USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -1.52! USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= -0.865 USER MOD Set 2.2: A 61 MET CE :methyl -136:sc= -6.55! (180deg=-12!) USER MOD Set 3.1: A 39 GLN : amide:sc= -0.914 K(o=-0.91,f=-0.023) USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 35 THR OG1 : rot -150:sc= 0.226 USER MOD Set 4.2: A 81 SER OG : rot 135:sc= 0.805 USER MOD Set 5.1: A 24 THR OG1 : rot 180:sc= 0.025 USER MOD Set 5.2: A 59 HIS : no HD1:sc= -1.87 K(o=-1.8,f=-0.76) USER MOD Set 6.1: A 4 MET CE :methyl 148:sc= -4.22 (180deg=-3.3!) USER MOD Set 6.2: A 27 MET CE :methyl 173:sc= -3.2 (180deg=-0.702) USER MOD Set 6.3: A 34 HIS : no HE2:sc= -6.13! C(o=-14!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0888 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.718 K(o=-0.72,f=-2.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.67! K(o=-4.7!,f=-1.2) USER MOD Single : A 12 THR OG1 : rot 5:sc= 0.686! USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0.0456 (180deg=-0.0651) USER MOD Single : A 17 SER OG : rot 180:sc= 0.021 USER MOD Single : A 18 TYR OH : rot 119:sc= -0.669 USER MOD Single : A 19 SER OG : rot 73:sc= 1.01 USER MOD Single : A 25 MET CE :methyl -144:sc= -0.59 (180deg=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0.221 (180deg=0.103) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0735 X(o=-0.073,f=-0.073) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -96:sc= -1.41! USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.08) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -1.75 K(o=-1.7,f=-9.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 70 THR OG1 : rot -16:sc= 0.536 USER MOD Single : A 80 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 85 TYR OH : rot 117:sc= -2.17! USER MOD Single : A 86 ASN : amide:sc= -2.02! K(o=-2!,f=-1.2) USER MOD Single : A 90 SER OG : rot 129:sc= 0.0878 USER MOD Single : A 93 SER OG : rot 110:sc= -1.43! USER MOD Single : A 97 SER OG : rot -123:sc= 1.14 USER MOD Single : A 100 THR OG1 : rot 173:sc= 1.57 USER MOD Single : A 102 SER OG : rot -26:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.508 5.381 -5.828 1.00 0.00 N ATOM 2 CA MET A 1 10.677 5.290 -7.058 1.00 0.00 C ATOM 3 C MET A 1 11.538 5.399 -8.312 1.00 0.00 C ATOM 4 O MET A 1 12.755 5.561 -8.228 1.00 0.00 O ATOM 5 CB MET A 1 9.642 6.417 -7.032 1.00 0.00 C ATOM 6 CG MET A 1 8.360 6.050 -6.301 1.00 0.00 C ATOM 7 SD MET A 1 7.269 7.466 -6.066 1.00 0.00 S ATOM 8 CE MET A 1 6.880 7.309 -4.326 1.00 0.00 C ATOM 0 H1 MET A 1 11.373 4.524 -5.254 1.00 0.00 H new ATOM 0 H2 MET A 1 12.510 5.467 -6.092 1.00 0.00 H new ATOM 0 H3 MET A 1 11.223 6.216 -5.277 1.00 0.00 H new ATOM 0 HA MET A 1 10.179 4.321 -7.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.083 7.293 -6.557 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.398 6.699 -8.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.833 5.279 -6.863 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.609 5.622 -5.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.211 8.116 -4.029 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.394 6.350 -4.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.798 7.365 -3.741 1.00 0.00 H new ATOM 20 N ILE A 2 10.898 5.312 -9.472 1.00 0.00 N ATOM 21 CA ILE A 2 11.609 5.403 -10.743 1.00 0.00 C ATOM 22 C ILE A 2 12.196 6.798 -10.942 1.00 0.00 C ATOM 23 O ILE A 2 12.079 7.660 -10.071 1.00 0.00 O ATOM 24 CB ILE A 2 10.692 5.062 -11.939 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.314 5.718 -11.785 1.00 0.00 C ATOM 26 CG2 ILE A 2 10.548 3.555 -12.079 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.366 7.189 -11.434 1.00 0.00 C ATOM 0 H ILE A 2 9.891 5.179 -9.560 1.00 0.00 H new ATOM 0 HA ILE A 2 12.416 4.672 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 2 11.154 5.458 -12.843 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.760 5.597 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.757 5.190 -11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.899 3.329 -12.925 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.529 3.110 -12.244 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.112 3.145 -11.168 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.352 7.577 -11.343 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.890 7.319 -10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.893 7.732 -12.218 1.00 0.00 H new ATOM 39 N GLN A 3 12.820 7.015 -12.094 1.00 0.00 N ATOM 40 CA GLN A 3 13.416 8.307 -12.407 1.00 0.00 C ATOM 41 C GLN A 3 12.324 9.367 -12.575 1.00 0.00 C ATOM 42 O GLN A 3 11.328 9.142 -13.264 1.00 0.00 O ATOM 43 CB GLN A 3 14.301 8.178 -13.670 1.00 0.00 C ATOM 44 CG GLN A 3 14.113 9.262 -14.727 1.00 0.00 C ATOM 45 CD GLN A 3 12.961 8.964 -15.668 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.403 7.867 -15.654 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.602 9.941 -16.492 1.00 0.00 N ATOM 0 H GLN A 3 12.926 6.313 -12.826 1.00 0.00 H new ATOM 0 HA GLN A 3 14.054 8.629 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.346 8.177 -13.360 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.105 7.210 -14.131 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.937 10.218 -14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.032 9.365 -15.304 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.093 10.835 -16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.835 9.798 -17.149 1.00 0.00 H new ATOM 56 N MET A 4 12.516 10.516 -11.935 1.00 0.00 N ATOM 57 CA MET A 4 11.546 11.604 -12.010 1.00 0.00 C ATOM 58 C MET A 4 10.221 11.189 -11.374 1.00 0.00 C ATOM 59 O MET A 4 10.163 10.222 -10.614 1.00 0.00 O ATOM 60 CB MET A 4 11.327 12.016 -13.469 1.00 0.00 C ATOM 61 CG MET A 4 11.705 13.461 -13.760 1.00 0.00 C ATOM 62 SD MET A 4 10.956 14.631 -12.607 1.00 0.00 S ATOM 63 CE MET A 4 9.946 15.613 -13.716 1.00 0.00 C ATOM 0 H MET A 4 13.333 10.718 -11.359 1.00 0.00 H new ATOM 0 HA MET A 4 11.940 12.457 -11.458 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.911 11.360 -14.114 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.279 11.865 -13.726 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.789 13.563 -13.719 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.399 13.713 -14.775 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.053 15.952 -13.191 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.516 16.477 -14.058 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.655 15.008 -14.575 1.00 0.00 H new ATOM 73 N ALA A 5 9.158 11.924 -11.688 1.00 0.00 N ATOM 74 CA ALA A 5 7.837 11.629 -11.148 1.00 0.00 C ATOM 75 C ALA A 5 6.778 12.518 -11.799 1.00 0.00 C ATOM 76 O ALA A 5 6.911 13.741 -11.814 1.00 0.00 O ATOM 77 CB ALA A 5 7.831 11.817 -9.638 1.00 0.00 C ATOM 0 H ALA A 5 9.187 12.729 -12.314 1.00 0.00 H new ATOM 0 HA ALA A 5 7.597 10.590 -11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.838 11.593 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.559 11.144 -9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.091 12.848 -9.399 1.00 0.00 H new ATOM 83 N PRO A 6 5.708 11.918 -12.351 1.00 0.00 N ATOM 84 CA PRO A 6 4.636 12.676 -13.004 1.00 0.00 C ATOM 85 C PRO A 6 4.036 13.734 -12.082 1.00 0.00 C ATOM 86 O PRO A 6 4.045 13.577 -10.861 1.00 0.00 O ATOM 87 CB PRO A 6 3.592 11.610 -13.339 1.00 0.00 C ATOM 88 CG PRO A 6 4.355 10.332 -13.396 1.00 0.00 C ATOM 89 CD PRO A 6 5.459 10.467 -12.386 1.00 0.00 C ATOM 0 HA PRO A 6 4.998 13.222 -13.875 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.810 11.570 -12.580 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.103 11.821 -14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.713 9.483 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.758 10.161 -14.394 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.160 10.086 -11.409 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.349 9.913 -12.685 1.00 0.00 H new ATOM 97 N PRO A 7 3.503 14.830 -12.651 1.00 0.00 N ATOM 98 CA PRO A 7 2.898 15.908 -11.869 1.00 0.00 C ATOM 99 C PRO A 7 1.528 15.523 -11.326 1.00 0.00 C ATOM 100 O PRO A 7 1.173 14.344 -11.284 1.00 0.00 O ATOM 101 CB PRO A 7 2.753 17.063 -12.875 1.00 0.00 C ATOM 102 CG PRO A 7 3.439 16.611 -14.124 1.00 0.00 C ATOM 103 CD PRO A 7 3.440 15.112 -14.088 1.00 0.00 C ATOM 0 HA PRO A 7 3.505 16.158 -10.999 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.703 17.285 -13.065 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.207 17.976 -12.489 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.917 16.978 -15.008 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.457 16.999 -14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.543 14.694 -14.545 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.293 14.694 -14.622 1.00 0.00 H new ATOM 111 N SER A 8 0.758 16.527 -10.922 1.00 0.00 N ATOM 112 CA SER A 8 -0.580 16.301 -10.395 1.00 0.00 C ATOM 113 C SER A 8 -1.626 16.764 -11.401 1.00 0.00 C ATOM 114 O SER A 8 -1.893 17.959 -11.528 1.00 0.00 O ATOM 115 CB SER A 8 -0.764 17.040 -9.070 1.00 0.00 C ATOM 116 OG SER A 8 -0.180 16.321 -7.998 1.00 0.00 O ATOM 0 H SER A 8 1.039 17.507 -10.950 1.00 0.00 H new ATOM 0 HA SER A 8 -0.707 15.233 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.312 18.030 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.827 17.187 -8.877 1.00 0.00 H new ATOM 0 HG SER A 8 -0.310 16.816 -7.162 1.00 0.00 H new ATOM 122 N LEU A 9 -2.202 15.813 -12.127 1.00 0.00 N ATOM 123 CA LEU A 9 -3.206 16.129 -13.135 1.00 0.00 C ATOM 124 C LEU A 9 -4.570 16.372 -12.502 1.00 0.00 C ATOM 125 O LEU A 9 -4.948 15.712 -11.534 1.00 0.00 O ATOM 126 CB LEU A 9 -3.305 15.000 -14.162 1.00 0.00 C ATOM 127 CG LEU A 9 -4.210 15.295 -15.359 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.881 16.656 -15.953 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.074 14.207 -16.411 1.00 0.00 C ATOM 0 H LEU A 9 -1.991 14.819 -12.037 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.894 17.045 -13.637 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.304 14.774 -14.529 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.671 14.104 -13.661 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.244 15.311 -15.013 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.535 16.849 -16.804 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.030 17.428 -15.198 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.842 16.667 -16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.725 14.434 -17.255 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.040 14.159 -16.753 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.359 13.247 -15.981 1.00 0.00 H new ATOM 141 N ASN A 10 -5.303 17.328 -13.061 1.00 0.00 N ATOM 142 CA ASN A 10 -6.628 17.673 -12.565 1.00 0.00 C ATOM 143 C ASN A 10 -7.468 18.295 -13.681 1.00 0.00 C ATOM 144 O ASN A 10 -6.997 19.156 -14.422 1.00 0.00 O ATOM 145 CB ASN A 10 -6.502 18.628 -11.367 1.00 0.00 C ATOM 146 CG ASN A 10 -7.764 19.428 -11.089 1.00 0.00 C ATOM 147 OD1 ASN A 10 -8.480 19.167 -10.122 1.00 0.00 O ATOM 148 ND2 ASN A 10 -8.037 20.410 -11.940 1.00 0.00 N ATOM 0 H ASN A 10 -4.999 17.880 -13.863 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.135 16.767 -12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.245 18.051 -10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.678 19.318 -11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.869 20.984 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.415 20.590 -12.728 1.00 0.00 H new ATOM 155 N VAL A 11 -8.715 17.850 -13.789 1.00 0.00 N ATOM 156 CA VAL A 11 -9.626 18.361 -14.809 1.00 0.00 C ATOM 157 C VAL A 11 -10.376 19.589 -14.308 1.00 0.00 C ATOM 158 O VAL A 11 -10.855 19.618 -13.175 1.00 0.00 O ATOM 159 CB VAL A 11 -10.651 17.295 -15.244 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.558 17.842 -16.337 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.949 16.030 -15.712 1.00 0.00 C ATOM 0 H VAL A 11 -9.119 17.136 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.012 18.632 -15.668 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.267 17.041 -14.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.275 17.076 -16.632 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.093 18.715 -15.963 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.956 18.127 -17.200 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.692 15.292 -16.014 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.305 16.264 -16.559 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.346 15.626 -14.898 1.00 0.00 H new ATOM 171 N THR A 12 -10.475 20.602 -15.163 1.00 0.00 N ATOM 172 CA THR A 12 -11.169 21.836 -14.813 1.00 0.00 C ATOM 173 C THR A 12 -12.161 22.227 -15.892 1.00 0.00 C ATOM 174 O THR A 12 -11.799 22.442 -17.048 1.00 0.00 O ATOM 175 CB THR A 12 -10.169 22.968 -14.582 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.685 23.470 -15.815 1.00 0.00 O ATOM 177 CG2 THR A 12 -8.972 22.548 -13.755 1.00 0.00 C ATOM 0 H THR A 12 -10.083 20.592 -16.104 1.00 0.00 H new ATOM 0 HA THR A 12 -11.719 21.660 -13.889 1.00 0.00 H new ATOM 0 HB THR A 12 -10.719 23.733 -14.034 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.161 23.037 -16.554 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.301 23.398 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.308 22.202 -12.778 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.444 21.741 -14.263 1.00 0.00 H new ATOM 185 N LYS A 13 -13.417 22.308 -15.491 1.00 0.00 N ATOM 186 CA LYS A 13 -14.497 22.665 -16.404 1.00 0.00 C ATOM 187 C LYS A 13 -14.641 24.180 -16.519 1.00 0.00 C ATOM 188 O LYS A 13 -14.173 24.927 -15.659 1.00 0.00 O ATOM 189 CB LYS A 13 -15.815 22.050 -15.930 1.00 0.00 C ATOM 190 CG LYS A 13 -16.300 20.906 -16.805 1.00 0.00 C ATOM 191 CD LYS A 13 -17.286 21.390 -17.854 1.00 0.00 C ATOM 192 CE LYS A 13 -18.432 20.409 -18.035 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.732 20.991 -17.603 1.00 0.00 N ATOM 0 H LYS A 13 -13.719 22.131 -14.533 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.250 22.269 -17.389 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.692 21.689 -14.909 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.580 22.826 -15.903 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.448 20.434 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.772 20.145 -16.