HA VAL A 1 13.991 -17.335 -27.507 1.00 0.00 H new ATOM 0 HB VAL A 1 12.573 -16.314 -29.960 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.598 -18.361 -30.915 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.820 -17.356 -30.100 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.192 -18.816 -29.300 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.250 -18.412 -30.064 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.847 -18.867 -28.450 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.798 -17.442 -28.641 1.00 0.00 H new ATOM 19 N GLU A 2 15.199 -15.140 -27.601 1.00 0.00 N ATOM 20 CA GLU A 2 15.973 -13.871 -27.750 1.00 0.00 C ATOM 21 C GLU A 2 15.027 -12.666 -27.737 1.00 0.00 C ATOM 22 O GLU A 2 15.072 -11.823 -28.611 1.00 0.00 O ATOM 23 CB GLU A 2 16.760 -13.899 -29.065 1.00 0.00 C ATOM 24 CG GLU A 2 15.794 -13.922 -30.253 1.00 0.00 C ATOM 25 CD GLU A 2 15.431 -15.370 -30.588 1.00 0.00 C ATOM 26 OE1 GLU A 2 15.974 -16.258 -29.953 1.00 0.00 O ATOM 27 OE2 GLU A 2 14.615 -15.566 -31.474 1.00 0.00 O ATOM 0 H GLU A 2 15.659 -15.858 -27.041 1.00 0.00 H new ATOM 0 HA GLU A 2 16.667 -13.780 -26.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.408 -13.025 -29.129 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.405 -14.777 -29.093 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.894 -13.356 -30.014 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.252 -13.442 -31.117 1.00 0.00 H new ATOM 34 N LEU A 3 14.172 -12.578 -26.752 1.00 0.00 N ATOM 35 CA LEU A 3 13.227 -11.427 -26.688 1.00 0.00 C ATOM 36 C LEU A 3 13.976 -10.134 -27.025 1.00 0.00 C ATOM 37 O LEU A 3 13.420 -9.207 -27.576 1.00 0.00 O ATOM 38 CB LEU A 3 12.613 -11.338 -25.278 1.00 0.00 C ATOM 39 CG LEU A 3 13.554 -10.604 -24.309 1.00 0.00 C ATOM 40 CD1 LEU A 3 12.771 -10.195 -23.060 1.00 0.00 C ATOM 41 CD2 LEU A 3 14.702 -11.528 -23.902 1.00 0.00 C ATOM 0 H LEU A 3 14.088 -13.252 -25.991 1.00 0.00 H new ATOM 0 HA LEU A 3 12.424 -11.571 -27.411 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.657 -10.816 -25.327 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.410 -12.341 -24.903 1.00 0.00 H new ATOM 0 HG LEU A 3 13.959 -9.719 -24.800 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.434 -9.674 -22.369 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.952 -9.535 -23.344 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.369 -11.085 -22.575 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.366 -11.003 -23.215 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.299 -12.414 -23.411 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.260 -11.827 -24.789 1.00 0.00 H new ATOM 53 N SER A 4 15.238 -10.070 -26.695 1.00 0.00 N ATOM 54 CA SER A 4 16.031 -8.840 -26.988 1.00 0.00 C ATOM 55 C SER A 4 16.089 -8.604 -28.500 1.00 0.00 C ATOM 56 O SER A 4 17.007 -9.030 -29.168 1.00 0.00 O ATOM 57 CB SER A 4 17.450 -9.009 -26.447 1.00 0.00 C ATOM 58 OG SER A 4 18.318 -8.099 -27.110 1.00 0.00 O ATOM 0 H SER A 4 15.756 -10.818 -26.234 1.00 0.00 H new ATOM 0 HA SER A 4 15.554 -7.985 -26.509 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.466 -8.827 -25.372 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.791 -10.033 -26.602 1.00 0.00 H new ATOM 0 HG SER A 4 18.356 -8.320 -28.064 1.00 0.00 H new ATOM 64 N LYS A 5 15.114 -7.920 -29.036 1.00 0.00 N ATOM 65 CA LYS A 5 15.099 -7.639 -30.502 1.00 0.00 C ATOM 66 C LYS A 5 13.729 -7.079 -30.880 1.00 0.00 C ATOM 67 O LYS A 5 13.498 -5.887 -30.825 1.00 0.00 O ATOM 68 CB LYS A 5 15.356 -8.932 -31.284 1.00 0.00 C ATOM 69 CG LYS A 5 15.135 -8.680 -32.778 1.00 0.00 C ATOM 70 CD LYS A 5 15.473 -9.948 -33.565 1.00 0.00 C ATOM 71 CE LYS A 5 16.839 -9.785 -34.235 1.00 0.00 C ATOM 72 NZ LYS A 5 16.888 -8.480 -34.952 1.00 0.00 N ATOM 0 H LYS A 5 14.321 -7.541 -28.518 1.00 0.00 H new ATOM 0 HA LYS A 5 15.879 -6.918 -30.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.375 -9.278 -31.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.688 -9.719 -30.935 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.100 -8.392 -32.960 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.760 -7.853 -33.115 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.484 -10.810 -32.898 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.707 -10.136 -34.318 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.631 -9.831 -33.487 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.013 -10.603 -34.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.466 -8.577 -35.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.924 -8.192 -35.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.308 -7.759 -34.332 1.00 0.00 H new ATOM 86 N LYS A 6 12.811 -7.929 -31.250 1.00 0.00 N ATOM 87 CA LYS A 6 11.454 -7.440 -31.613 1.00 0.00 C ATOM 88 C LYS A 6 10.704 -7.061 -30.334 1.00 0.00 C ATOM 89 O LYS A 6 9.617 -6.521 -30.376 1.00 0.00 O ATOM 90 CB LYS A 6 10.690 -8.547 -32.344 1.00 0.00 C ATOM 91 CG LYS A 6 11.302 -8.762 -33.729 1.00 0.00 C ATOM 92 CD LYS A 6 10.644 -7.811 -34.731 1.00 0.00 C ATOM 93 CE LYS A 6 9.960 -8.624 -35.832 1.00 0.00 C ATOM 94 NZ LYS A 6 10.260 -8.014 -37.159 1.00 0.00 N ATOM 0 H LYS A 6 12.943 -8.938 -31.316 1.00 0.00 H new ATOM 0 HA LYS A 6 11.537 -6.570 -32.264 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.731 -9.472 -31.769 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.638 -8.276 -32.438 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.377 -8.584 -33.695 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.160 -9.795 -34.045 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.915 -7.179 -34.224 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.393 -7.148 -35.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.309 -9.656 -35.807 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.883 -8.648 -35.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.795 -8.566 -37.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.906 -7.036 -37.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.288 -8.014 -37.316 1.00 0.00 H new ATOM 108 N VAL A 7 11.281 -7.340 -29.196 1.00 0.00 N ATOM 109 CA VAL A 7 10.611 -7.000 -27.911 1.00 0.00 C ATOM 110 C VAL A 7 11.319 -5.807 -27.267 1.00 0.00 C ATOM 111 O VAL A 7 10.803 -4.709 -27.236 1.00 0.00 O ATOM 112 CB VAL A 7 10.685 -8.200 -26.967 1.00 0.00 C ATOM 113 CG1 VAL A 7 9.880 -7.904 -25.703 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.109 -9.435 -27.664 1.00 0.00 C ATOM 0 H VAL A 7 12.191 -7.791 -29.103 1.00 0.00 H new ATOM 0 HA VAL A 7 9.568 -6.747 -28.101 1.00 0.00 H new ATOM 0 HB VAL A 7 11.725 -8.388 -26.699 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.932 -8.759 -25.030 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.292 -7.026 -25.207 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.840 -7.716 -25.970 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.162 -10.291 -26.991 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.069 -9.249 -27.933 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.685 -9.646 -28.565 1.00 0.00 H new ATOM 124 N THR A 8 12.496 -6.017 -26.744 1.00 0.00 N ATOM 125 CA THR A 8 13.236 -4.898 -26.095 1.00 0.00 C ATOM 126 C THR A 8 13.223 -3.673 -27.010 1.00 0.00 C ATOM 127 O THR A 8 13.264 -2.548 -26.551 1.00 0.00 O ATOM 128 CB THR A 8 14.682 -5.325 -25.833 1.00 0.00 C ATOM 129 OG1 THR A 8 15.305 -5.666 -27.064 1.00 0.00 O ATOM 130 CG2 THR A 8 14.697 -6.535 -24.898 1.00 0.00 C ATOM 0 H THR A 8 12.978 -6.916 -26.738 1.00 0.00 H new ATOM 0 HA THR A 8 12.754 -4.647 -25.150 1.00 0.00 H new ATOM 0 HB THR A 8 15.225 -4.503 -25.367 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.232 -5.938 -26.897 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.727 -6.838 -24.712 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.220 -6.271 -23.954 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.154 -7.359 -25.361 1.00 0.00 H new ATOM 138 N GLY A 9 13.170 -3.879 -28.299 1.00 0.00 N ATOM 139 CA GLY A 9 13.155 -2.722 -29.242 1.00 0.00 C ATOM 140 C GLY A 9 12.234 -1.628 -28.698 1.00 0.00 C ATOM 141 O GLY A 9 12.592 -0.467 -28.653 1.00 0.00 O ATOM 0 H GLY A 9 13.136 -4.798 -28.740 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.164 -2.331 -29.370 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.811 -3.045 -30.225 1.00 0.00 H new ATOM 145 N LYS A 10 11.051 -1.988 -28.280 1.00 0.00 N ATOM 146 CA LYS A 10 10.109 -0.970 -27.737 1.00 0.00 C ATOM 147 C LYS A 10 9.345 -1.560 -26.548 1.00 0.00 C ATOM 148 O LYS A 10 9.333 -0.999 -25.473 1.00 0.00 O ATOM 149 CB LYS A 10 9.117 -0.558 -28.827 1.00 0.00 C ATOM 150 CG LYS A 10 9.884 -0.158 -30.090 1.00 0.00 C ATOM 151 CD LYS A 10 9.106 0.928 -30.837 1.00 0.00 C ATOM 152 CE LYS A 10 7.696 0.422 -31.151 1.00 0.00 C ATOM 153 NZ LYS A 10 7.429 0.571 -32.609 1.00 0.00 N ATOM 0 H LYS A 10 10.696 -2.944 -28.291 1.00 0.00 H new ATOM 0 HA LYS A 10 10.672 -0.096 -27.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.438 -1.382 -29.046 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.505 0.275 -28.481 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.876 0.207 -29.825 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.025 -1.027 -30.733 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.053 1.833 -30.232 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.623 1.191 -31.760 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.599 -0.623 -30.858 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.960 0.984 -30.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.471 0.227 -32.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.505 1.573 -32.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.124 0.016 -33.148 1.00 0.00 H new ATOM 167 N LEU A 11 8.706 -2.687 -26.745 1.00 0.00 N ATOM 168 CA LEU A 11 7.927 -3.341 -25.645 1.00 0.00 C ATOM 169 C LEU A 11 6.542 -2.697 -25.531 1.00 0.00 C ATOM 170 O LEU A 11 5.548 -3.375 -25.364 1.00 0.00 O ATOM 171 CB LEU A 11 8.664 -3.213 -24.308 1.00 0.00 C ATOM 172 CG LEU A 11 10.099 -3.713 -24.465 1.00 0.00 C ATOM 173 CD1 LEU A 11 10.857 -3.511 -23.154 1.00 0.00 C ATOM 174 CD2 LEU A 11 10.080 -5.203 -24.812 1.00 0.00 C ATOM 0 H LEU A 11 8.690 -3.189 -27.633 1.00 0.00 H new ATOM 0 HA LEU A 11 7.818 -4.399 -25.884 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.664 -2.174 -23.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.149 -3.790 -23.540 1.00 0.00 H new ATOM 0 HG LEU A 11 10.593 -3.155 -25.261 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.881 -3.868 -23.267 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.868 -2.451 -22.900 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.364 -4.070 -22.359 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.102 -5.563 -24.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.586 -5.756 -24.013 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.538 -5.352 -25.746 1.00 0.00 H new ATOM 186 N ASP A 12 6.461 -1.397 -25.617 1.00 0.00 N ATOM 187 CA ASP A 12 5.135 -0.727 -25.509 1.00 0.00 C ATOM 188 C ASP A 12 5.278 0.754 -25.863 1.00 0.00 C ATOM 189 O ASP A 12 5.021 1.164 -26.978 1.00 0.00 O ATOM 190 CB ASP A 12 4.609 -0.862 -24.079 1.00 0.00 C ATOM 191 CG ASP A 12 3.352 -1.734 -24.077 1.00 0.00 C ATOM 192 OD1 ASP A 12 2.654 -1.736 -25.078 1.00 0.00 O ATOM 193 OD2 ASP A 12 3.109 -2.386 -23.074 1.00 0.00 O ATOM 0 H ASP A 12 7.254 -0.771 -25.757 1.00 0.00 H new ATOM 0 HA ASP A 12 4.435 -1.198 -26.199 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.373 -1.305 -23.440 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.382 0.122 -23.669 1.00 0.00 H new ATOM 198 N LYS A 13 5.683 1.562 -24.922 1.00 0.00 N ATOM 199 CA LYS A 13 5.839 3.016 -25.207 1.00 0.00 C ATOM 200 C LYS A 13 4.458 3.665 -25.301 1.00 0.00 C ATOM 201 O LYS A 13 3.616 3.246 -26.069 1.00 0.00 O ATOM 202 CB LYS A 13 6.583 3.201 -26.532 1.00 0.00 C ATOM 203 CG LYS A 13 7.648 4.287 -26.372 1.00 0.00 C ATOM 204 CD LYS A 13 8.858 3.712 -25.633 1.00 0.00 C ATOM 205 CE LYS A 13 9.544 2.667 -26.514 1.00 0.00 C ATOM 206 NZ LYS A 13 10.985 3.017 -26.669 1.00 0.00 N ATOM 0 H LYS A 13 5.912 1.279 -23.969 1.00 0.00 H new ATOM 0 HA LYS A 13 6.408 3.485 -24.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.048 2.263 -26.834 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.882 3.478 -27.319 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.950 4.661 -27.350 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.239 5.133 -25.819 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.558 4.509 -25.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.542 3.260 -24.693 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.445 1.678 -26.067 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.062 2.626 -27.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.452 2.307 -27.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.069 3.954 -27.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.440 3.035 -25.734 1.00 0.00 H new ATOM 220 N THR A 14 4.222 4.685 -24.523 1.00 0.00 N ATOM 221 CA THR A 14 2.898 5.363 -24.563 1.00 0.00 C ATOM 222 C THR A 14 1.787 4.318 -24.486 1.00 0.00 C ATOM 223 O THR A 14 0.934 4.235 -25.346 1.00 0.00 O ATOM 224 CB THR A 14 2.773 6.162 -25.860 1.00 0.00 C ATOM 225 OG1 THR A 14 3.131 5.340 -26.963 1.00 0.00 O ATOM 226 CG2 THR A 14 3.708 7.369 -25.793 1.00 0.00 C ATOM 0 H THR A 14 4.891 5.078 -23.861 1.00 0.00 H new ATOM 0 HA THR A 14 2.809 6.042 -23.715 1.00 0.00 H new ATOM 0 HB THR A 14 1.745 6.501 -25.987 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.831 4.422 -26.798 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.625 7.945 -26.715 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.431 7.997 -24.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.736 7.027 -25.670 1.00 0.00 H new ATOM 234 N THR A 15 1.795 3.520 -23.454 1.00 0.00 N ATOM 235 CA THR A 15 0.742 2.477 -23.308 1.00 0.00 C ATOM 236 C THR A 15 0.620 2.086 -21.831 1.00 0.00 C ATOM 237 O THR A 15 1.432 1.337 -21.324 1.00 0.00 O ATOM 238 CB THR A 15 1.129 1.247 -24.131 1.00 0.00 C ATOM 239 OG1 THR A 15 0.983 1.537 -25.513 1.00 0.00 O ATOM 240 CG2 THR A 15 0.221 0.074 -23.756 1.00 0.00 C ATOM 0 H THR A 15 2.487 3.546 -22.705 1.00 0.00 H new ATOM 0 HA THR A 15 -0.212 2.866 -23.663 1.00 0.00 H new ATOM 0 HB THR A 15 2.166 0.983 -23.