USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 CYS SG : rot 172:sc= -3.04! USER MOD Set 1.2: B 108 CYS SG : rot -64:sc= -1.31 USER MOD Set 1.3: B 126 CYS SG : rot 119:sc= -2.76! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.61 K(o=-8.7,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot -167:sc= -4.95! USER MOD Set 2.2: B 82 CYS SG : rot -108:sc= -0.678 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.93! C(o=-10!,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.467 K(o=-10,f=-13) USER MOD Set 3.1: A 48 ASN : amide:sc= -26! C(o=-27!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.98 K(o=-27,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -155:sc= -1.18 (180deg=-3.26!) USER MOD Set 4.2: A 46 CYS SG : rot 15:sc= 0.55 USER MOD Set 5.1: A 10 GLN : amide:sc= -0.412 X(o=-0.36,f=-0.33) USER MOD Set 5.2: A 30 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -177:sc= -0.355 (180deg=-0.463) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 11 THR OG1 : rot -113:sc= 1.21! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.44 USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.75 USER MOD Single : A 24 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0111 (180deg=-0.167) USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -16.4! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0568 K(o=-0.057,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -1.53 (180deg=-1.76) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -173:sc= -5.8! USER MOD Single : A 71 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-1.7!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.11! K(o=-4.1!,f=-0.35) USER MOD Single : B 94 MET CE :methyl -158:sc= -1.19 (180deg=-3.24!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.117) USER MOD Single : B 97 GLN : amide:sc= -7.03! K(o=-7!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -150:sc= -1.14 (180deg=-2.71!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.137 (180deg=-1.01) USER MOD Single : B 115 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-0.63) USER MOD Single : B 117 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-1.1) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.698 USER MOD Single : B 121 LYS NZ :NH3+ -163:sc=-0.000913 (180deg=-0.228) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -103:sc= 0.787 USER MOD Single : B 131 ASN : amide:sc= -0.568 K(o=-0.57,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.711 K(o=-0.71,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.010 -11.244 -27.651 1.00 0.00 N ATOM 2 CA GLN A 1 -10.852 -10.826 -28.492 1.00 0.00 C ATOM 3 C GLN A 1 -9.897 -9.973 -27.655 1.00 0.00 C ATOM 4 O GLN A 1 -8.945 -9.412 -28.160 1.00 0.00 O ATOM 5 CB GLN A 1 -11.356 -10.006 -29.681 1.00 0.00 C ATOM 6 CG GLN A 1 -12.353 -10.839 -30.489 1.00 0.00 C ATOM 7 CD GLN A 1 -12.623 -10.153 -31.831 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.188 -10.621 -32.863 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.328 -9.056 -31.857 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.634 -11.866 -28.204 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.664 -11.756 -26.814 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.540 -10.402 -27.348 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.328 -11.710 -28.855 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.832 -9.090 -29.330 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.519 -9.708 -30.312 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.956 -11.841 -30.654 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.284 -10.952 -29.933 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.693 -8.664 -30.989 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.514 -8.590 -32.745 1.00 0.00 H new ATOM 20 N GLY A 2 -10.143 -9.870 -26.376 1.00 0.00 N ATOM 21 CA GLY A 2 -9.248 -9.054 -25.509 1.00 0.00 C ATOM 22 C GLY A 2 -9.571 -9.325 -24.041 1.00 0.00 C ATOM 23 O GLY A 2 -10.181 -8.517 -23.368 1.00 0.00 O ATOM 0 H GLY A 2 -10.925 -10.316 -25.896 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.205 -9.298 -25.714 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.377 -7.995 -25.731 1.00 0.00 H new ATOM 27 N SER A 3 -9.169 -10.457 -23.533 1.00 0.00 N ATOM 28 CA SER A 3 -9.455 -10.778 -22.107 1.00 0.00 C ATOM 29 C SER A 3 -8.527 -11.900 -21.638 1.00 0.00 C ATOM 30 O SER A 3 -8.906 -12.740 -20.846 1.00 0.00 O ATOM 31 CB SER A 3 -10.909 -11.227 -21.968 1.00 0.00 C ATOM 32 OG SER A 3 -11.105 -12.422 -22.712 1.00 0.00 O ATOM 0 H SER A 3 -8.654 -11.174 -24.044 1.00 0.00 H new ATOM 0 HA SER A 3 -9.288 -9.891 -21.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.151 -11.395 -20.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.579 -10.446 -22.329 1.00 0.00 H new ATOM 0 HG SER A 3 -12.036 -12.713 -22.623 1.00 0.00 H new ATOM 38 N ARG A 4 -7.314 -11.919 -22.118 1.00 0.00 N ATOM 39 CA ARG A 4 -6.364 -12.986 -21.694 1.00 0.00 C ATOM 40 C ARG A 4 -5.914 -12.715 -20.258 1.00 0.00 C ATOM 41 O ARG A 4 -5.827 -11.582 -19.829 1.00 0.00 O ATOM 42 CB ARG A 4 -5.144 -12.981 -22.621 1.00 0.00 C ATOM 43 CG ARG A 4 -4.180 -14.099 -22.208 1.00 0.00 C ATOM 44 CD ARG A 4 -3.006 -14.163 -23.188 1.00 0.00 C ATOM 45 NE ARG A 4 -3.510 -14.141 -24.603 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.362 -15.030 -25.045 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.673 -16.068 -24.320 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.866 -14.903 -26.244 1.00 0.00 N ATOM 0 H ARG A 4 -6.940 -11.243 -22.784 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.855 -13.958 -21.748 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.459 -13.122 -23.655 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.640 -12.016 -22.571 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.812 -13.919 -21.198 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.704 -15.055 -22.191 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.336 -13.320 -23.020 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.427 -15.070 -23.014 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.179 -13.413 -25.236 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.251 -16.192 -23.400 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.338 -16.756 -24.673 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.595 -14.114 -26.830 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.531 -15.593 -26.594 1.00 0.00 H new ATOM 62 N VAL A 5 -5.630 -13.744 -19.507 1.00 0.00 N ATOM 63 CA VAL A 5 -5.189 -13.533 -18.101 1.00 0.00 C ATOM 64 C VAL A 5 -3.830 -12.828 -18.098 1.00 0.00 C ATOM 65 O VAL A 5 -2.794 -13.459 -18.159 1.00 0.00 O ATOM 66 CB VAL A 5 -5.068 -14.887 -17.399 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.754 -14.667 -15.915 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.388 -15.648 -17.530 1.00 0.00 C ATOM 0 H VAL A 5 -5.684 -14.718 -19.806 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.918 -12.917 -17.575 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.266 -15.464 -17.860 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.668 -15.631 -15.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.814 -14.123 -15.819 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.556 -14.090 -15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.303 -16.613 -17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.189 -15.070 -17.069 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.615 -15.804 -18.585 1.00 0.00 H new ATOM 78 N LEU A 6 -3.836 -11.521 -18.015 1.00 0.00 N ATOM 79 CA LEU A 6 -2.559 -10.738 -17.991 1.00 0.00 C ATOM 80 C LEU A 6 -2.525 -9.932 -16.700 1.00 0.00 C ATOM 81 O LEU A 6 -1.594 -10.009 -15.922 1.00 0.00 O ATOM 82 CB LEU A 6 -2.516 -9.783 -19.190 1.00 0.00 C ATOM 83 CG LEU A 6 -2.319 -10.576 -20.498 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.814 -9.743 -21.684 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.832 -10.903 -20.709 1.00 0.00 C ATOM 0 H LEU A 6 -4.683 -10.954 -17.962 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.703 -11.410 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.441 -9.209 -19.240 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.704 -9.067 -19.065 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.886 -11.504 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.674 -10.305 -22.607 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.872 -9.517 -21.554 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.249 -8.813 -21.736 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.711 -11.463 -21.636 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.260 -9.977 -20.767 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.469 -11.502 -19.874 1.00 0.00 H new ATOM 97 N HIS A 7 -3.551 -9.158 -16.467 1.00 0.00 N ATOM 98 CA HIS A 7 -3.618 -8.337 -15.230 1.00 0.00 C ATOM 99 C HIS A 7 -5.071 -8.254 -14.767 1.00 0.00 C ATOM 100 O HIS A 7 -5.712 -7.231 -14.892 1.00 0.00 O ATOM 101 CB HIS A 7 -3.092 -6.929 -15.520 1.00 0.00 C ATOM 102 CG HIS A 7 -1.686 -7.020 -16.049 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.609 -7.338 -15.235 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.166 -6.835 -17.307 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.494 -7.335 -16.004 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.212 -7.035 -17.277 1.00 0.00 N ATOM 0 H HIS A 7 -4.353 -9.061 -17.090 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.008 -8.794 -14.451 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.734 -6.431 -16.247 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.112 -6.327 -14.612 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.647 -7.538 -14.235 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.738 -6.574 -18.185 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.487 -7.549 -15.638 1.00 0.00 H new ATOM 114 N VAL A 8 -5.596 -9.314 -14.218 1.00 0.00 N ATOM 115 CA VAL A 8 -7.002 -9.278 -13.736 1.00 0.00 C ATOM 116 C VAL A 8 -7.029 -8.358 -12.522 1.00 0.00 C ATOM 117 O VAL A 8 -6.001 -8.135 -11.916 1.00 0.00 O ATOM 118 CB VAL A 8 -7.442 -10.690 -13.338 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.734 -10.613 -12.529 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.685 -11.524 -14.600 1.00 0.00 C ATOM 0 H VAL A 8 -5.112 -10.202 -14.083 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.679 -8.916 -14.510 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.661 -11.155 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.047 -11.618 -12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.566 -10.019 -11.631 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.513 -10.147 -13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.998 -12.529 -14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.465 -11.056 -15.201 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.765 -11.581 -15.181 1.00 0.00 H new ATOM 130 N VAL A 9 -8.162 -7.792 -12.149 1.00 0.00 N ATOM 131 CA VAL A 9 -8.139 -6.873 -10.968 1.00 0.00 C ATOM 132 C VAL A 9 -9.432 -6.970 -10.155 1.00 0.00 C ATOM 133 O VAL A 9 -10.526 -6.898 -10.678 1.00 0.00 O ATOM 134 CB VAL A 9 -7.933 -5.421 -11.448 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.828 -5.370 -12.508 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.230 -4.889 -12.063 1.00 0.00 C ATOM 0 H VAL A 9 -9.069 -7.923 -12.597 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.314 -7.172 -10.322 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.649 -4.808 -10.592 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.690 -4.341 -12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.897 -5.741 -12.081 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.110 -5.991 -13.358 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.079 -3.864 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.513 -5.512 -12.912 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.023 -4.912 -11.316 1.00 0.00 H new ATOM 146 N GLN A 10 -9.291 -7.112 -8.863 1.00 0.00 N ATOM 147 CA GLN A 10 -10.474 -7.193 -7.960 1.00 0.00 C ATOM 148 C GLN A 10 -10.700 -5.826 -7.310 1.00 0.00 C ATOM 149 O GLN A 10 -9.797 -5.230 -6.757 1.00 0.00 O ATOM 150 CB GLN A 10 -10.218 -8.238 -6.873 1.00 0.00 C ATOM 151 CG GLN A 10 -10.070 -9.620 -7.510 1.00 0.00 C ATOM 152 CD GLN A 10 -11.381 -10.008 -8.197 1.00 0.00 C ATOM 153 OE1 GLN A 10 -12.432 -9.978 -7.587 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.367 -10.373 -9.450 1.00 0.00 N ATOM 0 H GLN A 10 -8.390 -7.176 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.355 -7.479 -8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.315 -7.985 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.041 -8.243 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.256 -9.613 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.814 -10.357 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.486 -10.399 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.237 -10.632 -9.915 1.00 0.00 H new ATOM 163 N THR A 11 -11.903 -5.328 -7.375 1.00 0.00 N ATOM 164 CA THR A 11 -12.209 -4.001 -6.769 1.00 0.00 C ATOM 165 C THR A 11 -12.010 -4.042 -5.268 1.00 0.00 C ATOM 166 O THR A 11 -12.115 -5.066 -4.624 1.00 0.00 O ATOM 167 CB THR A 11 -13.655 -3.646 -7.060 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.886 -3.731 -8.456 1.00 0.00 O ATOM 169 CG2 THR A 11 -13.980 -2.229 -6.561 1.00 0.00 C ATOM 0 H THR A 11 -12.694 -5.787 -7.826 1.00 0.00 H new ATOM 0 HA THR A 11 -11.537 -3.257 -7.197 1.00 0.00 H new ATOM 0 HB THR A 11 -14.303 -4.349 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.064 -2.836 -8.813 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.022 -1.996 -6.780 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.815 -2.175 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.334 -1.509 -7.063 1.00 0.00 H new ATOM 177 N LEU A 12 -11.740 -2.903 -4.720 1.00 5.40 N ATOM 178 CA LEU A 12 -11.534 -2.762 -3.251 1.00 9.02 C ATOM 179 C LEU A 12 -12.673 -1.899 -2.715 1.00 10.54 C ATOM 180 O LEU A 12 -12.937 -1.866 -1.528 1.00 10.21 O ATOM 181 CB LEU A 12 -10.190 -2.041 -2.967 1.00 7.97 C ATOM 182 CG LEU A 12 -8.902 -2.865 -3.344 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.674 -1.954 -3.281 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.630 -4.065 -2.419 1.00 6.66 C ATOM 0 H LEU A 12 -11.649 -2.031 -5.241 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.515 -3.743 -2.777 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.176 -1.100 -3.518 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.146 -1.791 -1.907 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.085 -3.251 -4.347 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.783 -2.525 -3.542 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.796 -1.130 -3.984 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.567 -1.557 -2.272 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.726 -4.579 -2.746 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.497 -3.713 -1.396 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.474 -4.754 -2.459 1.00 6.66 H new ATOM 196 N TYR A 13 -13.355 -1.185 -3.580 1.00 12.19 N ATOM 197 CA TYR A 13 -14.481 -0.315 -3.100 1.00 12.32 C ATOM 198 C TYR A 13 -15.577 -0.185 -4.187 1.00 14.17 C ATOM 199 O TYR A 13 -15.254 -0.131 -5.357 1.00 14.79 O ATOM 200 CB TYR A 13 -13.929 1.080 -2.783 1.00 14.83 C ATOM 201 CG TYR A 13 -12.621 0.951 -2.041 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.618 0.644 -0.674 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.408 1.139 -2.716 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.406 0.527 0.015 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.195 1.022 -2.027 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.194 0.715 -0.661 1.00 12.35 C ATOM 207 OH TYR A 13 -9.000 0.600 0.019 1.00 12.20 O ATOM 0 H TYR A 13 -13.185 -1.165 -4.586 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.920 -0.767 -2.211 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.781 1.642 -3.705 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.646 1.638 -2.181 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.552 0.498 -0.152 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.409 1.375 -3.770 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.405 0.292 1.069 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.261 1.168 -2.549 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.255 0.759 -0.598 1.00 12.20 H new ATOM 217 N PRO A 14 -16.850 -0.107 -3.790 1.00 0.00 N ATOM 218 CA PRO A 14 -17.957 0.052 -4.766 1.00 0.00 C ATOM 219 C PRO A 14 -17.935 1.487 -5.317 1.00 0.00 C ATOM 220 O PRO A 14 -18.661 2.348 -4.859 1.00 0.00 O ATOM 221 CB PRO A 14 -19.239 -0.189 -3.941 1.00 0.00 C ATOM 222 CG PRO A 14 -18.841 -0.060 -2.445 1.00 0.00 C ATOM 223 CD PRO A 14 -17.301 -0.176 -2.374 1.00 0.00 C ATOM 0 HA PRO A 14 -17.885 -0.629 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.008 0.538 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.652 -1.177 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.175 0.895 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.314 -0.842 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.870 0.631 