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.681 22.363 -17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.770 21.528 -18.804 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.496 20.114 -19.082 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.230 19.505 -17.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.430 20.230 -17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.606 21.491 -16.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.070 21.660 -18.324 1.00 0.00 H new ATOM 207 N ASP A 14 -15.291 24.624 -17.590 1.00 0.00 N ATOM 208 CA ASP A 14 -15.501 26.048 -17.825 1.00 0.00 C ATOM 209 C ASP A 14 -16.662 26.269 -18.790 1.00 0.00 C ATOM 210 O ASP A 14 -16.532 26.988 -19.780 1.00 0.00 O ATOM 211 CB ASP A 14 -14.228 26.687 -18.386 1.00 0.00 C ATOM 212 CG ASP A 14 -14.074 28.137 -17.974 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.058 28.722 -17.476 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.966 28.689 -18.151 1.00 0.00 O ATOM 0 H ASP A 14 -15.682 24.017 -18.310 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.745 26.519 -16.873 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.361 26.122 -18.044 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.242 26.622 -19.474 1.00 0.00 H new ATOM 219 N GLY A 15 -17.795 25.637 -18.499 1.00 0.00 N ATOM 220 CA GLY A 15 -18.960 25.769 -19.354 1.00 0.00 C ATOM 221 C GLY A 15 -19.028 24.663 -20.386 1.00 0.00 C ATOM 222 O GLY A 15 -19.017 24.924 -21.588 1.00 0.00 O ATOM 0 H GLY A 15 -17.927 25.036 -17.686 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.863 25.752 -18.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.934 26.735 -19.858 1.00 0.00 H new ATOM 226 N ASP A 16 -19.083 23.420 -19.908 1.00 0.00 N ATOM 227 CA ASP A 16 -19.137 22.245 -20.780 1.00 0.00 C ATOM 228 C ASP A 16 -17.732 21.840 -21.223 1.00 0.00 C ATOM 229 O ASP A 16 -17.348 20.676 -21.109 1.00 0.00 O ATOM 230 CB ASP A 16 -20.027 22.496 -22.003 1.00 0.00 C ATOM 231 CG ASP A 16 -20.783 21.254 -22.437 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.603 20.196 -21.800 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.555 21.342 -23.416 1.00 0.00 O ATOM 0 H ASP A 16 -19.091 23.199 -18.912 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.575 21.428 -20.207 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.739 23.289 -21.774 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.411 22.850 -22.830 1.00 0.00 H new ATOM 238 N SER A 17 -16.965 22.807 -21.719 1.00 0.00 N ATOM 239 CA SER A 17 -15.600 22.549 -22.165 1.00 0.00 C ATOM 240 C SER A 17 -14.745 22.048 -21.006 1.00 0.00 C ATOM 241 O SER A 17 -14.886 22.510 -19.874 1.00 0.00 O ATOM 242 CB SER A 17 -14.988 23.820 -22.756 1.00 0.00 C ATOM 243 OG SER A 17 -15.951 24.562 -23.485 1.00 0.00 O ATOM 0 H SER A 17 -17.266 23.776 -21.822 1.00 0.00 H new ATOM 0 HA SER A 17 -15.629 21.779 -22.935 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.580 24.437 -21.955 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.157 23.556 -23.410 1.00 0.00 H new ATOM 0 HG SER A 17 -15.534 25.370 -23.850 1.00 0.00 H new ATOM 249 N TYR A 18 -13.860 21.097 -21.291 1.00 0.00 N ATOM 250 CA TYR A 18 -12.990 20.535 -20.264 1.00 0.00 C ATOM 251 C TYR A 18 -11.527 20.871 -20.531 1.00 0.00 C ATOM 252 O TYR A 18 -11.092 20.939 -21.681 1.00 0.00 O ATOM 253 CB TYR A 18 -13.170 19.018 -20.193 1.00 0.00 C ATOM 254 CG TYR A 18 -14.548 18.594 -19.742 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.583 18.446 -20.657 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.817 18.348 -18.402 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.846 18.064 -20.248 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.078 17.966 -17.985 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.089 17.826 -18.912 1.00 0.00 C ATOM 260 OH TYR A 18 -18.346 17.450 -18.501 1.00 0.00 O ATOM 0 H TYR A 18 -13.727 20.701 -22.221 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.271 20.978 -19.309 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.971 18.590 -21.176 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.429 18.604 -19.509 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.397 18.633 -21.704 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.027 18.457 -17.673 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.640 17.952 -20.972 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.270 17.778 -16.939 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.301 16.568 -18.076 1.00 0.00 H new ATOM 270 N SER A 19 -10.772 21.072 -19.456 1.00 0.00 N ATOM 271 CA SER A 19 -9.353 21.393 -19.560 1.00 0.00 C ATOM 272 C SER A 19 -8.595 20.850 -18.354 1.00 0.00 C ATOM 273 O SER A 19 -9.062 20.954 -17.220 1.00 0.00 O ATOM 274 CB SER A 19 -9.157 22.907 -19.668 1.00 0.00 C ATOM 275 OG SER A 19 -7.882 23.293 -19.181 1.00 0.00 O ATOM 0 H SER A 19 -11.121 21.018 -18.499 1.00 0.00 H new ATOM 0 HA SER A 19 -8.958 20.923 -20.461 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.262 23.217 -20.708 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.936 23.419 -19.103 1.00 0.00 H new ATOM 0 HG SER A 19 -7.191 23.020 -19.821 1.00 0.00 H new ATOM 281 N LEU A 20 -7.428 20.265 -18.600 1.00 0.00 N ATOM 282 CA LEU A 20 -6.619 19.700 -17.521 1.00 0.00 C ATOM 283 C LEU A 20 -5.714 20.765 -16.913 1.00 0.00 C ATOM 284 O LEU A 20 -5.396 21.760 -17.557 1.00 0.00 O ATOM 285 CB LEU A 20 -5.771 18.523 -18.022 1.00 0.00 C ATOM 286 CG LEU A 20 -6.118 17.987 -19.416 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.300 16.741 -19.724 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.605 17.685 -19.521 1.00 0.00 C ATOM 0 H LEU A 20 -7.021 20.169 -19.530 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.302 19.333 -16.755 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.725 18.830 -18.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.863 17.705 -17.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.872 18.755 -20.149 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.558 16.373 -20.717 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.238 16.986 -19.692 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.517 15.971 -18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.830 17.306 -20.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.877 16.936 -18.778 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.175 18.597 -19.343 1.00 0.00 H new ATOM 300 N ARG A 21 -5.301 20.549 -15.669 1.00 0.00 N ATOM 301 CA ARG A 21 -4.430 21.496 -14.982 1.00 0.00 C ATOM 302 C ARG A 21 -3.330 20.767 -14.224 1.00 0.00 C ATOM 303 O ARG A 21 -3.434 20.537 -13.019 1.00 0.00 O ATOM 304 CB ARG A 21 -5.242 22.364 -14.027 1.00 0.00 C ATOM 305 CG ARG A 21 -4.509 23.608 -13.556 1.00 0.00 C ATOM 306 CD ARG A 21 -5.347 24.860 -13.762 1.00 0.00 C ATOM 307 NE ARG A 21 -5.167 25.824 -12.679 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.988 26.845 -12.457 1.00 0.00 C ATOM 309 NH1 ARG A 21 -7.046 27.030 -13.234 1.00 0.00 N ATOM 310 NH2 ARG A 21 -5.753 27.680 -11.453 1.00 0.00 N ATOM 0 H ARG A 21 -5.554 19.729 -15.117 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.964 22.136 -15.731 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.167 22.663 -14.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.522 21.768 -13.158 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.259 23.506 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.569 23.705 -14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.077 25.325 -14.710 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.399 24.585 -13.831 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.366 25.707 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.231 26.388 -14.004 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.675 27.815 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.942 27.538 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.384 28.464 -11.283 1.00 0.00 H new ATOM 324 N TRP A 22 -2.278 20.408 -14.945 1.00 0.00 N ATOM 325 CA TRP A 22 -1.148 19.701 -14.353 1.00 0.00 C ATOM 326 C TRP A 22 -0.060 20.676 -13.915 1.00 0.00 C ATOM 327 O TRP A 22 0.260 21.628 -14.627 1.00 0.00 O ATOM 328 CB TRP A 22 -0.570 18.687 -15.344 1.00 0.00 C ATOM 329 CG TRP A 22 -0.222 19.278 -16.675 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.938 19.907 -17.005 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.035 19.292 -17.855 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.902 20.316 -18.316 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.300 19.951 -18.859 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.309 18.813 -18.161 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.800 20.143 -20.144 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.803 19.005 -19.437 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.051 19.663 -20.412 1.00 0.00 C ATOM 0 H TRP A 22 -2.182 20.594 -15.943 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.511 19.170 -13.473 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.324 18.238 -14.911 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.292 17.883 -15.491 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.769 20.063 -16.333 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.649 20.810 -18.804 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.898 18.302 -17.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.221 20.652 -20.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.789 18.639 -19.685 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.467 19.796 -21.400 1.00 0.00 H new ATOM 348 N GLU A 23 0.505 20.429 -12.738 1.00 0.00 N ATOM 349 CA GLU A 23 1.559 21.279 -12.199 1.00 0.00 C ATOM 350 C GLU A 23 2.719 20.436 -11.677 1.00 0.00 C ATOM 351 O GLU A 23 2.515 19.481 -10.928 1.00 0.00 O ATOM 352 CB GLU A 23 1.007 22.162 -11.078 1.00 0.00 C ATOM 353 CG GLU A 23 1.535 23.588 -11.111 1.00 0.00 C ATOM 354 CD GLU A 23 1.585 24.223 -9.737 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.889 23.726 -8.827 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.322 25.218 -9.569 1.00 0.00 O ATOM 0 H GLU A 23 0.249 19.645 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 23 1.928 21.916 -13.003 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.081 22.184 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.257 21.713 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.535 23.591 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.902 24.191 -11.763 1.00 0.00 H new ATOM 363 N THR A 24 3.935 20.794 -12.078 1.00 0.00 N ATOM 364 CA THR A 24 5.125 20.066 -11.651 1.00 0.00 C ATOM 365 C THR A 24 5.704 20.661 -10.372 1.00 0.00 C ATOM 366 O THR A 24 5.552 21.852 -10.102 1.00 0.00 O ATOM 367 CB THR A 24 6.187 20.085 -12.750 1.00 0.00 C ATOM 368 OG1 THR A 24 6.300 21.379 -13.313 1.00 0.00 O ATOM 369 CG2 THR A 24 5.906 19.116 -13.878 1.00 0.00 C ATOM 0 H THR A 24 4.122 21.583 -12.697 1.00 0.00 H new ATOM 0 HA THR A 24 4.829 19.036 -11.453 1.00 0.00 H new ATOM 0 HB THR A 24 7.113 19.783 -12.260 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.986 21.372 -14.013 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.700 19.183 -14.622 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.863 18.101 -13.483 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.952 19.365 -14.342 1.00 0.00 H new ATOM 377 N MET A 25 6.376 19.820 -9.596 1.00 0.00 N ATOM 378 CA MET A 25 6.993 20.252 -8.348 1.00 0.00 C ATOM 379 C MET A 25 7.831 19.131 -7.744 1.00 0.00 C ATOM 380 O MET A 25 7.940 19.012 -6.523 1.00 0.00 O ATOM 381 CB MET A 25 5.926 20.703 -7.351 1.00 0.00 C ATOM 382 CG MET A 25 4.974 19.593 -6.940 1.00 0.00 C ATOM 383 SD MET A 25 3.405 19.664 -7.825 1.00 0.00 S ATOM 384 CE MET A 25 2.907 21.351 -7.492 1.00 0.00 C ATOM 0 H MET A 25 6.508 18.831 -9.810 1.00 0.00 H new ATOM 0 HA MET A 25 7.647 21.095 -8.568 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.415 21.099 -6.461 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.352 21.519 -7.789 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.447 18.628 -7.122 1.00 0.00 H new ATOM 0 HG3 MET A 25 4.786 19.659 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.825 21.394 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.388 21.699 -6.578 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.205 21.989 -8.324 1.00 0.00 H new ATOM 394 N LYS A 26 8.427 18.315 -8.606 1.00 0.00 N ATOM 395 CA LYS A 26 9.262 17.208 -8.161 1.00 0.00 C ATOM 396 C LYS A 26 10.710 17.415 -8.592 1.00 0.00 C ATOM 397 O LYS A 26 11.496 16.470 -8.646 1.00 0.00 O ATOM 398 CB LYS A 26 8.732 15.887 -8.722 1.00 0.00 C ATOM 399 