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.801 2.493 -25.629 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.497 -0.802 -24.343 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.334 -0.149 -22.695 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.817 0.337 -23.963 1.00 0.00 H new ATOM 248 N PRO A 16 -0.390 2.608 -21.180 1.00 0.00 N ATOM 249 CA PRO A 16 -0.639 2.330 -19.754 1.00 0.00 C ATOM 250 C PRO A 16 -1.264 0.942 -19.579 1.00 0.00 C ATOM 251 O PRO A 16 -2.466 0.798 -19.473 1.00 0.00 O ATOM 252 CB PRO A 16 -1.619 3.431 -19.340 1.00 0.00 C ATOM 253 CG PRO A 16 -2.304 3.917 -20.639 1.00 0.00 C ATOM 254 CD PRO A 16 -1.377 3.516 -21.801 1.00 0.00 C ATOM 0 HA PRO A 16 0.269 2.328 -19.152 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.355 3.050 -18.632 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.097 4.250 -18.846 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.287 3.461 -20.753 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.454 4.996 -20.618 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.930 3.019 -22.598 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.894 4.387 -22.244 1.00 0.00 H new ATOM 262 N GLY A 17 -0.452 -0.078 -19.544 1.00 0.00 N ATOM 263 CA GLY A 17 -0.985 -1.459 -19.372 1.00 0.00 C ATOM 264 C GLY A 17 0.174 -2.403 -19.055 1.00 0.00 C ATOM 265 O GLY A 17 1.130 -2.022 -18.411 1.00 0.00 O ATOM 0 H GLY A 17 0.563 -0.014 -19.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.720 -1.482 -18.567 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.496 -1.781 -20.279 1.00 0.00 H new ATOM 269 N ILE A 18 0.109 -3.626 -19.503 1.00 0.00 N ATOM 270 CA ILE A 18 1.227 -4.571 -19.222 1.00 0.00 C ATOM 271 C ILE A 18 1.196 -5.722 -20.233 1.00 0.00 C ATOM 272 O ILE A 18 0.151 -6.165 -20.667 1.00 0.00 O ATOM 273 CB ILE A 18 1.132 -5.098 -17.768 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.408 -6.608 -17.699 1.00 0.00 C ATOM 275 CG2 ILE A 18 -0.252 -4.827 -17.184 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.195 -7.384 -18.220 1.00 0.00 C ATOM 0 H ILE A 18 -0.663 -4.010 -20.047 1.00 0.00 H new ATOM 0 HA ILE A 18 2.178 -4.048 -19.325 1.00 0.00 H new ATOM 0 HB ILE A 18 1.888 -4.570 -17.188 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.289 -6.853 -18.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.624 -6.900 -16.671 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.296 -5.205 -16.163 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.442 -3.754 -17.182 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.007 -5.328 -17.790 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.398 -8.454 -18.168 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.677 -7.150 -17.609 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.001 -7.102 -19.254 1.00 0.00 H new ATOM 288 N GLN A 19 2.350 -6.205 -20.598 1.00 0.00 N ATOM 289 CA GLN A 19 2.432 -7.331 -21.569 1.00 0.00 C ATOM 290 C GLN A 19 3.199 -8.480 -20.915 1.00 0.00 C ATOM 291 O GLN A 19 4.131 -8.262 -20.169 1.00 0.00 O ATOM 292 CB GLN A 19 3.180 -6.862 -22.818 1.00 0.00 C ATOM 293 CG GLN A 19 3.363 -8.035 -23.782 1.00 0.00 C ATOM 294 CD GLN A 19 4.672 -7.867 -24.559 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.256 -6.698 -24.603 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 5.172 -8.814 -25.135 1.00 0.00 N flip ATOM 0 H GLN A 19 3.250 -5.864 -20.261 1.00 0.00 H new ATOM 0 HA GLN A 19 1.433 -7.663 -21.850 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.625 -6.061 -23.306 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.151 -6.453 -22.540 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.376 -8.974 -23.229 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.522 -8.084 -24.474 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.719 -9.727 -25.103 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.044 -8.695 -25.650 1.00 0.00 H new ATOM 305 N ILE A 20 2.824 -9.702 -21.174 1.00 0.00 N ATOM 306 CA ILE A 20 3.556 -10.834 -20.541 1.00 0.00 C ATOM 307 C ILE A 20 4.265 -11.650 -21.619 1.00 0.00 C ATOM 308 O ILE A 20 4.113 -11.401 -22.797 1.00 0.00 O ATOM 309 CB ILE A 20 2.569 -11.725 -19.776 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.608 -10.838 -18.984 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.328 -12.633 -18.804 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.171 -11.166 -19.381 1.00 0.00 C ATOM 0 H ILE A 20 2.053 -9.964 -21.788 1.00 0.00 H new ATOM 0 HA ILE A 20 4.296 -10.442 -19.843 1.00 0.00 H new ATOM 0 HB ILE A 20 2.016 -12.341 -20.485 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.747 -10.997 -17.915 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.820 -9.787 -19.180 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.619 -13.262 -18.265 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.022 -13.263 -19.361 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.884 -12.021 -18.093 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.515 -10.534 -18.817 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.038 -10.985 -20.448 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.037 -12.213 -19.162 1.00 0.00 H new ATOM 324 N TRP A 21 5.033 -12.628 -21.226 1.00 0.00 N ATOM 325 CA TRP A 21 5.740 -13.469 -22.225 1.00 0.00 C ATOM 326 C TRP A 21 5.577 -14.930 -21.818 1.00 0.00 C ATOM 327 O TRP A 21 6.011 -15.339 -20.758 1.00 0.00 O ATOM 328 CB TRP A 21 7.231 -13.115 -22.265 1.00 0.00 C ATOM 329 CG TRP A 21 7.450 -11.933 -23.156 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.916 -11.983 -24.429 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.226 -10.527 -22.858 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.982 -10.690 -24.928 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.569 -9.758 -23.993 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.761 -9.852 -21.718 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.451 -8.366 -23.992 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.643 -8.456 -21.713 1.00 0.00 C ATOM 337 CH2 TRP A 21 6.987 -7.714 -22.848 1.00 0.00 C ATOM 0 H TRP A 21 5.200 -12.880 -20.252 1.00 0.00 H new ATOM 0 HA TRP A 21 5.318 -13.295 -23.215 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.588 -12.894 -21.259 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.806 -13.967 -22.628 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.190 -12.880 -24.965 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.297 -10.455 -25.869 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.492 -10.415 -20.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.717 -7.798 -24.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.285 -7.950 -20.829 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.894 -6.638 -22.839 1.00 0.00 H new ATOM 348 N ARG A 22 4.941 -15.717 -22.637 1.00 0.00 N ATOM 349 CA ARG A 22 4.737 -17.145 -22.274 1.00 0.00 C ATOM 350 C ARG A 22 6.011 -17.945 -22.547 1.00 0.00 C ATOM 351 O ARG A 22 6.569 -17.910 -23.626 1.00 0.00 O ATOM 352 CB ARG A 22 3.581 -17.727 -23.091 1.00 0.00 C ATOM 353 CG ARG A 22 3.868 -17.566 -24.585 1.00 0.00 C ATOM 354 CD ARG A 22 2.555 -17.300 -25.327 1.00 0.00 C ATOM 355 NE ARG A 22 2.339 -18.363 -26.348 1.00 0.00 N ATOM 356 CZ ARG A 22 1.458 -19.302 -26.136 1.00 0.00 C ATOM 357 NH1 ARG A 22 1.247 -19.736 -24.923 1.00 0.00 N ATOM 358 NH2 ARG A 22 0.789 -19.807 -27.135 1.00 0.00 N ATOM 0 H ARG A 22 4.555 -15.435 -23.538 1.00 0.00 H new ATOM 0 HA ARG A 22 4.498 -17.208 -21.212 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.447 -18.781 -22.849 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.651 -17.220 -22.834 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.564 -16.743 -24.747 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.343 -18.466 -24.975 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.723 -17.283 -24.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.587 -16.321 -25.806 1.00 0.00 H new ATOM 0 HE ARG A 22 2.880 -18.357 -27.213 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.771 -19.341 -24.142 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.559 -20.470 -24.756 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.954 -19.468 -28.083 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.101 -20.541 -26.969 1.00 0.00 H new ATOM 372 N ILE A 23 6.460 -18.677 -21.565 1.00 0.00 N ATOM 373 CA ILE A 23 7.681 -19.511 -21.728 1.00 0.00 C ATOM 374 C ILE A 23 7.218 -20.964 -21.950 1.00 0.00 C ATOM 375 O ILE A 23 7.864 -21.927 -21.592 1.00 0.00 O ATOM 376 CB ILE A 23 8.559 -19.328 -20.466 1.00 0.00 C ATOM 377 CG1 ILE A 23 9.688 -18.350 -20.797 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.170 -20.647 -19.986 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.459 -17.022 -20.072 1.00 0.00 C ATOM 0 H ILE A 23 6.025 -18.732 -20.644 1.00 0.00 H new ATOM 0 HA ILE A 23 8.289 -19.221 -22.585 1.00 0.00 H new ATOM 0 HB ILE A 23 7.924 -18.948 -19.666 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.647 -18.775 -20.501 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.732 -18.183 -21.873 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.777 -20.465 -19.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.373 -21.350 -19.743 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.796 -21.066 -20.774 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.267 -16.332 -20.313 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.509 -16.593 -20.390 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.438 -17.194 -18.996 1.00 0.00 H new ATOM 391 N GLU A 24 6.079 -21.106 -22.571 1.00 0.00 N ATOM 392 CA GLU A 24 5.521 -22.459 -22.852 1.00 0.00 C ATOM 393 C GLU A 24 6.547 -23.288 -23.615 1.00 0.00 C ATOM 394 O GLU A 24 7.547 -22.778 -24.079 1.00 0.00 O ATOM 395 CB GLU A 24 4.251 -22.319 -23.695 1.00 0.00 C ATOM 396 CG GLU A 24 4.448 -21.218 -24.739 1.00 0.00 C ATOM 397 CD GLU A 24 3.573 -21.508 -25.959 1.00 0.00 C ATOM 398 OE1 GLU A 24 2.541 -22.138 -25.788 1.00 0.00 O ATOM 399 OE2 GLU A 24 3.948 -21.097 -27.044 1.00 0.00 O ATOM 0 H GLU A 24 5.504 -20.331 -22.900 1.00 0.00 H new ATOM 0 HA GLU A 24 5.283 -22.955 -21.911 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.023 -23.264 -24.187 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.402 -22.080 -23.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.188 -20.249 -24.314 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.496 -21.166 -25.034 1.00 0.00 H new ATOM 406 N ASN A 25 6.311 -24.569 -23.738 1.00 0.00 N ATOM 407 CA ASN A 25 7.281 -25.438 -24.460 1.00 0.00 C ATOM 408 C ASN A 25 8.697 -25.048 -24.038 1.00 0.00 C ATOM 409 O ASN A 25 9.648 -25.211 -24.777 1.00 0.00 O ATOM 410 CB ASN A 25 7.111 -25.260 -25.972 1.00 0.00 C ATOM 411 CG ASN A 25 7.725 -23.931 -26.413 1.00 0.00 C ATOM 412 OD1 ASN A 25 8.893 -23.868 -26.739 1.00 0.00 O ATOM 413 ND2 ASN A 25 6.981 -22.860 -26.440 1.00 0.00 N ATOM 0 H ASN A 25 5.489 -25.048 -23.369 1.00 0.00 H new ATOM 0 HA ASN A 25 7.101 -26.484 -24.212 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.590 -26.085 -26.500 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.053 -25.286 -26.233 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.380 -21.969 -26.735 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.000 -22.914 -26.166 1.00 0.00 H new ATOM 420 N MET A 26 8.836 -24.532 -22.846 1.00 0.00 N ATOM 421 CA MET A 26 10.179 -24.123 -22.358 1.00 0.00 C ATOM 422 C MET A 26 10.864 -23.242 -23.406 1.00 0.00 C ATOM 423 O MET A 26 11.949 -23.543 -23.861 1.00 0.00 O ATOM 424 CB MET A 26 11.025 -25.374 -22.104 1.00 0.00 C ATOM 425 CG MET A 26 10.264 -26.326 -21.178 1.00 0.00 C ATOM 426 SD MET A 26 9.094 -27.310 -22.146 1.00 0.00 S ATOM 427 CE MET A 26 7.581 -26.567 -21.487 1.00 0.00 C ATOM 0 H MET A 26 8.072 -24.377 -22.189 1.00 0.00 H new ATOM 0 HA MET A 26 10.074 -23.558 -21.432 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.251 -25.871 -23.048 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.978 -25.096 -21.654 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.964 -26.981 -20.659 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.732 -25.759 -20.414 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.795 -26.613 -22.241 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.264 -27.113 -20.599 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.771 -25.526 -21.224 1.00 0.00 H new ATOM 437 N GLU A 27 10.247 -22.155 -23.797 1.00 0.00 N ATOM 438 CA GLU A 27 10.893 -21.278 -24.817 1.00 0.00 C ATOM 439 C GLU A 27 10.685 -19.803 -24.452 1.00 0.00 C ATOM 440 O GLU A 27 11.390 -19.258 -23.627 1.00 0.00 O ATOM 441 CB GLU A 27 10.291 -21.562 -26.194 1.00 0.00 C ATOM 442 CG GLU A 27 11.131 -22.624 -26.908 1.00 0.00 C ATOM 443 CD GLU A 27 12.569 -22.124 -27.051 1.00 0.00 C ATOM 444 OE1 GLU A 27 12.827 -21.384 -27.986 1.00 0.00 O ATOM 445 OE2 GLU A 27 13.389 -22.492 -26.225 1.00 0.00 O ATOM 0 H GLU A 27 9.337 -21.841 -23.459 1.00 0.00 H new ATOM 0 HA GLU A 27 11.962 -21.487 -24.841 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.262 -21.907 -26.089 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.262 -20.647 -26.786 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.113 -23.557 -26.344 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.709 -22.837 -27.890 1.00 0.00 H new ATOM 452 N MET A 28 9.732 -19.149 -25.064 1.00 0.00 N ATOM 453 CA MET A 28 9.496 -17.711 -24.754 1.00 0.00 C ATOM 454 C MET A 28 8.652 -17.090 -25.864 1.00 0.00 C ATOM 455 O MET A 28 8.830 -17.382 -27.030 1.00 0.00 O ATOM 456 CB MET A 28 10.838 -16.978 -24.671 1.00 0.00 C ATOM 457 CG MET A 28 11.106 -16.553 -23.227 1.00 0.00 C ATOM 458 SD MET A 28 9.732 -15.537 -22.634 1.00 0.00 S ATOM 459 CE MET A 28 9.912 -14.190 -23.829 1.00 0.00 C ATOM 0 H MET A 28 9.108 -19.550 -25.764 1.00 0.00 H new ATOM 0 HA MET A 28 8.975 -17.625 -23.801 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.640 -17.627 -25.024 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.826 -16.103 -25.321 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.222 -17.432 -22.593 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.039 -15.992 -23.169 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.976 -13.240 -23.299 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.820 -14.341 -24.414 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.049 -14.177 -24.495 1.00 0.00 H new ATOM 469 N VAL A 29 7.728 -16.239 -25.516 1.00 0.00 N ATOM 470 CA VAL A 29 6.872 -15.611 -26.562 1.00 0.00 C ATOM 471 C VAL A 29 6.260 -14.317 -26.013 1.00 0.00 C ATOM 472 O VAL A 29 5.980 -14.223 -24.841 1.00 0.00 O ATOM 473 CB VAL A 29 5.785 -16.620 -26.964 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.435 -15.930 -27.206 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.229 -17.320 -28.246 1.00 0.00 C ATOM 0 H VAL A 29 7.529 -15.952 -24.558 1.00 0.00 H new ATOM 0 HA VAL A 29 7.459 -15.353 -27.443 1.00 0.00 H new ATOM 0 HB VAL A 29 5.654 -17.335 -26.152 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.691 -16.675 -27.488 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.116 -15.426 -26.294 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.539 -15.199 -28.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.470 -18.041 -28.548 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.363 -16.581 -29.036 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.172 -17.838 -28.070 1.00 0.00 H new ATOM 485 N PRO A 30 6.081 -13.356 -26.887 1.00 0.00 N ATOM 486 CA PRO A 30 5.512 -12.042 -26.527 1.00 0.00 C ATOM 487 C PRO A 30 3.989 -12.111 -26.361 1.00 0.00 C ATOM 488 O PRO A 30 3.244 -11.849 -27.283 1.00 0.00 O ATOM 489 CB PRO A 30 5.891 -11.151 -27.713 1.00 0.00 C ATOM 490 CG PRO A 30 6.142 -12.099 -28.910 1.00 0.00 C ATOM 491 CD PRO A 30 6.435 -13.489 -28.317 1.00 0.00 C ATOM 0 HA PRO A 30 5.889 -11.672 -25.