USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 982 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 59 GLN : amide:sc= 0.569 K(o=1.2,f=-2.4) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 140:sc= 0.628 (180deg=-0.456) USER MOD Set 2.1: A 87 SER OG : rot 62:sc= 1.2 USER MOD Set 2.2: A 98 ASN : amide:sc= -0.301 K(o=0.9,f=-6.4!) USER MOD Set 3.1: A 62 TYR OH : rot 150:sc= -2.08! USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0 X(o=-2.1,f=-1.9) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -1.22 K(o=-1.3,f=0.53) USER MOD Set 4.2: A 33 TYR OH : rot 30:sc= -0.0913 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00961 (180deg=-0.179) USER MOD Single : A 5 SER OG : rot 23:sc= 0.77 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 169:sc= 1.23 USER MOD Single : A 11 GLN : amide:sc= -1.5 K(o=-1.5,f=-2) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 18 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.0549 K(o=0.055,f=-3.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.937 USER MOD Single : A 35 THR OG1 : rot 113:sc= 0.658 USER MOD Single : A 40 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 44 THR OG1 : rot -115:sc= -0.0406 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.224) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0734) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -91:sc= 0.0231 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 86 MET CE :methyl 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 88 GLN : amide:sc= 0.163 K(o=0.16,f=-1.7!) USER MOD Single : A 92 SER OG : rot 72:sc= 1.06 USER MOD Single : A 97 GLN : amide:sc= -2.05! X(o=-2.1!,f=-2) USER MOD Single : A 100 THR OG1 : rot 70:sc= -1.49! USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 113 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.00064) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 115 HIS : no HD1:sc=-0.00146 X(o=-0.0015,f=-0.016) USER MOD Single : A 116 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=-0.34) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.268 30.710 -7.872 1.00 0.00 N ATOM 2 CA MET A 1 -0.073 31.446 -8.350 1.00 0.00 C ATOM 3 C MET A 1 1.024 30.462 -8.724 1.00 0.00 C ATOM 4 O MET A 1 1.614 30.541 -9.805 1.00 0.00 O ATOM 5 CB MET A 1 0.435 32.404 -7.268 1.00 0.00 C ATOM 6 CG MET A 1 -0.611 33.396 -6.794 1.00 0.00 C ATOM 7 SD MET A 1 -1.273 34.397 -8.139 1.00 0.00 S ATOM 8 CE MET A 1 -2.594 35.267 -7.294 1.00 0.00 C ATOM 0 H1 MET A 1 -2.072 31.365 -7.795 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.502 29.953 -8.545 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.070 30.295 -6.939 1.00 0.00 H new ATOM 0 HA MET A 1 -0.351 32.028 -9.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.785 31.822 -6.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.294 32.952 -7.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.426 32.857 -6.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.172 34.050 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.101 35.929 -7.996 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.307 34.546 -6.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.177 35.856 -6.477 1.00 0.00 H new ATOM 20 N ILE A 2 1.297 29.536 -7.819 1.00 0.00 N ATOM 21 CA ILE A 2 2.242 28.465 -8.076 1.00 0.00 C ATOM 22 C ILE A 2 1.591 27.125 -7.751 1.00 0.00 C ATOM 23 O ILE A 2 0.922 26.982 -6.725 1.00 0.00 O ATOM 24 CB ILE A 2 3.548 28.647 -7.265 1.00 0.00 C ATOM 25 CG1 ILE A 2 4.532 27.510 -7.568 1.00 0.00 C ATOM 26 CG2 ILE A 2 3.255 28.731 -5.770 1.00 0.00 C ATOM 27 CD1 ILE A 2 5.866 27.653 -6.866 1.00 0.00 C ATOM 0 H ILE A 2 0.872 29.506 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 2 2.513 28.492 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 2 4.009 29.587 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.079 26.562 -7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.701 27.465 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.189 28.859 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.601 29.581 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.765 27.814 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.508 26.812 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.342 28.583 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.710 27.666 -5.787 1.00 0.00 H new ATOM 39 N GLU A 3 1.745 26.166 -8.653 1.00 0.00 N ATOM 40 CA GLU A 3 1.152 24.847 -8.481 1.00 0.00 C ATOM 41 C GLU A 3 1.658 24.190 -7.201 1.00 0.00 C ATOM 42 O GLU A 3 2.834 24.319 -6.854 1.00 0.00 O ATOM 43 CB GLU A 3 1.460 23.939 -9.680 1.00 0.00 C ATOM 44 CG GLU A 3 0.967 24.471 -11.018 1.00 0.00 C ATOM 45 CD GLU A 3 1.811 25.615 -11.538 1.00 0.00 C ATOM 46 OE1 GLU A 3 2.908 25.353 -12.074 1.00 0.00 O ATOM 47 OE2 GLU A 3 1.392 26.780 -11.394 1.00 0.00 O ATOM 0 H GLU A 3 2.278 26.278 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 3 0.072 24.981 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.538 23.789 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.011 22.962 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.968 23.662 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.065 24.805 -10.914 1.00 0.00 H new ATOM 54 N PRO A 4 0.768 23.495 -6.474 1.00 0.00 N ATOM 55 CA PRO A 4 1.143 22.772 -5.259 1.00 0.00 C ATOM 56 C PRO A 4 2.279 21.789 -5.519 1.00 0.00 C ATOM 57 O PRO A 4 3.310 21.835 -4.847 1.00 0.00 O ATOM 58 CB PRO A 4 -0.138 22.027 -4.870 1.00 0.00 C ATOM 59 CG PRO A 4 -1.244 22.793 -5.511 1.00 0.00 C ATOM 60 CD PRO A 4 -0.671 23.371 -6.774 1.00 0.00 C ATOM 0 HA PRO A 4 1.507 23.438 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.117 20.996 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.260 21.991 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.092 22.144 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.606 23.581 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.848 22.720 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.116 24.337 -7.011 1.00 0.00 H new ATOM 68 N SER A 5 2.086 20.925 -6.524 1.00 0.00 N ATOM 69 CA SER A 5 3.069 19.905 -6.919 1.00 0.00 C ATOM 70 C SER A 5 3.568 19.096 -5.718 1.00 0.00 C ATOM 71 O SER A 5 4.696 18.606 -5.703 1.00 0.00 O ATOM 72 CB SER A 5 4.241 20.540 -7.695 1.00 0.00 C ATOM 73 OG SER A 5 4.809 21.648 -7.012 1.00 0.00 O ATOM 0 H SER A 5 1.238 20.913 -7.090 1.00 0.00 H new ATOM 0 HA SER A 5 2.563 19.206 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.011 19.787 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.891 20.862 -8.676 1.00 0.00 H new ATOM 0 HG SER A 5 4.617 21.575 -6.054 1.00 0.00 H new ATOM 79 N LYS A 6 2.699 18.924 -4.733 1.00 0.00 N ATOM 80 CA LYS A 6 3.048 18.211 -3.516 1.00 0.00 C ATOM 81 C LYS A 6 1.860 17.377 -3.044 1.00 0.00 C ATOM 82 