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.996 -1.112 -1.907 1.00 0.00 H new ATOM 231 N PHE A 15 -17.100 1.758 -6.278 1.00 0.00 N ATOM 232 CA PHE A 15 -17.028 3.144 -6.830 1.00 0.00 C ATOM 233 C PHE A 15 -18.265 3.462 -7.659 1.00 0.00 C ATOM 234 O PHE A 15 -19.070 2.604 -7.965 1.00 0.00 O ATOM 235 CB PHE A 15 -15.797 3.279 -7.721 1.00 0.00 C ATOM 236 CG PHE A 15 -15.566 4.738 -8.095 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.399 5.717 -7.099 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.511 5.112 -9.447 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.182 7.052 -7.457 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.293 6.450 -9.800 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.130 7.418 -8.806 1.00 0.00 C ATOM 0 H PHE A 15 -16.465 1.085 -6.706 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.969 3.840 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.921 2.887 -7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.927 2.682 -8.624 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.438 5.438 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.637 4.366 -10.217 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.054 7.802 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.251 6.733 -10.841 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.964 8.450 -9.079 1.00 0.00 H new ATOM 251 N SER A 16 -18.411 4.707 -8.034 1.00 0.00 N ATOM 252 CA SER A 16 -19.584 5.126 -8.859 1.00 0.00 C ATOM 253 C SER A 16 -19.121 6.085 -9.951 1.00 0.00 C ATOM 254 O SER A 16 -18.725 7.204 -9.694 1.00 0.00 O ATOM 255 CB SER A 16 -20.619 5.819 -7.971 1.00 0.00 C ATOM 256 OG SER A 16 -21.205 4.862 -7.099 1.00 0.00 O ATOM 0 H SER A 16 -17.761 5.458 -7.802 1.00 0.00 H new ATOM 0 HA SER A 16 -20.036 4.246 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.146 6.613 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.388 6.287 -8.586 1.00 0.00 H new ATOM 0 HG SER A 16 -21.868 5.303 -6.527 1.00 0.00 H new ATOM 262 N SER A 17 -19.170 5.637 -11.175 1.00 0.00 N ATOM 263 CA SER A 17 -18.739 6.479 -12.326 1.00 0.00 C ATOM 264 C SER A 17 -19.793 6.357 -13.428 1.00 0.00 C ATOM 265 O SER A 17 -19.950 5.313 -14.027 1.00 0.00 O ATOM 266 CB SER A 17 -17.371 5.976 -12.805 1.00 0.00 C ATOM 267 OG SER A 17 -16.594 7.080 -13.238 1.00 0.00 O ATOM 0 H SER A 17 -19.497 4.705 -11.430 1.00 0.00 H new ATOM 0 HA SER A 17 -18.646 7.528 -12.046 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.860 5.451 -11.998 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.497 5.263 -13.620 1.00 0.00 H new ATOM 0 HG SER A 17 -15.646 6.833 -13.239 1.00 0.00 H new ATOM 273 N VAL A 18 -20.515 7.419 -13.702 1.00 0.00 N ATOM 274 CA VAL A 18 -21.560 7.365 -14.754 1.00 0.00 C ATOM 275 C VAL A 18 -21.384 8.548 -15.693 1.00 0.00 C ATOM 276 O VAL A 18 -21.892 9.633 -15.494 1.00 0.00 O ATOM 277 CB VAL A 18 -22.944 7.436 -14.090 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.243 6.113 -13.380 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.963 8.573 -13.064 1.00 0.00 C ATOM 0 H VAL A 18 -20.419 8.321 -13.236 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.473 6.437 -15.319 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.699 7.619 -14.854 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.225 6.166 -12.910 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.232 5.300 -14.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.486 5.930 -12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.945 8.622 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.205 8.389 -12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.752 9.518 -13.564 1.00 0.00 H new ATOM 289 N THR A 19 -20.683 8.293 -16.737 1.00 38.32 N ATOM 290 CA THR A 19 -20.437 9.315 -17.798 1.00 37.06 C ATOM 291 C THR A 19 -20.419 8.593 -19.135 1.00 36.60 C ATOM 292 O THR A 19 -21.016 7.548 -19.307 1.00 36.42 O ATOM 293 CB THR A 19 -19.079 10.023 -17.579 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.845 10.166 -16.187 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.098 11.413 -18.231 1.00 37.86 C ATOM 0 H THR A 19 -20.248 7.389 -16.919 1.00 38.32 H new ATOM 0 HA THR A 19 -21.220 10.073 -17.768 1.00 37.06 H new ATOM 0 HB THR A 19 -18.288 9.425 -18.032 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.178 10.869 -16.038 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.138 11.903 -18.071 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.279 11.311 -19.301 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.890 12.014 -17.784 1.00 37.86 H new ATOM 303 N GLU A 20 -19.707 9.128 -20.065 1.00 36.33 N ATOM 304 CA GLU A 20 -19.584 8.511 -21.361 1.00 36.39 C ATOM 305 C GLU A 20 -18.497 7.431 -21.241 1.00 30.94 C ATOM 306 O GLU A 20 -18.705 6.286 -21.594 1.00 31.73 O ATOM 307 CB GLU A 20 -19.233 9.653 -22.324 1.00 41.00 C ATOM 308 CG GLU A 20 -20.403 10.562 -22.439 1.00 49.07 C ATOM 309 CD GLU A 20 -20.059 11.763 -23.321 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.944 11.812 -23.810 1.00 54.38 O ATOM 311 OE2 GLU A 20 -20.919 12.612 -23.492 1.00 55.13 O ATOM 0 H GLU A 20 -19.191 10.002 -19.960 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.482 8.015 -21.730 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.364 10.201 -21.958 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.969 9.253 -23.303 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.251 10.023 -22.862 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.705 10.904 -21.449 1.00 49.07 H new ATOM 318 N GLU A 21 -17.330 7.801 -20.782 1.00 0.00 N ATOM 319 CA GLU A 21 -16.207 6.857 -20.665 1.00 0.00 C ATOM 320 C GLU A 21 -15.913 6.536 -19.181 1.00 0.00 C ATOM 321 O GLU A 21 -14.788 6.253 -18.818 1.00 0.00 O ATOM 322 CB GLU A 21 -15.020 7.571 -21.312 1.00 0.00 C ATOM 323 CG GLU A 21 -15.284 7.731 -22.799 1.00 0.00 C ATOM 324 CD GLU A 21 -14.149 8.521 -23.454 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.225 8.886 -22.749 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.225 8.749 -24.650 1.00 0.00 O ATOM 0 H GLU A 21 -17.114 8.750 -20.477 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.422 5.904 -21.148 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.871 8.547 -20.850 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.105 7.000 -21.152 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.373 6.751 -23.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.232 8.246 -22.954 1.00 0.00 H new ATOM 333 N GLU A 22 -16.903 6.590 -18.323 1.00 0.00 N ATOM 334 CA GLU A 22 -16.664 6.300 -16.866 1.00 0.00 C ATOM 335 C GLU A 22 -17.110 4.858 -16.540 1.00 0.00 C ATOM 336 O GLU A 22 -17.982 4.308 -17.183 1.00 0.00 O ATOM 337 CB GLU A 22 -17.464 7.332 -16.035 1.00 0.00 C ATOM 338 CG GLU A 22 -16.550 8.487 -15.579 1.00 0.00 C ATOM 339 CD GLU A 22 -16.050 9.261 -16.800 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.151 8.732 -17.893 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.575 10.370 -16.621 1.00 0.00 O ATOM 0 H GLU A 22 -17.867 6.822 -18.564 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.604 6.382 -16.624 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.288 7.726 -16.630 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.904 6.844 -15.165 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.096 9.154 -14.912 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.705 8.094 -15.014 1.00 0.00 H new ATOM 348 N LEU A 23 -16.481 4.235 -15.557 1.00 11.68 N ATOM 349 CA LEU A 23 -16.824 2.811 -15.191 1.00 7.71 C ATOM 350 C LEU A 23 -17.503 2.751 -13.812 1.00 8.71 C ATOM 351 O LEU A 23 -16.871 2.963 -12.799 1.00 10.83 O ATOM 352 CB LEU A 23 -15.510 1.992 -15.118 1.00 7.16 C ATOM 353 CG LEU A 23 -15.741 0.461 -15.239 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.001 0.003 -14.500 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.856 0.054 -16.706 1.00 2.00 C ATOM 0 H LEU A 23 -15.743 4.654 -14.992 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.503 2.408 -15.943 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.841 2.317 -15.915 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.008 2.205 -14.174 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.879 -0.022 -14.779 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.119 -1.075 -14.615 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.911 0.248 -13.442 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.872 0.509 -14.917 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.018 -1.022 -16.774 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.696 0.577 -17.164 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.937 0.316 -17.230 1.00 2.00 H new ATOM 367 N ASN A 24 -18.767 2.420 -13.760 1.00 0.00 N ATOM 368 CA ASN A 24 -19.454 2.289 -12.435 1.00 0.00 C ATOM 369 C ASN A 24 -19.398 0.808 -12.064 1.00 0.00 C ATOM 370 O ASN A 24 -19.758 -0.036 -12.860 1.00 0.00 O ATOM 371 CB ASN A 24 -20.920 2.734 -12.553 1.00 0.00 C ATOM 372 CG ASN A 24 -21.716 2.263 -11.331 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.861 1.880 -11.451 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.149 2.271 -10.156 1.00 0.00 N ATOM 0 H ASN A 24 -19.354 2.235 -14.573 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.972 2.911 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.973 3.820 -12.634 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.360 2.325 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.668 1.955 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.186 2.593 -10.056 1.00 0.00 H new ATOM 381 N PHE A 25 -18.928 0.457 -10.893 1.00 6.72 N ATOM 382 CA PHE A 25 -18.851 -0.990 -10.568 1.00 6.82 C ATOM 383 C PHE A 25 -18.941 -1.215 -9.070 1.00 7.56 C ATOM 384 O PHE A 25 -18.409 -0.464 -8.275 1.00 6.07 O ATOM 385 CB PHE A 25 -17.545 -1.580 -11.125 1.00 9.59 C ATOM 386 CG PHE A 25 -16.304 -0.843 -10.614 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.107 0.531 -10.860 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.314 -1.558 -9.926 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.943 1.165 -10.412 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.150 -0.920 -9.487 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.965 0.441 -9.728 1.00 12.44 C ATOM 0 H PHE A 25 -18.603 1.096 -10.167 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.697 -1.497 -11.033 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.478 -2.632 -10.848 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.566 -1.537 -12.214 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.856 1.095 -11.395 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.452 -2.612 -9.733 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.800 2.220 -10.596 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.393 -1.482 -8.960 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.067 0.934 -9.386 1.00 12.44 H new ATOM 401 N GLU A 26 -19.615 -2.262 -8.684 1.00 0.00 N ATOM 402 CA GLU A 26 -19.759 -2.572 -7.242 1.00 0.00 C ATOM 403 C GLU A 26 -18.526 -3.345 -6.795 1.00 0.00 C ATOM 404 O GLU A 26 -17.856 -3.973 -7.592 1.00 0.00 O ATOM 405 CB GLU A 26 -21.032 -3.405 -7.009 1.00 0.00 C ATOM 406 CG GLU A 26 -20.837 -4.850 -7.494 1.00 0.00 C ATOM 407 CD GLU A 26 -20.267 -4.848 -8.913 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.786 -4.112 -9.737 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.322 -5.580 -9.153 1.00 0.00 O ATOM 0 H GLU A 26 -20.075 -2.919 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.847 -1.652 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.283 -3.404 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.871 -2.950 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.163 -5.381 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.789 -5.381 -7.475 1.00 0.00 H new ATOM 416 N LYS A 27 -18.212 -3.302 -5.543 1.00 8.66 N ATOM 417 CA LYS A 27 -17.020 -4.026 -5.068 1.00 8.68 C ATOM 418 C LYS A 27 -17.122 -5.499 -5.465 1.00 6.65 C ATOM 419 O LYS A 27 -18.198 -6.058 -5.536 1.00 10.38 O ATOM 420 CB LYS A 27 -16.930 -3.860 -3.553 1.00 12.96 C ATOM 421 CG LYS A 27 -18.001 -4.719 -2.840 1.00 12.48 C ATOM 422 CD LYS A 27 -17.390 -6.046 -2.350 1.00 20.52 C ATOM 423 CE LYS A 27 -16.701 -5.837 -0.998 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.732 -5.744 0.073 1.00 29.03 N ATOM 0 H LYS A 27 -18.731 -2.795 -4.826 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.115 -3.623 -5.523 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -15.937 -4.150 -3.209 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.064 -2.811 -3.289 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.414 -4.168 -1.995 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.826 -4.922 -3.522 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.169 -6.803 -2.257 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.671 -6.417 -3.081 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.021 -6.663 -0.792 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.100 -4.928 -1.020 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.290 -5.925 0.997 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.151 -4.792 0.070 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.476 -6.450 -0.099 1.00 29.03 H new ATOM 438 N GLY A 28 -16.009 -6.123 -5.745 1.00 5.06 N ATOM 439 CA GLY A 28 -16.041 -7.554 -6.161 1.00 4.39 C ATOM 440 C GLY A 28 -16.307 -7.638 -7.667 1.00 6.18 C ATOM 441 O GLY A 28 -17.103 -8.436 -8.116 1.00 5.61 O ATOM 0 H GLY A 28 -15.080 -5.704 -5.704 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.093 -8.036 -5.920 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.818 -8.087 -5.613 1.00 4.39 H new ATOM 445 N GLU A 29 -15.647 -6.813 -8.447 1.00 7.06 N ATOM 446 CA GLU A 29 -15.854 -6.825 -9.933 1.00 6.19 C ATOM 447 C GLU A 29 -14.531 -7.158 -10.628 1.00 6.67 C ATOM 448 O GLU A 29 -13.590 -6.393 -10.588 1.00 8.12 O ATOM 449 CB GLU A 29 -16.310 -5.424 -10.386 1.00 6.64 C ATOM 450 CG GLU A 29 -16.942 -5.415 -11.814 1.00 9.52 C ATOM 451 CD GLU A 29 -16.651 -6.707 -12.588 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.383 -7.666 -12.404 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.708 -6.712 -13.357 1.00 8.99 O ATOM 0 H GLU A 29 -14.969 -6.127 -8.116 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.606 -7.570 -10.191 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.037 -5.037 -9.672 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.455 -4.748 -10.370 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.020 -5.279 -11.731 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.556 -4.564 -12.374 1.00 9.52 H new ATOM 460 N THR A 30 -14.463 -8.274 -11.291 1.00 0.00 N ATOM 461 CA THR A 30 -13.212 -8.631 -12.017 1.00 0.00 C ATOM 462 C THR A 30 -13.126 -7.738 -13.238 1.00 0.00 C ATOM 463 O THR A 30 -13.881 -7.914 -14.171 1.00 0.00 O ATOM 464 CB THR A 30 -13.320 -10.076 -12.504 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.865 -10.886 -11.473 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.938 -10.593 -12.890 1.00 0.00 C ATOM 0 H THR A 30 -15.218 -8.956 -11.363 1.00 0.00 H new ATOM 0 HA THR A 30 -12.344 -8.513 -11.369 1.00 0.00 H new ATOM 0 HB THR A 30 -13.973 -10.115 -13.376 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.935 -11.812 -11.787 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.019 -11.623 -13.237 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.527 -9.973 -13.687 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.279 -10.553 -12.023 1.00 0.00 H new ATOM 474 N MET A 31 -12.230 -6.787 -13.266 1.00 0.00 N ATOM 475 CA MET A 31 -12.150 -5.912 -14.470 1.00 0.00 C ATOM 476 C MET A 31 -10.940 -6.269 -15.306 1.00 0.00 C ATOM 477 O MET A 31 -9.841 -6.471 -14.832 1.00 0.00 O ATOM 478 CB MET A 31 -12.155 -4.434 -14.055 1.00 0.00 C ATOM 479 CG MET A 31 -13.581 -4.042 -13.569 1.00 0.00 C ATOM 480 SD MET A 31 -13.499 -3.365 -11.890 1.00 0.00 S ATOM 481 CE MET A 31 -12.919 -1.715 -12.353 1.00 0.00 C ATOM 0 H MET A 31 -11.563 -6.581 -12.523 1.00 0.00 H new ATOM 0 HA MET A 31 -13.029 -6.078 -15.093 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.428 -4.265 -13.261 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.860 -3.807 -14.896 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.015 -3.306 -14.246 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.233 -4.915 -13.586 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.384 -1.269 -11.515 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.251 -1.792 -13.211 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.773 -1.089 -12.613 1.00 0.00 H new ATOM 491 N GLU A 32 -11.191 -6.368 -16.568 1.00 0.00 N ATOM 492 CA GLU A 32 -10.164 -6.734 -17.559 1.00 0.00 C ATOM 493 C GLU A 32 -9.526 -5.438 -18.059 1.00 0.00 C ATOM 494 O GLU A 32 -10.108 -4.695 -18.823 1.00 0.00 O ATOM 495 CB GLU A 32 -10.872 -7.510 -18.702 1.00 0.00 C ATOM 496 CG GLU A 32 -12.414 -7.399 -18.546 1.00 0.00 C ATOM 497 CD GLU A 32 -13.085 -7.932 -19.811 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.402 -8.056 -20.815 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.273 -8.210 -19.756 1.00 0.00 O ATOM 0 H GLU A 32 -12.113 -6.201 -16.971 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.381 -7.368 -17.143 