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.092 -10.444 -27.938 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.782 -10.564 -27.489 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.272 -12.133 -29.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.981 -11.750 -29.511 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.841 -14.263 -28.804 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.482 -13.763 -28.444 1.00 0.00 H new ATOM 499 N VAL A 31 3.527 -12.438 -25.185 1.00 0.00 N ATOM 500 CA VAL A 31 2.056 -12.499 -24.944 1.00 0.00 C ATOM 501 C VAL A 31 1.491 -11.071 -24.970 1.00 0.00 C ATOM 502 O VAL A 31 1.803 -10.274 -24.102 1.00 0.00 O ATOM 503 CB VAL A 31 1.789 -13.117 -23.569 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.326 -12.894 -23.183 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.075 -14.618 -23.617 1.00 0.00 C ATOM 0 H VAL A 31 4.107 -12.666 -24.377 1.00 0.00 H new ATOM 0 HA VAL A 31 1.581 -13.106 -25.715 1.00 0.00 H new ATOM 0 HB VAL A 31 2.438 -12.646 -22.831 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.137 -13.334 -22.204 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.118 -11.825 -23.146 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.321 -13.364 -23.923 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.884 -15.056 -22.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.428 -15.088 -24.357 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.117 -14.781 -23.891 1.00 0.00 H new ATOM 515 N PRO A 32 0.684 -10.783 -25.963 1.00 0.00 N ATOM 516 CA PRO A 32 0.073 -9.451 -26.126 1.00 0.00 C ATOM 517 C PRO A 32 -1.088 -9.261 -25.146 1.00 0.00 C ATOM 518 O PRO A 32 -1.187 -9.942 -24.144 1.00 0.00 O ATOM 519 CB PRO A 32 -0.426 -9.458 -27.574 1.00 0.00 C ATOM 520 CG PRO A 32 -0.585 -10.943 -27.973 1.00 0.00 C ATOM 521 CD PRO A 32 0.301 -11.755 -27.009 1.00 0.00 C ATOM 0 HA PRO A 32 0.769 -8.637 -25.924 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.375 -8.929 -27.660 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.282 -8.953 -28.231 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.627 -11.255 -27.898 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.279 -11.101 -29.007 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.241 -12.601 -26.587 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.177 -12.159 -27.517 1.00 0.00 H new ATOM 529 N THR A 33 -1.964 -8.334 -25.426 1.00 0.00 N ATOM 530 CA THR A 33 -3.116 -8.092 -24.509 1.00 0.00 C ATOM 531 C THR A 33 -4.278 -8.998 -24.910 1.00 0.00 C ATOM 532 O THR A 33 -5.216 -9.192 -24.162 1.00 0.00 O ATOM 533 CB THR A 33 -3.573 -6.628 -24.608 1.00 0.00 C ATOM 534 OG1 THR A 33 -4.727 -6.545 -25.433 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.462 -5.774 -25.215 1.00 0.00 C ATOM 0 H THR A 33 -1.932 -7.734 -26.250 1.00 0.00 H new ATOM 0 HA THR A 33 -2.805 -8.306 -23.486 1.00 0.00 H new ATOM 0 HB THR A 33 -3.806 -6.261 -23.608 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.019 -5.611 -25.494 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.794 -4.738 -25.281 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.574 -5.830 -24.585 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.223 -6.143 -26.212 1.00 0.00 H new ATOM 543 N LYS A 34 -4.234 -9.541 -26.092 1.00 0.00 N ATOM 544 CA LYS A 34 -5.348 -10.417 -26.538 1.00 0.00 C ATOM 545 C LYS A 34 -5.059 -11.870 -26.154 1.00 0.00 C ATOM 546 O LYS A 34 -5.650 -12.787 -26.687 1.00 0.00 O ATOM 547 CB LYS A 34 -5.503 -10.310 -28.056 1.00 0.00 C ATOM 548 CG LYS A 34 -4.215 -10.779 -28.735 1.00 0.00 C ATOM 549 CD LYS A 34 -3.986 -9.967 -30.011 1.00 0.00 C ATOM 550 CE LYS A 34 -4.649 -10.676 -31.194 1.00 0.00 C ATOM 551 NZ LYS A 34 -4.228 -10.022 -32.465 1.00 0.00 N ATOM 0 H LYS A 34 -3.478 -9.417 -26.766 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.270 -10.098 -26.052 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.344 -10.917 -28.390 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.721 -9.280 -28.338 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.370 -10.658 -28.058 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.283 -11.840 -28.974 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.399 -8.965 -29.896 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.918 -9.852 -30.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.368 -11.729 -31.204 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.734 -10.636 -31.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.679 -10.504 -33.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.517 -9.023 -32.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.194 -10.082 -32.560 1.00 0.00 H new ATOM 565 N SER A 35 -4.151 -12.096 -25.241 1.00 0.00 N ATOM 566 CA SER A 35 -3.837 -13.501 -24.848 1.00 0.00 C ATOM 567 C SER A 35 -3.548 -13.588 -23.345 1.00 0.00 C ATOM 568 O SER A 35 -3.179 -14.629 -22.840 1.00 0.00 O ATOM 569 CB SER A 35 -2.611 -13.980 -25.625 1.00 0.00 C ATOM 570 OG SER A 35 -2.911 -13.996 -27.015 1.00 0.00 O ATOM 0 H SER A 35 -3.618 -11.376 -24.754 1.00 0.00 H new ATOM 0 HA SER A 35 -4.697 -14.130 -25.078 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.764 -13.322 -25.432 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.322 -14.977 -25.292 1.00 0.00 H new ATOM 0 HG SER A 35 -2.126 -14.301 -27.516 1.00 0.00 H new ATOM 576 N TYR A 36 -3.710 -12.514 -22.620 1.00 0.00 N ATOM 577 CA TYR A 36 -3.438 -12.566 -21.154 1.00 0.00 C ATOM 578 C TYR A 36 -4.719 -12.943 -20.406 1.00 0.00 C ATOM 579 O TYR A 36 -5.810 -12.590 -20.805 1.00 0.00 O ATOM 580 CB TYR A 36 -2.941 -11.200 -20.671 1.00 0.00 C ATOM 581 CG TYR A 36 -4.093 -10.226 -20.609 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.421 -9.461 -21.731 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.831 -10.087 -19.428 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.487 -8.555 -21.675 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.898 -9.183 -19.370 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.226 -8.415 -20.494 1.00 0.00 C ATOM 587 OH TYR A 36 -7.276 -7.523 -20.436 1.00 0.00 O ATOM 0 H TYR A 36 -4.017 -11.609 -22.976 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.672 -13.316 -20.957 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.483 -11.297 -19.687 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.172 -10.824 -21.345 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.852 -9.569 -22.642 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.577 -10.678 -18.560 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.739 -7.964 -22.543 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.468 -9.078 -18.459 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.681 -7.552 -19.544 1.00 0.00 H new ATOM 597 N GLY A 37 -4.593 -13.660 -19.321 1.00 0.00 N ATOM 598 CA GLY A 37 -5.803 -14.057 -18.548 1.00 0.00 C ATOM 599 C GLY A 37 -5.690 -15.526 -18.135 1.00 0.00 C ATOM 600 O GLY A 37 -6.247 -15.945 -17.140 1.00 0.00 O ATOM 0 H GLY A 37 -3.706 -13.987 -18.938 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.905 -13.427 -17.664 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.698 -13.906 -19.152 1.00 0.00 H new ATOM 604 N ASN A 38 -4.974 -16.312 -18.891 1.00 0.00 N ATOM 605 CA ASN A 38 -4.828 -17.753 -18.541 1.00 0.00 C ATOM 606 C ASN A 38 -3.385 -18.196 -18.793 1.00 0.00 C ATOM 607 O ASN A 38 -2.967 -18.362 -19.922 1.00 0.00 O ATOM 608 CB ASN A 38 -5.770 -18.589 -19.412 1.00 0.00 C ATOM 609 CG ASN A 38 -7.108 -17.863 -19.573 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.145 -16.695 -19.904 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.218 -18.514 -19.356 1.00 0.00 N ATOM 0 H ASN A 38 -4.484 -16.019 -19.736 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.077 -17.896 -17.490 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.319 -18.761 -20.389 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.929 -19.567 -18.957 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.116 -18.042 -19.464 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.188 -19.495 -19.078 1.00 0.00 H new ATOM 618 N PHE A 39 -2.619 -18.394 -17.754 1.00 0.00 N ATOM 619 CA PHE A 39 -1.207 -18.831 -17.951 1.00 0.00 C ATOM 620 C PHE A 39 -0.986 -20.183 -17.268 1.00 0.00 C ATOM 621 O PHE A 39 -1.275 -20.357 -16.101 1.00 0.00 O ATOM 622 CB PHE A 39 -0.240 -17.794 -17.364 1.00 0.00 C ATOM 623 CG PHE A 39 -0.939 -16.935 -16.333 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.251 -17.463 -15.073 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.258 -15.604 -16.631 1.00 0.00 C ATOM 626 CE1 PHE A 39 -1.880 -16.660 -14.118 1.00 0.00 C ATOM 627 CE2 PHE A 39 -1.890 -14.807 -15.676 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.199 -15.335 -14.420 1.00 0.00 C ATOM 0 H PHE A 39 -2.908 -18.273 -16.783 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.015 -18.926 -19.020 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.610 -18.300 -16.907 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.155 -17.165 -18.162 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.006 -18.489 -14.840 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.015 -15.195 -17.600 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.119 -17.065 -13.146 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.140 -13.782 -15.908 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.686 -14.716 -13.681 1.00 0.00 H new ATOM 638 N TYR A 40 -0.479 -21.142 -17.994 1.00 0.00 N ATOM 639 CA TYR A 40 -0.240 -22.492 -17.404 1.00 0.00 C ATOM 640 C TYR A 40 0.499 -22.345 -16.067 1.00 0.00 C ATOM 641 O TYR A 40 1.579 -21.791 -16.004 1.00 0.00 O ATOM 642 CB TYR A 40 0.623 -23.317 -18.363 1.00 0.00 C ATOM 643 CG TYR A 40 -0.113 -23.567 -19.664 1.00 0.00 C ATOM 644 CD1 TYR A 40 -1.369 -22.985 -19.901 1.00 0.00 C ATOM 645 CD2 TYR A 40 0.469 -24.384 -20.641 1.00 0.00 C ATOM 646 CE1 TYR A 40 -2.035 -23.224 -21.109 1.00 0.00 C ATOM 647 CE2 TYR A 40 -0.199 -24.623 -21.848 1.00 0.00 C ATOM 648 CZ TYR A 40 -1.451 -24.043 -22.082 1.00 0.00 C ATOM 649 OH TYR A 40 -2.108 -24.278 -23.271 1.00 0.00 O ATOM 0 H TYR A 40 -0.218 -21.049 -18.976 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.196 -22.990 -17.242 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.557 -22.792 -18.563 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.885 -24.268 -17.899 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.821 -22.353 -19.151 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.436 -24.831 -20.463 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.001 -22.776 -21.290 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.252 -25.255 -22.599 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.564 -24.866 -23.835 1.00 0.00 H new ATOM 659 N GLU A 41 -0.069 -22.839 -15.000 1.00 0.00 N ATOM 660 CA GLU A 41 0.605 -22.727 -13.668 1.00 0.00 C ATOM 661 C GLU A 41 1.914 -23.513 -13.669 1.00 0.00 C ATOM 662 O GLU A 41 2.682 -23.447 -12.729 1.00 0.00 O ATOM 663 CB GLU A 41 -0.305 -23.284 -12.566 1.00 0.00 C ATOM 664 CG GLU A 41 -1.098 -24.480 -13.101 1.00 0.00 C ATOM 665 CD GLU A 41 -1.603 -25.323 -11.929 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.008 -24.741 -10.937 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.574 -26.537 -12.044 1.00 0.00 O ATOM 0 H GLU A 41 -0.971 -23.316 -14.990 1.00 0.00 H new ATOM 0 HA GLU A 41 0.811 -21.674 -13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.293 -23.588 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.988 -22.509 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.939 -24.133 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.468 -25.085 -13.753 1.00 0.00 H new ATOM 674 N GLY A 42 2.179 -24.262 -14.697 1.00 0.00 N ATOM 675 CA GLY A 42 3.440 -25.045 -14.721 1.00 0.00 C ATOM 676 C GLY A 42 4.392 -24.495 -15.785 1.00 0.00 C ATOM 677 O GLY A 42 4.830 -25.217 -16.657 1.00 0.00 O ATOM 0 H GLY A 42 1.582 -24.366 -15.517 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.918 -25.006 -13.742 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.221 -26.093 -14.927 1.00 0.00 H new ATOM 681 N ASP A 43 4.739 -23.236 -15.707 1.00 0.00 N ATOM 682 CA ASP A 43 5.682 -22.660 -16.714 1.00 0.00 C ATOM 683 C ASP A 43 6.275 -21.344 -16.186 1.00 0.00 C ATOM 684 O ASP A 43 6.535 -21.194 -15.009 1.00 0.00 O ATOM 685 CB ASP A 43 4.936 -22.386 -18.030 1.00 0.00 C ATOM 686 CG ASP A 43 4.208 -23.642 -18.503 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.158 -23.934 -17.959 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.713 -24.293 -19.403 1.00 0.00 O ATOM 0 H ASP A 43 4.412 -22.584 -14.994 1.00 0.00 H new ATOM 0 HA ASP A 43 6.486 -23.375 -16.891 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.221 -21.576 -17.888 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.641 -22.058 -18.793 1.00 0.00 H new ATOM 693 N CYS A 44 6.489 -20.389 -17.062 1.00 0.00 N ATOM 694 CA CYS A 44 7.061 -19.078 -16.641 1.00 0.00 C ATOM 695 C CYS A 44 6.446 -17.971 -17.503 1.00 0.00 C ATOM 696 O CYS A 44 6.263 -18.133 -18.694 1.00 0.00 O ATOM 697 CB CYS A 44 8.577 -19.107 -16.852 1.00 0.00 C ATOM 698 SG CYS A 44 9.376 -19.844 -15.405 1.00 0.00 S ATOM 0 H CYS A 44 6.288 -20.467 -18.059 1.00 0.00 H new ATOM 0 HA CYS A 44 6.842 -18.890 -15.590 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.819 -19.682 -17.746 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.952 -18.096 -17.012 1.00 0.00 H new ATOM 0 HG CYS A 44 8.521 -20.590 -14.770 1.00 0.00 H new ATOM 704 N TYR A 45 6.116 -16.852 -16.917 1.00 0.00 N ATOM 705 CA TYR A 45 5.502 -15.749 -17.715 1.00 0.00 C ATOM 706 C TYR A 45 6.119 -14.407 -17.316 1.00 0.00 C ATOM 707 O TYR A 45 5.837 -13.876 -16.263 1.00 0.00 O ATOM 708 CB TYR A 45 3.998 -15.705 -17.445 1.00 0.00 C ATOM 709 CG TYR A 45 3.310 -16.806 -18.213 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.532 -18.144 -17.869 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.446 -16.489 -19.267 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.891 -19.165 -18.579 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.805 -17.508 -19.978 1.00 0.00 C ATOM 714 CZ TYR A 45 2.027 -18.847 -19.634 1.00 0.00 C ATOM 715 OH TYR A 45 1.395 -19.854 -20.334 1.00 0.00 O ATOM 0 H TYR A 45 6.244 -16.653 -15.925 1.00 0.00 H new ATOM 0 HA TYR A 45 5.687 -15.931 -18.774 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.807 -15.819 -16.378 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.594 -14.736 -17.739 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.198 -18.389 -17.055 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.274 -15.456 -19.532 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.062 -20.198 -18.314 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.139 -17.262 -20.792 1.00 0.00 H new ATOM 0 HH TYR A 45 0.830 -19.462 -21.033 1.00 0.00 H new ATOM 725 N VAL A 46 6.945 -13.844 -18.155 1.00 0.00 N ATOM 726 CA VAL A 46 7.564 -12.531 -17.817 1.00 0.00 C ATOM 727 C VAL A 46 6.544 -11.421 -18.080 1.00 0.00 C ATOM 728 O VAL A 46 5.960 -11.355 -19.132 1.00 0.00 O ATOM 729 CB VAL A 46 8.796 -12.312 -18.692 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.366 -10.915 -18.437 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.853 -13.365 -18.352 1.00 0.00 C ATOM 0 H VAL A 46 7.217 -14.235 -19.057 1.00 0.00 H new ATOM 0 HA VAL A 46 7.861 -12.518 -16.768 1.00 0.00 H new ATOM 0 HB VAL A 46 8.516 -12.401 -19.742 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.245 -10.761 -19.063 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.613 -10.165 -18.