O LYS A 6 1.069 17.825 -2.214 1.00 0.00 O ATOM 83 CB LYS A 6 3.474 19.207 -2.432 1.00 0.00 C ATOM 84 CG LYS A 6 3.826 18.570 -1.097 1.00 0.00 C ATOM 85 CD LYS A 6 4.124 19.625 -0.045 1.00 0.00 C ATOM 86 CE LYS A 6 4.285 19.006 1.333 1.00 0.00 C ATOM 87 NZ LYS A 6 4.561 20.030 2.370 1.00 0.00 N ATOM 0 H LYS A 6 1.740 19.272 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 6 3.883 17.541 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.336 19.769 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.668 19.924 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.000 17.942 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.692 17.920 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.035 20.161 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.317 20.358 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.378 18.460 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.099 18.281 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.664 19.568 3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.440 20.534 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.773 20.707 2.407 1.00 0.00 H new ATOM 101 N ILE A 7 1.720 16.186 -3.622 1.00 0.00 N ATOM 102 CA ILE A 7 0.631 15.270 -3.283 1.00 0.00 C ATOM 103 C ILE A 7 1.004 13.831 -3.642 1.00 0.00 C ATOM 104 O ILE A 7 0.657 13.336 -4.717 1.00 0.00 O ATOM 105 CB ILE A 7 -0.700 15.637 -3.996 1.00 0.00 C ATOM 106 CG1 ILE A 7 -0.425 16.159 -5.413 1.00 0.00 C ATOM 107 CG2 ILE A 7 -1.501 16.648 -3.182 1.00 0.00 C ATOM 108 CD1 ILE A 7 -1.676 16.480 -6.202 1.00 0.00 C ATOM 0 H ILE A 7 2.355 15.829 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 7 0.478 15.361 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.302 14.732 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.191 17.056 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.155 15.414 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.427 16.885 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.735 16.225 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.914 17.557 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.399 16.843 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.284 15.581 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.248 17.248 -5.681 1.00 0.00 H new ATOM 120 N THR A 8 1.744 13.172 -2.761 1.00 0.00 N ATOM 121 CA THR A 8 2.139 11.788 -2.984 1.00 0.00 C ATOM 122 C THR A 8 1.427 10.856 -2.008 1.00 0.00 C ATOM 123 O THR A 8 0.742 11.317 -1.090 1.00 0.00 O ATOM 124 CB THR A 8 3.665 11.611 -2.843 1.00 0.00 C ATOM 125 OG1 THR A 8 4.110 12.105 -1.570 1.00 0.00 O ATOM 126 CG2 THR A 8 4.399 12.339 -3.958 1.00 0.00 C ATOM 0 H THR A 8 2.083 13.573 -1.886 1.00 0.00 H new ATOM 0 HA THR A 8 1.849 11.529 -4.002 1.00 0.00 H new ATOM 0 HB THR A 8 3.888 10.546 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.040 11.834 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.473 12.200 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.087 11.937 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.164 13.402 -3.915 1.00 0.00 H new ATOM 134 N VAL A 9 1.592 9.546 -2.200 1.00 0.00 N ATOM 135 CA VAL A 9 0.985 8.558 -1.313 1.00 0.00 C ATOM 136 C VAL A 9 1.525 8.719 0.105 1.00 0.00 C ATOM 137 O VAL A 9 0.796 8.553 1.084 1.00 0.00 O ATOM 138 CB VAL A 9 1.257 7.115 -1.797 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.602 6.095 -0.879 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.771 6.928 -3.221 1.00 0.00 C ATOM 0 H VAL A 9 2.141 9.147 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.091 8.730 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 9 2.335 6.953 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.811 5.090 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.001 6.204 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.475 6.259 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.972 5.906 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.301 7.119 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.293 7.624 -3.878 1.00 0.00 H new ATOM 150 N GLU A 10 2.804 9.077 0.192 1.00 0.00 N ATOM 151 CA GLU A 10 3.474 9.276 1.471 1.00 0.00 C ATOM 152 C GLU A 10 2.715 10.291 2.316 1.00 0.00 C ATOM 153 O GLU A 10 2.405 10.050 3.481 1.00 0.00 O ATOM 154 CB GLU A 10 4.887 9.808 1.248 1.00 0.00 C ATOM 155 CG GLU A 10 5.595 9.219 0.042 1.00 0.00 C ATOM 156 CD GLU A 10 6.772 10.059 -0.399 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.562 11.028 -1.160 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.912 9.763 0.013 1.00 0.00 O ATOM 0 H GLU A 10 3.401 9.236 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 10 3.509 8.315 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.841 10.891 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.483 9.607 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.939 8.213 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.888 9.127 -0.782 1.00 0.00 H new ATOM 165 N GLN A 11 2.409 11.421 1.696 1.00 0.00 N ATOM 166 CA GLN A 11 1.786 12.539 2.381 1.00 0.00 C ATOM 167 C GLN A 11 0.280 12.341 2.509 1.00 0.00 C ATOM 168 O GLN A 11 -0.336 12.819 3.463 1.00 0.00 O ATOM 169 CB GLN A 11 2.112 13.827 1.630 1.00 0.00 C ATOM 170 CG GLN A 11 3.597 14.141 1.654 1.00 0.00 C ATOM 171 CD GLN A 11 4.014 15.191 0.650 1.00 0.00 C ATOM 172 OE1 GLN A 11 3.431 15.319 -0.428 1.00 0.00 O ATOM 173 NE2 GLN A 11 5.037 15.948 1.004 1.00 0.00 N ATOM 0 H GLN A 11 2.586 11.587 0.705 1.00 0.00 H new ATOM 0 HA GLN A 11 2.183 12.604 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.777 13.738 0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.559 14.655 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.872 14.478 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.156 13.225 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.489 15.805 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.375 16.675 0.374 1.00 0.00 H new ATOM 182 N TRP A 12 -0.309 11.618 1.563 1.00 0.00 N ATOM 183 CA TRP A 12 -1.732 11.310 1.626 1.00 0.00 C ATOM 184 C TRP A 12 -2.016 10.387 2.810 1.00 0.00 C ATOM 185 O TRP A 12 -2.954 10.613 3.577 1.00 0.00 O ATOM 186 CB TRP A 12 -2.212 10.667 0.320 1.00 0.00 C ATOM 187 CG TRP A 12 -3.697 10.483 0.274 1.00 0.00 C ATOM 188 CD1 TRP A 12 -4.637 11.459 0.107 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.417 9.252 0.402 1.00 0.00 C ATOM 190 NE1 TRP A 12 -5.895 10.913 0.128 1.00 0.00 N ATOM 191 CE2 TRP A 12 -5.787 9.557 0.303 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.037 7.923 0.586 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -6.777 8.580 0.385 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.017 6.952 0.667 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.373 7.286 0.565 1.00 0.00 C ATOM 0 H TRP A 12 0.173 11.237 