CG LYS A 26 7.664 15.246 -7.852 1.00 0.00 C ATOM 400 CD LYS A 26 6.287 15.814 -8.153 1.00 0.00 C ATOM 401 CE LYS A 26 5.405 14.793 -8.850 1.00 0.00 C ATOM 402 NZ LYS A 26 4.017 14.797 -8.311 1.00 0.00 N ATOM 0 H LYS A 26 8.346 18.401 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 26 9.228 17.171 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.323 16.062 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.563 15.191 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.658 14.168 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.904 15.408 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.813 16.133 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.387 16.700 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.380 15.005 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.837 13.799 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.378 14.345 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.992 14.272 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.711 15.777 -8.147 1.00 0.00 H new ATOM 416 N MET A 27 11.057 18.664 -8.892 1.00 0.00 N ATOM 417 CA MET A 27 12.410 19.004 -9.313 1.00 0.00 C ATOM 418 C MET A 27 12.626 20.510 -9.288 1.00 0.00 C ATOM 419 O MET A 27 13.701 20.982 -8.921 1.00 0.00 O ATOM 420 CB MET A 27 12.689 18.472 -10.719 1.00 0.00 C ATOM 421 CG MET A 27 11.676 18.927 -11.758 1.00 0.00 C ATOM 422 SD MET A 27 10.124 18.014 -11.666 1.00 0.00 S ATOM 423 CE MET A 27 9.313 18.577 -13.160 1.00 0.00 C ATOM 0 H MET A 27 10.417 19.457 -8.851 1.00 0.00 H new ATOM 0 HA MET A 27 13.101 18.537 -8.611 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.683 18.794 -11.029 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.701 17.382 -10.690 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.476 19.990 -11.623 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.104 18.808 -12.753 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.395 18.010 -13.311 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.074 19.636 -13.067 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.976 18.428 -14.012 1.00 0.00 H new ATOM 433 N ARG A 28 11.600 21.259 -9.695 1.00 0.00 N ATOM 434 CA ARG A 28 11.674 22.713 -9.734 1.00 0.00 C ATOM 435 C ARG A 28 12.667 23.162 -10.798 1.00 0.00 C ATOM 436 O ARG A 28 12.278 23.733 -11.814 1.00 0.00 O ATOM 437 CB ARG A 28 12.082 23.274 -8.370 1.00 0.00 C ATOM 438 CG ARG A 28 10.900 23.599 -7.469 1.00 0.00 C ATOM 439 CD ARG A 28 11.324 23.717 -6.013 1.00 0.00 C ATOM 440 NE ARG A 28 10.177 23.850 -5.119 1.00 0.00 N ATOM 441 CZ ARG A 28 10.285 24.046 -3.809 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.483 24.131 -3.245 1.00 0.00 N ATOM 443 NH2 ARG A 28 9.195 24.158 -3.061 1.00 0.00 N ATOM 0 H ARG A 28 10.706 20.877 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 28 10.685 23.097 -9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.725 22.552 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.674 24.177 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.441 24.533 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.142 22.821 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.903 22.838 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.978 24.581 -5.895 1.00 0.00 H new ATOM 0 HE ARG A 28 9.242 23.789 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.323 24.046 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.564 24.281 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.272 24.094 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.280 24.308 -2.056 1.00 0.00 H new ATOM 457 N TYR A 29 13.946 22.874 -10.552 1.00 0.00 N ATOM 458 CA TYR A 29 15.031 23.215 -11.477 1.00 0.00 C ATOM 459 C TYR A 29 14.770 24.524 -12.232 1.00 0.00 C ATOM 460 O TYR A 29 15.169 25.599 -11.783 1.00 0.00 O ATOM 461 CB TYR A 29 15.235 22.070 -12.468 1.00 0.00 C ATOM 462 CG TYR A 29 16.287 21.068 -12.051 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.477 21.479 -11.464 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.087 19.706 -12.246 1.00 0.00 C ATOM 465 CE1 TYR A 29 18.439 20.561 -11.085 1.00 0.00 C ATOM 466 CE2 TYR A 29 17.044 18.782 -11.870 1.00 0.00 C ATOM 467 CZ TYR A 29 18.218 19.215 -11.289 1.00 0.00 C ATOM 468 OH TYR A 29 19.173 18.299 -10.913 1.00 0.00 O ATOM 0 H TYR A 29 14.260 22.398 -9.706 1.00 0.00 H new ATOM 0 HA TYR A 29 15.934 23.364 -10.884 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.287 21.549 -12.604 1.00 0.00 H new ATOM 0 HB3 TYR A 29 15.511 22.488 -13.436 1.00 0.00 H new ATOM 0 HD1 TYR A 29 17.654 22.532 -11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.168 19.364 -12.699 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.360 20.897 -10.631 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.874 17.728 -12.030 1.00 0.00 H new ATOM 0 HH TYR A 29 18.860 17.395 -11.125 1.00 0.00 H new ATOM 478 N GLU A 30 14.099 24.423 -13.380 1.00 0.00 N ATOM 479 CA GLU A 30 13.784 25.586 -14.198 1.00 0.00 C ATOM 480 C GLU A 30 12.943 25.170 -15.401 1.00 0.00 C ATOM 481 O GLU A 30 12.328 24.103 -15.395 1.00 0.00 O ATOM 482 CB GLU A 30 15.069 26.271 -14.669 1.00 0.00 C ATOM 483 CG GLU A 30 15.044 27.783 -14.516 1.00 0.00 C ATOM 484 CD GLU A 30 15.629 28.499 -15.716 1.00 0.00 C ATOM 485 OE1 GLU A 30 16.196 27.818 -16.596 1.00 0.00 O ATOM 486 OE2 GLU A 30 15.520 29.742 -15.777 1.00 0.00 O ATOM 0 H GLU A 30 13.763 23.539 -13.763 1.00 0.00 H new ATOM 0 HA GLU A 30 13.213 26.291 -13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.912 25.871 -14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.240 26.023 -15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.016 28.113 -14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.602 28.063 -13.623 1.00 0.00 H new ATOM 493 N HIS A 31 12.923 26.006 -16.432 1.00 0.00 N ATOM 494 CA HIS A 31 12.157 25.705 -17.637 1.00 0.00 C ATOM 495 C HIS A 31 12.494 24.311 -18.149 1.00 0.00 C ATOM 496 O HIS A 31 11.619 23.460 -18.306 1.00 0.00 O ATOM 497 CB HIS A 31 12.438 26.745 -18.723 1.00 0.00 C ATOM 498 CG HIS A 31 12.230 28.156 -18.268 1.00 0.00 C ATOM 499 ND1 HIS A 31 11.016 28.633 -17.818 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.090 29.199 -18.194 1.00 0.00 C ATOM 501 CE1 HIS A 31 11.139 29.906 -17.490 1.00 0.00 C ATOM 502 NE2 HIS A 31 12.388 30.273 -17.708 1.00 0.00 N ATOM 0 H HIS A 31 13.425 26.893 -16.459 1.00 0.00 H new ATOM 0 HA HIS A 31 11.097 25.738 -17.386 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.466 26.631 -19.067 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.792 26.549 -19.579 1.00 0.00 H new ATOM 0 HD2 HIS A 31 14.135 29.188 -18.467 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.352 30.539 -17.108 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.770 31.204 -17.542 1.00 0.00 H new ATOM 511 N ILE A 32 13.774 24.092 -18.392 1.00 0.00 N ATOM 512 CA ILE A 32 14.264 22.804 -18.873 1.00 0.00 C ATOM 513 C ILE A 32 13.494 22.321 -20.102 1.00 0.00 C ATOM 514 O ILE A 32 13.493 21.130 -20.411 1.00 0.00 O ATOM 515 CB ILE A 32 14.164 21.733 -17.773 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.758 22.254 -16.464 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.868 20.458 -18.207 1.00 0.00 C ATOM 518 CD1 ILE A 32 14.823 21.210 -15.372 1.00 0.00 C ATOM 0 H ILE A 32 14.502 24.794 -18.264 1.00 0.00 H new ATOM 0 HA ILE A 32 15.307 22.954 -19.150 1.00 0.00 H new ATOM 0 HB ILE A 32 13.111 21.506 -17.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.763 22.631 -16.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.162 23.097 -16.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.788 19.711 -17.417 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.403 20.077 -19.116 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.920 20.671 -18.400 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.255 21.650 -14.473 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.818 20.850 -15.153 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.443 20.377 -15.702 1.00 0.00 H new ATOM 530 N ASP A 33 12.842 23.243 -20.807 1.00 0.00 N ATOM 531 CA ASP A 33 12.081 22.887 -22.004 1.00 0.00 C ATOM 532 C ASP A 33 11.225 21.643 -21.771 1.00 0.00 C ATOM 533 O ASP A 33 10.928 20.897 -22.705 1.00 0.00 O ATOM 534 CB ASP A 33 13.039 22.640 -23.164 1.00 0.00 C ATOM 535 CG ASP A 33 13.550 23.929 -23.778 1.00 0.00 C ATOM 536 OD1 ASP A 33 13.551 24.962 -23.076 1.00 0.00 O ATOM 537 OD2 ASP A 33 13.951 23.905 -24.961 1.00 0.00 O ATOM 0 H ASP A 33 12.825 24.236 -20.573 1.00 0.00 H new ATOM 0 HA ASP A 33 11.415 23.716 -22.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.884 22.048 -22.813 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.534 22.052 -23.930 1.00 0.00 H new ATOM 542 N HIS A 34 10.838 21.424 -20.519 1.00 0.00 N ATOM 543 CA HIS A 34 10.021 20.266 -20.147 1.00 0.00 C ATOM 544 C HIS A 34 8.926 19.995 -21.176 1.00 0.00 C ATOM 545 O HIS A 34 8.491 20.898 -21.890 1.00 0.00 O ATOM 546 CB HIS A 34 9.383 20.478 -18.771 1.00 0.00 C ATOM 547 CG HIS A 34 10.279 20.131 -17.624 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.989 21.075 -16.910 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.571 18.937 -17.055 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.677 20.475 -15.955 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.441 19.180 -16.021 1.00 0.00 N ATOM 0 H HIS A 34 11.077 22.035 -19.738 1.00 0.00 H new ATOM 0 HA HIS A 34 10.684 19.401 -20.113 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.080 21.521 -18.679 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.477 19.876 -18.706 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.983 22.079 -17.091 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.190 17.973 -17.358 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.324 20.963 -15.241 1.00 0.00 H new ATOM 560 N THR A 35 8.481 18.744 -21.235 1.00 0.00 N ATOM 561 CA THR A 35 7.432 18.343 -22.163 1.00 0.00 C ATOM 562 C THR A 35 6.405 17.466 -21.456 1.00 0.00 C ATOM 563 O THR A 35 6.747 16.707 -20.549 1.00 0.00 O ATOM 564 CB THR A 35 8.029 17.592 -23.354 1.00 0.00 C ATOM 565 OG1 THR A 35 9.040 18.363 -23.979 1.00 0.00 O ATOM 566 CG2 THR A 35 7.003 17.238 -24.408 1.00 0.00 C ATOM 0 H THR A 35 8.833 17.988 -20.648 1.00 0.00 H new ATOM 0 HA THR A 35 6.936 19.242 -22.529 1.00 0.00 H new ATOM 0 HB THR A 35 8.437 16.670 -22.941 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.075 18.144 -24.934 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.490 16.707 -25.226 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.235 16.602 -23.969 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.544 18.150 -24.790 1.00 0.00 H new ATOM 574 N PHE A 36 5.147 17.578 -21.866 1.00 0.00 N ATOM 575 CA PHE A 36 4.080 16.793 -21.257 1.00 0.00 C ATOM 576 C PHE A 36 3.337 15.962 -22.296 1.00 0.00 C ATOM 577 O PHE A 36 2.728 16.501 -23.220 1.00 0.00 O ATOM 578 CB PHE A 36 3.097 17.712 -20.531 1.00 0.00 C ATOM 579 CG PHE A 36 3.716 18.471 -19.394 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.002 17.838 -18.195 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.011 19.818 -19.523 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.572 18.533 -17.146 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.580 20.520 -18.478 1.00 0.00 C ATOM 584 CZ PHE A 36 4.861 19.877 -17.288 1.00 0.00 C ATOM 0 H PHE A 36 4.842 18.201 -22.614 1.00 0.00 H new ATOM 0 HA PHE A 36 4.537 16.111 -20.540 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.679 18.421 -21.246 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.267 17.116 -20.151 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.776 16.788 -18.079 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.794 20.325 -20.451 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.791 18.027 -16.217 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.805 21.570 -18.591 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.306 20.424 -16.470 1.00 0.00 H new ATOM 594 N GLU A 37 3.380 14.645 -22.127 1.00 0.00 N ATOM 595 CA GLU A 37 2.700 13.732 -23.037 1.00 0.00 C ATOM 596 C GLU A 37 1.288 13.451 -22.535 1.00 0.00 C ATOM 597 O GLU A 37 1.073 12.544 -21.731 1.00 0.00 O ATOM 598 CB GLU A 37 3.483 12.423 -23.163 1.00 0.00 C ATOM 599 CG GLU A 37 4.084 12.202 -24.542 1.00 0.00 C ATOM 600 CD GLU A 37 3.098 11.589 -25.517 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.296 10.733 -25.090 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.130 11.965 -26.707 1.00 0.00 O ATOM 0 H GLU A 37 3.880 14.185 -21.366 1.00 0.00 H new ATOM 0 HA GLU A 37 2.641 14.198 -24.020 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.283 12.415 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.821 11.590 -22.927 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.436 13.155 -24.938 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.955 11.552 -24.455 1.00 0.00 H new ATOM 609 N ILE A 38 0.332 14.244 -23.005 1.00 0.00 N ATOM 610 CA ILE A 38 -1.058 14.093 -22.595 1.00 0.00 C ATOM 611 C ILE A 38 -1.755 12.985 -23.381 1.00 0.00 C ATOM 612 O ILE A 38 -1.558 12.843 -24.587 1.00 0.00 O ATOM 613 CB ILE A 38 -1.840 15.414 -22.767 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.223 16.515 -21.898 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.310 15.222 -22.413 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.145 16.964 -22.365 1.00 0.00 C ATOM 0 H ILE A 38 0.495 14.999 -23.671 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.048 13.822 -21.539 