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.647 -10.822 -17.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.734 -13.211 -18.975 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.131 -13.275 -17.302 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.448 -14.360 -18.536 1.00 0.00 H new ATOM 741 N LEU A 47 6.312 -10.563 -17.129 1.00 0.00 N ATOM 742 CA LEU A 47 5.307 -9.476 -17.333 1.00 0.00 C ATOM 743 C LEU A 47 6.024 -8.126 -17.507 1.00 0.00 C ATOM 744 O LEU A 47 7.173 -7.975 -17.149 1.00 0.00 O ATOM 745 CB LEU A 47 4.388 -9.440 -16.106 1.00 0.00 C ATOM 746 CG LEU A 47 3.262 -8.432 -16.307 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.924 -9.060 -15.906 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.534 -7.215 -15.422 1.00 0.00 C ATOM 0 H LEU A 47 6.772 -10.564 -16.219 1.00 0.00 H new ATOM 0 HA LEU A 47 4.719 -9.665 -18.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.969 -10.431 -15.930 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.966 -9.176 -15.220 1.00 0.00 H new ATOM 0 HG LEU A 47 3.216 -8.135 -17.355 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.123 -8.335 -16.052 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.735 -9.938 -16.523 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.960 -9.354 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.737 -6.484 -15.554 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.572 -7.526 -14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.487 -6.767 -15.702 1.00 0.00 H new ATOM 760 N LEU A 48 5.356 -7.145 -18.066 1.00 0.00 N ATOM 761 CA LEU A 48 6.002 -5.813 -18.269 1.00 0.00 C ATOM 762 C LEU A 48 4.932 -4.714 -18.236 1.00 0.00 C ATOM 763 O LEU A 48 4.332 -4.391 -19.242 1.00 0.00 O ATOM 764 CB LEU A 48 6.712 -5.791 -19.627 1.00 0.00 C ATOM 765 CG LEU A 48 7.090 -4.353 -19.989 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.955 -3.755 -18.881 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.874 -4.349 -21.304 1.00 0.00 C ATOM 0 H LEU A 48 4.391 -7.211 -18.390 1.00 0.00 H new ATOM 0 HA LEU A 48 6.728 -5.638 -17.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.606 -6.414 -19.591 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.062 -6.210 -20.395 1.00 0.00 H new ATOM 0 HG LEU A 48 6.184 -3.758 -20.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.223 -2.731 -19.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.399 -3.758 -17.944 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.862 -4.349 -18.766 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.144 -3.325 -21.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.779 -4.945 -21.190 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.258 -4.774 -22.096 1.00 0.00 H new ATOM 779 N SER A 49 4.687 -4.140 -17.089 1.00 0.00 N ATOM 780 CA SER A 49 3.654 -3.068 -16.995 1.00 0.00 C ATOM 781 C SER A 49 4.312 -1.696 -17.087 1.00 0.00 C ATOM 782 O SER A 49 5.275 -1.400 -16.408 1.00 0.00 O ATOM 783 CB SER A 49 2.915 -3.188 -15.661 1.00 0.00 C ATOM 784 OG SER A 49 1.637 -2.577 -15.776 1.00 0.00 O ATOM 0 H SER A 49 5.157 -4.367 -16.213 1.00 0.00 H new ATOM 0 HA SER A 49 2.949 -3.181 -17.818 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.806 -4.237 -15.386 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.490 -2.709 -14.869 1.00 0.00 H new ATOM 0 HG SER A 49 1.440 -2.405 -16.721 1.00 0.00 H new ATOM 790 N THR A 50 3.784 -0.857 -17.927 1.00 0.00 N ATOM 791 CA THR A 50 4.345 0.506 -18.094 1.00 0.00 C ATOM 792 C THR A 50 3.390 1.515 -17.443 1.00 0.00 C ATOM 793 O THR A 50 2.201 1.283 -17.347 1.00 0.00 O ATOM 794 CB THR A 50 4.488 0.776 -19.598 1.00 0.00 C ATOM 795 OG1 THR A 50 5.791 0.398 -20.017 1.00 0.00 O ATOM 796 CG2 THR A 50 4.261 2.259 -19.916 1.00 0.00 C ATOM 0 H THR A 50 2.975 -1.062 -18.514 1.00 0.00 H new ATOM 0 HA THR A 50 5.321 0.598 -17.617 1.00 0.00 H new ATOM 0 HB THR A 50 3.736 0.192 -20.129 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.415 0.486 -19.266 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.368 2.422 -20.988 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.258 2.549 -19.604 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.995 2.862 -19.382 1.00 0.00 H new ATOM 804 N ARG A 51 3.897 2.630 -16.996 1.00 0.00 N ATOM 805 CA ARG A 51 3.012 3.643 -16.353 1.00 0.00 C ATOM 806 C ARG A 51 3.401 5.043 -16.831 1.00 0.00 C ATOM 807 O ARG A 51 4.565 5.376 -16.930 1.00 0.00 O ATOM 808 CB ARG A 51 3.164 3.562 -14.833 1.00 0.00 C ATOM 809 CG ARG A 51 1.780 3.468 -14.187 1.00 0.00 C ATOM 810 CD ARG A 51 1.928 3.067 -12.717 1.00 0.00 C ATOM 811 NE ARG A 51 1.485 1.655 -12.542 1.00 0.00 N ATOM 812 CZ ARG A 51 0.215 1.378 -12.434 1.00 0.00 C ATOM 813 NH1 ARG A 51 -0.677 2.232 -12.861 1.00 0.00 N ATOM 814 NH2 ARG A 51 -0.166 0.250 -11.901 1.00 0.00 N ATOM 0 H ARG A 51 4.884 2.884 -17.048 1.00 0.00 H new ATOM 0 HA ARG A 51 1.976 3.443 -16.626 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.763 2.693 -14.562 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.691 4.441 -14.462 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.266 4.426 -14.263 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.170 2.735 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.966 3.176 -12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.332 3.727 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 51 2.175 0.905 -12.507 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.380 3.114 -13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.670 2.017 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.530 -0.417 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.160 0.035 -11.817 1.00 0.00 H new ATOM 828 N LYS A 52 2.433 5.868 -17.126 1.00 0.00 N ATOM 829 CA LYS A 52 2.747 7.247 -17.595 1.00 0.00 C ATOM 830 C LYS A 52 3.155 8.109 -16.399 1.00 0.00 C ATOM 831 O LYS A 52 2.916 7.761 -15.260 1.00 0.00 O ATOM 832 CB LYS A 52 1.510 7.852 -18.262 1.00 0.00 C ATOM 833 CG LYS A 52 0.333 7.816 -17.285 1.00 0.00 C ATOM 834 CD LYS A 52 -0.044 9.244 -16.886 1.00 0.00 C ATOM 835 CE LYS A 52 -0.934 9.208 -15.642 1.00 0.00 C ATOM 836 NZ LYS A 52 -1.342 10.596 -15.284 1.00 0.00 N ATOM 0 H LYS A 52 1.439 5.646 -17.062 1.00 0.00 H new ATOM 0 HA LYS A 52 3.566 7.211 -18.314 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.713 8.879 -18.565 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.263 7.296 -19.166 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.521 7.319 -17.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.599 7.238 -16.400 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.855 9.827 -16.686 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.567 9.736 -17.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.816 8.595 -15.830 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.398 8.749 -14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.947 10.573 -14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.495 11.167 -15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.869 11.018 -16.075 1.00 0.00 H new ATOM 850 N THR A 53 3.771 9.232 -16.648 1.00 0.00 N ATOM 851 CA THR A 53 4.193 10.115 -15.525 1.00 0.00 C ATOM 852 C THR A 53 4.386 11.542 -16.041 1.00 0.00 C ATOM 853 O THR A 53 4.163 11.827 -17.201 1.00 0.00 O ATOM 854 CB THR A 53 5.511 9.601 -14.940 1.00 0.00 C ATOM 855 OG1 THR A 53 6.440 9.382 -15.992 1.00 0.00 O ATOM 856 CG2 THR A 53 5.263 8.289 -14.193 1.00 0.00 C ATOM 0 H THR A 53 4.000 9.576 -17.581 1.00 0.00 H new ATOM 0 HA THR A 53 3.425 10.110 -14.751 1.00 0.00 H new ATOM 0 HB THR A 53 5.914 10.339 -14.247 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.285 9.054 -15.619 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.202 7.924 -13.777 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.550 8.459 -13.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.860 7.548 -14.883 1.00 0.00 H new ATOM 864 N GLY A 54 4.801 12.440 -15.190 1.00 0.00 N ATOM 865 CA GLY A 54 5.007 13.848 -15.634 1.00 0.00 C ATOM 866 C GLY A 54 6.433 14.011 -16.166 1.00 0.00 C ATOM 867 O GLY A 54 6.949 15.107 -16.261 1.00 0.00 O ATOM 0 H GLY A 54 5.006 12.260 -14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.286 14.105 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.837 14.532 -14.802 1.00 0.00 H new ATOM 871 N SER A 55 7.073 12.929 -16.515 1.00 0.00 N ATOM 872 CA SER A 55 8.464 13.022 -17.041 1.00 0.00 C ATOM 873 C SER A 55 8.647 12.023 -18.183 1.00 0.00 C ATOM 874 O SER A 55 9.113 12.365 -19.252 1.00 0.00 O ATOM 875 CB SER A 55 9.455 12.703 -15.921 1.00 0.00 C ATOM 876 OG SER A 55 10.698 12.314 -16.491 1.00 0.00 O ATOM 0 H SER A 55 6.693 11.984 -16.459 1.00 0.00 H new ATOM 0 HA SER A 55 8.645 14.031 -17.410 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.592 13.575 -15.282 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.065 11.904 -15.291 1.00 0.00 H new ATOM 0 HG SER A 55 11.336 12.110 -15.776 1.00 0.00 H new ATOM 882 N GLY A 56 8.282 10.788 -17.969 1.00 0.00 N ATOM 883 CA GLY A 56 8.436 9.768 -19.045 1.00 0.00 C ATOM 884 C GLY A 56 7.453 8.621 -18.806 1.00 0.00 C ATOM 885 O GLY A 56 6.276 8.730 -19.087 1.00 0.00 O ATOM 0 H GLY A 56 7.884 10.442 -17.096 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.252 10.221 -20.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.458 9.389 -19.057 1.00 0.00 H new ATOM 889 N PHE A 57 7.927 7.519 -18.291 1.00 0.00 N ATOM 890 CA PHE A 57 7.020 6.365 -18.036 1.00 0.00 C ATOM 891 C PHE A 57 7.571 5.528 -16.879 1.00 0.00 C ATOM 892 O PHE A 57 8.520 5.906 -16.223 1.00 0.00 O ATOM 893 CB PHE A 57 6.932 5.498 -19.295 1.00 0.00 C ATOM 894 CG PHE A 57 5.692 5.865 -20.074 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.457 5.296 -19.735 1.00 0.00 C ATOM 896 CD2 PHE A 57 5.777 6.771 -21.137 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.309 5.637 -20.459 1.00 0.00 C ATOM 898 CE2 PHE A 57 4.628 7.110 -21.861 1.00 0.00 C ATOM 899 CZ PHE A 57 3.393 6.543 -21.522 1.00 0.00 C ATOM 0 H PHE A 57 8.903 7.369 -18.036 1.00 0.00 H new ATOM 0 HA PHE A 57 6.027 6.734 -17.777 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.818 5.644 -19.912 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.904 4.443 -19.022 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.391 4.595 -18.916 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.729 7.209 -21.399 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.357 5.200 -20.197 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.694 7.809 -22.681 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.506 6.805 -22.080 1.00 0.00 H new ATOM 909 N SER A 58 6.981 4.392 -16.627 1.00 0.00 N ATOM 910 CA SER A 58 7.466 3.525 -15.517 1.00 0.00 C ATOM 911 C SER A 58 7.206 2.063 -15.878 1.00 0.00 C ATOM 912 O SER A 58 6.092 1.584 -15.797 1.00 0.00 O ATOM 913 CB SER A 58 6.718 3.877 -14.230 1.00 0.00 C ATOM 914 OG SER A 58 7.080 2.954 -13.211 1.00 0.00 O ATOM 0 H SER A 58 6.181 4.026 -17.144 1.00 0.00 H new ATOM 0 HA SER A 58 8.534 3.682 -15.365 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.962 4.893 -13.920 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.642 3.845 -14.400 1.00 0.00 H new ATOM 0 HG SER A 58 6.604 3.177 -12.384 1.00 0.00 H new ATOM 920 N TYR A 59 8.219 1.351 -16.285 1.00 0.00 N ATOM 921 CA TYR A 59 8.017 -0.076 -16.661 1.00 0.00 C ATOM 922 C TYR A 59 8.095 -0.965 -15.419 1.00 0.00 C ATOM 923 O TYR A 59 8.647 -0.592 -14.402 1.00 0.00 O ATOM 924 CB TYR A 59 9.095 -0.501 -17.661 1.00 0.00 C ATOM 925 CG TYR A 59 8.993 0.352 -18.903 1.00 0.00 C ATOM 926 CD1 TYR A 59 9.489 1.660 -18.897 1.00 0.00 C ATOM 927 CD2 TYR A 59 8.401 -0.166 -20.061 1.00 0.00 C ATOM 928 CE1 TYR A 59 9.394 2.451 -20.048 1.00 0.00 C ATOM 929 CE2 TYR A 59 8.306 0.624 -21.213 1.00 0.00 C ATOM 930 CZ TYR A 59 8.803 1.933 -21.206 1.00 0.00 C ATOM 931 OH TYR A 59 8.709 2.713 -22.341 1.00 0.00 O ATOM 0 H TYR A 59 9.176 1.694 -16.374 1.00 0.00 H new ATOM 0 HA TYR A 59 7.032 -0.186 -17.115 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.083 -0.395 -17.214 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.973 -1.553 -17.918 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.946 2.060 -18.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.017 -1.176 -20.066 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.777 3.461 -20.042 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.850 0.224 -22.106 1.00 0.00 H new ATOM 0 HH TYR A 59 9.456 3.346 -22.366 1.00 0.00 H new ATOM 941 N ASN A 60 7.543 -2.141 -15.505 1.00 0.00 N ATOM 942 CA ASN A 60 7.568 -3.082 -14.352 1.00 0.00 C ATOM 943 C ASN A 60 7.787 -4.494 -14.888 1.00 0.00 C ATOM 944 O ASN A 60 6.878 -5.129 -15.379 1.00 0.00 O ATOM 945 CB ASN A 60 6.229 -3.012 -13.616 1.00 0.00 C ATOM 946 CG ASN A 60 6.373 -2.132 -12.373 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.392 -2.159 -11.710 1.00 0.00 O ATOM 948 ND2 ASN A 60 5.391 -1.347 -12.026 1.00 0.00 N ATOM 0 H ASN A 60 7.069 -2.495 -16.336 1.00 0.00 H new ATOM 0 HA ASN A 60 8.369 -2.817 -13.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.461 -2.606 -14.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.907 -4.013 -13.330 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.478 -0.756 -11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.536 -1.324 -12.582 1.00 0.00 H new ATOM 955 N ILE A 61 8.989 -4.985 -14.820 1.00 0.00 N ATOM 956 CA ILE A 61 9.257 -6.350 -15.348 1.00 0.00 C ATOM 957 C ILE A 61 9.114 -7.387 -14.239 1.00 0.00 C ATOM 958 O ILE A 61 9.878 -7.416 -13.294 1.00 0.00 O ATOM 959 CB ILE A 61 10.672 -6.410 -15.914 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.872 -5.274 -16.919 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.871 -7.753 -16.615 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.362 -5.121 -17.229 1.00 0.00 C ATOM 0 H ILE A 61 9.796 -4.503 -14.423 1.00 0.00 H new ATOM 0 HA ILE A 61 8.534 -6.569 -16.134 1.00 0.00 H new ATOM 0 HB ILE A 61 11.396 -6.305 -15.106 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.319 -5.483 -17.835 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.477 -4.342 -16.