0.749 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.280 12.242 1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.901 11.288 -0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.727 9.699 0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.421 12.509 -0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.768 11.431 0.030 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.993 7.657 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.824 8.835 0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.733 5.920 0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.116 6.505 0.630 1.00 0.00 H new ATOM 206 N LEU A 13 -1.184 9.360 2.966 1.00 0.00 N ATOM 207 CA LEU A 13 -1.312 8.438 4.087 1.00 0.00 C ATOM 208 C LEU A 13 -0.918 9.120 5.388 1.00 0.00 C ATOM 209 O LEU A 13 -1.463 8.811 6.443 1.00 0.00 O ATOM 210 CB LEU A 13 -0.449 7.189 3.877 1.00 0.00 C ATOM 211 CG LEU A 13 -0.910 6.247 2.762 1.00 0.00 C ATOM 212 CD1 LEU A 13 0.050 5.075 2.628 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.321 5.748 3.036 1.00 0.00 C ATOM 0 H LEU A 13 -0.415 9.147 2.330 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.357 8.132 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.571 7.506 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.418 6.629 4.812 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.916 6.800 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.291 4.414 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.047 5.446 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.084 4.523 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.633 5.080 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.339 5.210 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.003 6.596 3.087 1.00 0.00 H new ATOM 225 N ASN A 14 0.022 10.058 5.299 1.00 0.00 N ATOM 226 CA ASN A 14 0.506 10.784 6.470 1.00 0.00 C ATOM 227 C ASN A 14 -0.647 11.481 7.187 1.00 0.00 C ATOM 228 O ASN A 14 -0.780 11.390 8.407 1.00 0.00 O ATOM 229 CB ASN A 14 1.563 11.816 6.064 1.00 0.00 C ATOM 230 CG ASN A 14 2.245 12.452 7.262 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.413 11.818 8.305 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.637 13.709 7.127 1.00 0.00 N ATOM 0 H ASN A 14 0.466 10.334 4.423 1.00 0.00 H new ATOM 0 HA ASN A 14 0.958 10.063 7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.313 11.335 5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.094 12.594 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.096 14.186 7.903 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.480 14.200 6.247 1.00 0.00 H new ATOM 239 N ARG A 15 -1.485 12.165 6.418 1.00 0.00 N ATOM 240 CA ARG A 15 -2.653 12.835 6.975 1.00 0.00 C ATOM 241 C ARG A 15 -3.694 11.802 7.394 1.00 0.00 C ATOM 242 O ARG A 15 -4.350 11.937 8.429 1.00 0.00 O ATOM 243 CB ARG A 15 -3.275 13.786 5.944 1.00 0.00 C ATOM 244 CG ARG A 15 -2.279 14.707 5.252 1.00 0.00 C ATOM 245 CD ARG A 15 -2.973 15.640 4.270 1.00 0.00 C ATOM 246 NE ARG A 15 -3.889 14.924 3.380 1.00 0.00 N ATOM 247 CZ ARG A 15 -4.466 15.462 2.306 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.168 16.696 1.920 1.00 0.00 N ATOM 249 NH2 ARG A 15 -5.335 14.749 1.605 1.00 0.00 N ATOM 0 H ARG A 15 -1.378 12.270 5.409 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.334 13.411 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.790 13.194 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.030 14.396 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.745 15.295 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.535 14.110 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.526 16.400 4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.223 16.161 3.674 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.099 13.950 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.490 17.245 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.617 17.095 1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.558 13.795 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.781 15.154 0.782 1.00 0.00 H new ATOM 263 N TRP A 16 -3.807 10.757 6.584 1.00 0.00 N ATOM 264 CA TRP A 16 -4.831 9.737 6.752 1.00 0.00 C ATOM 265 C TRP A 16 -4.664 8.980 8.068 1.00 0.00 C ATOM 266 O TRP A 16 -5.521 9.060 8.942 1.00 0.00 O ATOM 267 CB TRP A 16 -4.783 8.768 5.569 1.00 0.00 C ATOM 268 CG TRP A 16 -5.919 7.789 5.529 1.00 0.00 C ATOM 269 CD1 TRP A 16 -7.226 8.063 5.248 1.00 0.00 C ATOM 270 CD2 TRP A 16 -5.848 6.375 5.756 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.971 6.911 5.288 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.150 5.860 5.598 1.00 0.00 C ATOM 273 CE3 TRP A 16 -4.810 5.495 6.078 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -7.439 4.505 5.751 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -5.099 4.151 6.229 1.00 0.00 C ATOM 276 CH2 TRP A 16 -6.404 3.668 6.065 1.00 0.00 C ATOM 0 H TRP A 16 -3.188 10.594 5.790 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.803 10.230 6.783 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.781 9.343 4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.844 8.216 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.618 9.045 5.026 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.974 6.848 5.115 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.801 5.858 6.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.444 4.130 5.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.305 3.462 6.478 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.597 2.613 6.189 1.00 0.00 H new ATOM 287 N LEU A 17 -3.545 8.276 8.224 1.00 0.00 N ATOM 288 CA LEU A 17 -3.360 7.391 9.373 1.00 0.00 C ATOM 289 C LEU A 17 -3.321 8.168 10.687 1.00 0.00 C ATOM 290 O LEU A 17 -3.696 7.644 11.730 1.00 0.00 O ATOM 291 CB LEU A 17 -2.099 6.521 9.200 1.00 0.00 C ATOM 292 CG LEU A 17 -0.768 7.264 9.002 1.00 0.00 C ATOM 293 CD1 LEU A 17 -0.147 7.656 10.336 1.00 0.00 C ATOM 294 CD2 LEU A 17 0.203 6.412 8.198 1.00 0.00 C ATOM 0 H LEU A 17 -2.758 8.300 7.575 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.224 6.728 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.004 5.881 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.253 5.865 8.343 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.978 8.179 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.793 8.179 10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.831 8.310 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.042 6.760 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.140 6.953 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.394 5.479 8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.228 6.192 7.221 1.00 0.00 H new ATOM 306 N THR A 18 -2.893 9.420 10.634 1.00 0.00 N ATOM 307 CA THR A 18 -2.799 10.237 11.837 1.00 0.00 C ATOM 308 C THR A 18 -4.185 10.660 12.331 1.00 0.00 C ATOM 309 O THR A 18 -4.446 10.688 13.535 1.00 0.00 O ATOM 310 CB THR A 18 -1.919 11.476 11.590 1.00 0.00 C ATOM 311 OG1 THR A 18 -0.654 11.061 11.062 1.00 0.00 O ATOM 312 CG2 THR A 18 -1.693 12.261 12.874 1.00 0.00 C ATOM 0 H THR A 18 -2.606 9.892 9.776 1.00 0.00 H new ATOM 0 HA THR A 18 -2.333 9.629 12.612 1.00 0.00 H new ATOM 0 HB THR A 18 -2.434 12.123 10.880 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.752 10.842 10.