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.566 -7.109 -19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.571 -8.557 -18.682 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.746 -7.967 -17.677 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.701 -6.361 -18.377 1.00 0.00 H new ATOM 506 N VAL A 33 -8.349 -5.140 -17.585 1.00 0.00 N ATOM 507 CA VAL A 33 -7.690 -3.868 -17.978 1.00 0.00 C ATOM 508 C VAL A 33 -7.402 -3.825 -19.485 1.00 0.00 C ATOM 509 O VAL A 33 -6.359 -4.260 -19.934 1.00 0.00 O ATOM 510 CB VAL A 33 -6.376 -3.718 -17.204 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.951 -2.245 -17.189 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.575 -4.199 -15.764 1.00 0.00 C ATOM 0 H VAL A 33 -7.816 -5.725 -16.941 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.366 -3.047 -17.739 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.603 -4.315 -17.688 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.016 -2.142 -16.638 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.809 -1.897 -18.212 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.725 -1.648 -16.706 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.641 -4.093 -15.213 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.350 -3.601 -15.284 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.876 -5.246 -15.769 1.00 0.00 H new ATOM 522 N ILE A 34 -8.303 -3.285 -20.272 1.00 0.00 N ATOM 523 CA ILE A 34 -8.037 -3.208 -21.747 1.00 0.00 C ATOM 524 C ILE A 34 -6.764 -2.386 -22.017 1.00 0.00 C ATOM 525 O ILE A 34 -5.901 -2.797 -22.767 1.00 0.00 O ATOM 526 CB ILE A 34 -9.204 -2.523 -22.484 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.455 -3.414 -22.440 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.797 -2.278 -23.954 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.661 -2.677 -23.055 1.00 0.00 C ATOM 0 H ILE A 34 -9.196 -2.900 -19.965 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.919 -4.229 -22.109 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.430 -1.575 -21.997 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.270 -4.339 -22.985 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.677 -3.690 -21.409 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.618 -1.793 -24.483 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.916 -1.637 -23.986 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.570 -3.231 -24.432 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.539 -3.321 -23.016 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.855 -1.764 -22.492 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.442 -2.424 -24.092 1.00 0.00 H new ATOM 541 N GLU A 35 -6.659 -1.207 -21.449 1.00 0.00 N ATOM 542 CA GLU A 35 -5.465 -0.347 -21.718 1.00 0.00 C ATOM 543 C GLU A 35 -5.113 0.482 -20.501 1.00 0.00 C ATOM 544 O GLU A 35 -5.922 0.705 -19.622 1.00 0.00 O ATOM 545 CB GLU A 35 -5.773 0.590 -22.900 1.00 0.00 C ATOM 546 CG GLU A 35 -4.468 1.053 -23.558 1.00 0.00 C ATOM 547 CD GLU A 35 -3.895 -0.079 -24.417 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.637 -0.620 -25.218 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.726 -0.385 -24.255 1.00 0.00 O ATOM 0 H GLU A 35 -7.347 -0.805 -20.813 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.618 -0.990 -21.957 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.395 0.074 -23.631 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.340 1.453 -22.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.652 1.933 -24.174 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.747 1.344 -22.794 1.00 0.00 H new ATOM 556 N LYS A 36 -3.877 0.912 -20.436 1.00 0.00 N ATOM 557 CA LYS A 36 -3.407 1.703 -19.269 1.00 0.00 C ATOM 558 C LYS A 36 -2.580 2.921 -19.729 1.00 0.00 C ATOM 559 O LYS A 36 -1.408 3.006 -19.426 1.00 0.00 O ATOM 560 CB LYS A 36 -2.520 0.778 -18.408 1.00 0.00 C ATOM 561 CG LYS A 36 -3.097 -0.660 -18.382 1.00 0.00 C ATOM 562 CD LYS A 36 -2.486 -1.522 -19.500 1.00 0.00 C ATOM 563 CE LYS A 36 -3.338 -2.784 -19.716 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.747 -2.416 -20.023 1.00 0.00 N ATOM 0 H LYS A 36 -3.170 0.744 -21.152 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.263 2.071 -18.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.506 0.762 -18.808 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.456 1.169 -17.392 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.896 -1.119 -17.414 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.180 -0.623 -18.498 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.431 -0.948 -20.425 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.466 -1.802 -19.238 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.924 -3.374 -20.534 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.305 -3.409 -18.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.390 -3.100 -19.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.945 -1.464 -19.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.892 -2.427 -21.053 1.00 0.00 H new ATOM 578 N PRO A 37 -3.214 3.851 -20.412 1.00 0.00 N ATOM 579 CA PRO A 37 -2.535 5.072 -20.861 1.00 0.00 C ATOM 580 C PRO A 37 -2.338 5.997 -19.666 1.00 0.00 C ATOM 581 O PRO A 37 -2.943 5.833 -18.626 1.00 0.00 O ATOM 582 CB PRO A 37 -3.489 5.719 -21.875 1.00 0.00 C ATOM 583 CG PRO A 37 -4.856 5.018 -21.705 1.00 0.00 C ATOM 584 CD PRO A 37 -4.632 3.767 -20.816 1.00 0.00 C ATOM 0 HA PRO A 37 -1.558 4.871 -21.301 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.578 6.790 -21.694 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.115 5.597 -22.891 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.578 5.692 -21.243 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.263 4.731 -22.675 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.293 3.772 -19.949 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.835 2.848 -21.366 1.00 0.00 H new ATOM 592 N GLU A 38 -1.509 6.973 -19.822 1.00 0.00 N ATOM 593 CA GLU A 38 -1.272 7.939 -18.707 1.00 0.00 C ATOM 594 C GLU A 38 -2.241 9.110 -18.876 1.00 0.00 C ATOM 595 O GLU A 38 -2.895 9.515 -17.941 1.00 0.00 O ATOM 596 CB GLU A 38 0.174 8.447 -18.771 1.00 0.00 C ATOM 597 CG GLU A 38 0.519 9.231 -17.496 1.00 0.00 C ATOM 598 CD GLU A 38 -0.057 10.650 -17.569 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.491 11.043 -18.640 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.052 11.318 -16.550 1.00 0.00 O ATOM 0 H GLU A 38 -0.977 7.154 -20.673 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.433 7.456 -17.743 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.858 7.606 -18.885 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.304 9.085 -19.645 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.119 8.714 -16.624 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.601 9.277 -17.371 1.00 0.00 H new ATOM 607 N ASN A 39 -2.339 9.621 -20.082 1.00 0.00 N ATOM 608 CA ASN A 39 -3.259 10.757 -20.395 1.00 0.00 C ATOM 609 C ASN A 39 -2.931 11.959 -19.510 1.00 0.00 C ATOM 610 O ASN A 39 -2.575 13.017 -19.987 1.00 0.00 O ATOM 611 CB ASN A 39 -4.718 10.320 -20.171 1.00 0.00 C ATOM 612 CG ASN A 39 -5.202 9.500 -21.369 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.472 9.296 -22.318 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.415 9.017 -21.364 1.00 0.00 N ATOM 0 H ASN A 39 -1.803 9.286 -20.883 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.128 11.044 -21.438 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.794 9.728 -19.259 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.353 11.196 -20.037 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.749 8.469 -22.157 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.029 9.188 -20.567 1.00 0.00 H new ATOM 621 N ASP A 40 -3.014 11.773 -18.228 1.00 0.00 N ATOM 622 CA ASP A 40 -2.691 12.862 -17.258 1.00 0.00 C ATOM 623 C ASP A 40 -3.189 12.549 -15.821 1.00 0.00 C ATOM 624 O ASP A 40 -2.447 12.717 -14.875 1.00 0.00 O ATOM 625 CB ASP A 40 -3.205 14.259 -17.742 1.00 0.00 C ATOM 626 CG ASP A 40 -2.034 15.113 -18.248 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.114 14.547 -18.815 1.00 0.00 O ATOM 628 OD2 ASP A 40 -2.081 16.318 -18.061 1.00 0.00 O ATOM 0 H ASP A 40 -3.298 10.894 -17.796 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.603 12.910 -17.216 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.939 14.128 -18.537 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.710 14.771 -16.923 1.00 0.00 H new ATOM 633 N PRO A 41 -4.410 12.124 -15.699 1.00 0.00 N ATOM 634 CA PRO A 41 -5.011 11.801 -14.393 1.00 0.00 C ATOM 635 C PRO A 41 -4.344 10.551 -13.806 1.00 0.00 C ATOM 636 O PRO A 41 -3.779 10.610 -12.736 1.00 0.00 O ATOM 637 CB PRO A 41 -6.503 11.542 -14.709 1.00 0.00 C ATOM 638 CG PRO A 41 -6.668 11.626 -16.255 1.00 0.00 C ATOM 639 CD PRO A 41 -5.276 11.933 -16.843 1.00 0.00 C ATOM 0 HA PRO A 41 -4.884 12.595 -13.657 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.809 10.562 -14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.135 12.280 -14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.056 10.688 -16.653 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.381 12.405 -16.525 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.924 11.113 -17.469 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.302 12.825 -17.470 1.00 0.00 H new ATOM 647 N GLU A 42 -4.432 9.442 -14.526 1.00 0.00 N ATOM 648 CA GLU A 42 -3.839 8.111 -14.105 1.00 0.00 C ATOM 649 C GLU A 42 -4.908 7.013 -14.281 1.00 0.00 C ATOM 650 O GLU A 42 -4.735 5.887 -13.862 1.00 0.00 O ATOM 651 CB GLU A 42 -3.351 8.126 -12.637 1.00 0.00 C ATOM 652 CG GLU A 42 -4.546 8.222 -11.669 1.00 0.00 C ATOM 653 CD GLU A 42 -4.046 8.419 -10.233 1.00 0.00 C ATOM 654 OE1 GLU A 42 -3.087 9.156 -10.057 1.00 0.00 O ATOM 655 OE2 GLU A 42 -4.627 7.831 -9.336 1.00 0.00 O ATOM 0 H GLU A 42 -4.911 9.404 -15.426 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.971 7.913 -14.734 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.779 7.222 -12.429 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.680 8.970 -12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.190 9.053 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.148 7.316 -11.732 1.00 0.00 H new ATOM 662 N TRP A 43 -6.015 7.331 -14.905 1.00 14.29 N ATOM 663 CA TRP A 43 -7.089 6.311 -15.105 1.00 10.30 C ATOM 664 C TRP A 43 -6.658 5.276 -16.152 1.00 6.82 C ATOM 665 O TRP A 43 -5.702 5.469 -16.872 1.00 6.91 O ATOM 666 CB TRP A 43 -8.368 7.003 -15.566 1.00 13.39 C ATOM 667 CG TRP A 43 -8.633 8.215 -14.730 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.070 8.477 -13.529 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.530 9.327 -15.010 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.562 9.673 -13.058 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.461 10.237 -13.933 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.386 9.633 -16.083 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.213 11.406 -13.914 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.148 10.815 -16.069 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.060 11.700 -14.986 1.00 8.17 C ATOM 0 H TRP A 43 -6.221 8.255 -15.285 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.268 5.799 -14.160 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.278 7.288 -16.614 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.209 6.313 -15.495 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.351 7.850 -13.022 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.292 10.091 -12.167 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.459 8.957 -16.922 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.143 12.083 -13.076 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.804 11.042 -16.897 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.646 12.607 -14.980 1.00 8.17 H new ATOM 686 N TRP A 44 -7.368 4.170 -16.226 1.00 6.17 N ATOM 687 CA TRP A 44 -7.024 3.080 -17.200 1.00 5.58 C ATOM 688 C TRP A 44 -8.283 2.688 -17.986 1.00 6.91 C ATOM 689 O TRP A 44 -9.365 2.628 -17.434 1.00 8.86 O ATOM 690 CB TRP A 44 -6.590 1.818 -16.415 1.00 2.99 C ATOM 691 CG TRP A 44 -5.152 1.835 -15.955 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.204 2.771 -16.231 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.490 0.829 -15.130 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.020 2.394 -15.620 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.147 1.210 -14.935 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.931 -0.368 -14.534 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.265 0.434 -14.180 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.049 -1.152 -13.773 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.719 -0.752 -13.598 1.00 11.72 C ATOM 0 H TRP A 44 -8.183 3.975 -15.644 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.234 3.434 -17.862 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.236 1.706 -15.544 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.748 0.942 -17.044 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.350 3.660 -16.827 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.155 2.932 -15.672 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.955 -0.685 -14.663 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.240 0.748 -14.047 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.398 -2.068 -13.320 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.044 -1.360 -13.013 1.00 11.72 H new ATOM 710 N LYS A 45 -8.152 2.342 -19.242 1.00 0.00 N ATOM 711 CA LYS A 45 -9.352 1.871 -19.977 1.00 0.00 C ATOM 712 C LYS A 45 -9.552 0.435 -19.548 1.00 0.00 C ATOM 713 O LYS A 45 -8.902 -0.455 -20.057 1.00 0.00 O ATOM 714 CB LYS A 45 -9.147 1.892 -21.498 1.00 0.00 C ATOM 715 CG LYS A 45 -8.968 3.365 -21.971 1.00 0.00 C ATOM 716 CD LYS A 45 -8.786 3.414 -23.507 1.00 0.00 C ATOM 717 CE LYS A 45 -8.710 4.868 -23.985 1.00 0.00 C ATOM 718 NZ LYS A 45 -7.500 5.517 -23.409 1.00 0.00 N ATOM 0 H LYS A 45 -7.283 2.366 -19.776 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.200 2.519 -19.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.271 1.302 -21.767 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.002 1.438 -21.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.837 3.956 -21.681 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.102 3.810 -21.480 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.877 2.883 -23.790 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.618 2.906 -23.995 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.671 4.903 -25.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.606 5.409 -23.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.543 6.543 -23.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.462 5.334 -22.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.649 5.128 -23.862 1.00 0.00 H new ATOM 732 N CYS A 46 -10.401 0.195 -18.594 1.00 0.00 N ATOM 733 CA CYS A 46 -10.597 -1.200 -18.112 1.00 0.00 C ATOM 734 C CYS A 46 -12.006 -1.661 -18.396 1.00 0.00 C ATOM 735 O CYS A 46 -12.976 -1.019 -18.042 1.00 0.00 O ATOM 736 CB CYS A 46 -10.336 -1.257 -16.605 1.00 0.00 C ATOM 737 SG CYS A 46 -11.716 -0.490 -15.717 1.00 0.00 S ATOM 0 H CYS A 46 -10.968 0.902 -18.126 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.900 -1.856 -18.634 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.216 -2.292 -16.286 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.406 -0.740 -16.367 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.728 -0.354 -16.522 1.00 0.00 H new ATOM 743 N LYS A 47 -12.127 -2.797 -19.006 1.00 0.00 N ATOM 744 CA LYS A 47 -13.466 -3.336 -19.284 1.00 0.00 C ATOM 745 C LYS A 47 -13.923 -4.029 -18.017 1.00 0.00 C ATOM 746 O LYS A 47 -13.098 -4.529 -17.283 1.00 0.00 O ATOM 747 CB LYS A 47 -13.382 -4.358 -20.420 1.00 0.00 C ATOM 748 CG LYS A 47 -14.675 -5.179 -20.497 1.00 0.00 C ATOM 749 CD LYS A 47 -14.737 -5.917 -21.837 1.00 0.00 C ATOM 750 CE LYS A 47 -16.065 -6.667 -21.944 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.251 -7.162 -23.336 1.00 0.00 N ATOM 0 H LYS A 47 -11.349 -3.375 -19.324 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.157 -2.546 -19.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.212 -3.846 -21.367 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.532 -5.021 -20.259 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.713 -5.894 -19.675 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.540 -4.524 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.640 -5.208 -22.660 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.905 -6.616 -21.918 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.079 -7.504 -21.245 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.889 -6.008 -21.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.155 -7.672 -23.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.257 -6.356 -23.