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.881 -7.804 -17.023 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.727 -8.562 -15.899 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.147 -7.852 -17.424 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.503 -4.311 -17.945 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.903 -4.892 -16.311 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.743 -6.050 -17.652 1.00 0.00 H new ATOM 974 N HIS A 62 8.142 -8.244 -14.355 1.00 0.00 N ATOM 975 CA HIS A 62 7.935 -9.295 -13.324 1.00 0.00 C ATOM 976 C HIS A 62 8.342 -10.642 -13.893 1.00 0.00 C ATOM 977 O HIS A 62 8.545 -10.787 -15.082 1.00 0.00 O ATOM 978 CB HIS A 62 6.453 -9.391 -12.984 1.00 0.00 C ATOM 979 CG HIS A 62 5.947 -8.070 -12.484 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.355 -7.922 -11.239 1.00 0.00 N ATOM 981 CD2 HIS A 62 5.927 -6.827 -13.061 1.00 0.00 C ATOM 982 CE1 HIS A 62 5.006 -6.628 -11.109 1.00 0.00 C ATOM 983 NE2 HIS A 62 5.332 -5.917 -12.192 1.00 0.00 N ATOM 0 H HIS A 62 7.476 -8.262 -15.127 1.00 0.00 H new ATOM 0 HA HIS A 62 8.524 -9.041 -12.443 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.889 -9.694 -13.866 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.296 -10.159 -12.226 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.210 -8.658 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.314 -6.590 -14.041 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.522 -6.215 -10.236 1.00 0.00 H new ATOM 991 N TYR A 63 8.415 -11.648 -13.071 1.00 0.00 N ATOM 992 CA TYR A 63 8.748 -12.980 -13.618 1.00 0.00 C ATOM 993 C TYR A 63 7.928 -14.056 -12.905 1.00 0.00 C ATOM 994 O TYR A 63 8.157 -14.392 -11.761 1.00 0.00 O ATOM 995 CB TYR A 63 10.252 -13.268 -13.515 1.00 0.00 C ATOM 996 CG TYR A 63 10.695 -13.336 -12.072 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.134 -12.179 -11.419 1.00 0.00 C ATOM 998 CD2 TYR A 63 10.693 -14.564 -11.399 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.571 -12.250 -10.090 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.125 -14.633 -10.070 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.565 -13.477 -9.416 1.00 0.00 C ATOM 1002 OH TYR A 63 12.002 -13.548 -8.109 1.00 0.00 O ATOM 0 H TYR A 63 8.261 -11.605 -12.064 1.00 0.00 H new ATOM 0 HA TYR A 63 8.492 -12.992 -14.677 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.480 -14.210 -14.013 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.811 -12.489 -14.034 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.136 -11.232 -11.939 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.358 -15.457 -11.905 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.913 -11.358 -9.585 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.119 -15.579 -9.549 1.00 0.00 H new ATOM 0 HH TYR A 63 12.589 -12.787 -7.918 1.00 0.00 H new ATOM 1012 N TRP A 64 6.960 -14.587 -13.602 1.00 0.00 N ATOM 1013 CA TRP A 64 6.078 -15.642 -13.032 1.00 0.00 C ATOM 1014 C TRP A 64 6.780 -16.987 -13.154 1.00 0.00 C ATOM 1015 O TRP A 64 7.386 -17.288 -14.162 1.00 0.00 O ATOM 1016 CB TRP A 64 4.778 -15.659 -13.835 1.00 0.00 C ATOM 1017 CG TRP A 64 3.676 -16.292 -13.052 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.285 -15.933 -11.809 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.796 -17.373 -13.459 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.218 -16.729 -11.433 1.00 0.00 N ATOM 1021 CE2 TRP A 64 1.878 -17.628 -12.418 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.710 -18.148 -14.624 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 0.901 -18.613 -12.529 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.725 -19.143 -14.743 1.00 0.00 C ATOM 1025 CH2 TRP A 64 0.821 -19.371 -13.696 1.00 0.00 C ATOM 0 H TRP A 64 6.740 -14.327 -14.563 1.00 0.00 H new ATOM 0 HA TRP A 64 5.862 -15.444 -11.982 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.499 -14.640 -14.105 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.928 -16.205 -14.766 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.732 -15.154 -11.209 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.741 -16.658 -10.534 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.404 -17.979 -15.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.210 -18.789 -11.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.664 -19.734 -15.645 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.063 -20.134 -13.794 1.00 0.00 H new ATOM 1036 N LEU A 65 6.735 -17.785 -12.128 1.00 0.00 N ATOM 1037 CA LEU A 65 7.441 -19.091 -12.189 1.00 0.00 C ATOM 1038 C LEU A 65 6.486 -20.254 -11.907 1.00 0.00 C ATOM 1039 O LEU A 65 6.666 -20.975 -10.951 1.00 0.00 O ATOM 1040 CB LEU A 65 8.546 -19.110 -11.120 1.00 0.00 C ATOM 1041 CG LEU A 65 9.846 -18.420 -11.584 1.00 0.00 C ATOM 1042 CD1 LEU A 65 10.887 -19.485 -11.924 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.629 -17.532 -12.812 1.00 0.00 C ATOM 0 H LEU A 65 6.244 -17.592 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 65 7.855 -19.207 -13.191 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.181 -18.617 -10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.766 -20.143 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 65 10.187 -17.784 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.807 -19.002 -12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.090 -20.090 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.507 -20.123 -12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.574 -17.070 -13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.257 -18.138 -13.638 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.902 -16.755 -12.575 1.00 0.00 H new ATOM 1055 N GLY A 66 5.496 -20.466 -12.735 1.00 0.00 N ATOM 1056 CA GLY A 66 4.573 -21.622 -12.502 1.00 0.00 C ATOM 1057 C GLY A 66 5.429 -22.857 -12.198 1.00 0.00 C ATOM 1058 O GLY A 66 5.900 -23.528 -13.097 1.00 0.00 O ATOM 0 H GLY A 66 5.286 -19.897 -13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.900 -21.411 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.951 -21.796 -13.380 1.00 0.00 H new ATOM 1062 N LYS A 67 5.657 -23.109 -10.931 1.00 0.00 N ATOM 1063 CA LYS A 67 6.526 -24.239 -10.472 1.00 0.00 C ATOM 1064 C LYS A 67 6.350 -25.512 -11.293 1.00 0.00 C ATOM 1065 O LYS A 67 5.643 -26.426 -10.915 1.00 0.00 O ATOM 1066 CB LYS A 67 6.217 -24.542 -9.005 1.00 0.00 C ATOM 1067 CG LYS A 67 7.432 -25.204 -8.353 1.00 0.00 C ATOM 1068 CD LYS A 67 8.601 -24.216 -8.330 1.00 0.00 C ATOM 1069 CE LYS A 67 8.121 -22.869 -7.786 1.00 0.00 C ATOM 1070 NZ LYS A 67 9.291 -21.965 -7.595 1.00 0.00 N ATOM 0 H LYS A 67 5.262 -22.557 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 67 7.560 -23.919 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.965 -23.622 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.350 -25.198 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.187 -25.518 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.711 -26.101 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.407 -24.605 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.005 -24.091 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.409 -22.418 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.600 -23.012 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.965 -21.049 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.955 -22.395 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.770 -21.820 -8.507 1.00 0.00 H new ATOM 1084 N ASN A 68 7.043 -25.593 -12.386 1.00 0.00 N ATOM 1085 CA ASN A 68 6.999 -26.816 -13.232 1.00 0.00 C ATOM 1086 C ASN A 68 8.198 -26.783 -14.171 1.00 0.00 C ATOM 1087 O ASN A 68 8.873 -27.772 -14.382 1.00 0.00 O ATOM 1088 CB ASN A 68 5.719 -26.842 -14.047 1.00 0.00 C ATOM 1089 CG ASN A 68 4.569 -27.379 -13.191 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.929 -26.635 -12.476 1.00 0.00 O ATOM 1091 ND2 ASN A 68 4.278 -28.650 -13.235 1.00 0.00 N ATOM 0 H ASN A 68 7.650 -24.852 -12.738 1.00 0.00 H new ATOM 0 HA ASN A 68 7.028 -27.706 -12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.483 -25.839 -14.402 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.851 -27.469 -14.929 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.513 -29.018 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.815 -29.276 -13.835 1.00 0.00 H new ATOM 1098 N SER A 69 8.464 -25.637 -14.735 1.00 0.00 N ATOM 1099 CA SER A 69 9.617 -25.506 -15.665 1.00 0.00 C ATOM 1100 C SER A 69 10.872 -26.085 -15.007 1.00 0.00 C ATOM 1101 O SER A 69 10.830 -26.577 -13.897 1.00 0.00 O ATOM 1102 CB SER A 69 9.838 -24.028 -15.982 1.00 0.00 C ATOM 1103 OG SER A 69 10.808 -23.496 -15.090 1.00 0.00 O ATOM 0 H SER A 69 7.928 -24.782 -14.590 1.00 0.00 H new ATOM 0 HA SER A 69 9.411 -26.051 -16.586 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.173 -23.911 -17.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.901 -23.480 -15.887 1.00 0.00 H new ATOM 0 HG SER A 69 10.930 -22.541 -15.271 1.00 0.00 H new ATOM 1109 N SER A 70 11.989 -26.030 -15.681 1.00 0.00 N ATOM 1110 CA SER A 70 13.242 -26.579 -15.090 1.00 0.00 C ATOM 1111 C SER A 70 14.032 -25.450 -14.425 1.00 0.00 C ATOM 1112 O SER A 70 13.538 -24.353 -14.249 1.00 0.00 O ATOM 1113 CB SER A 70 14.088 -27.220 -16.191 1.00 0.00 C ATOM 1114 OG SER A 70 15.116 -26.319 -16.581 1.00 0.00 O ATOM 0 H SER A 70 12.088 -25.629 -16.614 1.00 0.00 H new ATOM 0 HA SER A 70 12.991 -27.332 -14.343 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.523 -28.153 -15.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.462 -27.468 -17.048 1.00 0.00 H new ATOM 0 HG SER A 70 14.955 -26.016 -17.499 1.00 0.00 H new ATOM 1120 N GLN A 71 15.255 -25.709 -14.050 1.00 0.00 N ATOM 1121 CA GLN A 71 16.073 -24.650 -13.392 1.00 0.00 C ATOM 1122 C GLN A 71 16.452 -23.575 -14.415 1.00 0.00 C ATOM 1123 O GLN A 71 16.447 -22.397 -14.119 1.00 0.00 O ATOM 1124 CB GLN A 71 17.344 -25.269 -12.802 1.00 0.00 C ATOM 1125 CG GLN A 71 17.912 -26.312 -13.769 1.00 0.00 C ATOM 1126 CD GLN A 71 17.733 -27.710 -13.174 1.00 0.00 C ATOM 1127 OE1 GLN A 71 17.299 -28.620 -13.851 1.00 0.00 O ATOM 1128 NE2 GLN A 71 18.051 -27.919 -11.925 1.00 0.00 N ATOM 0 H GLN A 71 15.723 -26.607 -14.171 1.00 0.00 H new ATOM 0 HA GLN A 71 15.489 -24.194 -12.592 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.085 -24.492 -12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.121 -25.734 -11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.404 -26.247 -14.731 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.968 -26.116 -13.953 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.416 -27.154 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.935 -28.847 -11.518 1.00 0.00 H new ATOM 1137 N ASP A 72 16.782 -23.965 -15.616 1.00 0.00 N ATOM 1138 CA ASP A 72 17.159 -22.953 -16.641 1.00 0.00 C ATOM 1139 C ASP A 72 15.903 -22.232 -17.124 1.00 0.00 C ATOM 1140 O ASP A 72 15.961 -21.109 -17.585 1.00 0.00 O ATOM 1141 CB ASP A 72 17.856 -23.640 -17.820 1.00 0.00 C ATOM 1142 CG ASP A 72 16.822 -24.363 -18.688 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.791 -24.741 -18.155 1.00 0.00 O ATOM 1144 OD2 ASP A 72 17.078 -24.526 -19.868 1.00 0.00 O ATOM 0 H ASP A 72 16.807 -24.935 -15.930 1.00 0.00 H new ATOM 0 HA ASP A 72 17.845 -22.229 -16.202 1.00 0.00 H new ATOM 0 HB2 ASP A 72 18.392 -22.902 -18.417 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.596 -24.351 -17.452 1.00 0.00 H new ATOM 1149 N GLU A 73 14.765 -22.858 -17.011 1.00 0.00 N ATOM 1150 CA GLU A 73 13.513 -22.189 -17.450 1.00 0.00 C ATOM 1151 C GLU A 73 13.224 -21.042 -16.490 1.00 0.00 C ATOM 1152 O GLU A 73 12.884 -19.951 -16.897 1.00 0.00 O ATOM 1153 CB GLU A 73 12.358 -23.190 -17.435 1.00 0.00 C ATOM 1154 CG GLU A 73 12.543 -24.196 -18.572 1.00 0.00 C ATOM 1155 CD GLU A 73 11.217 -24.912 -18.839 1.00 0.00 C ATOM 1156 OE1 GLU A 73 10.240 -24.228 -19.094 1.00 0.00 O ATOM 1157 OE2 GLU A 73 11.203 -26.130 -18.781 1.00 0.00 O ATOM 0 H GLU A 73 14.650 -23.799 -16.635 1.00 0.00 H new ATOM 0 HA GLU A 73 13.624 -21.807 -18.465 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.325 -23.709 -16.477 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.408 -22.668 -17.548 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.881 -23.684 -19.473 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.314 -24.921 -18.309 1.00 0.00 H new ATOM 1164 N GLN A 74 13.386 -21.266 -15.215 1.00 0.00 N ATOM 1165 CA GLN A 74 13.155 -20.165 -14.248 1.00 0.00 C ATOM 1166 C GLN A 74 14.229 -19.111 -14.496 1.00 0.00 C ATOM 1167 O GLN A 74 14.017 -17.929 -14.310 1.00 0.00 O ATOM 1168 CB GLN A 74 13.263 -20.691 -12.816 1.00 0.00 C ATOM 1169 CG GLN A 74 14.615 -21.377 -12.630 1.00 0.00 C ATOM 1170 CD GLN A 74 14.893 -21.565 -11.137 1.00 0.00 C ATOM 1171 OE1 GLN A 74 15.801 -20.966 -10.597 1.00 0.00 O ATOM 1172 NE2 GLN A 74 14.144 -22.378 -10.445 1.00 0.00 N ATOM 0 H GLN A 74 13.666 -22.158 -14.807 1.00 0.00 H new ATOM 0 HA GLN A 74 12.159 -19.742 -14.378 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.158 -19.870 -12.106 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.455 -21.394 -12.613 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.617 -22.343 -13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 74 15.404 -20.778 -13.085 1.00 0.00 H new ATOM 0 HE21 GLN A 74 13.382 -22.881 -10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.321 -22.511 -9.449 1.00 0.00 H new ATOM 1181 N GLY A 75 15.384 -19.539 -14.942 1.00 0.00 N ATOM 1182 CA GLY A 75 16.476 -18.572 -15.235 1.00 0.00 C ATOM 1183 C GLY A 75 16.267 -18.006 -16.640 1.00 0.00 C ATOM 1184 O GLY A 75 16.881 -17.035 -17.029 1.00 0.00 O ATOM 0 H GLY A 75 15.614 -20.518 -15.115 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.475 -17.767 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.446 -19.065 -15.167 1.00 0.00 H new ATOM 1188 N ALA A 76 15.392 -18.604 -17.405 1.00 0.00 N ATOM 1189 CA ALA A 76 15.137 -18.091 -18.778 1.00 0.00 C ATOM 1190 C ALA A 76 14.124 -16.951 -18.695 1.00 0.00 C ATOM 1191 O ALA A 76 14.259 -15.936 -19.348 1.00 0.00 O ATOM 1192 CB ALA A 76 14.580 -19.215 -19.653 1.00 0.00 C ATOM 0 H ALA A 76 14.846 -19.423 -17.137 1.00 0.00 H new ATOM 0 HA ALA A 76 16.066 -17.729 -19.218 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.394 -18.836 -20.658 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.301 -20.031 -19.700 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.647 -19.581 -19.225 1.00 0.00 H new ATOM 1198 N ALA A 77 13.113 -17.107 -17.884 1.00 0.00 N ATOM 1199 CA ALA A 77 12.097 -16.026 -17.744 1.00 0.00 C ATOM 1200 C ALA A 77 12.714 -14.870 -16.958 1.00 0.00 C ATOM 1201 O ALA A 77 12.671 -13.728 -17.372 1.00 0.00 O ATOM 1202 CB ALA A 77 10.879 -16.557 -16.986 1.00 0.00 C ATOM 0 H ALA A 77 12.947 -17.936 -17.313 1.00 0.00 H new ATOM 0 HA ALA A 77 11.785 -15.685 -18.731 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.138 -15.763 -16.886 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.444 -17.392 -17.535 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.185 -16.895 -15.996 1.00 0.00 H new ATOM 1208 N ALA A 78 13.299 -15.161 -15.826 1.00 0.00 N ATOM 1209 CA ALA A 78 13.927 -14.083 -15.015 1.00 0.00 C ATOM 1210 C ALA A 78 15.010 -13.398 -15.849 1.00 0.00 C ATOM 1211 O ALA A 78 15.156 -12.192 -15.824 1.00 0.00 O ATOM 1212 CB ALA A 78 14.556 -14.689 -13.759 1.00 0.00 C ATOM 0 H ALA A 78 13.368 -16.099 -15.430 1.00 0.00 H new ATOM 0 HA ALA A 78 13.171 -13.354 -14.