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.068 13.129 12.664 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.652 12.592 13.272 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.197 11.625 13.607 1.00 0.00 H new ATOM 320 N ASP A 19 -5.078 10.969 11.402 1.00 0.00 N ATOM 321 CA ASP A 19 -6.435 11.371 11.756 1.00 0.00 C ATOM 322 C ASP A 19 -7.327 10.148 11.944 1.00 0.00 C ATOM 323 O ASP A 19 -8.175 10.106 12.834 1.00 0.00 O ATOM 324 CB ASP A 19 -7.013 12.290 10.677 1.00 0.00 C ATOM 325 CG ASP A 19 -8.447 12.706 10.951 1.00 0.00 C ATOM 326 OD1 ASP A 19 -8.729 13.207 12.060 1.00 0.00 O ATOM 327 OD2 ASP A 19 -9.295 12.561 10.043 1.00 0.00 O ATOM 0 H ASP A 19 -4.890 10.950 10.400 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.398 11.917 12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.392 13.182 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.967 11.782 9.714 1.00 0.00 H new ATOM 332 N TYR A 20 -7.101 9.139 11.120 1.00 0.00 N ATOM 333 CA TYR A 20 -7.913 7.929 11.137 1.00 0.00 C ATOM 334 C TYR A 20 -7.388 6.898 12.137 1.00 0.00 C ATOM 335 O TYR A 20 -7.903 5.787 12.201 1.00 0.00 O ATOM 336 CB TYR A 20 -7.988 7.317 9.734 1.00 0.00 C ATOM 337 CG TYR A 20 -8.904 8.065 8.790 1.00 0.00 C ATOM 338 CD1 TYR A 20 -8.573 9.327 8.318 1.00 0.00 C ATOM 339 CD2 TYR A 20 -10.101 7.504 8.369 1.00 0.00 C ATOM 340 CE1 TYR A 20 -9.408 10.010 7.457 1.00 0.00 C ATOM 341 CE2 TYR A 20 -10.942 8.180 7.506 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.590 9.433 7.054 1.00 0.00 C ATOM 343 OH TYR A 20 -11.426 10.114 6.196 1.00 0.00 O ATOM 0 H TYR A 20 -6.355 9.132 10.424 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.914 8.215 11.458 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.986 7.288 9.306 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.330 6.285 9.816 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.645 9.783 8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.380 6.522 8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.135 10.993 7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.870 7.729 7.188 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.218 9.568 6.009 1.00 0.00 H new ATOM 353 N ALA A 21 -6.374 7.275 12.922 1.00 0.00 N ATOM 354 CA ALA A 21 -5.836 6.404 13.978 1.00 0.00 C ATOM 355 C ALA A 21 -6.855 6.157 15.094 1.00 0.00 C ATOM 356 O ALA A 21 -6.571 5.452 16.066 1.00 0.00 O ATOM 357 CB ALA A 21 -4.565 7.000 14.565 1.00 0.00 C ATOM 0 H ALA A 21 -5.907 8.179 12.848 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.607 5.444 13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.181 6.342 15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.817 7.107 13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.785 7.978 14.992 1.00 0.00 H new ATOM 363 N LYS A 22 -8.029 6.752 14.949 1.00 0.00 N ATOM 364 CA LYS A 22 -9.141 6.541 15.866 1.00 0.00 C ATOM 365 C LYS A 22 -9.669 5.105 15.740 1.00 0.00 C ATOM 366 O LYS A 22 -9.200 4.349 14.885 1.00 0.00 O ATOM 367 CB LYS A 22 -10.253 7.545 15.539 1.00 0.00 C ATOM 368 CG LYS A 22 -10.858 7.346 14.157 1.00 0.00 C ATOM 369 CD LYS A 22 -11.921 8.383 13.842 1.00 0.00 C ATOM 370 CE LYS A 22 -11.335 9.781 13.741 1.00 0.00 C ATOM 371 NZ LYS A 22 -12.312 10.745 13.174 1.00 0.00 N ATOM 0 H LYS A 22 -8.239 7.398 14.188 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.802 6.692 16.891 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.040 7.461 16.288 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.852 8.556 15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.069 7.397 13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.295 6.349 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.412 8.126 12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.687 8.365 14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.023 10.118 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.442 9.757 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.878 11.688 13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.590 10.437 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.153 10.786 13.784 1.00 0.00 H new ATOM 385 N PRO A 23 -10.626 4.695 16.600 1.00 0.00 N ATOM 386 CA PRO A 23 -11.293 3.394 16.475 1.00 0.00 C ATOM 387 C PRO A 23 -11.731 3.108 15.038 1.00 0.00 C ATOM 388 O PRO A 23 -12.498 3.867 14.442 1.00 0.00 O ATOM 389 CB PRO A 23 -12.502 3.536 17.396 1.00 0.00 C ATOM 390 CG PRO A 23 -12.051 4.482 18.453 1.00 0.00 C ATOM 391 CD PRO A 23 -11.115 5.447 17.776 1.00 0.00 C ATOM 0 HA PRO A 23 -10.639 2.563 16.738 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.368 3.923 16.859 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.794 2.575 17.820 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.899 5.006 18.895 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.547 3.952 19.261 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.628 6.362 17.481 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.296 5.739 18.434 1.00 0.00 H new ATOM 399 N HIS A 24 -11.244 2.000 14.498 1.00 0.00 N ATOM 400 CA HIS A 24 -11.423 1.683 13.084 1.00 0.00 C ATOM 401 C HIS A 24 -12.628 0.776 12.876 1.00 0.00 C ATOM 402 O HIS A 24 -12.701 0.065 11.869 1.00 0.00 O ATOM 403 CB HIS A 24 -10.180 0.970 12.536 1.00 0.00 C ATOM 404 CG HIS A 24 -8.877 1.628 12.878 1.00 0.00 C ATOM 405 ND1 HIS A 24 -8.337 2.661 12.149 1.00 0.00 N ATOM 406 CD2 HIS A 24 -7.996 1.378 13.879 1.00 0.00 C ATOM 407 CE1 HIS A 24 -7.183 3.017 12.680 1.00 0.00 C ATOM 408 NE2 HIS A 24 -6.951 2.255 13.731 1.00 0.00 N ATOM 0 H HIS A 24 -10.718 1.299 15.020 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.581 2.623 12.555 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.166 -0.051 12.917 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.264 0.904 11.451 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.098 0.628 14.649 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.536 3.801 12.315 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.130 2.309 14.334 1.00 0.00 H new ATOM 417 N LEU A 25 -13.567 0.816 13.825 1.00 0.00 N ATOM 418 CA LEU A 25 -14.708 -0.106 13.861 1.00 0.00 C ATOM 419 C LEU A 25 -14.230 -1.506 14.237 1.00 0.00 C ATOM 420 O LEU A 25 -14.652 -2.065 15.250 1.00 0.00 O ATOM 421 CB LEU A 25 -15.464 -0.131 12.524 1.00 0.00 C ATOM 422 CG LEU A 25 -16.061 1.209 12.091 1.00 0.00 C ATOM 423 CD1 LEU A 25 -16.662 1.098 10.700 1.00 0.00 C ATOM 424 CD2 LEU A 25 -17.110 1.670 13.090 1.00 0.00 C ATOM 0 H LEU A 25 -13.559 1.489 14.591 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.407 0.250 14.