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.472 -7.805 -23.583 1.00 0.00 H new ATOM 765 N ASN A 48 -15.204 -4.095 -17.725 1.00 0.00 N ATOM 766 CA ASN A 48 -15.589 -4.837 -16.470 1.00 0.00 C ATOM 767 C ASN A 48 -15.971 -6.257 -16.885 1.00 0.00 C ATOM 768 O ASN A 48 -16.730 -6.432 -17.809 1.00 0.00 O ATOM 769 CB ASN A 48 -16.700 -4.109 -15.666 1.00 0.00 C ATOM 770 CG ASN A 48 -18.117 -4.214 -16.257 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.923 -3.340 -16.022 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.492 -5.246 -16.948 1.00 0.00 N ATOM 0 H ASN A 48 -15.968 -3.691 -18.267 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.749 -4.874 -15.777 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.716 -4.512 -14.653 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.435 -3.055 -15.585 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.453 -5.313 -17.285 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.826 -5.991 -17.155 1.00 0.00 H new ATOM 779 N ALA A 49 -15.423 -7.302 -16.278 1.00 0.00 N ATOM 780 CA ALA A 49 -15.808 -8.660 -16.751 1.00 0.00 C ATOM 781 C ALA A 49 -17.329 -8.736 -16.777 1.00 0.00 C ATOM 782 O ALA A 49 -17.913 -9.561 -17.452 1.00 0.00 O ATOM 783 CB ALA A 49 -15.251 -9.733 -15.816 1.00 0.00 C ATOM 0 H ALA A 49 -14.755 -7.265 -15.508 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.399 -8.835 -17.746 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.543 -10.719 -16.178 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.164 -9.664 -15.790 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.649 -9.583 -14.812 1.00 0.00 H new ATOM 789 N ARG A 50 -17.980 -7.841 -16.075 1.00 0.00 N ATOM 790 CA ARG A 50 -19.462 -7.831 -16.097 1.00 0.00 C ATOM 791 C ARG A 50 -19.866 -7.491 -17.529 1.00 0.00 C ATOM 792 O ARG A 50 -21.020 -7.530 -17.905 1.00 0.00 O ATOM 793 CB ARG A 50 -20.003 -6.800 -15.077 1.00 0.00 C ATOM 794 CG ARG A 50 -20.426 -7.516 -13.771 1.00 0.00 C ATOM 795 CD ARG A 50 -20.516 -6.524 -12.576 1.00 0.00 C ATOM 796 NE ARG A 50 -21.862 -6.608 -11.908 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.978 -6.496 -12.583 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.957 -6.220 -13.855 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.123 -6.631 -11.970 1.00 0.00 N ATOM 0 H ARG A 50 -17.546 -7.124 -15.493 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.883 -8.794 -15.808 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.238 -6.055 -14.861 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.855 -6.269 -15.502 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.392 -7.999 -13.917 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.708 -8.303 -13.538 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.732 -6.748 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.343 -5.507 -12.929 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.906 -6.757 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.066 -6.089 -14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.832 -6.135 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.146 -6.823 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.995 -6.544 -12.493 1.00 0.00 H new ATOM 813 N GLY A 51 -18.879 -7.206 -18.337 1.00 8.07 N ATOM 814 CA GLY A 51 -19.101 -6.908 -19.770 1.00 7.79 C ATOM 815 C GLY A 51 -19.250 -5.402 -20.036 1.00 9.08 C ATOM 816 O GLY A 51 -19.986 -5.013 -20.922 1.00 14.41 O ATOM 0 H GLY A 51 -17.902 -7.168 -18.047 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.266 -7.297 -20.353 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.997 -7.426 -20.112 1.00 7.79 H new ATOM 820 N GLN A 52 -18.562 -4.536 -19.305 1.00 0.00 N ATOM 821 CA GLN A 52 -18.702 -3.054 -19.591 1.00 0.00 C ATOM 822 C GLN A 52 -17.357 -2.337 -19.542 1.00 0.00 C ATOM 823 O GLN A 52 -16.393 -2.864 -19.072 1.00 0.00 O ATOM 824 CB GLN A 52 -19.763 -2.424 -18.640 1.00 0.00 C ATOM 825 CG GLN A 52 -19.188 -1.257 -17.817 1.00 0.00 C ATOM 826 CD GLN A 52 -20.216 -0.794 -16.802 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.643 -1.546 -15.950 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.634 0.435 -16.866 1.00 0.00 N ATOM 0 H GLN A 52 -17.928 -4.780 -18.545 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.062 -2.927 -20.612 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.610 -2.069 -19.228 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.143 -3.190 -17.964 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.277 -1.572 -17.309 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.917 -0.433 -18.477 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.270 1.061 -17.585 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.326 0.774 -16.197 1.00 0.00 H new ATOM 837 N VAL A 53 -17.285 -1.133 -20.077 1.00 0.00 N ATOM 838 CA VAL A 53 -15.974 -0.402 -20.102 1.00 0.00 C ATOM 839 C VAL A 53 -16.105 1.047 -19.633 1.00 0.00 C ATOM 840 O VAL A 53 -17.146 1.667 -19.720 1.00 0.00 O ATOM 841 CB VAL A 53 -15.420 -0.407 -21.537 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.923 -0.086 -21.516 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.645 -1.777 -22.187 1.00 0.00 C ATOM 0 H VAL A 53 -18.070 -0.632 -20.493 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.301 -0.917 -19.417 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.944 0.351 -22.119 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.536 -0.091 -22.535 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.768 0.898 -21.073 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.398 -0.836 -20.925 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.249 -1.768 -23.202 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.134 -2.544 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.713 -1.995 -22.216 1.00 0.00 H new ATOM 853 N GLY A 54 -15.015 1.574 -19.139 1.00 3.62 N ATOM 854 CA GLY A 54 -14.983 2.982 -18.647 1.00 3.70 C ATOM 855 C GLY A 54 -13.639 3.248 -17.954 1.00 4.69 C ATOM 856 O GLY A 54 -12.984 2.337 -17.482 1.00 7.25 O ATOM 0 H GLY A 54 -14.128 1.077 -19.055 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.119 3.673 -19.479 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.804 3.155 -17.951 1.00 3.70 H new ATOM 860 N LEU A 55 -13.234 4.484 -17.876 1.00 0.00 N ATOM 861 CA LEU A 55 -11.944 4.818 -17.199 1.00 0.00 C ATOM 862 C LEU A 55 -12.123 4.641 -15.686 1.00 0.00 C ATOM 863 O LEU A 55 -13.210 4.795 -15.163 1.00 0.00 O ATOM 864 CB LEU A 55 -11.581 6.278 -17.531 1.00 0.00 C ATOM 865 CG LEU A 55 -10.751 6.346 -18.826 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.374 5.656 -18.644 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.538 5.674 -19.958 1.00 0.00 C ATOM 0 H LEU A 55 -13.742 5.284 -18.253 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.143 4.163 -17.541 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.490 6.868 -17.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.017 6.715 -16.707 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.566 7.391 -19.074 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.810 5.719 -19.574 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.820 6.154 -17.849 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.524 4.609 -18.381 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.958 5.717 -20.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.731 4.633 -19.699 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.485 6.194 -20.101 1.00 0.00 H new ATOM 879 N VAL A 56 -11.073 4.310 -14.971 1.00 0.00 N ATOM 880 CA VAL A 56 -11.209 4.114 -13.494 1.00 0.00 C ATOM 881 C VAL A 56 -9.833 4.332 -12.819 1.00 0.00 C ATOM 882 O VAL A 56 -8.846 3.835 -13.324 1.00 0.00 O ATOM 883 CB VAL A 56 -11.695 2.669 -13.246 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.537 1.672 -13.404 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.271 2.539 -11.836 1.00 0.00 C ATOM 0 H VAL A 56 -10.134 4.168 -15.344 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.921 4.825 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.467 2.444 -13.982 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.901 0.660 -13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.134 1.739 -14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.753 1.908 -12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.610 1.516 -11.674 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.502 2.786 -11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.113 3.222 -11.722 1.00 0.00 H new ATOM 895 N PRO A 57 -9.772 5.038 -11.695 1.00 3.33 N ATOM 896 CA PRO A 57 -8.481 5.240 -11.016 1.00 2.75 C ATOM 897 C PRO A 57 -7.795 3.881 -10.829 1.00 4.32 C ATOM 898 O PRO A 57 -8.271 3.022 -10.112 1.00 4.76 O ATOM 899 CB PRO A 57 -8.836 5.906 -9.665 1.00 2.92 C ATOM 900 CG PRO A 57 -10.356 6.245 -9.703 1.00 3.30 C ATOM 901 CD PRO A 57 -10.928 5.673 -11.021 1.00 2.53 C ATOM 0 HA PRO A 57 -7.787 5.865 -11.578 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.612 5.236 -8.835 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.244 6.809 -9.514 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.867 5.811 -8.843 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.510 7.323 -9.655 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.719 4.948 -10.827 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.361 6.460 -11.638 1.00 2.53 H new ATOM 909 N LYS A 58 -6.693 3.679 -11.493 1.00 0.00 N ATOM 910 CA LYS A 58 -5.975 2.376 -11.394 1.00 0.00 C ATOM 911 C LYS A 58 -5.550 2.103 -9.947 1.00 0.00 C ATOM 912 O LYS A 58 -4.905 1.112 -9.662 1.00 0.00 O ATOM 913 CB LYS A 58 -4.745 2.428 -12.309 1.00 0.00 C ATOM 914 CG LYS A 58 -3.654 3.368 -11.718 1.00 0.00 C ATOM 915 CD LYS A 58 -2.414 3.402 -12.632 1.00 0.00 C ATOM 916 CE LYS A 58 -1.343 4.322 -12.031 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.153 4.349 -12.925 1.00 0.00 N ATOM 0 H LYS A 58 -6.254 4.366 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.637 1.568 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.337 1.425 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.037 2.780 -13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.056 4.375 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.370 3.024 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.014 2.395 -12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.693 3.756 -13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.741 5.329 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.059 3.968 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.573 4.972 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.231 3.387 -13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.430 4.706 -13.862 1.00 0.00 H new ATOM 931 N ASN A 59 -5.908 2.965 -9.029 1.00 10.56 N ATOM 932 CA ASN A 59 -5.530 2.757 -7.594 1.00 9.74 C ATOM 933 C ASN A 59 -6.743 2.220 -6.822 1.00 9.95 C ATOM 934 O ASN A 59 -6.644 1.849 -5.670 1.00 8.95 O ATOM 935 CB ASN A 59 -5.077 4.098 -6.990 1.00 10.40 C ATOM 936 CG ASN A 59 -3.728 4.501 -7.589 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.017 3.674 -8.125 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.342 5.746 -7.522 1.00 14.09 N ATOM 0 H ASN A 59 -6.449 3.810 -9.211 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.714 2.037 -7.526 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.821 4.869 -7.192 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.994 4.011 -5.907 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.445 6.024 -7.919 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.938 6.441 -7.072 1.00 14.09 H new ATOM 945 N TYR A 60 -7.888 2.182 -7.450 1.00 10.23 N ATOM 946 CA TYR A 60 -9.115 1.678 -6.759 1.00 5.50 C ATOM 947 C TYR A 60 -9.228 0.159 -6.958 1.00 5.21 C ATOM 948 O TYR A 60 -10.227 -0.444 -6.621 1.00 7.16 O ATOM 949 CB TYR A 60 -10.350 2.363 -7.374 1.00 3.37 C ATOM 950 CG TYR A 60 -10.599 3.707 -6.718 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.538 4.590 -6.482 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.902 4.070 -6.356 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.781 5.831 -5.883 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.146 5.311 -5.758 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.084 6.193 -5.522 1.00 4.45 C ATOM 956 OH TYR A 60 -11.325 7.418 -4.933 1.00 9.52 O ATOM 0 H TYR A 60 -8.029 2.479 -8.416 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.056 1.901 -5.694 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.202 2.498 -8.445 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.225 1.725 -7.251 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.532 4.313 -6.762 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.721 3.390 -6.539 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.962 6.511 -5.699 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.152 5.588 -5.479 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.283 7.509 -4.748 1.00 9.52 H new ATOM 966 N VAL A 61 -8.220 -0.460 -7.512 1.00 5.00 N ATOM 967 CA VAL A 61 -8.276 -1.935 -7.744 1.00 4.84 C ATOM 968 C VAL A 61 -6.871 -2.530 -7.608 1.00 5.03 C ATOM 969 O VAL A 61 -5.882 -1.846 -7.785 1.00 5.61 O ATOM 970 CB VAL A 61 -8.808 -2.207 -9.161 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.210 -1.616 -9.311 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.882 -1.561 -10.199 1.00 2.97 C ATOM 0 H VAL A 61 -7.357 -0.008 -7.815 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.937 -2.393 -7.008 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.844 -3.285 -9.321 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.582 -1.812 -10.317 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.878 -2.074 -8.582 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.171 -0.540 -9.142 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.265 -1.758 -11.200 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.842 -0.485 -10.031 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.881 -1.981 -10.104 1.00 2.97 H new ATOM 982 N VAL A 62 -6.776 -3.804 -7.311 1.00 0.00 N ATOM 983 CA VAL A 62 -5.429 -4.458 -7.182 1.00 0.00 C ATOM 984 C VAL A 62 -5.209 -5.347 -8.402 1.00 0.00 C ATOM 985 O VAL A 62 -6.141 -5.705 -9.076 1.00 0.00 O ATOM 986 CB VAL A 62 -5.382 -5.322 -5.921 1.00 0.00 C ATOM 987 CG1 VAL A 62 -5.553 -4.434 -4.683 1.00 0.00 C ATOM 988 CG2 VAL A 62 -6.513 -6.352 -5.961 1.00 0.00 C ATOM 0 H VAL A 62 -7.572 -4.422 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.655 -3.693 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.422 -5.835 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.519 -5.051 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.749 -3.699 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.513 -3.920 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.477 -6.967 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.472 -5.837 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.396 -6.987 -6.839 1.00 0.00 H new ATOM 998 N VAL A 63 -3.986 -5.700 -8.690 1.00 0.00 N ATOM 999 CA VAL A 63 -3.696 -6.572 -9.879 1.00 0.00 C ATOM 1000 C VAL A 63 -3.309 -7.975 -9.408 1.00 0.00 C ATOM 1001 O VAL A 63 -2.521 -8.144 -8.500 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.544 -5.968 -10.681 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.057 -6.973 -11.727 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.027 -4.696 -11.384 1.00 0.00 C ATOM 0 H VAL A 63 -3.165 -5.423 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.585 -6.636 -10.506 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.723 -5.726 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.236 -6.537 -12.296 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.712 -7.879 -11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.876 -7.220 -12.403 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.207 -4.263 -11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.849 -4.942 -12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.369 -3.977 -10.640 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.868 -8.985 -10.029 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.555 -10.397 -9.636 1.00 0.00 C ATOM 1016 C LEU A 64 -2.629 -11.019 -10.691 1.00 0.00 C ATOM 1017 O LEU A 64 -1.506 -11.383 -10.403 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.867 -11.197 -9.554 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.512 -11.040 -8.161 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -5.884 -9.568 -7.890 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.768 -11.916 -8.073 1.00 0.00 C ATOM 0 H LEU A 64 -4.533 -8.892 -10.797 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.059 -10.416 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.559 -10.851 -10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.670 -12.250 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.790 -11.357 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.337 -9.483 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.986 -8.952 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.593 -9.227 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.222 -11.804 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.481 -11.608 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.495 -12.960 -8.230 1.00 0.00 H new ATOM 1033 N SER A 65 -3.089 -11.152 -11.910 1.00 0.00 N ATOM 1034 CA SER A 65 -2.223 -11.754 -12.967 1.00 0.00 C ATOM 1035 C SER A 65 -1.090 -10.785 -13.309 1.00 0.00 C ATOM 1036 O SER A 65 -1.224 -9.587 -13.181 1.00 0.00 O ATOM 1037 CB SER A 65 -3.056 -12.045 -14.219 1.00 0.00 C ATOM 1038 OG SER A 65 -3.824 -10.895 -14.545 1.00 0.00 O ATOM 0 H SER A 65 -4.021 -10.872 -12.217 1.00 0.00 H new ATOM 0 HA SER A 65 -1.800 -12.689 -12.599 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.404 -12.310 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.712 -12.898 -14.044 1.00 0.00 H new ATOM 0 HG SER A 65 -4.440 -11.109 -15.277 1.00 0.00 H new ATOM 1044 N ASP A 66 0.033 -11.300 -13.740 1.00 0.00 N ATOM 1045 CA ASP A 66 1.184 -10.413 -14.089 1.00 0.00 C ATOM 1046 C ASP A 66 1.967 -11.029 -15.251 1.00 0.00 C ATOM 1047 O ASP A 66 1.976 -12.230 -15.437 1.00 0.00 O ATOM 1048 CB ASP A 66 2.102 -10.273 -12.872 1.00 0.00 C ATOM 1049 CG ASP A 66 2.950 -9.007 -13.012 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.840 -8.355 -14.038 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.695 -8.711 -12.093 1.00 0.00 O ATOM 0 H ASP A 66 0.203 -12.298 -13.866 1.00 0.00 H new ATOM 0 HA ASP A 66 0.814 -9.431 -14.382 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.508 -10.226 -11.959 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.747 -11.148 -12.788 1.00 0.00 H new ATOM 1056 N GLY A 67 2.624 -10.216 -16.035 1.00 0.00 N ATOM 1057 CA GLY A 67 3.406 -10.758 -17.185 1.00 0.00 C ATOM 1058 C GLY A 67 4.786 -11.228 -16.697 1.00 0.00 C ATOM 1059 O GLY A 67 5.062 -12.411 -16.708 1.00 0.00 O ATOM 0 H GLY A 67 2.653 -9.202 -15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.869 -11.589 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.522 -9.992 -17.952 1.00 0.00 H new ATOM 1063 N PRO A 68 5.616 -10.294 -16.275 1.00 0.00 N ATOM 1064 CA PRO A 68 6.962 -10.634 -15.780 1.00 0.00 C ATOM 1065 C PRO A 68 6.848 -11.582 -14.578 1.00 0.00 C ATOM 1066 O PRO A 68 6.731 -11.151 -13.447 1.00 0.00 O ATOM 1067 CB PRO A 68 7.594 -9.278 -15.379 1.00 0.00 C ATOM 1068 CG PRO A 68 6.526 -8.173 -15.631 1.00 0.00 C ATOM 1069 CD PRO A 68 5.287 -8.853 -16.258 1.00 0.00 C ATOM 0 HA PRO A 68 7.572 -11.148 -16.523 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.894 -9.290 -14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.492 -9.085 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.259 -7.678 -14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.919 -7.405 -16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.390 -8.659 -15.671 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.097 -8.479 -17.264 1.00 0.00 H new ATOM 1077 N ALA A 69 6.900 -12.870 -14.818 1.00 0.00 N ATOM 1078 CA ALA A 69 6.817 -13.862 -13.712 1.00 0.00 C ATOM 1079 C ALA A 69 8.143 -14.604 -13.643 1.00 0.00 C ATOM 1080 O ALA A 69 8.300 -15.689 -14.166 1.00 0.00 O ATOM 1081 CB ALA A 69 5.692 -14.859 -14.005 1.00 0.00 C ATOM 0 H ALA A 69 6.998 -13.277 -15.748 1.00 0.00 H new ATOM 0 HA ALA A 69 6.612 -13.360 -12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.630 -15.586 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.745 -14.325 -14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.899 -15.376 -14.942 1.00 0.00 H new ATOM 1087 N LEU A 70 9.094 -14.016 -12.994 1.00 0.00 N ATOM 1088 CA LEU A 70 10.435 -14.655 -12.864 1.00 0.00 C ATOM 1089 C LEU A 70 10.420 -15.619 -11.677 1.00 0.00 C ATOM 1090 O LEU A 70 10.097 -15.246 -10.566 1.00 0.00 O ATOM 1091 CB LEU A 70 11.496 -13.572 -12.629 1.00 0.00 C ATOM 1092 CG LEU A 70 11.712 -12.750 -13.918 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.260 -11.364 -13.561 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.717 -13.457 -14.839 1.00 0.00 C ATOM 0 H LEU A 70 9.006 -13.107 -12.539 1.00 0.00 H new ATOM 0 HA LEU A 70 10.671 -15.201 -13.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.182 -12.915 -11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.435 -14.033 -12.321 1.00 0.00 H new ATOM 0 HG LEU A 70 10.755 -12.653 -14.431 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.411 -10.787 -14.473 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.549 -10.846 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.210 -11.472 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.859 -12.866 -15.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.671 -13.565 -14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.335 -14.443 -15.106 1.00 0.00 H new ATOM 1106 N HIS A 71 10.771 -16.856 -11.898 1.00 0.00 N ATOM 1107 CA HIS A 71 10.776 -17.841 -10.780 1.00 0.00 C ATOM 1108 C HIS A 71 9.438 -17.776 -10.037 1.00 0.00 C ATOM 1109 CB HIS A 71 11.912 -17.507 -9.812 1.00 0.00 C ATOM 1110 CG HIS A 71 12.101 -18.643 -8.845 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.187 -19.678 -8.733 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.094 -18.920 -7.937 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.643 -20.522 -7.789 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.801 -20.108 -7.273 1.00 0.00 N ATOM 0 H HIS A 71 11.055 -17.227 -12.805 1.00 0.00 H new ATOM 0 HA HIS A 71 10.922 -18.844 -11.180 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.834 -17.330 -10.365 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.684 -16.589 -9.270 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.968 -18.310 -7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.133 -21.425 -7.486 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.354 -20.564 -6.547 1.00 0.00 H new ATOM 1123 N GLY B 72 -14.096 -13.754 8.233 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.250 -13.864 7.011 1.00 0.00 C ATOM 1125 C GLY B 72 -12.801 -12.469 6.575 1.00 0.00 C ATOM 1126 O GLY B 72 -12.998 -12.067 5.446 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.381 -14.491 7.212 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.811 -14.344 6.209 1.00 0.00 H new ATOM 1131 N SER B 73 -12.197 -11.726 7.461 1.00 0.00 N ATOM 1132 CA SER B 73 -11.736 -10.358 7.094 1.00 0.00 C ATOM 1133 C SER B 73 -10.430 -10.454 6.304 1.00 0.00 C ATOM 1134 O SER B 73 -9.699 -11.418 6.410 1.00 0.00 O ATOM 1135 CB SER B 73 -11.499 -9.542 8.368 1.00 0.00 C ATOM 1136 OG SER B 73 -12.592 -9.733 9.256 1.00 0.00 O ATOM 0 H SER B 73 -12.003 -12.007 8.422 1.00 0.00 H new ATOM 0 HA SER B 73 -12.496 -9.871 6.483 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.569 -9.852 8.845 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.395 -8.485 8.123 1.00 0.00 H new ATOM 0 HG SER B 73 -12.444 -9.214 10.074 1.00 0.00 H new ATOM 1142 N MET B 74 -10.130 -9.461 5.511 1.00 0.00 N ATOM 1143 CA MET B 74 -8.872 -9.496 4.714 1.00 0.00 C ATOM 1144 C MET B 74 -7.697 -9.844 5.630 1.00 0.00 C ATOM 1145 O MET B 74 -7.817 -9.829 6.840 1.00 0.00 O ATOM 1146 CB MET B 74 -8.634 -8.129 4.074 1.00 0.00 C ATOM 1147 CG MET B 74 -9.935 -7.622 3.449 1.00 0.00 C ATOM 1148 SD MET B 74 -9.585 -6.183 2.410 1.00 0.00 S ATOM 1149 CE MET B 74 -11.179 -5.353 2.629 1.00 0.00 C ATOM 0 H MET B 74 -10.703 -8.627 5.381 1.00 0.00 H new ATOM 0 HA MET B 74 -8.959 -10.251 3.933 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.279 -7.422 4.824 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.857 -8.203 3.313 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.396 -8.410 2.854 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.646 -7.355 4.230 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.185 -4.422 2.063 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.979 -6.001 2.271 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.334 -5.136 3.686 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.563 -10.157 5.066 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.383 -10.504 5.906 1.00 0.00 C ATOM 1161 C GLY B 75 -4.136 -10.591 5.027 1.00 0.00 C ATOM 1162 O GLY B 75 -3.364 -11.524 5.118 1.00 0.00 O ATOM 0 H GLY B 75 -6.403 -10.187 4.059 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.242 -9.751 6.681 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.551 -11.455 6.412 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.930 -9.622 4.174 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.731 -9.652 3.288 1.00 0.00 C ATOM 1168 C VAL B 76 -2.375 -8.219 2.863 1.00 0.00 C ATOM 1169 O VAL B 76 -3.228 -7.491 2.398 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.039 -10.476 2.029 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.226 -9.945 0.849 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.673 -11.942 2.245 1.00 0.00 C ATOM 0 H VAL B 76 -4.539 -8.813 4.053 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.898 -10.101 3.829 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.106 -10.392 1.822 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.449 -10.534 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.486 -8.902 0.668 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.163 -10.020 1.077 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.898 -12.510 1.342 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.609 -12.022 2.468 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.250 -12.342 3.079 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.120 -7.868 3.007 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.639 -6.543 2.612 1.00 0.00 C ATOM 1184 C PRO B 77 -0.558 -6.483 1.103 1.00 0.00 C ATOM 1185 O PRO B 77 -0.576 -7.492 0.430 1.00 0.00 O ATOM 1186 CB PRO B 77 0.761 -6.429 3.224 1.00 0.00 C ATOM 1187 CG PRO B 77 1.120 -7.818 3.801 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.085 -8.740 3.584 1.00 0.00 C ATOM 0 HA PRO B 77 -1.291 -5.736 2.947 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.487 -6.126 2.470 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.779 -5.671 4.007 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.004 -8.221 3.306 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.356 -7.742 4.862 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.161 -9.562 2.912 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.418 -9.184 4.522 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.466 -5.312 0.571 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.383 -5.184 -0.897 1.00 0.00 C ATOM 1198 C ILE B 78 0.696 -4.180 -1.256 1.00 0.00 C ATOM 1199 O ILE B 78 0.664 -3.029 -0.863 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.741 -4.764 -1.442 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.766 -5.778 -0.939 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.699 -4.778 -2.964 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.190 -5.307 -1.215 1.00 0.00 C ATOM 0 H ILE B 78 -0.444 -4.434 1.089 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.117 -6.141 -1.347 1.00 0.00 H new ATOM 0 HB ILE B 78 -2.004 -3.759 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.598 -6.740 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.633 -5.933 0.132 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.670 -4.478 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.935 -4.083 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.462 -5.783 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.897 -6.050 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.364 -4.357 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.329 -5.177 -2.288 1.00 0.00 H new ATOM 1215 N CYS B 79 1.674 -4.632 -1.979 1.00 0.00 N ATOM 1216 CA CYS B 79 2.801 -3.753 -2.358 1.00 0.00 C ATOM 1217 C CYS B 79 2.283 -2.547 -3.128 1.00 0.00 C ATOM 1218 O CYS B 79 1.719 -2.664 -4.198 1.00 0.00 O ATOM 1219 CB CYS B 79 3.795 -4.543 -3.207 1.00 0.00 C ATOM 1220 SG CYS B 79 5.020 -3.424 -3.920 1.00 0.00 S ATOM 0 H CYS B 79 1.740 -5.588 -2.328 1.00 0.00 H new ATOM 0 HA CYS B 79 3.305 -3.397 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.291 -5.297 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.268 -5.073 -4.001 1.00 0.00 H new ATOM 0 HG CYS B 79 5.685 -4.044 -4.849 1.00 0.00 H new ATOM 1225 N GLY B 80 2.471 -1.387 -2.578 1.00 0.00 N ATOM 1226 CA GLY B 80 1.994 -0.151 -3.255 1.00 0.00 C ATOM 1227 C GLY B 80 2.760 0.035 -4.563 1.00 0.00 C ATOM 1228 O GLY B 80 2.541 0.983 -5.292 1.00 0.00 O ATOM 0 H GLY B 80 2.937 -1.238 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY B 80 0.924 -0.221 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.143 0.713 -2.607 1.00 0.00 H new ATOM 1232 N ALA B 81 3.660 -0.857 -4.862 1.00 0.00 N ATOM 1233 CA ALA B 81 4.444 -0.731 -6.120 1.00 0.00 C ATOM 1234 C ALA B 81 3.675 -1.384 -7.266 1.00 0.00 C ATOM 1235 O ALA B 81 3.511 -0.812 -8.326 1.00 0.00 O ATOM 1236 CB ALA B 81 5.800 -1.421 -5.946 1.00 0.00 C ATOM 0 H ALA B 81 3.887 -1.669 -4.289 1.00 0.00 H new ATOM 0 HA ALA B 81 4.603 0.323 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.376 -1.330 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.346 -0.950 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.645 -2.476 -5.718 1.00 0.00 H new ATOM 1242 N CYS B 82 3.205 -2.580 -7.056 1.00 0.00 N ATOM 1243 CA CYS B 82 2.440 -3.289 -8.123 1.00 0.00 C ATOM 1244 C CYS B 82 1.006 -3.514 -7.645 1.00 0.00 C ATOM 1245 O CYS B 82 0.217 -4.162 -8.305 1.00 0.00 O ATOM 1246 CB CYS B 82 3.102 -4.639 -8.403 1.00 0.00 C ATOM 1247 SG CYS B 82 3.667 -5.365 -6.843 1.00 0.00 S ATOM 0 H CYS B 82 3.317 -3.102 -6.187 1.00 0.00 H new ATOM 0 HA CYS B 82 2.432 -2.691 -9.034 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.396 -5.308 -8.894 1.00 0.00 H new ATOM 0 HB3 CYS B 82 3.944 -4.510 -9.083 1.00 0.00 H new ATOM 0 HG CYS B 82 4.964 -5.309 -6.783 1.00 0.00 H new ATOM 1252 N ARG B 83 0.664 -2.994 -6.494 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.712 -3.188 -5.975 1.00 0.00 C ATOM 1254 C ARG B 83 -1.019 -4.682 -5.963 1.00 0.00 C ATOM 1255 O ARG B 83 -2.103 -5.109 -6.308 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.716 -2.458 -6.874 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.485 -0.942 -6.789 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.460 -0.203 -7.715 1.00 0.00 C ATOM 1259 NE ARG B 83 -2.148 -0.507 -9.150 1.00 0.00 N ATOM 1260 CZ ARG B 83 -1.223 0.150 -9.801 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -0.652 1.194 -9.268 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -0.901 -0.215 -11.012 1.00 0.00 N ATOM 0 H ARG B 83 1.281 -2.445 -5.896 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.789 -2.783 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.606 -2.794 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.734 -2.698 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.621 -0.603 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.458 -0.707 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.484 -0.500 -7.488 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.394 0.871 -7.541 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.668 -1.242 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.926 1.505 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.068 1.700 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.370 -1.010 -11.447 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -0.180 0.294 -11.524 1.00 0.00 H new ATOM 1276 N ARG B 84 -0.060 -5.478 -5.563 1.00 0.00 N ATOM 1277 CA ARG B 84 -0.274 -6.955 -5.518 1.00 0.00 C ATOM 1278 C ARG B 84 -0.181 -7.414 -4.059 1.00 0.00 C ATOM 1279 O ARG B 84 0.616 -6.887 -3.309 1.00 0.00 O ATOM 1280 CB ARG B 84 0.816 -7.650 -6.342 1.00 0.00 C ATOM 1281 CG ARG B 84 0.302 -7.922 -7.756 1.00 0.00 C ATOM 1282 CD ARG B 84 1.470 -8.350 -8.649 1.00 0.00 C ATOM 1283 NE ARG B 84 1.944 -9.698 -8.233 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.164 -10.072 -8.504 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.969 -9.264 -9.138 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.581 -11.255 -8.142 1.00 0.00 N ATOM 0 H ARG B 84 0.865 -5.167 -5.265 1.00 0.00 H new ATOM 0 HA ARG B 84 -1.252 -7.207 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG B 84 1.708 -7.025 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.105 -8.586 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.458 -8.703 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG B 84 -0.171 -7.027 -8.161 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.156 -8.369 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.283 -7.628 -8.574 1.00 0.00 H new ATOM 0 HE ARG B 84 1.315 -10.329 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.644 -8.340 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG B 84 4.923 -9.557 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.953 -11.888 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.535 -11.546 -8.354 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.991 -8.377 -3.688 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.992 -8.893 -2.310 1.00 0.00 C ATOM 1302 C PRO B 85 0.405 -9.379 -1.919 1.00 0.00 C ATOM 1303 O PRO B 85 0.908 -10.348 -2.452 1.00 0.00 O ATOM 1304 CB PRO B 85 -2.011 -10.044 -2.321 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.647 -10.099 -3.728 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.957 -9.030 -4.594 1.00 0.00 C ATOM 0 HA PRO B 85 -1.259 -8.131 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.522 -10.989 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.777 -9.884 -1.562 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.519 -11.088 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.719 -9.912 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.455 -9.479 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.678 -8.313 -4.987 1.00 0.00 H new ATOM 1314 N ILE B 86 1.030 -8.713 -0.983 1.00 0.00 N ATOM 1315 