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.016 -13.899 -13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.785 -15.185 -13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.316 -15.416 -14.047 1.00 0.00 H new ATOM 1218 N ILE A 79 15.768 -14.158 -16.593 1.00 0.00 N ATOM 1219 CA ILE A 79 16.834 -13.546 -17.431 1.00 0.00 C ATOM 1220 C ILE A 79 16.176 -12.636 -18.473 1.00 0.00 C ATOM 1221 O ILE A 79 16.627 -11.535 -18.717 1.00 0.00 O ATOM 1222 CB ILE A 79 17.647 -14.654 -18.122 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.726 -15.196 -17.167 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.336 -14.094 -19.370 1.00 0.00 C ATOM 1225 CD1 ILE A 79 18.231 -15.182 -15.715 1.00 0.00 C ATOM 0 H ILE A 79 15.694 -15.173 -16.655 1.00 0.00 H new ATOM 0 HA ILE A 79 17.510 -12.957 -16.811 1.00 0.00 H new ATOM 0 HB ILE A 79 16.966 -15.458 -18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 79 18.994 -16.213 -17.454 1.00 0.00 H new ATOM 0 HG13 ILE A 79 19.630 -14.592 -17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.910 -14.884 -19.854 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.584 -13.716 -20.062 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.005 -13.283 -19.083 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.012 -15.570 -15.061 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.987 -14.160 -15.423 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.342 -15.806 -15.628 1.00 0.00 H new ATOM 1237 N TYR A 80 15.101 -13.075 -19.076 1.00 0.00 N ATOM 1238 CA TYR A 80 14.424 -12.211 -20.078 1.00 0.00 C ATOM 1239 C TYR A 80 13.950 -10.949 -19.366 1.00 0.00 C ATOM 1240 O TYR A 80 13.780 -9.903 -19.963 1.00 0.00 O ATOM 1241 CB TYR A 80 13.228 -12.954 -20.675 1.00 0.00 C ATOM 1242 CG TYR A 80 13.693 -13.788 -21.844 1.00 0.00 C ATOM 1243 CD1 TYR A 80 14.779 -14.658 -21.693 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.042 -13.689 -23.078 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.213 -15.430 -22.776 1.00 0.00 C ATOM 1246 CE2 TYR A 80 13.476 -14.460 -24.163 1.00 0.00 C ATOM 1247 CZ TYR A 80 14.561 -15.331 -24.012 1.00 0.00 C ATOM 1248 OH TYR A 80 14.989 -16.093 -25.079 1.00 0.00 O ATOM 0 H TYR A 80 14.669 -13.985 -18.918 1.00 0.00 H new ATOM 0 HA TYR A 80 15.109 -11.954 -20.885 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.767 -13.590 -19.920 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.468 -12.243 -21.000 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.282 -14.733 -20.740 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.204 -13.017 -23.194 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.050 -16.102 -22.659 1.00 0.00 H new ATOM 0 HE2 TYR A 80 12.974 -14.383 -25.116 1.00 0.00 H new ATOM 0 HH TYR A 80 14.260 -16.675 -25.379 1.00 0.00 H new ATOM 1258 N THR A 81 13.753 -11.042 -18.080 1.00 0.00 N ATOM 1259 CA THR A 81 13.310 -9.860 -17.297 1.00 0.00 C ATOM 1260 C THR A 81 14.539 -9.010 -16.966 1.00 0.00 C ATOM 1261 O THR A 81 14.452 -7.813 -16.775 1.00 0.00 O ATOM 1262 CB THR A 81 12.634 -10.341 -16.004 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.294 -10.712 -16.288 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.642 -9.228 -14.951 1.00 0.00 C ATOM 0 H THR A 81 13.882 -11.895 -17.536 1.00 0.00 H new ATOM 0 HA THR A 81 12.598 -9.264 -17.868 1.00 0.00 H new ATOM 0 HB THR A 81 13.183 -11.198 -15.614 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.162 -11.657 -16.064 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.159 -9.585 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.671 -8.944 -14.729 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.101 -8.362 -15.333 1.00 0.00 H new ATOM 1272 N THR A 82 15.687 -9.629 -16.905 1.00 0.00 N ATOM 1273 CA THR A 82 16.933 -8.875 -16.596 1.00 0.00 C ATOM 1274 C THR A 82 17.290 -7.987 -17.791 1.00 0.00 C ATOM 1275 O THR A 82 17.605 -6.823 -17.642 1.00 0.00 O ATOM 1276 CB THR A 82 18.068 -9.871 -16.329 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.923 -10.409 -15.023 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.422 -9.167 -16.443 1.00 0.00 C ATOM 0 H THR A 82 15.815 -10.630 -17.057 1.00 0.00 H new ATOM 0 HA THR A 82 16.785 -8.251 -15.714 1.00 0.00 H new ATOM 0 HB THR A 82 18.021 -10.673 -17.066 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.646 -11.047 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.221 -9.883 -16.252 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.535 -8.756 -17.446 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.475 -8.360 -15.712 1.00 0.00 H new ATOM 1286 N GLN A 83 17.240 -8.527 -18.978 1.00 0.00 N ATOM 1287 CA GLN A 83 17.574 -7.714 -20.181 1.00 0.00 C ATOM 1288 C GLN A 83 16.486 -6.661 -20.399 1.00 0.00 C ATOM 1289 O GLN A 83 16.767 -5.518 -20.700 1.00 0.00 O ATOM 1290 CB GLN A 83 17.654 -8.627 -21.407 1.00 0.00 C ATOM 1291 CG GLN A 83 18.324 -9.947 -21.019 1.00 0.00 C ATOM 1292 CD GLN A 83 19.522 -10.201 -21.935 1.00 0.00 C ATOM 1293 OE1 GLN A 83 20.480 -9.452 -21.922 1.00 0.00 O ATOM 1294 NE2 GLN A 83 19.511 -11.233 -22.734 1.00 0.00 N ATOM 0 H GLN A 83 16.982 -9.496 -19.166 1.00 0.00 H new ATOM 0 HA GLN A 83 18.535 -7.220 -20.033 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.654 -8.816 -21.799 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.220 -8.139 -22.200 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.649 -9.910 -19.979 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.610 -10.767 -21.101 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.707 -11.861 -22.745 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.306 -11.411 -23.348 1.00 0.00 H new ATOM 1303 N MET A 84 15.245 -7.036 -20.248 1.00 0.00 N ATOM 1304 CA MET A 84 14.142 -6.053 -20.445 1.00 0.00 C ATOM 1305 C MET A 84 14.369 -4.845 -19.534 1.00 0.00 C ATOM 1306 O MET A 84 14.082 -3.721 -19.893 1.00 0.00 O ATOM 1307 CB MET A 84 12.805 -6.710 -20.098 1.00 0.00 C ATOM 1308 CG MET A 84 12.267 -7.453 -21.323 1.00 0.00 C ATOM 1309 SD MET A 84 10.525 -7.029 -21.567 1.00 0.00 S ATOM 1310 CE MET A 84 9.868 -8.713 -21.480 1.00 0.00 C ATOM 0 H MET A 84 14.948 -7.979 -19.997 1.00 0.00 H new ATOM 0 HA MET A 84 14.126 -5.727 -21.485 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.933 -7.403 -19.267 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.089 -5.954 -19.775 1.00 0.00 H new ATOM 0 HG2 MET A 84 12.845 -7.185 -22.207 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.375 -8.529 -21.186 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.555 -9.033 -22.474 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.641 -9.386 -21.108 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.012 -8.735 -20.805 1.00 0.00 H new ATOM 1320 N ASP A 85 14.884 -5.069 -18.355 1.00 0.00 N ATOM 1321 CA ASP A 85 15.129 -3.935 -17.422 1.00 0.00 C ATOM 1322 C ASP A 85 16.392 -3.185 -17.850 1.00 0.00 C ATOM 1323 O ASP A 85 16.471 -1.976 -17.756 1.00 0.00 O ATOM 1324 CB ASP A 85 15.315 -4.473 -16.001 1.00 0.00 C ATOM 1325 CG ASP A 85 14.723 -3.483 -14.997 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.115 -2.327 -15.034 1.00 0.00 O ATOM 1327 OD2 ASP A 85 13.890 -3.896 -14.208 1.00 0.00 O ATOM 0 H ASP A 85 15.145 -5.988 -17.999 1.00 0.00 H new ATOM 0 HA ASP A 85 14.276 -3.256 -17.446 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.827 -5.443 -15.902 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.374 -4.626 -15.795 1.00 0.00 H new ATOM 1332 N GLU A 86 17.381 -3.893 -18.322 1.00 0.00 N ATOM 1333 CA GLU A 86 18.638 -3.220 -18.757 1.00 0.00 C ATOM 1334 C GLU A 86 18.501 -2.770 -20.213 1.00 0.00 C ATOM 1335 O GLU A 86 19.443 -2.295 -20.816 1.00 0.00 O ATOM 1336 CB GLU A 86 19.808 -4.200 -18.636 1.00 0.00 C ATOM 1337 CG GLU A 86 21.022 -3.477 -18.052 1.00 0.00 C ATOM 1338 CD GLU A 86 22.285 -4.297 -18.325 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.410 -4.805 -19.426 1.00 0.00 O ATOM 1340 OE2 GLU A 86 23.105 -4.401 -17.428 1.00 0.00 O ATOM 0 H GLU A 86 17.373 -4.908 -18.425 1.00 0.00 H new ATOM 0 HA GLU A 86 18.822 -2.351 -18.125 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.529 -5.038 -17.998 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.053 -4.612 -19.615 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.116 -2.486 -18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.893 -3.335 -16.979 1.00 0.00 H new ATOM 1347 N TYR A 87 17.335 -2.913 -20.783 1.00 0.00 N ATOM 1348 CA TYR A 87 17.142 -2.491 -22.200 1.00 0.00 C ATOM 1349 C TYR A 87 16.041 -1.431 -22.274 1.00 0.00 C ATOM 1350 O TYR A 87 15.913 -0.724 -23.253 1.00 0.00 O ATOM 1351 CB TYR A 87 16.740 -3.704 -23.042 1.00 0.00 C ATOM 1352 CG TYR A 87 17.974 -4.335 -23.640 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.939 -3.535 -24.263 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.154 -5.723 -23.572 1.00 0.00 C ATOM 1355 CE1 TYR A 87 20.083 -4.121 -24.818 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.297 -6.309 -24.127 1.00 0.00 C ATOM 1357 CZ TYR A 87 20.263 -5.508 -24.749 1.00 0.00 C ATOM 1358 OH TYR A 87 21.390 -6.086 -25.295 1.00 0.00 O ATOM 0 H TYR A 87 16.509 -3.303 -20.329 1.00 0.00 H new ATOM 0 HA TYR A 87 18.073 -2.073 -22.584 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.211 -4.430 -22.424 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.055 -3.400 -23.833 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.801 -2.465 -24.316 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.410 -6.341 -23.091 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.827 -3.503 -25.299 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.434 -7.379 -24.076 1.00 0.00 H new ATOM 0 HH TYR A 87 21.358 -7.056 -25.159 1.00 0.00 H new ATOM 1368 N LEU A 88 15.243 -1.317 -21.248 1.00 0.00 N ATOM 1369 CA LEU A 88 14.149 -0.303 -21.265 1.00 0.00 C ATOM 1370 C LEU A 88 14.680 1.034 -20.742 1.00 0.00 C ATOM 1371 O LEU A 88 13.940 1.985 -20.586 1.00 0.00 O ATOM 1372 CB LEU A 88 12.999 -0.782 -20.376 1.00 0.00 C ATOM 1373 CG LEU A 88 12.122 -1.758 -21.162 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.472 -2.754 -20.200 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.032 -0.980 -21.904 1.00 0.00 C ATOM 0 H LEU A 88 15.300 -1.881 -20.400 1.00 0.00 H new ATOM 0 HA LEU A 88 13.790 -0.173 -22.286 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.393 -1.268 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.405 0.068 -20.041 1.00 0.00 H new ATOM 0 HG LEU A 88 12.738 -2.299 -21.881 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.848 -3.448 -20.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.247 -3.309 -19.672 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.857 -2.215 -19.479 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.407 -1.675 -22.464 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.418 -0.438 -21.185 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.494 -0.272 -22.592 1.00 0.00 H new ATOM 1387 N GLY A 89 15.955 1.117 -20.473 1.00 0.00 N ATOM 1388 CA GLY A 89 16.526 2.396 -19.963 1.00 0.00 C ATOM 1389 C GLY A 89 16.621 2.347 -18.437 1.00 0.00 C ATOM 1390 O GLY A 89 16.460 3.346 -17.763 1.00 0.00 O ATOM 0 H GLY A 89 16.625 0.356 -20.584 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.514 2.561 -20.393 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.900 3.233 -20.271 1.00 0.00 H new ATOM 1394 N SER A 90 16.878 1.193 -17.885 1.00 0.00 N ATOM 1395 CA SER A 90 16.982 1.083 -16.403 1.00 0.00 C ATOM 1396 C SER A 90 15.801 1.804 -15.750 1.00 0.00 C ATOM 1397 O SER A 90 15.871 2.226 -14.613 1.00 0.00 O ATOM 1398 CB SER A 90 18.290 1.721 -15.935 1.00 0.00 C ATOM 1399 OG SER A 90 18.581 2.848 -16.751 1.00 0.00 O ATOM 0 H SER A 90 17.020 0.322 -18.396 1.00 0.00 H new ATOM 0 HA SER A 90 16.967 0.031 -16.117 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.207 2.025 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.102 0.997 -15.992 1.00 0.00 H new ATOM 0 HG SER A 90 17.798 3.436 -16.789 1.00 0.00 H new ATOM 1405 N VAL A 91 14.714 1.946 -16.458 1.00 0.00 N ATOM 1406 CA VAL A 91 13.529 2.638 -15.876 1.00 0.00 C ATOM 1407 C VAL A 91 12.508 1.595 -15.422 1.00 0.00 C ATOM 1408 O VAL A 91 11.598 1.887 -14.672 1.00 0.00 O ATOM 1409 CB VAL A 91 12.893 3.542 -16.931 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.952 4.485 -17.503 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.317 2.682 -18.058 1.00 0.00 C ATOM 0 H VAL A 91 14.595 1.613 -17.415 1.00 0.00 H new ATOM 0 HA VAL A 91 13.843 3.241 -15.024 1.00 0.00 H new ATOM 0 HB VAL A 91 12.095 4.127 -16.473 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.497 5.129 -18.255 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.364 5.098 -16.702 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.751 3.901 -17.960 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.863 3.326 -18.811 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.116 2.097 -18.514 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.561 2.009 -17.652 1.00 0.00 H new ATOM 1421 N ALA A 92 12.650 0.380 -15.873 1.00 0.00 N ATOM 1422 CA ALA A 92 11.686 -0.681 -15.471 1.00 0.00 C ATOM 1423 C ALA A 92 12.044 -1.199 -14.078 1.00 0.00 C ATOM 1424 O ALA A 92 13.102 -0.920 -13.551 1.00 0.00 O ATOM 1425 CB ALA A 92 11.747 -1.833 -16.476 1.00 0.00 C ATOM 0 H ALA A 92 13.392 0.076 -16.503 1.00 0.00 H new ATOM 0 HA ALA A 92 10.678 -0.266 -15.454 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.041 -2.610 -16.182 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.488 -1.464 -17.468 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.755 -2.247 -16.495 1.00 0.00 H new ATOM 1431 N VAL A 93 11.164 -1.952 -13.480 1.00 0.00 N ATOM 1432 CA VAL A 93 11.440 -2.494 -12.121 1.00 0.00 C ATOM 1433 C VAL A 93 11.507 -4.020 -12.195 1.00 0.00 C ATOM 1434 O VAL A 93 11.396 -4.604 -13.253 1.00 0.00 O ATOM 1435 CB VAL A 93 10.307 -2.082 -11.179 1.00 0.00 C ATOM 1436 CG1 VAL A 93 10.775 -2.200 -9.729 1.00 0.00 C ATOM 1437 CG2 VAL A 93 9.905 -0.635 -11.470 1.00 0.00 C ATOM 0 H VAL A 93 10.262 -2.216 -13.876 1.00 0.00 H new ATOM 0 HA VAL A 93 12.387 -2.103 -11.750 1.00 0.00 H new ATOM 0 HB VAL A 93 9.450 -2.737 -11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.966 -1.906 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.060 -3.231 