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.783 -0.476 11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.268 -0.864 12.593 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.263 1.951 12.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.082 2.060 10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.886 0.810 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -17.449 0.344 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.525 2.625 12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.907 0.929 13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.651 1.787 14.072 1.00 0.00 H new ATOM 436 N ARG A 26 -13.342 -2.055 13.423 1.00 0.00 N ATOM 437 CA ARG A 26 -12.689 -3.312 13.742 1.00 0.00 C ATOM 438 C ARG A 26 -11.592 -3.047 14.766 1.00 0.00 C ATOM 439 O ARG A 26 -10.980 -1.976 14.757 1.00 0.00 O ATOM 440 CB ARG A 26 -12.103 -3.951 12.478 1.00 0.00 C ATOM 441 CG ARG A 26 -13.103 -4.052 11.336 1.00 0.00 C ATOM 442 CD ARG A 26 -12.562 -4.866 10.168 1.00 0.00 C ATOM 443 NE ARG A 26 -11.295 -4.346 9.648 1.00 0.00 N ATOM 444 CZ ARG A 26 -11.104 -3.964 8.386 1.00 0.00 C ATOM 445 NH1 ARG A 26 -12.122 -3.893 7.538 1.00 0.00 N ATOM 446 NH2 ARG A 26 -9.891 -3.614 7.982 1.00 0.00 N ATOM 0 H ARG A 26 -13.057 -1.646 12.533 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.418 -4.008 14.158 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.244 -3.367 12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.736 -4.949 12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.023 -4.509 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.360 -3.051 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.422 -5.899 10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.301 -4.877 9.366 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.509 -4.272 10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.063 -4.132 7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.963 -3.599 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.109 -3.638 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.740 -3.321 7.017 1.00 0.00 H new ATOM 460 N GLN A 27 -11.359 -4.002 15.652 1.00 0.00 N ATOM 461 CA GLN A 27 -10.424 -3.812 16.756 1.00 0.00 C ATOM 462 C GLN A 27 -8.993 -3.623 16.258 1.00 0.00 C ATOM 463 O GLN A 27 -8.462 -2.508 16.290 1.00 0.00 O ATOM 464 CB GLN A 27 -10.482 -4.990 17.738 1.00 0.00 C ATOM 465 CG GLN A 27 -11.764 -5.066 18.560 1.00 0.00 C ATOM 466 CD GLN A 27 -12.993 -5.390 17.730 1.00 0.00 C ATOM 467 OE1 GLN A 27 -12.908 -6.072 16.706 1.00 0.00 O ATOM 468 NE2 GLN A 27 -14.142 -4.909 18.167 1.00 0.00 N ATOM 0 H GLN A 27 -11.804 -4.919 15.630 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.728 -2.903 17.276 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.369 -5.919 17.179 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.633 -4.922 18.418 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.647 -5.825 19.334 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.918 -4.114 19.068 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.169 -4.349 19.019 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.002 -5.097 17.653 1.00 0.00 H new ATOM 477 N SER A 28 -8.382 -4.716 15.796 1.00 0.00 N ATOM 478 CA SER A 28 -6.984 -4.718 15.362 1.00 0.00 C ATOM 479 C SER A 28 -6.049 -4.427 16.544 1.00 0.00 C ATOM 480 O SER A 28 -6.500 -4.115 17.647 1.00 0.00 O ATOM 481 CB SER A 28 -6.771 -3.711 14.224 1.00 0.00 C ATOM 482 OG SER A 28 -7.633 -3.993 13.130 1.00 0.00 O ATOM 0 H SER A 28 -8.842 -5.623 15.712 1.00 0.00 H new ATOM 0 HA SER A 28 -6.741 -5.710 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.957 -2.700 14.588 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.733 -3.745 13.893 1.00 0.00 H new ATOM 0 HG SER A 28 -7.482 -3.338 12.417 1.00 0.00 H new ATOM 488 N THR A 29 -4.748 -4.539 16.323 1.00 0.00 N ATOM 489 CA THR A 29 -3.780 -4.348 17.392 1.00 0.00 C ATOM 490 C THR A 29 -3.451 -2.866 17.591 1.00 0.00 C ATOM 491 O THR A 29 -3.008 -2.463 18.669 1.00 0.00 O ATOM 492 CB THR A 29 -2.492 -5.139 17.095 1.00 0.00 C ATOM 493 OG1 THR A 29 -2.835 -6.471 16.690 1.00 0.00 O ATOM 494 CG2 THR A 29 -1.593 -5.206 18.317 1.00 0.00 C ATOM 0 H THR A 29 -4.339 -4.761 15.415 1.00 0.00 H new ATOM 0 HA THR A 29 -4.226 -4.721 18.314 1.00 0.00 H new ATOM 0 HB THR A 29 -1.953 -4.627 16.298 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.017 -6.976 16.499 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.692 -5.771 18.076 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.318 -4.196 18.622 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.123 -5.699 19.132 1.00 0.00 H new ATOM 502 N TRP A 30 -3.705 -2.068 16.550 1.00 0.00 N ATOM 503 CA TRP A 30 -3.392 -0.633 16.534 1.00 0.00 C ATOM 504 C TRP A 30 -1.884 -0.425 16.407 1.00 0.00 C ATOM 505 O TRP A 30 -1.095 -1.136 17.035 1.00 0.00 O ATOM 506 CB TRP A 30 -3.949 0.086 17.774 1.00 0.00 C ATOM 507 CG TRP A 30 -4.012 1.575 17.620 1.00 0.00 C ATOM 508 CD1 TRP A 30 -5.034 2.292 17.068 1.00 0.00 C ATOM 509 CD2 TRP A 30 -3.021 2.529 18.017 1.00 0.00 C ATOM 510 NE1 TRP A 30 -4.740 3.632 17.096 1.00 0.00 N ATOM 511 CE2 TRP A 30 -3.508 3.804 17.670 1.00 0.00 C ATOM 512 CE3 TRP A 30 -1.770 2.428 18.629 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -2.788 4.968 17.916 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -1.055 3.585 18.873 1.00 0.00 C ATOM 515 CH2 TRP A 30 -1.565 4.840 18.516 1.00 0.00 C ATOM 0 H TRP A 30 -4.137 -2.400 15.688 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.880 -0.191 15.665 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -4.949 -0.293 17.986 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.327 -0.157 18.636 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.942 1.866 16.667 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.341 4.378 16.746 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.369 1.464 18.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.180 5.937 17.