CA ILE B 86 2.394 -9.146 -0.555 1.00 0.00 C ATOM 1316 C ILE B 86 2.267 -10.457 0.224 1.00 0.00 C ATOM 1317 O ILE B 86 1.208 -10.783 0.723 1.00 0.00 O ATOM 1318 CB ILE B 86 3.041 -8.059 0.312 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.238 -6.791 -0.526 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.404 -8.543 0.812 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.165 -5.555 0.377 1.00 0.00 C ATOM 0 H ILE B 86 0.659 -7.895 -0.500 1.00 0.00 H new ATOM 0 HA ILE B 86 3.029 -9.303 -1.427 1.00 0.00 H new ATOM 0 HB ILE B 86 2.394 -7.845 1.163 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.202 -6.826 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.473 -6.733 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.862 -7.769 1.428 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.274 -9.448 1.405 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.049 -8.757 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.306 -4.657 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.190 -5.517 0.864 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.947 -5.611 1.134 1.00 0.00 H new ATOM 1333 N GLU B 87 3.319 -11.226 0.321 1.00 0.00 N ATOM 1334 CA GLU B 87 3.207 -12.524 1.056 1.00 0.00 C ATOM 1335 C GLU B 87 4.591 -13.029 1.472 1.00 0.00 C ATOM 1336 O GLU B 87 5.023 -14.095 1.075 1.00 0.00 O ATOM 1337 CB GLU B 87 2.532 -13.561 0.153 1.00 0.00 C ATOM 1338 CG GLU B 87 3.048 -13.403 -1.279 1.00 0.00 C ATOM 1339 CD GLU B 87 2.704 -14.657 -2.087 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.580 -14.752 -2.547 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.574 -15.500 -2.231 1.00 0.00 O ATOM 0 H GLU B 87 4.238 -11.018 -0.069 1.00 0.00 H new ATOM 0 HA GLU B 87 2.609 -12.370 1.954 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.741 -14.567 0.517 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.450 -13.431 0.178 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.600 -12.524 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.127 -13.246 -1.273 1.00 0.00 H new ATOM 1348 N GLY B 88 5.277 -12.277 2.277 1.00 0.00 N ATOM 1349 CA GLY B 88 6.626 -12.694 2.748 1.00 0.00 C ATOM 1350 C GLY B 88 7.110 -11.653 3.744 1.00 0.00 C ATOM 1351 O GLY B 88 6.673 -11.607 4.876 1.00 0.00 O ATOM 0 H GLY B 88 4.958 -11.377 2.636 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.581 -13.678 3.215 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.317 -12.771 1.909 1.00 0.00 H new ATOM 1355 N ARG B 89 7.976 -10.789 3.311 1.00 0.00 N ATOM 1356 CA ARG B 89 8.466 -9.705 4.200 1.00 0.00 C ATOM 1357 C ARG B 89 7.936 -8.395 3.635 1.00 0.00 C ATOM 1358 O ARG B 89 8.173 -8.058 2.491 1.00 0.00 O ATOM 1359 CB ARG B 89 9.988 -9.697 4.235 1.00 0.00 C ATOM 1360 CG ARG B 89 10.487 -10.873 5.074 1.00 0.00 C ATOM 1361 CD ARG B 89 11.973 -10.683 5.395 1.00 0.00 C ATOM 1362 NE ARG B 89 12.709 -11.969 5.194 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.226 -13.098 5.637 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.127 -13.117 6.340 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.858 -14.215 5.395 1.00 0.00 N ATOM 0 H ARG B 89 8.370 -10.786 2.370 1.00 0.00 H new ATOM 0 HA ARG B 89 8.119 -9.852 5.223 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.386 -9.765 3.222 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.347 -8.758 4.656 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.912 -10.944 5.997 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.338 -11.807 4.533 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.396 -9.909 4.755 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.091 -10.344 6.424 1.00 0.00 H new ATOM 0 HE ARG B 89 13.603 -11.964 4.703 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.639 -12.246 6.547 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.756 -14.003 6.683 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.727 -14.204 4.861 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.483 -15.098 5.740 1.00 0.00 H new ATOM 1379 N VAL B 90 7.179 -7.680 4.407 1.00 0.00 N ATOM 1380 CA VAL B 90 6.576 -6.413 3.901 1.00 0.00 C ATOM 1381 C VAL B 90 7.384 -5.200 4.350 1.00 0.00 C ATOM 1382 O VAL B 90 8.102 -5.239 5.329 1.00 0.00 O ATOM 1383 CB VAL B 90 5.153 -6.288 4.452 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.469 -5.048 3.864 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.346 -7.536 4.076 1.00 0.00 C ATOM 0 H VAL B 90 6.947 -7.915 5.372 1.00 0.00 H new ATOM 0 HA VAL B 90 6.571 -6.443 2.811 1.00 0.00 H new ATOM 0 HB VAL B 90 5.200 -6.192 5.537 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.457 -4.968 4.262 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.037 -4.157 4.133 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.426 -5.137 2.778 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.333 -7.446 4.469 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.307 -7.631 2.991 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.823 -8.419 4.501 1.00 0.00 H new ATOM 1395 N VAL B 91 7.233 -4.107 3.648 1.00 0.00 N ATOM 1396 CA VAL B 91 7.941 -2.857 4.025 1.00 0.00 C ATOM 1397 C VAL B 91 6.880 -1.790 4.238 1.00 0.00 C ATOM 1398 O VAL B 91 6.164 -1.428 3.330 1.00 0.00 O ATOM 1399 CB VAL B 91 8.899 -2.428 2.911 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.200 -0.930 3.040 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.204 -3.215 3.042 1.00 0.00 C ATOM 0 H VAL B 91 6.641 -4.031 2.821 1.00 0.00 H new ATOM 0 HA VAL B 91 8.531 -3.008 4.929 1.00 0.00 H new ATOM 0 HB VAL B 91 8.441 -2.625 1.941 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.882 -0.626 2.246 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.272 -0.364 2.957 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.660 -0.733 4.008 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.891 -2.914 2.251 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.656 -3.011 4.013 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.996 -4.281 2.956 1.00 0.00 H new ATOM 1411 N ASN B 92 6.751 -1.293 5.432 1.00 0.00 N ATOM 1412 CA ASN B 92 5.713 -0.263 5.684 1.00 0.00 C ATOM 1413 C ASN B 92 6.298 1.124 5.440 1.00 0.00 C ATOM 1414 O ASN B 92 7.076 1.632 6.225 1.00 0.00 O ATOM 1415 CB ASN B 92 5.227 -0.375 7.127 1.00 0.00 C ATOM 1416 CG ASN B 92 4.457 -1.684 7.307 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.626 -1.797 8.187 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.699 -2.686 6.507 1.00 0.00 N ATOM 0 H ASN B 92 7.316 -1.554 6.240 1.00 0.00 H new ATOM 0 HA ASN B 92 4.872 -0.419 5.008 1.00 0.00 H new ATOM 0 HB2 ASN B 92 6.075 -0.343 7.811 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.587 0.472 7.373 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.191 -3.563 6.620 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.396 -2.592 5.768 1.00 0.00 H new ATOM 1425 N ALA B 93 5.927 1.738 4.354 1.00 0.00 N ATOM 1426 CA ALA B 93 6.453 3.094 4.041 1.00 0.00 C ATOM 1427 C ALA B 93 5.352 3.901 3.358 1.00 0.00 C ATOM 1428 O ALA B 93 4.410 3.349 2.830 1.00 0.00 O ATOM 1429 CB ALA B 93 7.650 2.968 3.097 1.00 0.00 C ATOM 0 H ALA B 93 5.278 1.357 3.665 1.00 0.00 H new ATOM 0 HA ALA B 93 6.767 3.593 4.958 1.00 0.00 H new ATOM 0 HB1 ALA B 93 8.037 3.960 2.866 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.430 2.376 3.576 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.337 2.477 2.175 1.00 0.00 H new ATOM 1435 N MET B 94 5.455 5.202 3.370 1.00 0.00 N ATOM 1436 CA MET B 94 4.400 6.025 2.724 1.00 0.00 C ATOM 1437 C MET B 94 3.073 5.690 3.382 1.00 0.00 C ATOM 1438 O MET B 94 2.008 5.955 2.854 1.00 0.00 O ATOM 1439 CB MET B 94 4.317 5.689 1.233 1.00 0.00 C ATOM 1440 CG MET B 94 5.723 5.602 0.628 1.00 0.00 C ATOM 1441 SD MET B 94 6.374 7.271 0.383 1.00 0.00 S ATOM 1442 CE MET B 94 8.100 6.922 0.802 1.00 0.00 C ATOM 0 H MET B 94 6.219 5.726 3.797 1.00 0.00 H new ATOM 0 HA MET B 94 4.632 7.084 2.837 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.795 4.742 1.095 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.737 6.451 0.713 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.381 5.036 1.288 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.690 5.069 -0.322 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.597 7.847 1.095 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.137 6.212 1.628 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.606 6.497 -0.065 1.00 0.00 H new ATOM 1452 N GLY B 95 3.142 5.086 4.523 1.00 0.00 N ATOM 1453 CA GLY B 95 1.898 4.696 5.235 1.00 0.00 C ATOM 1454 C GLY B 95 1.248 3.554 4.461 1.00 0.00 C ATOM 1455 O GLY B 95 0.051 3.346 4.511 1.00 0.00 O ATOM 0 H GLY B 95 4.010 4.842 5.000 1.00 0.00 H new ATOM 0 HA2 GLY B 95 2.125 4.384 6.255 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.217 5.544 5.305 1.00 0.00 H new ATOM 1459 N LYS B 96 2.043 2.827 3.728 1.00 0.00 N ATOM 1460 CA LYS B 96 1.518 1.696 2.910 1.00 0.00 C ATOM 1461 C LYS B 96 2.349 0.442 3.171 1.00 0.00 C ATOM 1462 O LYS B 96 2.962 0.286 4.205 1.00 0.00 O ATOM 1463 CB LYS B 96 1.627 2.071 1.427 1.00 0.00 C ATOM 1464 CG LYS B 96 0.739 3.294 1.125 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.201 2.976 -0.042 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.908 4.255 -0.491 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.847 4.706 0.574 1.00 0.00 N ATOM 0 H LYS B 96 3.051 2.970 3.659 1.00 0.00 H new ATOM 0 HA LYS B 96 0.479 1.501 3.176 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.664 2.293 1.175 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.322 1.228 0.807 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.159 3.561 2.009 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.361 4.155 0.879 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.363 2.549 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.935 2.230 0.261 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.175 5.035 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.452 4.076 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.436 5.483 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.457 3.913 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.305 5.038 1.397 1.00 0.00 H new ATOM 1481 N GLN B 97 2.367 -0.445 2.219 1.00 0.00 N ATOM 1482 CA GLN B 97 3.142 -1.706 2.341 1.00 0.00 C ATOM 1483 C GLN B 97 3.870 -1.901 1.011 1.00 0.00 C ATOM 1484 O GLN B 97 3.350 -1.553 -0.031 1.00 0.00 O ATOM 1485 CB GLN B 97 2.165 -2.854 2.590 1.00 0.00 C ATOM 1486 CG GLN B 97 1.732 -2.833 4.070 1.00 0.00 C ATOM 1487 CD GLN B 97 0.252 -3.216 4.211 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.284 -3.209 5.298 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.432 -3.551 3.154 1.00 0.00 N ATOM 0 H GLN B 97 1.863 -0.344 1.338 1.00 0.00 H new ATOM 0 HA GLN B 97 3.856 -1.675 3.164 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.294 -2.755 1.942 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.635 -3.807 2.349 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.348 -3.526 4.643 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.897 -1.840 4.488 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.016 -3.558 2.238 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.416 -3.806 3.243 1.00 0.00 H new ATOM 1498 N TRP B 98 5.072 -2.410 1.012 1.00 0.00 N ATOM 1499 CA TRP B 98 5.796 -2.557 -0.283 1.00 0.00 C ATOM 1500 C TRP B 98 6.592 -3.860 -0.310 1.00 0.00 C ATOM 1501 O TRP B 98 7.216 -4.230 0.664 1.00 0.00 O ATOM 1502 CB TRP B 98 6.757 -1.373 -0.429 1.00 0.00 C ATOM 1503 CG TRP B 98 5.992 -0.096 -0.297 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.662 0.502 0.871 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.458 0.745 -1.351 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.948 1.658 0.594 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.798 1.849 -0.764 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.480 0.653 -2.747 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.181 2.827 -1.542 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 4.864 1.632 -3.535 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.214 2.719 -2.936 1.00 0.00 C ATOM 0 H TRP B 98 5.578 -2.726 1.839 1.00 0.00 H new ATOM 0 HA TRP B 98 5.077 -2.577 -1.102 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.534 -1.425 0.333 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.256 -1.413 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.913 0.139 1.857 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.579 2.289 1.306 1.00 0.00 H new ATOM 0 HE3 TRP B 98 5.977 -0.181 -3.221 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.681 3.661 -1.072 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 4.890 1.549 -4.611 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.740 3.471 -3.549 1.00 0.00 H new ATOM 1522 N HIS B 99 6.612 -4.548 -1.425 1.00 0.00 N ATOM 1523 CA HIS B 99 7.416 -5.801 -1.480 1.00 0.00 C ATOM 1524 C HIS B 99 8.846 -5.423 -1.108 1.00 0.00 C ATOM 1525 O HIS B 99 9.395 -4.471 -1.624 1.00 0.00 O ATOM 1526 CB HIS B 99 7.422 -6.391 -2.894 1.00 0.00 C ATOM 1527 CG HIS B 99 6.169 -7.187 -3.141 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.246 -6.821 -4.103 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.687 -8.337 -2.573 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.260 -7.736 -4.090 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.480 -8.683 -3.176 1.00 0.00 N ATOM 0 H HIS B 99 6.116 -4.301 -2.282 1.00 0.00 H new ATOM 0 HA HIS B 99 6.992 -6.543 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.501 -5.589 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.296 -7.029 -3.024 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.302 -6.005 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.169 -8.890 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.397 -7.708 -4.739 1.00 0.00 H new ATOM 1539 N VAL B 100 9.459 -6.147 -0.226 1.00 0.00 N ATOM 1540 CA VAL B 100 10.851 -5.803 0.151 1.00 0.00 C ATOM 1541 C VAL B 100 11.685 -5.712 -1.123 1.00 0.00 C ATOM 1542 O VAL B 100 12.791 -5.207 -1.128 1.00 0.00 O ATOM 1543 CB VAL B 100 11.400 -6.899 1.058 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.928 -6.856 1.054 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.878 -6.677 2.475 1.00 0.00 C ATOM 0 H VAL B 100 9.062 -6.958 0.249 1.00 0.00 H new ATOM 0 HA VAL B 100 10.885 -4.850 0.680 1.00 0.00 H new ATOM 0 HB VAL B 100 11.075 -7.874 0.696 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.316 -7.641 1.703 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.294 -7.011 0.039 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.266 -5.885 1.417 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.265 -7.456 3.132 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.207 -5.702 2.835 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.789 -6.714 2.471 1.00 0.00 H new ATOM 1555 N GLU B 101 11.160 -6.219 -2.198 1.00 0.00 N ATOM 1556 CA GLU B 101 11.903 -6.197 -3.482 1.00 0.00 C ATOM 1557 C GLU B 101 11.482 -4.989 -4.330 1.00 0.00 C ATOM 1558 O GLU B 101 12.239 -4.511 -5.152 1.00 0.00 O ATOM 1559 CB GLU B 101 11.601 -7.491 -4.249 1.00 0.00 C ATOM 1560 CG GLU B 101 12.161 -7.405 -5.671 1.00 0.00 C ATOM 1561 CD GLU B 101 13.642 -7.022 -5.620 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.418 -7.803 -5.098 1.00 0.00 O ATOM 1563 OE2 GLU B 101 13.971 -5.950 -6.103 1.00 0.00 O ATOM 0 H GLU B 101 10.238 -6.652 -2.242 1.00 0.00 H new ATOM 0 HA GLU B 101 12.971 -6.119 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.040 -8.342 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.525 -7.659 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.040 -8.362 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.604 -6.666 -6.247 1.00 0.00 H new ATOM 1570 N HIS B 102 10.279 -4.500 -4.158 1.00 0.00 N ATOM 1571 CA HIS B 102 9.826 -3.334 -4.984 1.00 0.00 C ATOM 1572 C HIS B 102 9.986 -2.028 -4.211 1.00 0.00 C ATOM 1573 O HIS B 102 9.815 -0.958 -4.763 1.00 0.00 O ATOM 1574 CB HIS B 102 8.361 -3.520 -5.390 1.00 0.00 C ATOM 1575 CG HIS B 102 8.235 -4.741 -6.260 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.076 -5.515 -6.318 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.119 -5.337 -7.125 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.306 -6.514 -7.191 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.531 -6.454 -7.708 1.00 0.00 N ATOM 0 H HIS B 102 9.595 -4.852 -3.488 1.00 0.00 H new ATOM 0 HA HIS B 102 10.446 -3.285 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.737 -3.626 -4.503 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.006 -2.640 -5.926 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.122 -4.990 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.582 -7.275 -7.442 1.00 0.00 H new ATOM 0 HE2 HIS B 102 8.949 -7.091 -8.386 1.00 0.00 H new ATOM 1587 N PHE B 103 10.342 -2.078 -2.959 1.00 0.00 N ATOM 1588 CA PHE B 103 10.534 -0.806 -2.221 1.00 0.00 C ATOM 1589 C PHE B 103 11.908 -0.283 -2.595 1.00 0.00 C ATOM 1590 O PHE B 103 12.921 -0.827 -2.204 1.00 0.00 O ATOM 1591 CB PHE B 103 10.450 -1.014 -0.710 1.00 0.00 C ATOM 1592 CG PHE B 103 10.309 0.341 -0.047 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.201 1.150 -0.342 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.288 