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.776 15.716 -23.813 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.893 17.375 -21.886 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.147 16.156 -20.872 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.841 16.165 -22.541 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.746 14.468 -23.068 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.395 14.896 -21.376 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.518 17.744 -21.702 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.831 16.117 -22.350 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.073 17.355 -23.380 1.00 0.00 H new ATOM 628 N GLN A 39 -2.576 12.210 -22.680 1.00 0.00 N ATOM 629 CA GLN A 39 -3.318 11.115 -23.293 1.00 0.00 C ATOM 630 C GLN A 39 -4.682 10.970 -22.627 1.00 0.00 C ATOM 631 O GLN A 39 -4.771 10.810 -21.410 1.00 0.00 O ATOM 632 CB GLN A 39 -2.531 9.808 -23.172 1.00 0.00 C ATOM 633 CG GLN A 39 -3.141 8.655 -23.950 1.00 0.00 C ATOM 634 CD GLN A 39 -2.177 7.500 -24.131 1.00 0.00 C ATOM 635 OE1 GLN A 39 -1.839 7.128 -25.255 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.728 6.923 -23.023 1.00 0.00 N ATOM 0 H GLN A 39 -2.745 12.322 -21.680 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.463 11.338 -24.350 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.512 9.973 -23.523 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.464 9.530 -22.120 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.032 8.302 -23.431 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.463 9.012 -24.928 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.034 7.263 -22.111 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.077 6.140 -23.084 1.00 0.00 H new ATOM 645 N TYR A 40 -5.746 11.039 -23.425 1.00 0.00 N ATOM 646 CA TYR A 40 -7.098 10.926 -22.888 1.00 0.00 C ATOM 647 C TYR A 40 -7.908 9.856 -23.613 1.00 0.00 C ATOM 648 O TYR A 40 -8.114 9.927 -24.826 1.00 0.00 O ATOM 649 CB TYR A 40 -7.821 12.277 -22.962 1.00 0.00 C ATOM 650 CG TYR A 40 -7.617 13.020 -24.265 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.358 13.468 -24.645 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.688 13.277 -25.115 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.171 14.150 -25.831 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.507 13.959 -26.303 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.247 14.393 -26.657 1.00 0.00 C ATOM 656 OH TYR A 40 -7.063 15.071 -27.840 1.00 0.00 O ATOM 0 H TYR A 40 -5.698 11.171 -24.435 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.009 10.626 -21.844 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.888 12.114 -22.813 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.477 12.906 -22.141 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.511 13.280 -24.002 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.676 12.938 -24.842 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.185 14.492 -26.110 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.349 14.151 -26.952 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.922 15.158 -28.304 1.00 0.00 H new ATOM 666 N ARG A 41 -8.378 8.875 -22.850 1.00 0.00 N ATOM 667 CA ARG A 41 -9.185 7.790 -23.393 1.00 0.00 C ATOM 668 C ARG A 41 -10.595 7.863 -22.817 1.00 0.00 C ATOM 669 O ARG A 41 -11.040 8.933 -22.409 1.00 0.00 O ATOM 670 CB ARG A 41 -8.544 6.436 -23.076 1.00 0.00 C ATOM 671 CG ARG A 41 -8.595 6.070 -21.603 1.00 0.00 C ATOM 672 CD ARG A 41 -9.564 4.928 -21.347 1.00 0.00 C ATOM 673 NE ARG A 41 -9.134 4.083 -20.238 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.542 2.830 -20.065 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.391 2.282 -20.923 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.104 2.125 -19.031 1.00 0.00 N ATOM 0 H ARG A 41 -8.212 8.810 -21.846 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.239 7.894 -24.477 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.049 5.661 -23.652 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.504 6.450 -23.403 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.599 5.787 -21.263 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.895 6.941 -21.021 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.553 5.333 -21.132 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.657 4.323 -22.249 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.484 4.476 -19.557 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.733 2.822 -21.718 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.703 1.320 -20.788 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.453 2.544 -18.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.418 1.163 -18.900 1.00 0.00 H new ATOM 690 N LYS A 42 -11.302 6.738 -22.778 1.00 0.00 N ATOM 691 CA LYS A 42 -12.659 6.741 -22.240 1.00 0.00 C ATOM 692 C LYS A 42 -13.034 5.408 -21.608 1.00 0.00 C ATOM 693 O LYS A 42 -12.370 4.391 -21.815 1.00 0.00 O ATOM 694 CB LYS A 42 -13.667 7.103 -23.332 1.00 0.00 C ATOM 695 CG LYS A 42 -13.097 7.999 -24.416 1.00 0.00 C ATOM 696 CD LYS A 42 -14.033 8.097 -25.610 1.00 0.00 C ATOM 697 CE LYS A 42 -13.562 7.214 -26.754 1.00 0.00 C ATOM 698 NZ LYS A 42 -13.892 7.802 -28.082 1.00 0.00 N ATOM 0 H LYS A 42 -10.968 5.831 -23.104 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.688 7.496 -21.454 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.039 6.186 -23.789 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.522 7.600 -22.874 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.919 8.995 -24.010 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.132 7.610 -24.740 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.039 7.803 -25.311 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.090 9.132 -25.946 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.484 7.068 -26.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.024 6.231 -26.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.554 7.170 -28.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.922 7.918 -28.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.430 8.729 -28.176 1.00 0.00 H new ATOM 712 N ASP A 43 -14.110 5.436 -20.829 1.00 0.00 N ATOM 713 CA ASP A 43 -14.609 4.256 -20.140 1.00 0.00 C ATOM 714 C ASP A 43 -15.297 3.288 -21.111 1.00 0.00 C ATOM 715 O ASP A 43 -15.719 2.202 -20.713 1.00 0.00 O ATOM 716 CB ASP A 43 -15.575 4.698 -19.028 1.00 0.00 C ATOM 717 CG ASP A 43 -16.437 3.568 -18.493 1.00 0.00 C ATOM 718 OD1 ASP A 43 -16.005 2.897 -17.532 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.543 3.358 -19.033 1.00 0.00 O ATOM 0 H ASP A 43 -14.659 6.278 -20.659 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.768 3.720 -19.700 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.000 5.127 -18.207 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.221 5.488 -19.411 1.00 0.00 H new ATOM 724 N THR A 44 -15.409 3.679 -22.378 1.00 0.00 N ATOM 725 CA THR A 44 -16.046 2.833 -23.380 1.00 0.00 C ATOM 726 C THR A 44 -15.055 2.402 -24.463 1.00 0.00 C ATOM 727 O THR A 44 -15.354 1.521 -25.269 1.00 0.00 O ATOM 728 CB THR A 44 -17.229 3.564 -24.018 1.00 0.00 C ATOM 729 OG1 THR A 44 -18.062 4.132 -23.023 1.00 0.00 O ATOM 730 CG2 THR A 44 -18.091 2.668 -24.881 1.00 0.00 C ATOM 0 H THR A 44 -15.068 4.573 -22.733 1.00 0.00 H new ATOM 0 HA THR A 44 -16.406 1.937 -22.875 1.00 0.00 H new ATOM 0 HB THR A 44 -16.787 4.334 -24.650 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.812 4.597 -23.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.911 3.249 -25.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.489 2.251 -25.688 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.495 1.857 -24.274 1.00 0.00 H new ATOM 738 N ALA A 45 -13.877 3.022 -24.481 1.00 0.00 N ATOM 739 CA ALA A 45 -12.859 2.692 -25.471 1.00 0.00 C ATOM 740 C ALA A 45 -11.543 2.306 -24.802 1.00 0.00 C ATOM 741 O ALA A 45 -11.460 2.219 -23.577 1.00 0.00 O ATOM 742 CB ALA A 45 -12.647 3.861 -26.419 1.00 0.00 C ATOM 0 H ALA A 45 -13.606 3.753 -23.823 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.210 1.833 -26.042 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.884 3.601 -27.153 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.582 4.088 -26.932 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.323 4.734 -25.853 1.00 0.00 H new ATOM 748 N THR A 46 -10.518 2.077 -25.617 1.00 0.00 N ATOM 749 CA THR A 46 -9.204 1.702 -25.105 1.00 0.00 C ATOM 750 C THR A 46 -8.217 2.857 -25.243 1.00 0.00 C ATOM 751 O THR A 46 -8.507 3.860 -25.897 1.00 0.00 O ATOM 752 CB THR A 46 -8.677 0.473 -25.849 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.904 0.592 -27.242 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.311 -0.822 -25.390 1.00 0.00 C ATOM 0 H THR A 46 -10.572 2.144 -26.633 1.00 0.00 H new ATOM 0 HA THR A 46 -9.308 1.461 -24.047 1.00 0.00 H new ATOM 0 HB THR A 46 -7.611 0.437 -25.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.558 -0.203 -27.699 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.893 -1.653 -25.958 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.110 -0.970 -24.329 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.388 -0.777 -25.552 1.00 0.00 H new ATOM 762 N TRP A 47 -7.052 2.710 -24.622 1.00 0.00 N ATOM 763 CA TRP A 47 -6.022 3.741 -24.672 1.00 0.00 C ATOM 764 C TRP A 47 -5.487 3.915 -26.092 1.00 0.00 C ATOM 765 O TRP A 47 -4.953 4.969 -26.439 1.00 0.00 O ATOM 766 CB TRP A 47 -4.874 3.389 -23.723 1.00 0.00 C ATOM 767 CG TRP A 47 -5.213 3.596 -22.279 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.415 2.627 -21.338 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.390 4.849 -21.612 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.711 3.203 -20.127 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.702 4.567 -20.268 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.318 6.184 -22.020 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.939 5.570 -19.331 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.553 7.179 -21.089 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.860 6.866 -19.758 1.00 0.00 C ATOM 0 H TRP A 47 -6.797 1.886 -24.078 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.473 4.682 -24.357 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.591 2.348 -23.877 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.004 3.996 -23.975 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.351 1.564 -21.520 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.906 2.698 -19.263 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.083 6.434 -23.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.177 5.332 -18.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.499 8.214 -21.393 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.038 7.666 -19.055 1.00 0.00 H new ATOM 786 N LYS A 48 -5.633 2.875 -26.909 1.00 0.00 N ATOM 787 CA LYS A 48 -5.161 2.917 -28.290 1.00 0.00 C ATOM 788 C LYS A 48 -5.865 4.021 -29.075 1.00 0.00 C ATOM 789 O LYS A 48 -5.288 4.612 -29.987 1.00 0.00 O ATOM 790 CB LYS A 48 -5.386 1.566 -28.972 1.00 0.00 C ATOM 791 CG LYS A 48 -4.444 0.476 -28.486 1.00 0.00 C ATOM 792 CD LYS A 48 -2.990 0.895 -28.627 1.00 0.00 C ATOM 793 CE LYS A 48 -2.066 -0.310 -28.690 1.00 0.00 C ATOM 794 NZ LYS A 48 -1.805 -0.739 -30.092 1.00 0.00 N ATOM 0 H LYS A 48 -6.073 1.995 -26.640 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.093 3.133 -28.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.415 1.249 -28.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.264 1.687 -30.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.658 0.247 -27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.618 -0.437 -29.055 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.869 1.495 -29.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.709 1.526 -27.784 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.121 -0.069 -28.203 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.509 -1.136 -28.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.171 -1.563 -30.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.703 -0.994 -30.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.358 0.040 -30.616 1.00 0.00 H new ATOM 808 N ASP A 49 -7.114 4.293 -28.712 1.00 0.00 N ATOM 809 CA ASP A 49 -7.896 5.327 -29.381 1.00 0.00 C ATOM 810 C ASP A 49 -7.608 6.697 -28.779 1.00 0.00 C ATOM 811 O ASP A 49 -7.769 7.725 -29.437 1.00 0.00 O ATOM 812 CB ASP A 49 -9.390 5.017 -29.272 1.00 0.00 C ATOM 813 CG ASP A 49 -9.819 3.891 -30.191 1.00 0.00 C ATOM 814 OD1 ASP A 49 -8.966 3.044 -30.531 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.008 3.856 -30.571 1.00 0.00 O ATOM 0 H ASP A 49 -7.606 3.812 -27.959 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.610 5.341 -30.433 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.628 4.751 -28.242 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.962 5.914 -29.510 1.00 0.00 H new ATOM 820 N SER A 50 -7.184 6.702 -27.520 1.00 0.00 N ATOM 821 CA SER A 50 -6.874 7.941 -26.815 1.00 0.00 C ATOM 822 C SER A 50 -5.990 8.852 -27.659 1.00 0.00 C ATOM 823 O SER A 50 -5.114 8.386 -28.387 1.00 0.00 O ATOM 824 CB SER A 50 -6.178 7.629 -25.491 1.00 0.00 C ATOM 825 OG SER A 50 -4.786 7.447 -25.677 1.00 0.00 O ATOM 0 H SER A 50 -7.047 5.858 -26.964 1.00 0.00 H new ATOM 0 HA SER A 50 -7.812 8.461 -26.621 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.351 8.442 -24.786 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.610 6.729 -25.053 1.00 0.00 H new ATOM 0 HG SER A 50 -4.589 6.490 -25.759 1.00 0.00 H new ATOM 831 N LYS A 51 -6.222 10.156 -27.549 1.00 0.00 N ATOM 832 CA LYS A 51 -5.443 11.136 -28.293 1.00 0.00 C ATOM 833 C LYS A 51 -4.178 11.508 -27.530 1.00 0.00 C ATOM 834 O LYS A 51 -4.241 11.966 -26.390 1.00 0.00 O ATOM 835 CB LYS A 51 -6.280 12.388 -28.558 1.00 0.00 C ATOM 836 CG LYS A 51 -6.592 12.603 -30.027 1.00 0.00 C ATOM 837 CD LYS A 51 -5.849 13.806 -30.581 1.00 0.00 C ATOM 838 CE LYS A 51 -6.568 14.398 -31.780 1.00 0.00 C ATOM 839 NZ LYS A 51 -7.395 15.576 -31.401 1.00 0.00 N ATOM 0 H LYS A 51 -6.944 10.558 -26.951 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.157 10.692 -29.247 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.215 12.316 -28.002 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.748 13.259 -28.