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.087 3.521 19.347 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.980 5.725 18.719 1.00 0.00 H new ATOM 526 N GLU A 31 -1.501 0.549 15.575 1.00 0.00 N ATOM 527 CA GLU A 31 -0.109 0.753 15.164 1.00 0.00 C ATOM 528 C GLU A 31 0.310 -0.380 14.222 1.00 0.00 C ATOM 529 O GLU A 31 1.473 -0.507 13.842 1.00 0.00 O ATOM 530 CB GLU A 31 0.838 0.849 16.371 1.00 0.00 C ATOM 531 CG GLU A 31 2.237 1.336 16.014 1.00 0.00 C ATOM 532 CD GLU A 31 3.191 1.318 17.190 1.00 0.00 C ATOM 533 OE1 GLU A 31 3.666 0.222 17.554 1.00 0.00 O ATOM 534 OE2 GLU A 31 3.486 2.397 17.745 1.00 0.00 O ATOM 0 H GLU A 31 -2.151 1.221 15.166 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.039 1.705 14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.405 1.524 17.109 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.913 -0.131 16.842 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.640 0.711 15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.173 2.351 15.622 1.00 0.00 H new ATOM 541 N SER A 32 -0.671 -1.174 13.821 1.00 0.00 N ATOM 542 CA SER A 32 -0.441 -2.308 12.946 1.00 0.00 C ATOM 543 C SER A 32 -0.170 -1.840 11.521 1.00 0.00 C ATOM 544 O SER A 32 0.929 -2.029 10.993 1.00 0.00 O ATOM 545 CB SER A 32 -1.655 -3.237 12.978 1.00 0.00 C ATOM 546 OG SER A 32 -1.986 -3.593 14.310 1.00 0.00 O ATOM 0 H SER A 32 -1.646 -1.049 14.093 1.00 0.00 H new ATOM 0 HA SER A 32 0.435 -2.852 13.298 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.506 -2.746 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.445 -4.136 12.399 1.00 0.00 H new ATOM 0 HG SER A 32 -2.766 -4.186 14.306 1.00 0.00 H new ATOM 552 N TYR A 33 -1.157 -1.198 10.904 1.00 0.00 N ATOM 553 CA TYR A 33 -1.009 -0.739 9.532 1.00 0.00 C ATOM 554 C TYR A 33 -0.151 0.515 9.507 1.00 0.00 C ATOM 555 O TYR A 33 0.552 0.787 8.534 1.00 0.00 O ATOM 556 CB TYR A 33 -2.374 -0.485 8.867 1.00 0.00 C ATOM 557 CG TYR A 33 -3.102 0.759 9.330 1.00 0.00 C ATOM 558 CD1 TYR A 33 -2.871 1.986 8.720 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.024 0.709 10.366 1.00 0.00 C ATOM 560 CE1 TYR A 33 -3.530 3.125 9.128 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.690 1.847 10.781 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.438 3.053 10.159 1.00 0.00 C ATOM 563 OH TYR A 33 -5.092 4.190 10.573 1.00 0.00 O ATOM 0 H TYR A 33 -2.059 -0.986 11.330 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.516 -1.523 8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.227 -0.419 7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.014 -1.348 9.049 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.160 2.048 7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.224 -0.233 10.855 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.335 4.069 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.405 1.793 11.589 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.194 4.803 9.815 1.00 0.00 H new ATOM 573 N GLU A 34 -0.199 1.255 10.607 1.00 0.00 N ATOM 574 CA GLU A 34 0.589 2.460 10.772 1.00 0.00 C ATOM 575 C GLU A 34 2.078 2.137 10.671 1.00 0.00 C ATOM 576 O GLU A 34 2.880 2.978 10.274 1.00 0.00 O ATOM 577 CB GLU A 34 0.273 3.125 12.123 1.00 0.00 C ATOM 578 CG GLU A 34 -1.206 3.458 12.331 1.00 0.00 C ATOM 579 CD GLU A 34 -1.987 2.337 13.002 1.00 0.00 C ATOM 580 OE1 GLU A 34 -1.952 1.192 12.504 1.00 0.00 O ATOM 581 OE2 GLU A 34 -2.638 2.597 14.033 1.00 0.00 O ATOM 0 H GLU A 34 -0.788 1.032 11.409 1.00 0.00 H new ATOM 0 HA GLU A 34 0.331 3.157 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.601 2.464 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.855 4.043 12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.286 4.361 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.660 3.681 11.366 1.00 0.00 H new ATOM 588 N THR A 35 2.439 0.905 11.016 1.00 0.00 N ATOM 589 CA THR A 35 3.814 0.455 10.892 1.00 0.00 C ATOM 590 C THR A 35 4.055 -0.204 9.532 1.00 0.00 C ATOM 591 O THR A 35 4.921 0.225 8.773 1.00 0.00 O ATOM 592 CB THR A 35 4.183 -0.541 12.014 1.00 0.00 C ATOM 593 OG1 THR A 35 3.957 0.058 13.298 1.00 0.00 O ATOM 594 CG2 THR A 35 5.640 -0.969 11.902 1.00 0.00 C ATOM 0 H THR A 35 1.796 0.203 11.383 1.00 0.00 H new ATOM 0 HA THR A 35 4.448 1.337 10.981 1.00 0.00 H new ATOM 0 HB THR A 35 3.551 -1.422 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.217 -0.401 13.747 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.876 -1.670 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.805 -1.450 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.284 -0.093 11.985 1.00 0.00 H new ATOM 602 N VAL A 36 3.262 -1.225 9.216 1.00 0.00 N ATOM 603 CA VAL A 36 3.520 -2.054 8.040 1.00 0.00 C ATOM 604 C VAL A 36 3.415 -1.272 6.729 1.00 0.00 C ATOM 605 O VAL A 36 4.243 -1.454 5.831 1.00 0.00 O ATOM 606 CB VAL A 36 2.590 -3.291 7.976 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.840 -4.208 9.161 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.124 -2.886 7.916 1.00 0.00 C ATOM 0 H VAL A 36 2.440 -1.498 9.754 1.00 0.00 H new ATOM 0 HA VAL A 36 4.549 -2.394 8.154 1.00 0.00 H new ATOM 0 HB VAL A 36 2.822 -3.832 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.178 -5.071 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.877 -4.544 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.645 -3.667 10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.501 -3.779 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.869 -2.309 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.950 -2.279 7.028 1.00 0.00 H new ATOM 618 N LEU A 37 2.424 -0.392 6.621 1.00 0.00 N ATOM 619 CA LEU A 37 2.191 0.322 5.374 1.00 0.00 C ATOM 620 C LEU A 37 3.352 1.248 5.049 1.00 0.00 C ATOM 621 O LEU A 37 4.011 1.076 4.025 1.00 0.00 O ATOM 622 CB LEU A 37 0.882 1.113 5.428 1.00 0.00 C ATOM 623 CG LEU A 37 -0.393 0.265 5.488 1.00 0.00 C ATOM 624 CD1 LEU A 37 -1.625 1.155 5.515 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.458 -0.694 4.308 1.00 0.00 C ATOM 0 H LEU A 37 1.777 -0.159 7.374 1.00 0.00 H new ATOM 0 HA LEU A 37 2.111 -0.421 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.906 1.765 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.829 1.757 4.550 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.369 -0.321 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.521 0.535 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.588 1.801 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.651 1.768 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.371 -1.286 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.456 -0.126 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.407 -1.357 4.330 1.00 0.00 H new ATOM 637 N ARG A 38 3.632 2.200 5.933 1.00 0.00 N ATOM 638 CA ARG A 38 4.672 3.189 5.667 1.00 0.00 C ATOM 639 C ARG A 38 6.027 2.521 5.469 1.00 0.00 C ATOM 640 O ARG A 38 6.816 2.946 4.626 1.00 0.00 O ATOM 641 CB ARG A 38 4.748 4.241 6.782 1.00 0.00 C ATOM 642 CG ARG A 38 5.110 3.706 8.157 1.00 0.00 C ATOM 643 CD ARG A 38 5.320 4.851 9.140 1.00 0.00 C ATOM 644 NE ARG A 38 5.621 4.379 10.491 1.00 0.00 N ATOM 645 CZ ARG A 38 6.173 5.139 11.443 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.513 6.396 11.190 1.00 0.00 N ATOM 