0.797 0.844 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.078 2.410 0.255 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.160 2.057 1.439 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.056 2.864 1.144 1.00 0.00 C ATOM 0 H PHE B 103 10.506 -2.931 -2.424 1.00 0.00 H new ATOM 0 HA PHE B 103 9.748 -0.099 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.599 -1.648 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.343 -1.523 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.444 0.801 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.142 0.176 1.072 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.225 3.033 0.028 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.915 2.407 2.127 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.960 3.837 1.603 1.00 0.00 H new ATOM 1607 N VAL B 104 11.953 0.739 -3.397 1.00 0.00 N ATOM 1608 CA VAL B 104 13.262 1.268 -3.857 1.00 0.00 C ATOM 1609 C VAL B 104 13.311 2.783 -3.741 1.00 0.00 C ATOM 1610 O VAL B 104 12.338 3.442 -3.428 1.00 0.00 O ATOM 1611 CB VAL B 104 13.439 0.909 -5.331 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.368 -0.612 -5.533 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.334 1.590 -6.145 1.00 0.00 C ATOM 0 H VAL B 104 11.136 1.233 -3.755 1.00 0.00 H new ATOM 0 HA VAL B 104 14.047 0.834 -3.237 1.00 0.00 H new ATOM 0 HB VAL B 104 14.418 1.253 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.496 -0.845 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.158 -1.093 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.399 -0.979 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.452 1.340 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.360 1.245 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.402 2.671 -6.019 1.00 0.00 H new ATOM 1623 N CYS B 105 14.453 3.329 -4.032 1.00 0.00 N ATOM 1624 CA CYS B 105 14.626 4.800 -3.994 1.00 0.00 C ATOM 1625 C CYS B 105 13.709 5.444 -5.030 1.00 0.00 C ATOM 1626 O CYS B 105 13.420 4.869 -6.061 1.00 0.00 O ATOM 1627 CB CYS B 105 16.081 5.114 -4.327 1.00 0.00 C ATOM 1628 SG CYS B 105 16.241 6.824 -4.897 1.00 0.00 S ATOM 0 H CYS B 105 15.288 2.808 -4.299 1.00 0.00 H new ATOM 0 HA CYS B 105 14.374 5.190 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.704 4.957 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.440 4.432 -5.097 1.00 0.00 H new ATOM 0 HG CYS B 105 17.500 7.126 -5.014 1.00 0.00 H new ATOM 1633 N ALA B 106 13.242 6.630 -4.765 1.00 0.00 N ATOM 1634 CA ALA B 106 12.339 7.308 -5.733 1.00 0.00 C ATOM 1635 C ALA B 106 13.165 8.175 -6.689 1.00 0.00 C ATOM 1636 O ALA B 106 12.698 9.174 -7.199 1.00 0.00 O ATOM 1637 CB ALA B 106 11.360 8.180 -4.952 1.00 0.00 C ATOM 0 H ALA B 106 13.447 7.160 -3.918 1.00 0.00 H new ATOM 0 HA ALA B 106 11.791 6.569 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.689 8.686 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.778 7.556 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.913 8.922 -4.377 1.00 0.00 H new ATOM 1643 N LYS B 107 14.395 7.794 -6.938 1.00 0.00 N ATOM 1644 CA LYS B 107 15.262 8.591 -7.865 1.00 0.00 C ATOM 1645 C LYS B 107 16.067 7.654 -8.767 1.00 0.00 C ATOM 1646 O LYS B 107 16.388 7.985 -9.891 1.00 0.00 O ATOM 1647 CB LYS B 107 16.242 9.443 -7.050 1.00 0.00 C ATOM 1648 CG LYS B 107 17.077 10.324 -7.987 1.00 0.00 C ATOM 1649 CD LYS B 107 16.160 11.265 -8.779 1.00 0.00 C ATOM 1650 CE LYS B 107 16.901 12.568 -9.096 1.00 0.00 C ATOM 1651 NZ LYS B 107 16.850 13.468 -7.909 1.00 0.00 N ATOM 0 H LYS B 107 14.837 6.965 -6.540 1.00 0.00 H new ATOM 0 HA LYS B 107 14.624 9.231 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.694 10.067 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.897 8.798 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.796 10.905 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.650 9.699 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS B 107 15.841 10.783 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.259 11.479 -8.204 1.00 0.00 H new ATOM 0 HE2 LYS B 107 17.937 12.355 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.446 13.058 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 16.867 14.459 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.976 13.289 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.672 13.285 -7.299 1.00 0.00 H new ATOM 1665 N CYS B 108 16.416 6.493 -8.277 1.00 0.00 N ATOM 1666 CA CYS B 108 17.229 5.542 -9.097 1.00 0.00 C ATOM 1667 C CYS B 108 16.576 4.163 -9.104 1.00 0.00 C ATOM 1668 O CYS B 108 16.900 3.320 -9.915 1.00 0.00 O ATOM 1669 CB CYS B 108 18.619 5.434 -8.478 1.00 0.00 C ATOM 1670 SG CYS B 108 18.471 4.706 -6.832 1.00 0.00 S ATOM 0 H CYS B 108 16.174 6.161 -7.344 1.00 0.00 H new ATOM 0 HA CYS B 108 17.294 5.908 -10.122 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.264 4.819 -9.105 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.081 6.419 -8.414 1.00 0.00 H new ATOM 0 HG CYS B 108 17.784 5.501 -6.066 1.00 0.00 H new ATOM 1675 N GLU B 109 15.656 3.924 -8.211 1.00 0.00 N ATOM 1676 CA GLU B 109 14.981 2.604 -8.160 1.00 0.00 C ATOM 1677 C GLU B 109 15.941 1.540 -7.635 1.00 0.00 C ATOM 1678 O GLU B 109 16.044 0.462 -8.181 1.00 0.00 O ATOM 1679 CB GLU B 109 14.474 2.206 -9.554 1.00 0.00 C ATOM 1680 CG GLU B 109 13.900 3.438 -10.270 1.00 0.00 C ATOM 1681 CD GLU B 109 12.822 2.996 -11.263 1.00 0.00 C ATOM 1682 OE1 GLU B 109 11.704 2.769 -10.834 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.135 2.894 -12.440 1.00 0.00 O ATOM 0 H GLU B 109 15.343 4.595 -7.510 1.00 0.00 H new ATOM 0 HA GLU B 109 14.129 2.679 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.289 1.780 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.708 1.435 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.477 4.130 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU B 109 14.694 3.971 -10.793 1.00 0.00 H new ATOM 1690 N LYS B 110 16.623 1.826 -6.555 1.00 0.00 N ATOM 1691 CA LYS B 110 17.548 0.819 -5.962 1.00 0.00 C ATOM 1692 C LYS B 110 16.835 0.187 -4.757 1.00 0.00 C ATOM 1693 O LYS B 110 16.619 0.850 -3.763 1.00 0.00 O ATOM 1694 CB LYS B 110 18.836 1.506 -5.498 1.00 0.00 C ATOM 1695 CG LYS B 110 19.943 0.458 -5.312 1.00 0.00 C ATOM 1696 CD LYS B 110 20.002 0.014 -3.849 1.00 0.00 C ATOM 1697 CE LYS B 110 21.124 -1.011 -3.669 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.391 -0.462 -4.230 1.00 0.00 N ATOM 0 H LYS B 110 16.577 2.716 -6.059 1.00 0.00 H new ATOM 0 HA LYS B 110 17.808 0.058 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.146 2.251 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.661 2.034 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS B 110 19.753 -0.402 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS B 110 20.904 0.875 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.175 0.875 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.048 -0.420 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.252 -1.244 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS B 110 20.864 -1.943 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.201 -0.963 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.398 -0.591 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.459 0.552 -4.008 1.00 0.00 H new ATOM 1712 N PRO B 111 16.447 -1.064 -4.881 1.00 0.00 N ATOM 1713 CA PRO B 111 15.708 -1.758 -3.810 1.00 0.00 C ATOM 1714 C PRO B 111 16.581 -2.016 -2.589 1.00 0.00 C ATOM 1715 O PRO B 111 17.720 -2.425 -2.685 1.00 0.00 O ATOM 1716 CB PRO B 111 15.278 -3.091 -4.428 1.00 0.00 C ATOM 1717 CG PRO B 111 15.966 -3.211 -5.805 1.00 0.00 C ATOM 1718 CD PRO B 111 16.703 -1.887 -6.078 1.00 0.00 C ATOM 0 HA PRO B 111 14.869 -1.156 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.564 -3.922 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.194 -3.131 -4.537 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.666 -4.046 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.230 -3.406 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO B 111 17.770 -2.051 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.327 -1.403 -6.979 1.00 0.00 H new ATOM 1726 N PHE B 112 16.018 -1.808 -1.435 1.00 0.00 N ATOM 1727 CA PHE B 112 16.772 -2.072 -0.172 1.00 0.00 C ATOM 1728 C PHE B 112 16.421 -3.472 0.332 1.00 0.00 C ATOM 1729 O PHE B 112 15.963 -3.637 1.444 1.00 0.00 O ATOM 1730 CB PHE B 112 17.214 -0.936 1.591 1.00 0.00 C ATOM 1731 CG PHE B 112 16.096 0.274 0.259 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.838 0.512 -0.302 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.073 1.270 0.236 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.557 1.754 -0.889 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.796 2.506 -0.351 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.540 2.753 -0.912 1.00 0.00 C ATOM 0 H PHE B 112 15.066 -1.466 -1.307 1.00 0.00 H new ATOM 0 HA PHE B 112 17.663 -1.719 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.763 -1.234 2.537 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.250 -0.671 1.801 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.083 -0.260 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.043 1.085 0.672 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.585 1.940 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.555 3.274 -0.372 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.327 3.711 -1.362 1.00 0.00 H new ATOM 1745 N LEU B 113 16.628 -4.476 -0.471 1.00 0.00 N ATOM 1746 CA LEU B 113 16.300 -5.864 -0.028 1.00 0.00 C ATOM 1747 C LEU B 113 16.685 -6.021 1.443 1.00 0.00 C ATOM 1748 O LEU B 113 15.877 -6.376 2.280 1.00 0.00 O ATOM 1749 CB LEU B 113 17.097 -6.865 -0.869 1.00 0.00 C ATOM 1750 CG LEU B 113 16.314 -7.202 -2.142 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.056 -5.920 -2.911 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.124 -8.160 -3.017 1.00 0.00 C ATOM 0 H LEU B 113 17.009 -4.399 -1.414 1.00 0.00 H new ATOM 0 HA LEU B 113 15.233 -6.050 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.069 -6.446 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.284 -7.772 -0.294 1.00 0.00 H new ATOM 0 HG LEU B 113 15.371 -7.677 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.499 -6.147 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.477 -5.235 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.007 -5.456 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.559 -8.394 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.069 -7.691 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.322 -9.079 -2.464 1.00 0.00 H new ATOM 1764 N GLY B 114 17.917 -5.742 1.759 1.00 0.00 N ATOM 1765 CA GLY B 114 18.382 -5.851 3.169 1.00 0.00 C ATOM 1766 C GLY B 114 19.213 -4.617 3.512 1.00 0.00 C ATOM 1767 O GLY B 114 20.130 -4.675 4.309 1.00 0.00 O ATOM 0 H GLY B 114 18.629 -5.440 1.094 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.529 -5.930 3.842 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.977 -6.755 3.301 1.00 0.00 H new ATOM 1771 N HIS B 115 18.902 -3.498 2.911 1.00 0.00 N ATOM 1772 CA HIS B 115 19.677 -2.249 3.188 1.00 0.00 C ATOM 1773 C HIS B 115 18.766 -1.201 3.835 1.00 0.00 C ATOM 1774 O HIS B 115 17.588 -1.426 4.040 1.00 0.00 O ATOM 1775 CB HIS B 115 20.239 -1.695 1.872 1.00 0.00 C ATOM 1776 CG HIS B 115 20.543 -2.830 0.935 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.293 -2.750 -0.427 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.074 -4.076 1.147 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.672 -3.921 -0.977 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.157 -4.764 -0.061 1.00 0.00 N ATOM 0 H HIS B 115 18.143 -3.394 2.238 1.00 0.00 H new ATOM 0 HA HIS B 115 20.496 -2.480 3.869 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.519 -1.016 1.415 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.143 -1.118 2.066 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.382 -4.465 2.106 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.593 -4.150 -2.030 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.512 -5.708 -0.214 1.00 0.00 H new ATOM 1788 N ARG B 116 19.307 -0.056 4.157 1.00 0.00 N ATOM 1789 CA ARG B 116 18.487 1.018 4.791 1.00 0.00 C ATOM 1790 C ARG B 116 17.975 1.970 3.707 1.00 0.00 C ATOM 1791 O ARG B 116 18.653 2.235 2.734 1.00 0.00 O ATOM 1792 CB ARG B 116 19.363 1.798 5.785 1.00 0.00 C ATOM 1793 CG ARG B 116 18.699 3.139 6.127 1.00 0.00 C ATOM 1794 CD ARG B 116 19.379 3.746 7.356 1.00 0.00 C ATOM 1795 NE ARG B 116 18.601 4.929 7.820 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.812 5.424 9.007 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.705 4.885 9.790 1.00 0.00 N ATOM 1798 NH2 ARG B 116 18.130 6.462 9.412 1.00 0.00 N ATOM 0 H ARG B 116 20.287 0.183 4.007 1.00 0.00 H new ATOM 0 HA ARG B 116 17.640 0.576 5.316 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.508 1.212 6.693 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.350 1.970 5.356 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.777 3.822 5.281 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.637 2.992 6.321 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.444 3.005 8.152 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.399 4.041 7.112 1.00 0.00 H new ATOM 0 HE ARG B 116 17.903 5.352 7.208 1.00 0.00 H new ATOM 0 HH11 ARG B 116 20.239 4.076 9.473 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.870 5.273 10.719 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.433 6.885 8.799 1.00 0.00 H new ATOM 0 HH22 ARG B 116 18.295 6.850 10.341 1.00 0.00 H new ATOM 1812 N HIS B 117 16.786 2.497 3.875 1.00 0.00 N ATOM 1813 CA HIS B 117 16.238 3.443 2.859 1.00 0.00 C ATOM 1814 C HIS B 117 16.046 4.813 3.493 1.00 0.00 C ATOM 1815 O HIS B 117 16.157 4.985 4.689 1.00 0.00 O ATOM 1816 CB HIS B 117 14.889 2.950 2.344 1.00 0.00 C ATOM 1817 CG HIS B 117 14.062 2.458 3.499 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.133 1.153 3.957 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.142 3.089 4.300 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.277 1.040 4.992 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.648 2.191 5.240 1.00 0.00 N ATOM 0 H HIS B 117 16.175 2.312 4.670 1.00 0.00 H new ATOM 0 HA HIS B 117 16.941 3.505 2.028 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.368 3.756 1.827 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.035 2.149 1.620 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.847 4.124 4.213 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.119 0.130 5.552 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.953 2.373 5.964 1.00 0.00 H new ATOM 1829 N TYR B 118 15.774 5.795 2.682 1.00 0.00 N ATOM 1830 CA TYR B 118 15.590 7.174 3.197 1.00 0.00 C ATOM 1831 C TYR B 118 14.316 7.768 2.581 1.00 0.00 C ATOM 1832 O TYR B 118 14.036 7.578 1.414 1.00 0.00 O ATOM 1833 CB TYR B 118 16.829 7.972 2.806 1.00 0.00 C ATOM 1834 CG TYR B 118 18.046 7.147 3.172 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.347 5.980 2.452 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.854 7.520 4.252 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.448 5.198 2.811 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.953 6.730 4.609 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.247 5.571 3.892 1.00 0.00 C ATOM 1840 OH TYR B 118 21.327 4.792 4.256 1.00 0.00 O ATOM 0 H TYR B 118 15.671 5.697 1.672 1.00 0.00 H new ATOM 0 HA TYR B 118 15.475 7.195 4.281 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.822 8.189 1.738 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.846 8.930 3.326 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.726 5.686 1.619 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.630 8.417 4.810 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.681 4.304 2.251 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.575 7.019 5.443 1.00 0.00 H new ATOM 0 HH TYR B 118 21.390 4.019 3.657 1.00 0.00 H new ATOM 1850 N GLU B 119 13.523 8.453 3.366 1.00 0.00 N ATOM 1851 CA GLU B 119 12.239 9.019 2.840 1.00 0.00 C ATOM 1852 C GLU B 119 12.331 10.534 2.674 1.00 0.00 C ATOM 1853 O GLU B 119 13.004 11.220 3.418 1.00 0.00 O ATOM 1854 CB GLU B 119 11.113 8.693 3.824 1.00 0.00 C ATOM 1855 CG GLU B 119 10.601 7.276 3.568 1.00 0.00 C ATOM 1856 CD GLU B 119 9.668 6.855 4.703 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.484 7.132 4.604 1.00 0.00 O ATOM 1858 OE2 GLU B 119 10.153 6.261 5.654 1.00 0.00 O ATOM 0 H GLU B 119 13.708 8.646 4.350 1.00 0.00 H new ATOM 0 HA GLU B 119 12.039 8.576 1.864 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.475 8.780 4.848 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.300 9.410 3.712 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.073 7.236 2.616 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.439 6.583 3.497 1.00 0.00 H new ATOM 1865 N ARG B 120 11.632 11.063 1.703 1.00 0.00 N ATOM 1866 CA ARG B 120 11.647 12.538 1.480 1.00 0.00 C ATOM 1867 C ARG B 120 10.334 12.992 0.836 1.00 0.00 C ATOM 1868 O ARG B 120 9.894 12.455 -0.163 1.00 0.00 O ATOM 1869 CB ARG B 120 12.804 12.916 0.559 1.00 0.00 C ATOM 1870 CG ARG B 120 12.891 14.448 0.440 1.00 0.00 C ATOM 1871 CD ARG B 120 12.790 14.862 -1.029 1.00 0.00 C ATOM 1872 NE ARG B 120 11.600 