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.633 -1.547 -9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.098 -0.340 -10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.763 0.019 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.567 -0.552 -12.503 1.00 0.00 H new ATOM 1447 N GLN A 94 11.681 -4.677 -11.083 1.00 0.00 N ATOM 1448 CA GLN A 94 11.739 -6.160 -11.107 1.00 0.00 C ATOM 1449 C GLN A 94 10.777 -6.713 -10.056 1.00 0.00 C ATOM 1450 O GLN A 94 10.629 -6.157 -8.986 1.00 0.00 O ATOM 1451 CB GLN A 94 13.164 -6.629 -10.805 1.00 0.00 C ATOM 1452 CG GLN A 94 13.653 -7.539 -11.932 1.00 0.00 C ATOM 1453 CD GLN A 94 14.169 -8.854 -11.342 1.00 0.00 C ATOM 1454 OE1 GLN A 94 15.301 -9.232 -11.567 1.00 0.00 O ATOM 1455 NE2 GLN A 94 13.380 -9.569 -10.588 1.00 0.00 N ATOM 0 H GLN A 94 11.785 -4.251 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 94 11.451 -6.522 -12.094 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.827 -5.770 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.188 -7.164 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.841 -7.736 -12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.446 -7.045 -12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.429 -9.251 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.714 -10.446 -10.187 1.00 0.00 H new ATOM 1464 N HIS A 95 10.109 -7.795 -10.351 1.00 0.00 N ATOM 1465 CA HIS A 95 9.148 -8.363 -9.366 1.00 0.00 C ATOM 1466 C HIS A 95 9.187 -9.893 -9.423 1.00 0.00 C ATOM 1467 O HIS A 95 9.464 -10.481 -10.450 1.00 0.00 O ATOM 1468 CB HIS A 95 7.742 -7.870 -9.703 1.00 0.00 C ATOM 1469 CG HIS A 95 7.820 -6.449 -10.193 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.014 -5.928 -11.445 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 7.705 -5.359 -9.343 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.023 -4.539 -11.383 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 7.833 -4.247 -10.094 1.00 0.00 N flip ATOM 0 H HIS A 95 10.187 -8.308 -11.229 1.00 0.00 H new ATOM 0 HA HIS A 95 9.421 -8.041 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.294 -8.506 -10.466 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.102 -7.929 -8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.543 -5.395 -8.276 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.155 -3.846 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.790 -3.298 -9.723 1.00 0.00 H new ATOM 1481 N ARG A 96 8.916 -10.540 -8.322 1.00 0.00 N ATOM 1482 CA ARG A 96 8.944 -12.030 -8.303 1.00 0.00 C ATOM 1483 C ARG A 96 7.521 -12.584 -8.206 1.00 0.00 C ATOM 1484 O ARG A 96 6.700 -12.090 -7.460 1.00 0.00 O ATOM 1485 CB ARG A 96 9.747 -12.500 -7.089 1.00 0.00 C ATOM 1486 CG ARG A 96 9.728 -14.029 -7.026 1.00 0.00 C ATOM 1487 CD ARG A 96 10.800 -14.513 -6.048 1.00 0.00 C ATOM 1488 NE ARG A 96 10.148 -15.022 -4.809 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.743 -15.931 -4.084 1.00 0.00 C ATOM 1490 NH1 ARG A 96 12.046 -15.969 -4.027 1.00 0.00 N ATOM 1491 NH2 ARG A 96 10.035 -16.801 -3.416 1.00 0.00 N ATOM 0 H ARG A 96 8.676 -10.100 -7.434 1.00 0.00 H new ATOM 0 HA ARG A 96 9.406 -12.390 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.774 -12.141 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.324 -12.082 -6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.746 -14.378 -6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.909 -14.447 -8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.398 -15.301 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.481 -13.697 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 96 9.237 -14.661 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.599 -15.289 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.511 -16.679 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.016 -16.771 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.500 -17.511 -2.850 1.00 0.00 H new ATOM 1505 N GLU A 97 7.230 -13.619 -8.947 1.00 0.00 N ATOM 1506 CA GLU A 97 5.869 -14.222 -8.889 1.00 0.00 C ATOM 1507 C GLU A 97 5.981 -15.736 -9.082 1.00 0.00 C ATOM 1508 O GLU A 97 6.984 -16.241 -9.544 1.00 0.00 O ATOM 1509 CB GLU A 97 4.985 -13.630 -9.984 1.00 0.00 C ATOM 1510 CG GLU A 97 5.076 -12.103 -9.951 1.00 0.00 C ATOM 1511 CD GLU A 97 4.335 -11.573 -8.721 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.194 -12.323 -7.770 1.00 0.00 O ATOM 1513 OE2 GLU A 97 3.922 -10.426 -8.753 1.00 0.00 O ATOM 0 H GLU A 97 7.878 -14.073 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 97 5.421 -14.006 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.299 -14.002 -10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.952 -13.946 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.120 -11.791 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.643 -11.683 -10.859 1.00 0.00 H new ATOM 1520 N VAL A 98 4.966 -16.466 -8.705 1.00 0.00 N ATOM 1521 CA VAL A 98 5.013 -17.950 -8.833 1.00 0.00 C ATOM 1522 C VAL A 98 3.577 -18.489 -8.892 1.00 0.00 C ATOM 1523 O VAL A 98 2.640 -17.742 -9.076 1.00 0.00 O ATOM 1524 CB VAL A 98 5.721 -18.511 -7.596 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.291 -19.891 -7.900 1.00 0.00 C ATOM 1526 CG2 VAL A 98 6.865 -17.581 -7.184 1.00 0.00 C ATOM 0 H VAL A 98 4.101 -16.095 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 98 5.547 -18.244 -9.737 1.00 0.00 H new ATOM 0 HB VAL A 98 4.997 -18.586 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.792 -20.281 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.482 -20.564 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.007 -19.817 -8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.364 -17.986 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.581 -17.500 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.466 -16.594 -6.953 1.00 0.00 H new ATOM 1536 N GLN A 99 3.388 -19.776 -8.725 1.00 0.00 N ATOM 1537 CA GLN A 99 2.002 -20.333 -8.768 1.00 0.00 C ATOM 1538 C GLN A 99 1.250 -19.974 -7.484 1.00 0.00 C ATOM 1539 O GLN A 99 0.108 -20.342 -7.293 1.00 0.00 O ATOM 1540 CB GLN A 99 2.062 -21.854 -8.924 1.00 0.00 C ATOM 1541 CG GLN A 99 2.821 -22.460 -7.741 1.00 0.00 C ATOM 1542 CD GLN A 99 3.080 -23.943 -8.006 1.00 0.00 C ATOM 1543 OE1 GLN A 99 3.266 -24.347 -9.138 1.00 0.00 O ATOM 1544 NE2 GLN A 99 3.101 -24.780 -7.005 1.00 0.00 N ATOM 0 H GLN A 99 4.128 -20.459 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 99 1.474 -19.903 -9.619 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.054 -22.265 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.557 -22.115 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.765 -21.936 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.244 -22.339 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.945 -24.443 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.273 -25.771 -7.173 1.00 0.00 H new ATOM 1553 N GLY A 100 1.883 -19.248 -6.618 1.00 0.00 N ATOM 1554 CA GLY A 100 1.230 -18.831 -5.346 1.00 0.00 C ATOM 1555 C GLY A 100 1.798 -17.471 -4.941 1.00 0.00 C ATOM 1556 O GLY A 100 1.725 -17.062 -3.799 1.00 0.00 O ATOM 0 H GLY A 100 2.841 -18.918 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.150 -18.768 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.415 -19.568 -4.564 1.00 0.00 H new ATOM 1560 N HIS A 101 2.377 -16.774 -5.881 1.00 0.00 N ATOM 1561 CA HIS A 101 2.975 -15.443 -5.587 1.00 0.00 C ATOM 1562 C HIS A 101 2.355 -14.390 -6.514 1.00 0.00 C ATOM 1563 O HIS A 101 2.560 -13.204 -6.350 1.00 0.00 O ATOM 1564 CB HIS A 101 4.482 -15.526 -5.839 1.00 0.00 C ATOM 1565 CG HIS A 101 5.194 -15.843 -4.554 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.973 -16.909 -4.176 1.00 0.00 N flip ATOM 1567 CD2 HIS A 101 5.150 -14.999 -3.455 1.00 0.00 C flip ATOM 1568 CE1 HIS A 101 6.406 -16.732 -2.866 1.00 0.00 C flip ATOM 1569 NE2 HIS A 101 5.881 -15.565 -2.479 1.00 0.00 N flip ATOM 0 H HIS A 101 2.461 -17.075 -6.852 1.00 0.00 H new ATOM 0 HA HIS A 101 2.783 -15.162 -4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.694 -16.294 -6.583 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.845 -14.581 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.624 -14.058 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.032 -17.395 -2.286 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.018 -15.154 -1.556 1.00 0.00 H new ATOM 1577 N GLU A 102 1.606 -14.822 -7.493 1.00 0.00 N ATOM 1578 CA GLU A 102 0.973 -13.866 -8.447 1.00 0.00 C ATOM 1579 C GLU A 102 -0.413 -13.460 -7.930 1.00 0.00 C ATOM 1580 O GLU A 102 -1.229 -12.928 -8.652 1.00 0.00 O ATOM 1581 CB GLU A 102 0.840 -14.569 -9.803 1.00 0.00 C ATOM 1582 CG GLU A 102 -0.225 -15.670 -9.710 1.00 0.00 C ATOM 1583 CD GLU A 102 -1.609 -15.072 -9.970 1.00 0.00 C ATOM 1584 OE1 GLU A 102 -1.779 -14.450 -11.005 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -2.474 -15.246 -9.128 1.00 0.00 O ATOM 0 H GLU A 102 1.404 -15.805 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 102 1.582 -12.968 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.565 -13.848 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.798 -14.999 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.015 -16.455 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.198 -16.133 -8.724 1.00 0.00 H new ATOM 1592 N SER A 103 -0.672 -13.731 -6.682 1.00 0.00 N ATOM 1593 CA SER A 103 -2.000 -13.413 -6.067 1.00 0.00 C ATOM 1594 C SER A 103 -2.563 -12.053 -6.536 1.00 0.00 C ATOM 1595 O SER A 103 -3.008 -11.909 -7.658 1.00 0.00 O ATOM 1596 CB SER A 103 -1.852 -13.415 -4.544 1.00 0.00 C ATOM 1597 OG SER A 103 -0.757 -12.586 -4.178 1.00 0.00 O ATOM 0 H SER A 103 -0.007 -14.169 -6.045 1.00 0.00 H new ATOM 0 HA SER A 103 -2.709 -14.176 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.768 -13.054 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.690 -14.431 -4.184 1.00 0.00 H new ATOM 0 HG SER A 103 -0.660 -12.583 -3.203 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.597 -11.068 -5.670 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.181 -9.749 -6.056 1.00 0.00 C ATOM 1605 C GLU A 104 -2.227 -8.966 -6.956 1.00 0.00 C ATOM 1606 O GLU A 104 -2.646 -8.125 -7.725 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.464 -8.935 -4.791 1.00 0.00 C ATOM 1608 CG GLU A 104 -2.262 -9.022 -3.848 1.00 0.00 C ATOM 1609 CD GLU A 104 -2.267 -7.820 -2.903 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -2.937 -6.850 -3.214 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -1.599 -7.889 -1.885 1.00 0.00 O ATOM 0 H GLU A 104 -2.245 -11.123 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.104 -9.928 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.661 -7.895 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.357 -9.314 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.302 -9.949 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.336 -9.042 -4.423 1.00 0.00 H new ATOM 1618 N THR A 105 -0.953 -9.214 -6.869 1.00 0.00 N ATOM 1619 CA THR A 105 -0.002 -8.456 -7.728 1.00 0.00 C ATOM 1620 C THR A 105 -0.269 -8.783 -9.196 1.00 0.00 C ATOM 1621 O THR A 105 -0.387 -7.901 -10.027 1.00 0.00 O ATOM 1622 CB THR A 105 1.436 -8.839 -7.368 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.566 -8.910 -5.954 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.399 -7.787 -7.918 1.00 0.00 C ATOM 0 H THR A 105 -0.530 -9.902 -6.246 1.00 0.00 H new ATOM 0 HA THR A 105 -0.140 -7.387 -7.564 1.00 0.00 H new ATOM 0 HB THR A 105 1.674 -9.809 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.486 -9.157 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.422 -8.061 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.299 -7.734 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.163 -6.815 -7.484 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.372 -10.037 -9.529 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.637 -10.394 -10.945 1.00 0.00 C ATOM 1634 C PHE A 106 -2.046 -9.920 -11.281 1.00 0.00 C ATOM 1635 O PHE A 106 -2.246 -9.128 -12.178 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.537 -11.905 -11.099 1.00 0.00 C ATOM 1637 CG PHE A 106 0.244 -12.251 -12.351 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.379 -11.505 -12.695 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.152 -13.328 -13.153 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.115 -11.833 -13.842 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.587 -13.658 -14.299 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.719 -12.910 -14.643 1.00 0.00 C ATOM 0 H PHE A 106 -0.285 -10.824 -8.886 1.00 0.00 H new ATOM 0 HA PHE A 106 0.084 -9.926 -11.615 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.048 -12.336 -10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.535 -12.340 -11.152 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.687 -10.676 -12.075 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.026 -13.905 -12.890 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.988 -11.255 -14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.282 -14.490 -14.916 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.286 -13.164 -15.526 1.00 0.00 H new ATOM 1652 N ARG A 107 -3.029 -10.375 -10.546 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.419 -9.916 -10.808 1.00 0.00 C ATOM 1654 C ARG A 107 -4.382 -8.399 -10.976 1.00 0.00 C ATOM 1655 O ARG A 107 -5.181 -7.817 -11.682 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.317 -10.284 -9.625 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.763 -10.425 -10.105 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.212 -11.880 -9.955 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.128 -11.998 -8.786 1.00 0.00 N ATOM 1660 CZ ARG A 107 -8.330 -13.161 -8.230 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -8.294 -14.246 -8.955 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -8.566 -13.240 -6.949 1.00 0.00 N ATOM 0 H ARG A 107 -2.926 -11.041 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.817 -10.391 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.979 -11.218 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.252 -9.517 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.415 -9.771 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.843 -10.114 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.718 -12.211 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.346 -12.527 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.597 -11.170 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.108 -14.185 -9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.452 -15.155 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.593 -12.392 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.724 -14.149 -6.515 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.430 -7.760 -10.347 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.306 -6.287 -10.488 1.00 0.00 C ATOM 1678 C ALA A 108 -3.066 -5.987 -11.964 1.00 0.00 C ATOM 1679 O ALA A 108 -3.795 -5.248 -12.592 