647 NH2 ARG A 38 6.389 4.635 12.650 1.00 0.00 N ATOM 0 H ARG A 38 3.160 2.308 6.831 1.00 0.00 H new ATOM 0 HA ARG A 38 4.403 3.700 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.483 4.994 6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.784 4.746 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.318 3.050 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.017 3.105 8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.136 5.483 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.425 5.472 9.166 1.00 0.00 H new ATOM 0 HE ARG A 38 5.396 3.411 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.354 6.791 10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.933 6.968 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.134 3.668 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.810 5.214 13.377 1.00 0.00 H new ATOM 661 N LEU A 39 6.264 1.453 6.219 1.00 0.00 N ATOM 662 CA LEU A 39 7.526 0.727 6.162 1.00 0.00 C ATOM 663 C LEU A 39 7.745 0.084 4.794 1.00 0.00 C ATOM 664 O LEU A 39 8.872 0.011 4.307 1.00 0.00 O ATOM 665 CB LEU A 39 7.548 -0.352 7.249 1.00 0.00 C ATOM 666 CG LEU A 39 8.828 -1.187 7.325 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.009 -0.319 7.730 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.647 -2.343 8.296 1.00 0.00 C ATOM 0 H LEU A 39 5.591 1.067 6.881 1.00 0.00 H new ATOM 0 HA LEU A 39 8.332 1.441 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.390 0.127 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.706 -1.024 7.086 1.00 0.00 H new ATOM 0 HG LEU A 39 9.035 -1.599 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.910 -0.930 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.147 0.473 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.817 0.123 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.565 -2.928 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.418 -1.953 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.828 -2.978 7.957 1.00 0.00 H new ATOM 680 N HIS A 40 6.669 -0.382 4.171 1.00 0.00 N ATOM 681 CA HIS A 40 6.798 -1.129 2.927 1.00 0.00 C ATOM 682 C HIS A 40 6.500 -0.284 1.690 1.00 0.00 C ATOM 683 O HIS A 40 7.250 -0.331 0.716 1.00 0.00 O ATOM 684 CB HIS A 40 5.890 -2.362 2.943 1.00 0.00 C ATOM 685 CG HIS A 40 6.327 -3.412 3.916 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.832 -3.499 5.196 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.222 -4.420 3.794 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.403 -4.511 5.821 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.254 -5.090 4.995 1.00 0.00 N ATOM 0 H HIS A 40 5.712 -0.258 4.501 1.00 0.00 H new ATOM 0 HA HIS A 40 7.841 -1.439 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.874 -2.052 3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.860 -2.794 1.943 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.132 -2.877 5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.804 -4.655 2.915 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.207 -4.815 6.839 1.00 0.00 H new ATOM 698 N VAL A 41 5.418 0.483 1.717 1.00 0.00 N ATOM 699 CA VAL A 41 4.923 1.104 0.492 1.00 0.00 C ATOM 700 C VAL A 41 5.314 2.582 0.345 1.00 0.00 C ATOM 701 O VAL A 41 5.318 3.108 -0.764 1.00 0.00 O ATOM 702 CB VAL A 41 3.389 0.940 0.366 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.648 1.794 1.381 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.916 1.248 -1.046 1.00 0.00 C ATOM 0 H VAL A 41 4.874 0.688 2.555 1.00 0.00 H new ATOM 0 HA VAL A 41 5.413 0.573 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 41 3.159 -0.103 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.574 1.652 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.943 1.500 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.895 2.844 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.835 1.124 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.177 2.275 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.397 0.566 -1.748 1.00 0.00 H new ATOM 714 N ILE A 42 5.669 3.256 1.435 1.00 0.00 N ATOM 715 CA ILE A 42 5.986 4.683 1.336 1.00 0.00 C ATOM 716 C ILE A 42 7.318 4.937 0.609 1.00 0.00 C ATOM 717 O ILE A 42 7.355 5.732 -0.330 1.00 0.00 O ATOM 718 CB ILE A 42 5.959 5.397 2.711 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.504 5.657 3.121 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.750 6.702 2.670 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.355 6.517 4.358 1.00 0.00 C ATOM 0 H ILE A 42 5.744 2.856 2.370 1.00 0.00 H new ATOM 0 HA ILE A 42 5.192 5.120 0.730 1.00 0.00 H new ATOM 0 HB ILE A 42 6.432 4.752 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.985 6.138 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.010 4.701 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.713 7.181 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.787 6.491 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.316 7.368 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.297 6.654 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.843 6.029 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.817 7.489 4.184 1.00 0.00 H new ATOM 733 N PRO A 43 8.426 4.275 0.999 1.00 0.00 N ATOM 734 CA PRO A 43 9.718 4.464 0.327 1.00 0.00 C ATOM 735 C PRO A 43 9.707 3.937 -1.106 1.00 0.00 C ATOM 736 O PRO A 43 10.537 4.322 -1.930 1.00 0.00 O ATOM 737 CB PRO A 43 10.706 3.655 1.183 1.00 0.00 C ATOM 738 CG PRO A 43 9.989 3.383 2.465 1.00 0.00 C ATOM 739 CD PRO A 43 8.535 3.321 2.116 1.00 0.00 C ATOM 0 HA PRO A 43 9.976 5.520 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.988 2.727 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.625 4.215 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.325 2.446 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.182 4.169 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.233 2.316 1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.905 3.609 2.957 1.00 0.00 H new ATOM 747 N THR A 44 8.749 3.070 -1.402 1.00 0.00 N ATOM 748 CA THR A 44 8.684 2.422 -2.700 1.00 0.00 C ATOM 749 C THR A 44 7.714 3.129 -3.647 1.00 0.00 C ATOM 750 O THR A 44 8.124 3.733 -4.640 1.00 0.00 O ATOM 751 CB THR A 44 8.260 0.947 -2.546 1.00 0.00 C ATOM 752 OG1 THR A 44 7.082 0.861 -1.736 1.00 0.00 O ATOM 753 CG2 THR A 44 9.365 0.127 -1.908 1.00 0.00 C ATOM 0 H THR A 44 8.006 2.800 -0.758 1.00 0.00 H new ATOM 0 HA THR A 44 9.683 2.477 -3.132 1.00 0.00 H new ATOM 0 HB THR A 44 8.057 0.548 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.290 0.382 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.040 -0.909 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.257 0.170 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.593 0.529 -0.921 1.00 0.00 H new ATOM 761 N LEU A 45 6.431 