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.318 11.712 -30.593 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.665 12.745 -30.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.750 14.564 -29.804 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.840 13.511 -30.869 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.837 14.694 -32.533 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.204 13.638 -32.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.241 15.615 -32.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.683 15.492 -30.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.839 16.446 -31.528 1.00 0.00 H new ATOM 853 N THR A 52 -3.028 11.305 -28.164 1.00 0.00 N ATOM 854 CA THR A 52 -1.749 11.618 -27.537 1.00 0.00 C ATOM 855 C THR A 52 -1.267 13.008 -27.931 1.00 0.00 C ATOM 856 O THR A 52 -0.715 13.201 -29.014 1.00 0.00 O ATOM 857 CB THR A 52 -0.695 10.579 -27.924 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.052 9.296 -27.442 1.00 0.00 O ATOM 859 CG2 THR A 52 0.686 10.904 -27.395 1.00 0.00 C ATOM 0 H THR A 52 -2.955 10.926 -29.108 1.00 0.00 H new ATOM 0 HA THR A 52 -1.896 11.596 -26.457 1.00 0.00 H new ATOM 0 HB THR A 52 -0.661 10.593 -29.013 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.366 8.646 -27.702 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.386 10.128 -27.705 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.011 11.866 -27.792 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.657 10.953 -26.306 1.00 0.00 H new ATOM 867 N GLU A 53 -1.468 13.972 -27.039 1.00 0.00 N ATOM 868 CA GLU A 53 -1.041 15.341 -27.291 1.00 0.00 C ATOM 869 C GLU A 53 0.339 15.582 -26.697 1.00 0.00 C ATOM 870 O GLU A 53 0.701 14.991 -25.679 1.00 0.00 O ATOM 871 CB GLU A 53 -2.044 16.333 -26.707 1.00 0.00 C ATOM 872 CG GLU A 53 -3.352 16.399 -27.476 1.00 0.00 C ATOM 873 CD GLU A 53 -3.570 17.743 -28.142 1.00 0.00 C ATOM 874 OE1 GLU A 53 -3.735 18.746 -27.416 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.572 17.793 -29.390 1.00 0.00 O ATOM 0 H GLU A 53 -1.923 13.830 -26.137 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.992 15.492 -28.369 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.254 16.059 -25.673 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.593 17.325 -26.689 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.363 15.616 -28.234 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.179 16.196 -26.796 1.00 0.00 H new ATOM 882 N THR A 54 1.108 16.448 -27.340 1.00 0.00 N ATOM 883 CA THR A 54 2.451 16.760 -26.880 1.00 0.00 C ATOM 884 C THR A 54 2.580 18.242 -26.546 1.00 0.00 C ATOM 885 O THR A 54 2.995 19.044 -27.383 1.00 0.00 O ATOM 886 CB THR A 54 3.470 16.370 -27.949 1.00 0.00 C ATOM 887 OG1 THR A 54 2.847 16.252 -29.216 1.00 0.00 O ATOM 888 CG2 THR A 54 4.171 15.062 -27.656 1.00 0.00 C ATOM 0 H THR A 54 0.824 16.947 -28.183 1.00 0.00 H new ATOM 0 HA THR A 54 2.647 16.189 -25.973 1.00 0.00 H new ATOM 0 HB THR A 54 4.212 17.169 -27.948 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.516 16.003 -29.888 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.881 14.843 -28.453 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.703 15.139 -26.708 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.435 14.260 -27.596 1.00 0.00 H new ATOM 896 N LEU A 55 2.221 18.598 -25.318 1.00 0.00 N ATOM 897 CA LEU A 55 2.296 19.982 -24.871 1.00 0.00 C ATOM 898 C LEU A 55 3.718 20.339 -24.446 1.00 0.00 C ATOM 899 O LEU A 55 4.293 19.696 -23.567 1.00 0.00 O ATOM 900 CB LEU A 55 1.324 20.215 -23.711 1.00 0.00 C ATOM 901 CG LEU A 55 -0.119 20.512 -24.126 1.00 0.00 C ATOM 902 CD1 LEU A 55 -1.052 19.414 -23.638 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.561 21.865 -23.590 1.00 0.00 C ATOM 0 H LEU A 55 1.875 17.946 -24.614 1.00 0.00 H new ATOM 0 HA LEU A 55 2.016 20.627 -25.704 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.328 19.333 -23.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.692 21.047 -23.110 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.164 20.542 -25.215 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.073 19.642 -23.942 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.749 18.460 -24.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.003 19.351 -22.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.589 22.059 -23.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.500 21.863 -22.502 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.089 22.644 -23.989 1.00 0.00 H new ATOM 915 N GLN A 56 4.281 21.364 -25.079 1.00 0.00 N ATOM 916 CA GLN A 56 5.638 21.801 -24.770 1.00 0.00 C ATOM 917 C GLN A 56 5.633 22.890 -23.699 1.00 0.00 C ATOM 918 O GLN A 56 5.217 24.021 -23.948 1.00 0.00 O ATOM 919 CB GLN A 56 6.329 22.316 -26.035 1.00 0.00 C ATOM 920 CG GLN A 56 7.683 21.673 -26.294 1.00 0.00 C ATOM 921 CD GLN A 56 7.596 20.478 -27.225 1.00 0.00 C ATOM 922 OE1 GLN A 56 6.542 20.196 -27.794 1.00 0.00 O ATOM 923 NE2 GLN A 56 8.708 19.768 -27.381 1.00 0.00 N ATOM 0 H GLN A 56 3.819 21.907 -25.808 1.00 0.00 H new ATOM 0 HA GLN A 56 6.189 20.943 -24.384 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.680 22.135 -26.892 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.458 23.395 -25.955 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.356 22.415 -26.724 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.118 21.358 -25.346 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.559 20.039 -26.889 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.710 18.952 -27.993 1.00 0.00 H new ATOM 932 N ASN A 57 6.102 22.537 -22.505 1.00 0.00 N ATOM 933 CA ASN A 57 6.156 23.480 -21.392 1.00 0.00 C ATOM 934 C ASN A 57 4.779 24.069 -21.108 1.00 0.00 C ATOM 935 O ASN A 57 4.638 25.276 -20.914 1.00 0.00 O ATOM 936 CB ASN A 57 7.148 24.604 -21.696 1.00 0.00 C ATOM 937 CG ASN A 57 8.505 24.082 -22.126 1.00 0.00 C ATOM 938 OD1 ASN A 57 9.405 23.908 -21.304 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.656 23.827 -23.421 1.00 0.00 N ATOM 0 H ASN A 57 6.450 21.604 -22.284 1.00 0.00 H new ATOM 0 HA ASN A 57 6.489 22.937 -20.507 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.741 25.240 -22.482 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.267 25.228 -20.811 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.546 23.472 -23.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.882 23.986 -24.066 1.00 0.00 H new ATOM 946 N ALA A 58 3.766 23.210 -21.084 1.00 0.00 N ATOM 947 CA ALA A 58 2.400 23.645 -20.823 1.00 0.00 C ATOM 948 C ALA A 58 1.926 23.172 -19.456 1.00 0.00 C ATOM 949 O ALA A 58 2.592 22.369 -18.800 1.00 0.00 O ATOM 950 CB ALA A 58 1.470 23.137 -21.911 1.00 0.00 C ATOM 0 H ALA A 58 3.866 22.207 -21.242 1.00 0.00 H new ATOM 0 HA ALA A 58 2.384 24.735 -20.826 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.453 23.469 -21.704 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.791 23.529 -22.876 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.499 22.048 -21.935 1.00 0.00 H new ATOM 956 N HIS A 59 0.775 23.677 -19.027 1.00 0.00 N ATOM 957 CA HIS A 59 0.218 23.306 -17.734 1.00 0.00 C ATOM 958 C HIS A 59 -1.283 23.054 -17.830 1.00 0.00 C ATOM 959 O HIS A 59 -1.991 23.111 -16.825 1.00 0.00 O ATOM 960 CB HIS A 59 0.500 24.399 -16.703 1.00 0.00 C ATOM 961 CG HIS A 59 1.711 24.128 -15.864 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.339 25.097 -15.111 1.00 0.00 N ATOM 963 CD2 HIS A 59 2.408 22.985 -15.661 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.371 24.563 -14.482 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.435 23.282 -14.799 1.00 0.00 N ATOM 0 H HIS A 59 0.211 24.343 -19.555 1.00 0.00 H new ATOM 0 HA HIS A 59 0.698 22.381 -17.416 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.630 25.350 -17.219 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.367 24.506 -16.052 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.196 22.020 -16.096 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.047 25.085 -13.821 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.134 22.621 -14.459 1.00 0.00 H new ATOM 974 N SER A 60 -1.767 22.772 -19.038 1.00 0.00 N ATOM 975 CA SER A 60 -3.191 22.514 -19.231 1.00 0.00 C ATOM 976 C SER A 60 -3.535 22.246 -20.694 1.00 0.00 C ATOM 977 O SER A 60 -2.772 22.582 -21.601 1.00 0.00 O ATOM 978 CB SER A 60 -4.011 23.697 -18.722 1.00 0.00 C ATOM 979 OG SER A 60 -3.423 24.928 -19.104 1.00 0.00 O ATOM 0 H SER A 60 -1.203 22.717 -19.886 1.00 0.00 H new ATOM 0 HA SER A 60 -3.437 21.618 -18.662 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.025 23.637 -19.117 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.088 23.649 -17.636 1.00 0.00 H new ATOM 0 HG SER A 60 -3.968 25.669 -18.767 1.00 0.00 H new ATOM 985 N MET A 61 -4.706 21.651 -20.906 1.00 0.00 N ATOM 986 CA MET A 61 -5.190 21.340 -22.246 1.00 0.00 C ATOM 987 C MET A 61 -6.627 21.822 -22.408 1.00 0.00 C ATOM 988 O MET A 61 -7.288 22.159 -21.426 1.00 0.00 O ATOM 989 CB MET A 61 -5.122 19.834 -22.511 1.00 0.00 C ATOM 990 CG MET A 61 -5.116 19.477 -23.988 1.00 0.00 C ATOM 991 SD MET A 61 -4.810 17.723 -24.276 1.00 0.00 S ATOM 992 CE MET A 61 -6.202 17.302 -25.321 1.00 0.00 C ATOM 0 H MET A 61 -5.342 21.373 -20.158 1.00 0.00 H new ATOM 0 HA MET A 61 -4.552 21.852 -22.966 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.223 19.432 -22.045 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.973 19.350 -22.032 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.074 19.752 -24.428 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.351 20.064 -24.497 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.631 16.356 -24.991 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.957 18.086 -25.255 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.866 17.208 -26.354 1.00 0.00 H new ATOM 1002 N ALA A 62 -7.110 21.854 -23.643 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.470 22.298 -23.907 1.00 0.00 C ATOM 1004 C ALA A 62 -9.385 21.141 -24.314 1.00 0.00 C ATOM 1005 O ALA A 62 -10.548 21.362 -24.654 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.471 23.378 -24.980 1.00 0.00 C ATOM 0 H ALA A 62 -6.583 21.579 -24.472 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.865 22.712 -22.979 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.494 23.702 -25.169 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.878 24.228 -24.642 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.042 22.978 -25.899 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.856 19.909 -24.268 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.613 18.700 -24.628 1.00 0.00 C ATOM 1014 C LEU A 63 -10.655 18.974 -25.716 1.00 0.00 C ATOM 1015 O LEU A 63 -11.820 19.236 -25.419 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.293 18.115 -23.391 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.341 17.534 -22.345 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.074 17.269 -21.039 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.695 16.259 -22.863 1.00 0.00 C ATOM 0 H LEU A 63 -7.895 19.723 -23.981 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.900 17.979 -25.029 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.893 18.895 -22.921 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.981 17.332 -23.709 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.556 18.265 -22.153 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.378 16.856 -20.309 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.488 18.203 -20.658 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.882 16.558 -21.213 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.021 15.859 -22.106 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.468 15.524 -23.085 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.132 16.479 -23.770 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.237 18.939 -26.990 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.117 19.205 -28.122 1.00 0.00 C ATOM 1033 C PRO A 64 -11.797 17.953 -28.673 1.00 0.00 C ATOM 1034 O PRO A 64 -13.005 17.946 -28.905 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.148 19.779 -29.150 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.854 19.076 -28.886 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.860 18.663 -27.430 1.00 0.00 C ATOM 0 HA PRO A 64 -11.946 19.859 -27.852 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.497 19.598 -30.167 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.043 20.858 -29.036 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.750 18.205 -29.533 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.009 19.732 -29.097 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.607 17.609 -27.312 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.134 19.232 -26.850 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.014 16.903 -28.900 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.546 15.659 -29.448 1.00 0.00 C ATOM 1047 C ALA A 65 -12.003 14.699 -28.354 1.00 0.00 C ATOM 1048 O ALA A 65 -11.261 13.804 -27.951 1.00 0.00 O ATOM 1049 CB ALA A 65 -10.504 14.990 -30.332 1.00 0.00 C ATOM 0 H ALA A 65 -10.011 16.888 -28.714 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.422 15.912 -30.045 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.911 14.063 -30.736 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.240 15.658 -31.152 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.614 14.769 -29.742 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.238 14.875 -27.891 1.00 0.00 N ATOM 1056 CA LEU A 66 -13.798 14.007 -26.862 1.00 0.00 C ATOM 1057 C LEU A 66 -15.134 13.427 -27.322 1.00 0.00 C ATOM 1058 O LEU A 66 -15.472 13.491 -28.504 1.00 0.00 O ATOM 1059 CB LEU A 66 -13.980 14.766 -25.544 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.755 15.548 -25.053 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.904 15.886 -23.577 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.474 14.760 -25.289 1.00 0.00 C ATOM 0 H LEU A 66 -13.868 15.610 -28.212 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.097 13.189 -26.