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.120 -5.787 -9.660 1.00 0.00 C ATOM 0 H ALA A 108 -2.735 -8.199 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.209 -5.789 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.032 -4.706 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.278 -6.037 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.204 -6.262 -10.013 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.052 -6.591 -12.524 1.00 0.00 N ATOM 1687 CA TYR A 109 -1.760 -6.382 -13.968 1.00 0.00 C ATOM 1688 C TYR A 109 -2.792 -7.152 -14.801 1.00 0.00 C ATOM 1689 O TYR A 109 -2.800 -7.084 -16.014 1.00 0.00 O ATOM 1690 CB TYR A 109 -0.360 -6.917 -14.282 1.00 0.00 C ATOM 1691 CG TYR A 109 0.652 -6.232 -13.397 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.963 -4.883 -13.602 1.00 0.00 C ATOM 1693 CD2 TYR A 109 1.281 -6.948 -12.372 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.903 -4.249 -12.781 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.221 -6.314 -11.551 1.00 0.00 C ATOM 1696 CZ TYR A 109 2.532 -4.965 -11.755 1.00 0.00 C ATOM 1697 OH TYR A 109 3.459 -4.340 -10.946 1.00 0.00 O ATOM 0 H TYR A 109 -1.413 -7.222 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.808 -5.319 -14.206 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.327 -7.995 -14.123 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.119 -6.742 -15.331 1.00 0.00 H new ATOM 0 HD1 TYR A 109 0.478 -4.331 -14.394 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.041 -7.989 -12.215 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.143 -3.208 -12.939 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.706 -6.866 -10.760 1.00 0.00 H new ATOM 0 HH TYR A 109 4.341 -4.372 -11.373 1.00 0.00 H new ATOM 1707 N PHE A 110 -3.662 -7.886 -14.155 1.00 0.00 N ATOM 1708 CA PHE A 110 -4.689 -8.664 -14.905 1.00 0.00 C ATOM 1709 C PHE A 110 -6.087 -8.195 -14.502 1.00 0.00 C ATOM 1710 O PHE A 110 -6.673 -8.694 -13.561 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.542 -10.149 -14.581 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.398 -10.729 -15.377 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.082 -10.575 -14.927 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -3.654 -11.429 -16.561 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.022 -11.119 -15.660 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -2.594 -11.973 -17.296 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.278 -11.818 -16.845 1.00 0.00 C ATOM 0 H PHE A 110 -3.704 -7.979 -13.140 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.548 -8.507 -15.974 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.361 -10.283 -13.514 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.466 -10.676 -14.816 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.884 -10.035 -14.013 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.670 -11.550 -16.908 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.007 -11.000 -15.312 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -2.792 -12.512 -18.211 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.460 -12.238 -17.412 1.00 0.00 H new ATOM 1727 N LYS A 111 -6.628 -7.240 -15.206 1.00 0.00 N ATOM 1728 CA LYS A 111 -7.989 -6.740 -14.864 1.00 0.00 C ATOM 1729 C LYS A 111 -9.040 -7.538 -15.639 1.00 0.00 C ATOM 1730 O LYS A 111 -10.063 -7.015 -16.032 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.098 -5.259 -15.238 1.00 0.00 C ATOM 1732 CG LYS A 111 -9.427 -4.699 -14.726 1.00 0.00 C ATOM 1733 CD LYS A 111 -9.162 -3.741 -13.562 1.00 0.00 C ATOM 1734 CE LYS A 111 -9.136 -4.525 -12.249 1.00 0.00 C ATOM 1735 NZ LYS A 111 -9.851 -3.753 -11.195 1.00 0.00 N ATOM 0 H LYS A 111 -6.186 -6.784 -16.004 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.159 -6.860 -13.794 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.266 -4.702 -14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.034 -5.141 -16.320 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.948 -4.177 -15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.076 -5.512 -14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.212 -3.227 -13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.936 -2.975 -13.525 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.608 -5.498 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.106 -4.710 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.833 -4.286 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.382 -2.835 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.837 -3.599 -11.487 1.00 0.00 H new ATOM 1749 N GLN A 112 -8.798 -8.801 -15.865 1.00 0.00 N ATOM 1750 CA GLN A 112 -9.787 -9.623 -16.618 1.00 0.00 C ATOM 1751 C GLN A 112 -10.092 -10.905 -15.839 1.00 0.00 C ATOM 1752 O GLN A 112 -11.161 -11.066 -15.287 1.00 0.00 O ATOM 1753 CB GLN A 112 -9.214 -9.984 -17.989 1.00 0.00 C ATOM 1754 CG GLN A 112 -10.172 -9.512 -19.084 1.00 0.00 C ATOM 1755 CD GLN A 112 -11.417 -10.400 -19.090 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -11.314 -11.610 -19.061 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -12.599 -9.847 -19.128 1.00 0.00 N ATOM 0 H GLN A 112 -7.960 -9.298 -15.561 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.706 -9.051 -16.747 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.237 -9.519 -18.120 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.066 -11.062 -18.061 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.454 -8.473 -18.912 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.679 -9.552 -20.055 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.686 -8.831 -19.152 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.435 -10.431 -19.133 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.162 -11.821 -15.791 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.408 -13.089 -15.049 1.00 0.00 C ATOM 1768 C GLY A 113 -8.121 -13.914 -14.993 1.00 0.00 C ATOM 1769 O GLY A 113 -7.513 -14.206 -16.003 1.00 0.00 O ATOM 0 H GLY A 113 -8.246 -11.746 -16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.754 -12.869 -14.039 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.196 -13.661 -15.539 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.706 -14.294 -13.817 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.460 -15.105 -13.685 1.00 0.00 C ATOM 1775 C LEU A 114 -6.795 -16.596 -13.736 1.00 0.00 C ATOM 1776 O LEU A 114 -7.593 -17.096 -12.968 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.778 -14.787 -12.342 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.556 -13.849 -12.497 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -4.447 -13.246 -13.897 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.665 -12.700 -11.511 1.00 0.00 C ATOM 0 H LEU A 114 -8.176 -14.078 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.790 -14.858 -14.508 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.503 -14.324 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.459 -15.717 -11.872 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.672 -14.459 -12.311 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.572 -12.597 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.348 -14.046 -14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.343 -12.664 -14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.803 -12.042 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.579 -12.138 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.691 -13.094 -10.495 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.169 -17.308 -14.631 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.416 -18.772 -14.741 1.00 0.00 C ATOM 1794 C ILE A 115 -5.060 -19.486 -14.736 1.00 0.00 C ATOM 1795 O ILE A 115 -4.024 -18.868 -14.886 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.198 -19.065 -16.041 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.652 -19.391 -15.680 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -6.584 -20.252 -16.802 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.355 -20.035 -16.879 1.00 0.00 C ATOM 0 H ILE A 115 -5.492 -16.935 -15.296 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.013 -19.131 -13.903 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.150 -18.186 -16.684 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.681 -20.066 -14.825 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.176 -18.481 -15.386 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.155 -20.435 -17.712 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.551 -20.022 -17.062 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.611 -21.141 -16.172 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.388 -20.264 -16.615 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.340 -19.345 -17.723 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -8.838 -20.955 -17.153 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.054 -20.777 -14.564 1.00 0.00 N ATOM 1812 CA TYR A 116 -3.757 -21.510 -14.551 1.00 0.00 C ATOM 1813 C TYR A 116 -3.965 -22.928 -15.084 1.00 0.00 C ATOM 1814 O TYR A 116 -4.621 -23.745 -14.469 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.201 -21.570 -13.124 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.795 -20.460 -12.286 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -3.319 -19.150 -12.422 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -4.820 -20.741 -11.376 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -3.868 -18.122 -11.647 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.369 -19.712 -10.601 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.893 -18.402 -10.737 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.435 -17.389 -9.973 1.00 0.00 O ATOM 0 H TYR A 116 -5.885 -21.354 -14.433 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.044 -20.985 -15.186 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.431 -22.537 -12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.115 -21.479 -13.145 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.528 -18.933 -13.125 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -5.188 -21.751 -11.271 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.500 -17.112 -11.752 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.160 -19.929 -9.898 1.00 0.00 H new ATOM 0 HH TYR A 116 -6.136 -17.755 -9.394 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.412 -23.222 -16.228 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.577 -24.583 -16.814 1.00 0.00 C ATOM 1834 C LYS A 117 -2.368 -25.452 -16.456 1.00 0.00 C ATOM 1835 O LYS A 117 -1.649 -25.180 -15.517 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.675 -24.472 -18.334 1.00 0.00 C ATOM 1837 CG LYS A 117 -4.368 -23.163 -18.715 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.783 -23.146 -18.134 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.654 -24.158 -18.882 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.683 -23.432 -19.680 1.00 0.00 N ATOM 0 H LYS A 117 -2.851 -22.577 -16.784 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.484 -25.037 -16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.679 -24.509 -18.775 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.232 -25.319 -18.734 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.798 -22.314 -18.337 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.408 -23.063 -19.800 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.754 -23.390 -17.072 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.211 -22.147 -18.221 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.036 -24.772 -19.537 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.136 -24.833 -18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.276 -24.119 -20.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.279 -22.865 -19.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.213 -22.806 -20.365 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.140 -26.499 -17.203 1.00 0.00 N ATOM 1855 CA GLN A 118 -0.975 -27.384 -16.913 1.00 0.00 C ATOM 1856 C GLN A 118 0.244 -26.904 -17.704 1.00 0.00 C ATOM 1857 O GLN A 118 0.133 -26.096 -18.603 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.314 -28.821 -17.317 1.00 0.00 C ATOM 1859 CG GLN A 118 -1.026 -29.762 -16.145 1.00 0.00 C ATOM 1860 CD GLN A 118 -0.509 -31.100 -16.679 1.00 0.00 C ATOM 1861 OE1 GLN A 118 0.666 -31.244 -16.953 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -1.343 -32.090 -16.841 1.00 0.00 N ATOM 0 H GLN A 118 -2.710 -26.779 -18.001 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.750 -27.349 -15.847 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.363 -28.891 -17.604 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -0.725 -29.114 -18.186 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.288 -29.315 -15.479 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.932 -29.918 -15.559 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.329 -31.969 -16.611 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.009 -32.985 -17.198 1.00 0.00 H new ATOM 1871 N GLY A 119 1.407 -27.401 -17.378 1.00 0.00 N ATOM 1872 CA GLY A 119 2.634 -26.975 -18.111 1.00 0.00 C ATOM 1873 C GLY A 119 2.736 -27.740 -19.432 1.00 0.00 C ATOM 1874 O GLY A 119 1.778 -28.327 -19.895 1.00 0.00 O ATOM 0 H GLY A 119 1.560 -28.084 -16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.601 -25.902 -18.302 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.518 -27.163 -17.501 1.00 0.00 H new ATOM 1878 N GLY A 120 3.890 -27.737 -20.044 1.00 0.00 N ATOM 1879 CA GLY A 120 4.049 -28.463 -21.335 1.00 0.00 C ATOM 1880 C GLY A 120 3.120 -27.849 -22.383 1.00 0.00 C ATOM 1881 O GLY A 120 1.989 -27.507 -22.100 1.00 0.00 O ATOM 0 H GLY A 120 4.728 -27.264 -19.705 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.084 -28.405 -21.672 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.816 -29.519 -21.201 1.00 0.00 H new ATOM 1885 N VAL A 121 3.586 -27.709 -23.594 1.00 0.00 N ATOM 1886 CA VAL A 121 2.737 -27.123 -24.658 1.00 0.00 C ATOM 1887 C VAL A 121 1.976 -28.256 -25.359 1.00 0.00 C ATOM 1888 O VAL A 121 1.600 -29.233 -24.743 1.00 0.00 O ATOM 1889 CB VAL A 121 3.641 -26.363 -25.642 1.00 0.00 C ATOM 1890 CG1 VAL A 121 4.294 -27.341 -26.624 1.00 0.00 C ATOM 1891 CG2 VAL A 121 2.816 -25.325 -26.408 1.00 0.00 C ATOM 0 H VAL A 121 4.524 -27.978 -23.889 1.00 0.00 H new ATOM 0 HA VAL A 121 2.010 -26.424 -24.244 1.00 0.00 H new ATOM 0 HB VAL A 121 4.425 -25.854 -25.081 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.932 -26.791 -27.316 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.896 -28.063 -26.072 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.520 -27.866 -27.184 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.461 -24.789 -27.104 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.023 -25.827 -26.962 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.376 -24.619 -25.704 1.00 0.00 H new