14.219 -1.655 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.166 14.642 -2.812 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.773 15.624 -3.419 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.123 14.080 -3.360 1.00 0.00 N ATOM 0 H ARG B 120 11.050 10.534 1.053 1.00 0.00 H new ATOM 0 HA ARG B 120 11.768 13.029 2.446 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.740 12.518 0.952 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.658 12.473 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.089 14.912 1.014 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.831 14.802 0.863 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.711 15.946 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.695 14.570 -1.562 1.00 0.00 H new ATOM 0 HE ARG B 120 11.126 13.450 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.588 16.063 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.433 15.953 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.649 13.312 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.782 14.409 -4.263 1.00 0.00 H new ATOM 1889 N LYS B 121 9.716 13.990 1.404 1.00 0.00 N ATOM 1890 CA LYS B 121 8.438 14.514 0.848 1.00 0.00 C ATOM 1891 C LYS B 121 7.467 13.366 0.643 1.00 0.00 C ATOM 1892 O LYS B 121 6.544 13.450 -0.142 1.00 0.00 O ATOM 1893 CB LYS B 121 8.694 15.213 -0.485 1.00 0.00 C ATOM 1894 CG LYS B 121 9.488 16.501 -0.250 1.00 0.00 C ATOM 1895 CD LYS B 121 9.419 17.380 -1.500 1.00 0.00 C ATOM 1896 CE LYS B 121 10.168 18.689 -1.245 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.380 19.537 -0.311 1.00 0.00 N ATOM 0 H LYS B 121 10.047 14.471 2.241 1.00 0.00 H new ATOM 0 HA LYS B 121 8.012 15.232 1.549 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.246 14.552 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.747 15.442 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.084 17.038 0.608 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.526 16.263 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.858 16.857 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.380 17.587 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.151 18.482 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.329 19.217 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.724 20.517 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.376 19.509 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.489 19.178 0.659 1.00 0.00 H new ATOM 1911 N GLY B 122 7.661 12.294 1.350 1.00 0.00 N ATOM 1912 CA GLY B 122 6.736 11.145 1.196 1.00 0.00 C ATOM 1913 C GLY B 122 7.200 10.260 0.047 1.00 0.00 C ATOM 1914 O GLY B 122 6.413 9.626 -0.625 1.00 0.00 O ATOM 0 H GLY B 122 8.415 12.164 2.024 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.701 10.568 2.120 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.724 11.504 1.005 1.00 0.00 H new ATOM 1918 N LEU B 123 8.479 10.211 -0.175 1.00 0.00 N ATOM 1919 CA LEU B 123 9.022 9.362 -1.270 1.00 0.00 C ATOM 1920 C LEU B 123 10.343 8.759 -0.814 1.00 0.00 C ATOM 1921 O LEU B 123 11.118 9.384 -0.118 1.00 0.00 O ATOM 1922 CB LEU B 123 9.246 10.201 -2.529 1.00 0.00 C ATOM 1923 CG LEU B 123 7.939 10.356 -3.306 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.195 11.236 -4.530 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.434 8.975 -3.754 1.00 0.00 C ATOM 0 H LEU B 123 9.179 10.726 0.358 1.00 0.00 H new ATOM 0 HA LEU B 123 8.310 8.570 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.632 11.183 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.998 9.727 -3.160 1.00 0.00 H new ATOM 0 HG LEU B 123 7.183 10.818 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.269 11.354 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.551 12.214 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.948 10.768 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.502 9.090 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.180 8.505 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.261 8.349 -2.878 1.00 0.00 H new ATOM 1937 N ALA B 124 10.601 7.539 -1.187 1.00 0.00 N ATOM 1938 CA ALA B 124 11.863 6.888 -0.754 1.00 0.00 C ATOM 1939 C ALA B 124 13.042 7.410 -1.563 1.00 0.00 C ATOM 1940 O ALA B 124 12.907 7.817 -2.700 1.00 0.00 O ATOM 1941 CB ALA B 124 11.766 5.381 -0.970 1.00 0.00 C ATOM 0 H ALA B 124 9.993 6.966 -1.772 1.00 0.00 H new ATOM 0 HA ALA B 124 12.015 7.114 0.301 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.694 4.907 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.936 4.982 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.598 5.175 -2.027 1.00 0.00 H new ATOM 1947 N TYR B 125 14.207 7.375 -0.982 1.00 0.00 N ATOM 1948 CA TYR B 125 15.416 7.835 -1.704 1.00 0.00 C ATOM 1949 C TYR B 125 16.624 7.124 -1.126 1.00 0.00 C ATOM 1950 O TYR B 125 16.723 6.939 0.064 1.00 0.00 O ATOM 1951 CB TYR B 125 15.587 9.336 -1.522 1.00 0.00 C ATOM 1952 CG TYR B 125 14.605 10.050 -2.398 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.885 10.247 -3.751 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.409 10.514 -1.856 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.956 10.911 -4.564 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.488 11.172 -2.657 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.756 11.375 -4.014 1.00 0.00 C ATOM 1958 OH TYR B 125 11.839 12.033 -4.810 1.00 0.00 O ATOM 0 H TYR B 125 14.371 7.045 -0.031 1.00 0.00 H new ATOM 0 HA TYR B 125 15.316 7.612 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.428 9.609 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.604 9.632 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.814 9.889 -4.170 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.198 10.361 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.166 11.064 -5.612 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.562 11.528 -2.232 1.00 0.00 H new ATOM 0 HH TYR B 125 10.935 11.872 -4.469 1.00 0.00 H new ATOM 1968 N CYS B 126 17.552 6.724 -1.940 1.00 0.00 N ATOM 1969 CA CYS B 126 18.735 6.038 -1.373 1.00 0.00 C ATOM 1970 C CYS B 126 19.396 6.973 -0.356 1.00 0.00 C ATOM 1971 O CYS B 126 18.983 8.101 -0.174 1.00 0.00 O ATOM 1972 CB CYS B 126 19.754 5.733 -2.471 1.00 0.00 C ATOM 1973 SG CYS B 126 19.100 4.478 -3.589 1.00 0.00 S ATOM 0 H CYS B 126 17.545 6.839 -2.953 1.00 0.00 H new ATOM 0 HA CYS B 126 18.416 5.106 -0.907 1.00 0.00 H new ATOM 0 HB2 CYS B 126 19.985 6.642 -3.027 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.687 5.385 -2.027 1.00 0.00 H new ATOM 0 HG CYS B 126 19.010 4.970 -4.789 1.00 0.00 H new ATOM 1978 N GLU B 127 20.432 6.520 0.287 1.00 0.00 N ATOM 1979 CA GLU B 127 21.139 7.389 1.275 1.00 0.00 C ATOM 1980 C GLU B 127 21.741 8.597 0.552 1.00 0.00 C ATOM 1981 O GLU B 127 21.810 9.687 1.084 1.00 0.00 O ATOM 1982 CB GLU B 127 22.284 6.603 1.921 1.00 0.00 C ATOM 1983 CG GLU B 127 22.874 7.407 3.084 1.00 0.00 C ATOM 1984 CD GLU B 127 23.727 6.486 3.961 1.00 0.00 C ATOM 1985 OE1 GLU B 127 24.161 5.461 3.463 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.930 6.822 5.114 1.00 0.00 O ATOM 0 H GLU B 127 20.823 5.585 0.174 1.00 0.00 H new ATOM 0 HA GLU B 127 20.428 7.715 2.034 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.919 5.641 2.280 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.057 6.395 1.181 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.481 8.228 2.702 1.00 0.00 H new ATOM 0 HG3 GLU B 127 22.074 7.851 3.676 1.00 0.00 H new ATOM 1993 N THR B 128 22.207 8.393 -0.649 1.00 0.00 N ATOM 1994 CA THR B 128 22.845 9.502 -1.415 1.00 0.00 C ATOM 1995 C THR B 128 21.808 10.314 -2.184 1.00 0.00 C ATOM 1996 O THR B 128 21.857 11.524 -2.201 1.00 0.00 O ATOM 1997 CB THR B 128 23.863 8.919 -2.398 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.909 8.289 -1.673 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.441 10.041 -3.263 1.00 0.00 C ATOM 0 H THR B 128 22.173 7.498 -1.137 1.00 0.00 H new ATOM 0 HA THR B 128 23.341 10.165 -0.706 1.00 0.00 H new ATOM 0 HB THR B 128 23.373 8.187 -3.039 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.562 7.913 -2.300 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.166 9.625 -3.963 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.637 10.523 -3.818 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.933 10.775 -2.625 1.00 0.00 H new ATOM 2007 N HIS B 129 20.875 9.678 -2.827 1.00 0.00 N ATOM 2008 CA HIS B 129 19.873 10.453 -3.586 1.00 0.00 C ATOM 2009 C HIS B 129 19.034 11.236 -2.598 1.00 0.00 C ATOM 2010 O HIS B 129 18.787 12.411 -2.776 1.00 0.00 O ATOM 2011 CB HIS B 129 19.007 9.506 -4.416 1.00 0.00 C ATOM 2012 CG HIS B 129 19.898 8.799 -5.414 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.774 7.447 -5.740 1.00 0.00 N ATOM 2014 CD2 HIS B 129 20.951 9.263 -6.167 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.729 7.162 -6.646 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.471 8.231 -6.940 1.00 0.00 N ATOM 0 H HIS B 129 20.766 8.664 -2.858 1.00 0.00 H new ATOM 0 HA HIS B 129 20.360 11.145 -4.273 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.510 8.782 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.224 10.062 -4.933 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.319 10.278 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS B 129 20.876 6.185 -7.082 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.253 8.281 -7.593 1.00 0.00 H new ATOM 2024 N TYR B 130 18.636 10.619 -1.530 1.00 0.00 N ATOM 2025 CA TYR B 130 17.861 11.348 -0.521 1.00 0.00 C ATOM 2026 C TYR B 130 18.632 12.601 -0.185 1.00 0.00 C ATOM 2027 O TYR B 130 18.148 13.709 -0.290 1.00 0.00 O ATOM 2028 CB TYR B 130 17.772 10.492 0.733 1.00 0.00 C ATOM 2029 CG TYR B 130 17.227 11.315 1.871 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.218 12.253 1.635 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.734 11.144 3.166 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.719 13.013 2.686 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.229 11.908 4.219 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.219 12.844 3.980 1.00 0.00 C ATOM 2035 OH TYR B 130 15.715 13.601 5.019 1.00 0.00 O ATOM 0 H TYR B 130 18.818 9.638 -1.318 1.00 0.00 H new ATOM 0 HA TYR B 130 16.861 11.582 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.128 9.631 0.553 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.757 10.104 0.991 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.827 12.387 0.637 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.515 10.421 3.349 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.940 13.738 2.502 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.618 11.776 5.218 1.00 0.00 H new ATOM 0 HH TYR B 130 16.350 14.313 5.244 1.00 0.00 H new ATOM 2045 N ASN B 131 19.842 12.406 0.224 1.00 0.00 N ATOM 2046 CA ASN B 131 20.685 13.557 0.577 1.00 0.00 C ATOM 2047 C ASN B 131 20.930 14.399 -0.669 1.00 0.00 C ATOM 2048 O ASN B 131 20.814 15.608 -0.642 1.00 0.00 O ATOM 2049 CB ASN B 131 22.016 13.074 1.153 1.00 0.00 C ATOM 2050 CG ASN B 131 21.821 12.640 2.607 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.860 13.453 3.508 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.609 11.380 2.876 1.00 0.00 N ATOM 0 H ASN B 131 20.284 11.493 0.329 1.00 0.00 H new ATOM 0 HA ASN B 131 20.179 14.161 1.330 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.398 12.241 0.563 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.758 13.871 1.097 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.476 11.080 3.842 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.576 10.696 2.120 1.00 0.00 H new ATOM 2059 N GLN B 132 21.245 13.778 -1.775 1.00 0.00 N ATOM 2060 CA GLN B 132 21.458 14.584 -3.010 1.00 0.00 C ATOM 2061 C GLN B 132 20.207 15.422 -3.207 1.00 0.00 C ATOM 2062 O GLN B 132 20.246 16.549 -3.658 1.00 0.00 O ATOM 2063 CB GLN B 132 21.661 13.669 -4.225 1.00 0.00 C ATOM 2064 CG GLN B 132 22.354 14.451 -5.343 1.00 0.00 C ATOM 2065 CD GLN B 132 23.836 14.618 -5.010 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.255 14.362 -3.898 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.658 15.037 -5.933 1.00 0.00 N ATOM 0 H GLN B 132 21.362 12.770 -1.876 1.00 0.00 H new ATOM 0 HA GLN B 132 22.347 15.207 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.262 12.804 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.700 13.291 -4.573 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.241 13.926 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN B 132 21.885 15.428 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.309 15.253 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.649 15.149 -5.720 1.00 0.00 H new ATOM 2076 N LEU B 133 19.091 14.861 -2.842 1.00 0.00 N ATOM 2077 CA LEU B 133 17.802 15.585 -2.961 1.00 0.00 C ATOM 2078 C LEU B 133 17.666 16.573 -1.802 1.00 0.00 C ATOM 2079 O LEU B 133 17.111 17.646 -1.948 1.00 0.00 O ATOM 2080 CB LEU B 133 16.649 14.571 -2.900 1.00 0.00 C ATOM 2081 CG LEU B 133 16.259 14.108 -4.311 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.046 12.855 -4.702 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.768 13.779 -4.333 1.00 0.00 C ATOM 0 H LEU B 133 19.018 13.918 -2.461 1.00 0.00 H new ATOM 0 HA LEU B 133 17.770 16.126 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.945 13.712 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.787 15.022 -2.408 1.00 0.00 H new ATOM 0 HG LEU B 133 16.486 14.906 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.756 12.542 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.113 13.076 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.830 12.054 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.483 13.449 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.560 12.985 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.195 14.668 -4.067 1.00 0.00 H new ATOM 2095 N PHE B 134 18.153 16.214 -0.649 1.00 0.00 N ATOM 2096 CA PHE B 134 18.040 17.125 0.524 1.00 0.00 C ATOM 2097 C PHE B 134 19.096 16.768 1.568 1.00 0.00 C ATOM 2098 O PHE B 134 20.139 17.386 1.657 1.00 0.00 O ATOM 2099 CB PHE B 134 16.646 16.965 1.143 1.00 0.00 C ATOM 2100 CG PHE B 134 15.675 17.886 0.446 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.563 19.223 0.844 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.892 17.401 -0.604 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.663 20.077 0.194 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.991 18.253 -1.259 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.879 19.590 -0.860 1.00 0.00 C ATOM 0 H PHE B 134 18.625 15.328 -0.467 1.00 0.00 H new ATOM 0 HA PHE B 134 18.194 18.154 0.199 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.313 15.931 1.051 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.681 17.195 2.208 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.172 19.597 1.654 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.980 16.370 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.574 21.108 0.504 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.384 17.878 -2.070 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.187 20.247 -1.366 1.00 0.00 H new ATOM 2115 N GLY B 135 18.825 15.777 2.366 1.00 0.00 N ATOM 2116 CA GLY B 135 19.799 15.370 3.421 1.00 0.00 C ATOM 2117 C GLY B 135 19.552 16.191 4.687 1.00 0.00 C ATOM 2118 O GLY B 135 20.461 16.481 5.439 1.00 0.00 O ATOM 0 H GLY B 135 17.967 15.226 2.335 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.693 14.307 3.638 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.819 15.524 3.068 1.00 0.00 H new ATOM 2122 N ASP B 136 18.326 16.567 4.928 1.00 0.00 N ATOM 2123 CA ASP B 136 18.018 17.369 6.143 1.00 0.00 C ATOM 2124 C ASP B 136 19.005 18.533 6.254 1.00 0.00 C ATOM 2125 O ASP B 136 19.620 18.743 7.279 1.00 0.00 O ATOM 2126 CB ASP B 136 18.137 16.482 7.386 1.00 0.00 C ATOM 2127 CG ASP B 136 16.946 15.523 7.443 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.243 15.420 6.451 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.758 14.906 8.478 1.00 0.00 O ATOM 0 H ASP B 136 17.524 16.353 4.335 1.00 0.00 H new ATOM 0 HA ASP B 136 17.003 17.759 6.069 1.00 0.00 H new ATOM 0 HB2 ASP B 136 19.070 15.919 7.356 1.00 0.00 H new ATOM 0 HB3 ASP B 136 18.165 17.098 8.285 1.00 0.00 H new ATOM 2134 N VAL B 137 19.158 19.292 5.204 1.00 0.00 N ATOM 2135 CA VAL B 137 20.107 20.442 5.249 1.00 0.00 C ATOM 2136 C VAL B 137 19.788 21.410 4.108 1.00 0.00 C ATOM 2137 O VAL B 137 20.206 21.202 4.022 1.00 0.00 O ATOM 2138 CB VAL B 137 21.539 19.930 5.099 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.716 19.306 3.712 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.515 21.096 5.261 1.00 0.00 C ATOM 0 H VAL B 137 18.668 19.167 4.318 1.00 0.00 H new ATOM 0 HA VAL B 137 20.006 20.959 6.203 1.00 0.00 H new ATOM 0 HB VAL B 137 21.739 19.179 5.863 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.737 18.941 3.605 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.020 18.476 3.595 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.517 20.057 2.947 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.537 20.732 5.154 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.315 21.847 4.496 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.389 21.541 6.248 1.00 0.00 H new