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.811 15.462 -25.659 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.266 14.052 -24.771 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.692 16.475 -25.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.028 16.441 -23.241 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.797 16.494 -23.431 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.994 14.965 -23.000 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.621 15.337 -24.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.524 13.814 -24.749 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.359 14.564 -26.355 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.893 12.861 -26.387 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.186 12.276 -26.707 1.00 0.00 C ATOM 1076 C GLU A 67 -18.203 12.574 -25.602 1.00 0.00 C ATOM 1077 O GLU A 67 -17.931 12.348 -24.423 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.043 10.763 -26.899 1.00 0.00 C ATOM 1079 CG GLU A 67 -18.368 10.028 -26.985 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.197 8.528 -27.118 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.198 7.995 -26.589 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.062 7.885 -27.750 1.00 0.00 O ATOM 0 H GLU A 67 -15.632 12.797 -25.403 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.547 12.720 -27.635 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.474 10.574 -27.809 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.465 10.354 -26.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.958 10.245 -26.094 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.932 10.403 -27.839 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.394 13.087 -25.967 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.444 13.410 -24.995 1.00 0.00 C ATOM 1091 C PRO A 68 -20.995 12.164 -24.309 1.00 0.00 C ATOM 1092 O PRO A 68 -21.161 11.120 -24.939 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.530 14.079 -25.841 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.292 13.590 -27.227 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.808 13.388 -27.348 1.00 0.00 C ATOM 0 HA PRO A 68 -20.070 14.042 -24.189 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.526 13.807 -25.492 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.459 15.165 -25.788 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.828 12.659 -27.409 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.648 14.312 -27.962 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.567 12.570 -28.027 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.311 14.279 -27.732 1.00 0.00 H new ATOM 1103 N SER A 69 -21.273 12.279 -23.014 1.00 0.00 N ATOM 1104 CA SER A 69 -21.801 11.156 -22.248 1.00 0.00 C ATOM 1105 C SER A 69 -20.821 9.989 -22.257 1.00 0.00 C ATOM 1106 O SER A 69 -21.139 8.902 -22.738 1.00 0.00 O ATOM 1107 CB SER A 69 -23.148 10.709 -22.821 1.00 0.00 C ATOM 1108 OG SER A 69 -24.224 11.338 -22.148 1.00 0.00 O ATOM 0 H SER A 69 -21.142 13.135 -22.475 1.00 0.00 H new ATOM 0 HA SER A 69 -21.943 11.483 -21.218 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.191 10.947 -23.884 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.243 9.627 -22.733 1.00 0.00 H new ATOM 0 HG SER A 69 -25.073 11.036 -22.534 1.00 0.00 H new ATOM 1114 N THR A 70 -19.624 10.224 -21.730 1.00 0.00 N ATOM 1115 CA THR A 70 -18.595 9.193 -21.683 1.00 0.00 C ATOM 1116 C THR A 70 -17.544 9.524 -20.628 1.00 0.00 C ATOM 1117 O THR A 70 -17.121 10.673 -20.496 1.00 0.00 O ATOM 1118 CB THR A 70 -17.932 9.051 -23.056 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.898 8.760 -24.050 1.00 0.00 O ATOM 1120 CG2 THR A 70 -16.879 7.966 -23.108 1.00 0.00 C ATOM 0 H THR A 70 -19.343 11.119 -21.330 1.00 0.00 H new ATOM 0 HA THR A 70 -19.067 8.248 -21.413 1.00 0.00 H new ATOM 0 HB THR A 70 -17.448 10.010 -23.241 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.727 8.458 -23.623 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.452 7.921 -24.110 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.092 8.188 -22.387 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.334 7.006 -22.865 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.124 8.508 -19.881 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.118 8.691 -18.841 1.00 0.00 C ATOM 1130 C ARG A 71 -14.725 8.735 -19.456 1.00 0.00 C ATOM 1131 O ARG A 71 -14.147 7.701 -19.778 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.201 7.558 -17.817 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.439 8.035 -16.394 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.090 6.956 -15.384 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.633 5.655 -15.769 1.00 0.00 N ATOM 1136 CZ ARG A 71 -17.830 5.205 -15.394 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -18.629 5.955 -14.645 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -18.234 4.003 -15.780 1.00 0.00 N ATOM 0 H ARG A 71 -17.464 7.551 -19.976 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.311 9.637 -18.336 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.006 6.881 -18.103 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.275 6.984 -17.848 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.839 8.924 -16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.483 8.323 -16.275 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.007 6.884 -15.289 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.478 7.236 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.060 5.054 -16.362 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.329 6.885 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.543 5.602 -14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.629 3.424 -16.363 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.150 3.657 -15.494 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.201 9.938 -19.632 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.883 10.116 -20.229 1.00 0.00 C ATOM 1154 C TYR A 72 -11.767 9.971 -19.200 1.00 0.00 C ATOM 1155 O TYR A 72 -11.708 10.712 -18.218 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.789 11.477 -20.919 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.838 11.379 -22.426 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.049 11.245 -23.090 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.673 11.404 -23.182 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.099 11.139 -24.466 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -11.716 11.296 -24.560 1.00 0.00 C ATOM 1162 CZ TYR A 72 -12.931 11.164 -25.197 1.00 0.00 C ATOM 1163 OH TYR A 72 -12.977 11.047 -26.567 1.00 0.00 O ATOM 0 H TYR A 72 -14.667 10.807 -19.370 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.753 9.328 -20.970 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.607 12.110 -20.575 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.861 11.966 -20.622 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.967 11.223 -22.522 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.719 11.509 -22.686 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.050 11.037 -24.967 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.802 11.315 -25.134 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.067 11.085 -26.929 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.872 9.019 -19.448 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.738 8.774 -18.564 1.00 0.00 C ATOM 1175 C TRP A 73 -8.461 9.311 -19.197 1.00 0.00 C ATOM 1176 O TRP A 73 -8.029 8.827 -20.243 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.590 7.278 -18.281 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.720 6.707 -17.484 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -12.012 6.550 -17.891 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.658 6.212 -16.142 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.760 5.992 -16.882 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.951 5.773 -15.798 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.634 6.097 -15.196 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.245 5.230 -14.551 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.928 5.557 -13.959 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.224 5.129 -13.646 1.00 0.00 C ATOM 0 H TRP A 73 -10.911 8.402 -20.259 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.916 9.290 -17.620 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.517 6.743 -19.228 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.656 7.108 -17.746 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.392 6.824 -18.864 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.756 5.776 -16.932 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.631 6.425 -15.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.244 4.900 -14.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.145 5.463 -13.221 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.422 4.711 -12.670 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.868 10.322 -18.574 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.652 10.919 -19.106 1.00 0.00 C ATOM 1199 C ALA A 74 -5.467 10.748 -18.166 1.00 0.00 C ATOM 1200 O ALA A 74 -5.626 10.419 -16.990 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.879 12.393 -19.407 1.00 0.00 C ATOM 0 H ALA A 74 -8.206 10.742 -17.708 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.409 10.394 -20.030 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.962 12.829 -19.804 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.678 12.496 -20.142 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.160 12.912 -18.491 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.278 10.984 -18.707 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.039 10.875 -17.951 1.00 0.00 C ATOM 1209 C ARG A 75 -1.984 11.777 -18.579 1.00 0.00 C ATOM 1210 O ARG A 75 -2.249 12.430 -19.588 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.551 9.425 -17.927 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.735 8.698 -19.249 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.094 7.318 -19.225 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.994 6.298 -18.695 1.00 0.00 N ATOM 1215 CZ ARG A 75 -3.127 6.026 -17.399 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.429 6.702 -16.496 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.956 5.070 -17.002 1.00 0.00 N ATOM 0 H ARG A 75 -4.147 11.256 -19.681 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.219 11.190 -16.923 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.495 9.411 -17.658 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.086 8.883 -17.147 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.799 8.602 -19.467 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.297 9.289 -20.054 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.791 7.043 -20.235 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.189 7.351 -18.619 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.554 5.762 -19.358 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.786 7.435 -16.793 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.536 6.488 -15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.493 4.542 -17.690 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.057 4.863 -16.008 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.795 11.827 -17.992 1.00 0.00 N ATOM 1232 CA VAL A 76 0.257 12.673 -18.533 1.00 0.00 C ATOM 1233 C VAL A 76 1.642 12.254 -18.053 1.00 0.00 C ATOM 1234 O VAL A 76 1.864 12.036 -16.862 1.00 0.00 O ATOM 1235 CB VAL A 76 0.022 14.153 -18.171 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.197 14.382 -16.676 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.953 15.051 -18.967 1.00 0.00 C ATOM 0 H VAL A 76 -0.539 11.301 -17.156 1.00 0.00 H new ATOM 0 HA VAL A 76 0.219 12.551 -19.616 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.005 14.408 -18.431 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.026 15.434 -16.447 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.519 13.770 -16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.210 14.107 -16.382 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.773 16.092 -18.698 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.988 14.792 -18.743 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.768 14.914 -20.032 1.00 0.00 H new ATOM 1247 N ARG A 77 2.574 12.163 -18.996 1.00 0.00 N ATOM 1248 CA ARG A 77 3.952 11.797 -18.689 1.00 0.00 C ATOM 1249 C ARG A 77 4.848 13.023 -18.834 1.00 0.00 C ATOM 1250 O ARG A 77 4.877 13.652 -19.893 1.00 0.00 O ATOM 1251 CB ARG A 77 4.437 10.679 -19.617 1.00 0.00 C ATOM 1252 CG ARG A 77 3.329 9.762 -20.111 1.00 0.00 C ATOM 1253 CD ARG A 77 3.781 8.925 -21.296 1.00 0.00 C ATOM 1254 NE ARG A 77 4.149 7.571 -20.897 1.00 0.00 N ATOM 1255 CZ ARG A 77 4.408 6.593 -21.759 1.00 0.00 C ATOM 1256 NH1 ARG A 77 4.331 6.819 -23.063 1.00 0.00 N ATOM 1257 NH2 ARG A 77 4.742 5.390 -21.315 1.00 0.00 N ATOM 0 H ARG A 77 2.398 12.339 -19.985 1.00 0.00 H new ATOM 0 HA ARG A 77 3.998 11.431 -17.663 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.936 11.125 -20.477 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.182 10.082 -19.091 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.012 9.105 -19.301 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.462 10.359 -20.396 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.981 8.881 -22.035 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.633 9.406 -21.776 1.00 0.00 H new ATOM 0 HE ARG A 77 4.211 7.363 -19.900 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.073 7.744 -23.406 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.530 6.068 -23.723 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.800 5.215 -20.312 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.941 4.639 -21.976 1.00 0.00 H new ATOM 1271 N VAL A 78 5.564 13.379 -17.773 1.00 0.00 N ATOM 1272 CA VAL A 78 6.431 14.551 -17.812 1.00 0.00 C ATOM 1273 C VAL A 78 7.903 14.179 -17.932 1.00 0.00 C ATOM 1274 O VAL A 78 8.540 13.774 -16.960 1.00 0.00 O ATOM 1275 CB VAL A 78 6.238 15.445 -16.570 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.668 14.713 -15.308 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.006 16.750 -16.726 1.00 0.00 C ATOM 0 H VAL A 78 5.562 12.879 -16.884 1.00 0.00 H new ATOM 0 HA VAL A 78 6.139 15.105 -18.704 1.00 0.00 H new ATOM 0 HB VAL A 78 5.178 15.682 -16.479 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.524 15.362 -14.444 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.068 13.811 -15.189 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.721 14.441 -15.386 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.858 17.368 -15.840 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.068 16.535 -16.845 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.643 17.283 -17.605 1.00 0.00 H new ATOM 1287 N ARG A 79 8.441 14.346 -19.132 1.00 0.00 N ATOM 1288 CA ARG A 79 9.843 14.057 -19.388 1.00 0.00 C ATOM 1289 C ARG A 79 10.693 15.277 -19.058 1.00 0.00 C ATOM 1290 O ARG A 79 10.163 16.358 -18.808 1.00 0.00 O ATOM 1291 CB ARG A 79 10.046 13.664 -20.854 1.00 0.00 C ATOM 1292 CG ARG A 79 9.556 14.713 -21.841 1.00 0.00 C ATOM 1293 CD ARG A 79 10.712 15.482 -22.460 1.00 0.00 C ATOM 1294 NE ARG A 79 10.512 15.721 -23.888 1.00 0.00 N ATOM 1295 CZ ARG A 79 10.570 14.765 -24.810 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.820 13.512 -24.455 1.00 0.00 N ATOM 1297 NH2 ARG A 79 10.380 15.061 -26.088 1.00 0.00 N ATOM 0 H ARG A 79 7.925 14.681 -19.945 1.00 0.00 H new ATOM 0 HA ARG A 79 10.149 13.224 -18.755 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.106 13.481 -21.029 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.525 12.726 -21.045 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.976 14.230 -22.628 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.887 15.407 -21.333 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.828 16.436 -21.946 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.637 14.925 -22.312 1.00 0.00 H new ATOM 0 HE ARG A 79 10.317 16.674 -24.194 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.968 13.280 -23.473 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.864 12.780 -25.164 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.189 16.024 -26.366 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.425 14.326 -26.794 1.00 0.00 H new ATOM 1311 N THR A 80 12.008 15.110 -19.080 1.00 0.00 N ATOM 1312 CA THR A 80 12.916 16.213 -18.803 1.00 0.00 C ATOM 1313 C THR A 80 13.882 16.366 -19.961 1.00 0.00 C ATOM 1314 O THR A 80 14.981 15.809 -19.958 1.00 0.00 O ATOM 1315 CB THR A 80 13.669 16.022 -17.473 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.041 16.358 -17.604 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.599 14.615 -16.915 1.00 0.00 C ATOM 0 H THR A 80 12.469 14.224 -19.286 1.00 0.00 H new ATOM 0 HA THR A 80 12.329 17.125 -18.697 1.00 0.00 H new ATOM 0 HB THR A 80 13.159 16.692 -16.780 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.456 15.782 -18.279 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.154 14.567 -15.978 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.558 14.347 -16.734 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.034 13.918 -17.631 1.00 0.00 H new ATOM 1325 N SER A 81 13.446 17.110 -20.959 1.00 0.00 N ATOM 1326 CA SER A 81 14.244 17.335 -22.148 1.00 0.00 C ATOM 1327 C SER A 81 15.640 17.827 -21.788 1.00 0.00 C ATOM 1328 O SER A 81 16.578 17.674 -22.568 1.00 0.00 O ATOM 1329 CB SER A 81 13.556 18.343 -23.067 1.00 0.00 C ATOM 1330 OG SER A 81 12.148 18.289 -22.918 1.00 0.00 O ATOM 0 H SER A 81 12.537 17.572 -20.969 1.00 0.00 H new ATOM 0 HA SER A 81 14.341 16.384 -22.671 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.911 19.348 -22.840 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.824 18.137 -24.103 1.00 0.00 H new ATOM 0 HG SER A 81 11.789 19.200 -22.865 1.00 0.00 H new ATOM 1336 N ARG A 82 15.770 18.427 -20.604 1.00 0.00 N ATOM 1337 CA ARG A 82 17.052 18.952 -20.145 1.00 0.00 C ATOM 1338 C ARG A 82 17.736 19.747 -21.260 1.00 0.00 C ATOM 1339 O ARG A 82 17.473 20.936 -21.425 1.00 0.00 O ATOM 1340 CB ARG A 82 17.950 17.812 -19.651 1.00 0.00 C ATOM 1341 CG ARG A 82 19.373 18.246 -19.338 1.00 0.00 C ATOM 1342 CD ARG A 82 20.103 17.206 -18.501 1.00 0.00 C ATOM 1343 NE ARG A 82 19.633 17.184 -17.118 1.00 0.00 N ATOM 1344 CZ ARG A 82 20.080 16.330 -16.202 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.001 15.431 -16.523 1.00 0.00 N ATOM 1346 NH2 ARG A 82 19.606 16.372 -14.964 1.00 0.00 N ATOM 0 H ARG A 82 15.001 18.560 -19.947 1.00 0.00 H new ATOM 0 HA ARG A 82 16.873 19.629 -19.310 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.508 17.375 -18.756 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.977 17.028 -20.408 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.916 18.412 -20.268 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.355 19.196 -18.805 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.964 16.221 -18.946 1.00 0.00 H new ATOM 0 HD3 ARG A 82 21.173 17.415 -18.516 1.00 0.00 H new ATOM 0 HE ARG A 82 18.923 17.861 -16.840 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.368 15.394 -17.474 1.00 0.00 H new ATOM 0 HH12 ARG A 82 21.342 14.777 -15.819 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.897 17.061 -14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.951 15.716 -14.263 1.00 0.00 H new ATOM 1360 N THR A 83 18.587 19.074 -22.032 1.00 0.00 N ATOM 1361 CA THR A 83 19.294 19.697 -23.144 1.00 0.00 C ATOM 1362 C THR A 83 19.924 18.613 -24.005 1.00 0.00 C ATOM 1363 O THR A 83 19.842 18.645 -25.233 1.00 0.00 O ATOM 1364 CB THR A 83 20.361 20.662 -22.630 1.00 0.00 C ATOM 1365 OG1 THR A 83 21.113 20.072 -21.584 1.00 0.00 O ATOM 1366 CG2 THR A 83 19.784 21.960 -22.110 1.00 0.00 C ATOM 0 H THR A 83 18.804 18.086 -21.903 1.00 0.00 H new ATOM 0 HA THR A 83 18.587 20.270 -23.745 1.00 0.00 H new ATOM 0 HB THR A 83 20.994 20.881 -23.490 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.791 20.706 -21.271 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.592 22.603 -21.759 1.00 0.00 H new ATOM 0 HG22 THR A 83 19.241 22.463 -22.910 1.00 0.00 H new ATOM 0 HG23 THR A 83 19.103 21.751 -21.285 1.00 0.00 H new ATOM 1374 N GLY A 84 20.527 17.636 -23.338 1.00 0.00 N ATOM 1375 CA GLY A 84 21.139 16.520 -24.028 1.00 0.00 C ATOM 1376 C GLY A 84 20.522 15.198 -23.602 1.00 0.00 C ATOM 1377 O GLY A 84 21.080 14.130 -23.860 1.00 0.00 O ATOM 0 H GLY A 84 20.602 17.599 -22.321 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.022 16.648 -25.104 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.209 16.506 -23.823 1.00 0.00 H new ATOM 1381 N TYR A 85 19.364 15.274 -22.941 1.00 0.00 N ATOM 1382 CA TYR A 85 18.662 14.084 -22.467 1.00 0.00 C ATOM 1383 C TYR A 85 18.462 13.074 -23.597 1.00 0.00 C ATOM 1384 O TYR A 85 18.653 13.399 -24.768 1.00 0.00 O ATOM 1385 CB TYR A 85 17.307 14.484 -21.857 1.00 0.00 C ATOM 1386 CG TYR A 85 16.178 14.587 -22.866 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.380 15.200 -24.096 1.00 0.00 C ATOM 1388 CD2 TYR A 85 14.920 14.062 -22.593 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.362 15.290 -25.025 1.00 0.00 C ATOM 1390 CE2 TYR A 85 13.896 14.147 -23.518 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.122 14.762 -24.732 1.00 0.00 C ATOM 1392 OH TYR A 85 13.102 14.847 -25.655 1.00 0.00 O ATOM 0 H TYR A 85 18.893 16.152 -22.722 1.00 0.00 H new ATOM 0 HA TYR A 85 19.272 13.608 -21.700 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.034 13.753 -21.096 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.417 15.444 -21.352 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.350 15.613 -24.330 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.740 13.580 -21.643 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.536 15.771 -25.976 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.924 13.734 -23.291 1.00 0.00 H new ATOM 0 HH TYR A 85 12.835 13.946 -25.932 1.00 0.00 H new ATOM 1402 N ASN A 86 18.053 11.856 -23.232 1.00 0.00 N ATOM 1403 CA ASN A 86 17.795 10.788 -24.203 1.00 0.00 C ATOM 1404 C ASN A 86 17.807 9.420 -23.529 1.00 0.00 C ATOM 1405 O ASN A 86 18.559 9.187 -22.583 1.00 0.00 O ATOM 1406 CB ASN A 86 18.811 10.816 -25.350 1.00 0.00 C ATOM 1407 CG ASN A 86 18.191 11.314 -26.642 1.00 0.00 C ATOM 1408 OD1 ASN A 86 18.544 10.859 -27.730 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.259 12.258 -26.526 1.00 0.00 N ATOM 0 H ASN A 86 17.892 11.583 -22.262 1.00 0.00 H new ATOM 0 HA ASN A 86 16.803 10.964 -24.620 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.648 11.458 -25.078 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.214 9.815 -25.503 1.00 0.00 H new ATOM 0 HD21 ASN A 86 16.807 12.633 -27.360 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.998 12.606 -25.604 1.00 0.00 H new ATOM 1416 N GLY A 87 16.960 8.521 -24.022 1.00 0.00 N ATOM 1417 CA GLY A 87 16.875 7.188 -23.455 1.00 0.00 C ATOM 1418 C GLY A 87 16.117 7.176 -22.144 1.00 0.00 C ATOM 1419 O GLY A 87 16.443 6.412 -21.235 1.00 0.00 O ATOM 0 H GLY A 87 16.330 8.693 -24.806 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.383 6.523 -24.165 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.880 6.797 -23.296 1.00 0.00 H new ATOM 1423 N ILE A 88 15.108 8.036 -22.042 1.00 0.00 N ATOM 1424 CA ILE A 88 14.308 8.133 -20.830 1.00 0.00 C ATOM 1425 C ILE A 88 12.903 8.626 -21.124 1.00 0.00 C ATOM 1426 O ILE A 88 12.520 8.752 -22.276 1.00 0.00 O ATOM 1427 CB ILE A 88 14.970 9.080 -19.806 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.751 10.544 -20.215 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.455 8.774 -19.685 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.200 10.847 -21.631 1.00 0.00 C ATOM 0 H ILE A 88 14.827 8.675 -22.785 1.00 0.00 H new ATOM 0 HA ILE A 88 14.247 7.128 -20.411 1.00 0.00 H new ATOM 0 HB ILE A 88 14.506 8.921 -18.832 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.693 10.786 -20.118 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.291 11.191 -19.524 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.908 9.450 -18.959 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.588 7.744 -19.354 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.934 8.909 -20.655 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.016 11.898 -21.854 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.265 10.636 -21.728 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.642 10.225 -22.331 1.00 0.00 H new ATOM 1442 N TRP A 89 12.156 8.918 -20.058 1.00 0.00 N ATOM 1443 CA TRP A 89 10.784 9.419 -20.163 1.00 0.00 C ATOM 1444 C TRP A 89 10.018 9.153 -18.871 1.00 0.00 C ATOM 1445 O TRP A 89 10.317 8.203 -18.148 1.00 0.00 O ATOM 1446 CB TRP A 89 10.037 8.766 -21.329 1.00 0.00 C ATOM 1447 CG TRP A 89 9.794 9.689 -22.484 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.478 9.714 -23.663 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.794 10.713 -22.574 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.971 10.695 -24.482 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.935 11.321 -23.836 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.794 11.177 -21.712 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.116 12.366 -24.256 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.982 12.214 -22.131 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.147 12.797 -23.393 1.00 0.00 C ATOM 0 H TRP A 89 12.485 8.814 -19.098 1.00 0.00 H new ATOM 0 HA TRP A 89 10.845 10.493 -20.342 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.608 7.905 -21.678 1.00 0.00 H new ATOM 0 HB3 TRP A 89 9.080 8.389 -20.969 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.298 9.059 -23.917 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.310 10.921 -25.417 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.659 10.733 -20.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.242 12.820 -25.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.207 12.581 -21.474 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.495 13.605 -23.691 1.00 0.00 H new ATOM 1466 N SER A 90 9.022 9.987 -18.592 1.00 0.00 N ATOM 1467 CA SER A 90 8.210 9.827 -17.392 1.00 0.00 C ATOM 1468 C SER A 90 7.295 8.612 -17.528 1.00 0.00 C ATOM 1469 O SER A 90 6.780 8.330 -18.608 1.00 0.00 O ATOM 1470 CB SER A 90 7.382 11.090 -17.133 1.00 0.00 C ATOM 1471 OG SER A 90 6.138 10.780 -16.527 1.00 0.00 O ATOM 0 H SER A 90 8.758 10.778 -19.179 1.00 0.00 H new ATOM 0 HA SER A 90 8.875 9.669 -16.543 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.942 11.768 -16.490 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.210 11.613 -18.074 1.00 0.00 H new ATOM 0 HG SER A 90 6.015 11.336 -15.729 1.00 0.00 H new ATOM 1477 N GLU A 91 7.101 7.897 -16.425 1.00 0.00 N ATOM 1478 CA GLU A 91 6.252 6.712 -16.426 1.00 0.00 C ATOM 1479 C GLU A 91 4.822 7.061 -16.829 1.00 0.00 C ATOM 1480 O GLU A 91 4.425 6.864 -17.978 1.00 0.00 O ATOM 1481 CB GLU A 91 6.260 6.052 -15.046 1.00 0.00 C ATOM 1482 CG GLU A 91 7.134 4.811 -14.972 1.00 0.00 C ATOM 1483 CD GLU A 91 8.495 5.018 -15.607 1.00 0.00 C ATOM 1484 OE1 GLU A 91 9.403 5.525 -14.914 1.00 0.00 O ATOM 1485 OE2 GLU A 91 8.653 4.676 -16.797 1.00 0.00 O ATOM 0 H GLU A 91 7.519 8.117 -15.521 1.00 0.00 H new ATOM 0 HA GLU A 91 6.653 6.012 -17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.607 6.775 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.239 5.784 -14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.264 4.524 -13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.627 3.984 -15.469 1.00 0.00 H new ATOM 1492 N TRP A 92 4.053 7.578 -15.876 1.00 0.00 N ATOM 1493 CA TRP A 92 2.667 7.951 -16.130 1.00 0.00 C ATOM 1494 C TRP A 92 2.035 8.569 -14.886 1.00 0.00 C ATOM 1495 O TRP A 92 2.150 8.028 -13.786 1.00 0.00 O ATOM 1496 CB TRP A 92 1.861 6.727 -16.570 1.00 0.00 C ATOM 1497 CG TRP A 92 1.728 6.599 -18.057 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.089 5.528 -18.822 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.194 7.576 -18.960 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.811 5.776 -20.145 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.260 7.026 -20.255 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.664 8.860 -18.801 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.819 7.716 -21.381 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.225 9.543 -19.919 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.304 8.970 -21.195 1.00 0.00 C ATOM 0 H TRP A 92 4.367 7.748 -14.921 1.00 0.00 H new ATOM 0 HA TRP A 92 2.656 8.692 -16.929 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.337 5.829 -16.178 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.866 6.779 -16.128 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.529 4.618 -18.443 1.00 0.00 H new ATOM 0 HE1 TRP A 92 1.986 5.135 -20.918 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.599 9.310 -17.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 0.881 7.277 -22.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.186 10.535 -19.807 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.049 9.529 -22.049 1.00 0.00 H new ATOM 1516 N SER A 93 1.366 9.704 -15.067 1.00 0.00 N ATOM 1517 CA SER A 93 0.717 10.392 -13.956 1.00 0.00 C ATOM 1518 C SER A 93 -0.528 9.640 -13.499 1.00 0.00 C ATOM 1519 O SER A 93 -0.937 8.659 -14.119 1.00 0.00 O ATOM 1520 CB SER A 93 0.343 11.818 -14.359 1.00 0.00 C ATOM 1521 OG SER A 93 -0.714 11.819 -15.303 1.00 0.00 O ATOM 0 H SER A 93 1.259 10.166 -15.970 1.00 0.00 H new ATOM 0 HA SER A 93 1.423 10.428 -13.126 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.047 12.383 -13.475 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.213 12.320 -14.782 1.00 0.00 H new ATOM 0 HG SER A 93 -1.528 12.165 -14.882 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.125 10.111 -12.410 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.326 9.489 -11.866 1.00 0.00 C ATOM 1529 C GLU A 94 -3.497 9.640 -12.828 1.00 0.00 C ATOM 1530 O GLU A 94 -3.974 10.748 -13.073 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.676 10.112 -10.514 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.901 11.613 -10.578 1.00 0.00 C ATOM 1533 CD GLU A 94 -2.748 12.284 -9.227 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -1.669 12.144 -8.613 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -3.707 12.952 -8.784 1.00 0.00 O ATOM 0 H GLU A 94 -0.796 10.922 -11.886 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.128 8.426 -11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.575 9.634 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.873 9.903 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.193 12.053 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.900 11.811 -10.967 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.958 8.519 -13.371 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.073 8.525 -14.306 1.00 0.00 C ATOM 1544 C ALA A 95 -6.325 9.108 -13.659 1.00 0.00 C ATOM 1545 O ALA A 95 -6.730 8.686 -12.576 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.345 7.118 -14.811 1.00 0.00 C ATOM 0 H ALA A 95 -3.575 7.594 -13.178 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.804 9.157 -15.153 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.182 7.138 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.459 6.735 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.590 6.470 -13.969 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.933 10.080 -14.328 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.139 10.720 -13.817 1.00 0.00 C ATOM 1554 C ARG A 96 -9.315 10.487 -14.759 1.00 0.00 C ATOM 1555 O ARG A 96 -9.154 10.492 -15.980 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.906 12.219 -13.632 1.00 0.00 C ATOM 1557 CG ARG A 96 -7.226 12.573 -12.318 1.00 0.00 C ATOM 1558 CD ARG A 96 -8.186 12.455 -11.145 1.00 0.00 C ATOM 1559 NE ARG A 96 -8.471 13.754 -10.539 1.00 0.00 N ATOM 1560 CZ ARG A 96 -9.537 13.998 -9.785 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -10.415 13.034 -9.541 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -9.727 15.205 -9.272 1.00 0.00 N ATOM 0 H ARG A 96 -6.611 10.442 -15.225 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.377 10.276 -12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.297 12.588 -14.457 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.864 12.736 -13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.373 11.913 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.837 13.590 -12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.117 12.000 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.761 11.790 -10.394 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.814 14.517 -10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.272 12.103 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.233 13.224 -8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.054 15.949 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.546 15.390 -8.693 1.00 0.00 H new ATOM 1576 N SER A 97 -10.496 10.283 -14.186 1.00 0.00 N ATOM 1577 CA SER A 97 -11.698 10.049 -14.979 1.00 0.00 C ATOM 1578 C SER A 97 -12.743 11.125 -14.714 1.00 0.00 C ATOM 1579 O SER A 97 -13.075 11.411 -13.564 1.00 0.00 O ATOM 1580 CB SER A 97 -12.281 8.669 -14.663 1.00 0.00 C ATOM 1581 OG SER A 97 -11.361 7.880 -13.930 1.00 0.00 O ATOM 0 H SER A 97 -10.647 10.275 -13.177 1.00 0.00 H new ATOM 0 HA SER A 97 -11.421 10.088 -16.032 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.202 8.783 -14.092 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.542 8.160 -15.591 1.00 0.00 H new ATOM 0 HG SER A 97 -11.191 7.044 -14.412 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.259 11.717 -15.785 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.271 12.759 -15.667 1.00 0.00 C ATOM 1589 C TRP A 98 -15.401 12.535 -16.670 1.00 0.00 C ATOM 1590 O TRP A 98 -15.244 11.793 -17.640 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.638 14.142 -15.873 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.344 14.467 -17.307 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.163 15.119 -18.184 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.150 14.153 -18.033 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.549 15.229 -19.408 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.313 14.643 -19.338 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.957 13.508 -17.707 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.331 14.504 -20.309 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.982 13.370 -18.674 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.174 13.868 -19.963 1.00 0.00 C ATOM 0 H TRP A 98 -12.993 11.493 -16.744 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.694 12.714 -14.663 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.307 14.901 -15.468 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.712 14.196 -15.301 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.149 15.493 -17.950 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.948 15.674 -20.234 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.798 13.122 -16.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.478 14.887 -21.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.057 12.869 -18.429 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.394 13.748 -20.700 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.538 13.178 -16.429 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.691 13.045 -17.311 1.00 0.00 C ATOM 1613 C ASP A 99 -17.724 14.171 -18.337 1.00 0.00 C ATOM 1614 O ASP A 99 -17.316 15.297 -18.052 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.986 13.046 -16.498 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.213 14.359 -15.776 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -19.665 15.324 -16.427 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -18.935 14.423 -14.560 1.00 0.00 O ATOM 0 H ASP A 99 -16.686 13.796 -15.631 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.602 12.096 -17.840 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.828 12.849 -17.161 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.956 12.235 -15.771 1.00 0.00 H new ATOM 1623 N THR A 100 -18.214 13.860 -19.532 1.00 0.00 N ATOM 1624 CA THR A 100 -18.301 14.847 -20.602 1.00 0.00 C ATOM 1625 C THR A 100 -19.684 15.487 -20.642 1.00 0.00 C ATOM 1626 O THR A 100 -19.831 16.649 -21.018 1.00 0.00 O ATOM 1627 CB THR A 100 -17.988 14.194 -21.949 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.225 12.797 -21.896 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.556 14.400 -22.396 1.00 0.00 C ATOM 0 H THR A 100 -18.557 12.933 -19.784 1.00 0.00 H new ATOM 0 HA THR A 100 -17.567 15.628 -20.404 1.00 0.00 H new ATOM 0 HB THR A 100 -18.649 14.680 -22.666 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.126 12.414 -22.793 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.401 13.912 -23.358 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.355 15.467 -22.494 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.879 13.970 -21.658 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.697 14.720 -20.250 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.069 15.213 -20.243 1.00 0.00 C ATOM 1639 C GLU A 101 -22.580 15.423 -21.664 1.00 0.00 C ATOM 1640 O GLU A 101 -21.801 15.683 -22.580 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.159 16.524 -19.459 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.432 16.489 -18.124 1.00 0.00 C ATOM 1643 CD GLU A 101 -21.953 17.528 -17.151 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -21.812 18.735 -17.440 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -22.504 17.135 -16.101 1.00 0.00 O ATOM 0 H GLU A 101 -20.593 13.756 -19.934 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.694 14.463 -19.758 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.746 17.329 -20.066 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -23.208 16.762 -19.285 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.537 15.498 -17.683 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.367 16.653 -18.290 1.00 0.00 H new ATOM 1652 N SER A 102 -23.891 15.310 -21.839 1.00 0.00 N ATOM 1653 CA SER A 102 -24.505 15.489 -23.151 1.00 0.00 C ATOM 1654 C SER A 102 -25.068 16.898 -23.301 1.00 0.00 C ATOM 1655 O SER A 102 -25.156 17.612 -22.280 1.00 0.00 O ATOM 1656 CB SER A 102 -25.615 14.459 -23.362 1.00 0.00 C ATOM 1657 OG SER A 102 -26.149 14.546 -24.672 1.00 0.00 O ATOM 1658 OXT SER A 102 -25.418 17.276 -24.440 1.00 0.00 O ATOM 0 H SER A 102 -24.550 15.095 -21.090 1.00 0.00 H new ATOM 0 HA SER A 102 -23.734 15.343 -23.908 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.222 13.457 -23.192 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.408 14.619 -22.631 1.00 0.00 H new ATOM 0 HG SER A 102 -26.016 15.452 -25.020 1.00 0.00 H new TER 1664 SER A 102