3.066 -3.320 1.00 0.00 N ATOM 762 CA LEU A 45 5.387 3.564 -4.201 1.00 0.00 C ATOM 763 C LEU A 45 4.809 4.876 -3.685 1.00 0.00 C ATOM 764 O LEU A 45 3.870 5.419 -4.263 1.00 0.00 O ATOM 765 CB LEU A 45 4.278 2.522 -4.330 1.00 0.00 C ATOM 766 CG LEU A 45 4.747 1.134 -4.780 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.583 0.157 -4.800 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.401 1.208 -6.150 1.00 0.00 C ATOM 0 H LEU A 45 6.088 2.672 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 45 5.828 3.750 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.776 2.426 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.537 2.887 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 45 5.487 0.775 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.936 -0.823 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.157 0.078 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.821 0.514 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.727 0.213 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.683 1.590 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.262 1.874 -6.106 1.00 0.00 H new ATOM 780 N GLY A 46 5.382 5.379 -2.599 1.00 0.00 N ATOM 781 CA GLY A 46 4.942 6.641 -2.032 1.00 0.00 C ATOM 782 C GLY A 46 5.083 7.790 -3.007 1.00 0.00 C ATOM 783 O GLY A 46 4.307 8.741 -2.971 1.00 0.00 O ATOM 0 H GLY A 46 6.149 4.932 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.900 6.555 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.523 6.856 -1.135 1.00 0.00 H new ATOM 787 N SER A 47 6.073 7.688 -3.884 1.00 0.00 N ATOM 788 CA SER A 47 6.362 8.732 -4.855 1.00 0.00 C ATOM 789 C SER A 47 5.437 8.642 -6.070 1.00 0.00 C ATOM 790 O SER A 47 5.520 9.460 -6.988 1.00 0.00 O ATOM 791 CB SER A 47 7.819 8.613 -5.298 1.00 0.00 C ATOM 792 OG SER A 47 8.682 8.525 -4.174 1.00 0.00 O ATOM 0 H SER A 47 6.695 6.882 -3.941 1.00 0.00 H new ATOM 0 HA SER A 47 6.192 9.700 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.942 7.731 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.091 9.477 -5.904 1.00 0.00 H new ATOM 0 HG SER A 47 9.610 8.448 -4.479 1.00 0.00 H new ATOM 798 N ILE A 48 4.560 7.650 -6.072 1.00 0.00 N ATOM 799 CA ILE A 48 3.660 7.427 -7.190 1.00 0.00 C ATOM 800 C ILE A 48 2.308 8.083 -6.929 1.00 0.00 C ATOM 801 O ILE A 48 1.715 7.891 -5.871 1.00 0.00 O ATOM 802 CB ILE A 48 3.456 5.917 -7.451 1.00 0.00 C ATOM 803 CG1 ILE A 48 4.797 5.238 -7.733 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.493 5.689 -8.606 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.474 5.712 -9.002 1.00 0.00 C ATOM 0 H ILE A 48 4.453 6.984 -5.307 1.00 0.00 H new ATOM 0 HA ILE A 48 4.116 7.876 -8.072 1.00 0.00 H new ATOM 0 HB ILE A 48 3.022 5.474 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.465 5.413 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.641 4.161 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.367 4.619 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.528 6.136 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.893 6.149 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.418 5.183 -9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.827 5.512 -9.856 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.665 6.783 -8.934 1.00 0.00 H new ATOM 817 N PRO A 49 1.825 8.896 -7.877 1.00 0.00 N ATOM 818 CA PRO A 49 0.482 9.477 -7.810 1.00 0.00 C ATOM 819 C PRO A 49 -0.592 8.395 -7.712 1.00 0.00 C ATOM 820 O PRO A 49 -0.498 7.359 -8.375 1.00 0.00 O ATOM 821 CB PRO A 49 0.349 10.238 -9.133 1.00 0.00 C ATOM 822 CG PRO A 49 1.748 10.483 -9.584 1.00 0.00 C ATOM 823 CD PRO A 49 2.561 9.328 -9.074 1.00 0.00 C ATOM 0 HA PRO A 49 0.350 10.109 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.206 9.655 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.191 11.175 -8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.801 10.547 -10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.124 11.427 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.632 8.529 -9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.580 9.630 -8.832 1.00 0.00 H new ATOM 831 N LEU A 50 -1.612 8.640 -6.896 1.00 0.00 N ATOM 832 CA LEU A 50 -2.662 7.652 -6.651 1.00 0.00 C ATOM 833 C LEU A 50 -3.340 7.212 -7.943 1.00 0.00 C ATOM 834 O LEU A 50 -3.616 6.031 -8.135 1.00 0.00 O ATOM 835 CB LEU A 50 -3.711 8.202 -5.682 1.00 0.00 C ATOM 836 CG LEU A 50 -3.265 8.313 -4.224 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.377 8.901 -3.372 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.852 6.948 -3.689 1.00 0.00 C ATOM 0 H LEU A 50 -1.736 9.517 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.181 6.781 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.016 9.190 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.592 7.562 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.403 8.979 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.043 8.973 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.632 9.894 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.255 8.258 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.537 7.045 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.697 6.262 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.026 6.559 -4.284 1.00 0.00 H new ATOM 850 N LYS A 51 -3.590 8.159 -8.838 1.00 0.00 N ATOM 851 CA LYS A 51 -4.275 7.858 -10.090 1.00 0.00 C ATOM 852 C LYS A 51 -3.321 7.238 -11.111 1.00 0.00 C ATOM 853 O LYS A 51 -3.731 6.870 -12.214 1.00 0.00 O ATOM 854 CB LYS A 51 -4.924 9.121 -10.659 1.00 0.00 C ATOM 855 CG LYS A 51 -6.075 9.648 -9.815 1.00 0.00 C ATOM 856 CD LYS A 51 -6.648 10.928 -10.400 1.00 0.00 C ATOM 857 CE LYS A 51 -7.874 11.402 -9.636 1.00 0.00 C ATOM 858 NZ LYS A 51 -9.022 10.465 -9.776 1.00 0.00 N ATOM 0 H LYS A 51 -3.330 9.139 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.056 7.127 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.166 9.899 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.288 8.911 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.858 8.892 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.728 9.834 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.886 11.707 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.913 10.763 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.623 11.511 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.166 12.388 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.906 11.008 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.898 9.890 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.065 9.842 -8.945 1.00 0.00 H new ATOM 872 N LYS A 52 -2.052 7.124 -10.742 1.00 0.00 N ATOM 873 CA LYS A 52 -1.057 6.492 -11.602 1.00 0.00 C ATOM 874 C LYS A 52 -0.736 5.084 -11.108 1.00 0.00 C ATOM 875 O LYS A 52 -0.449 4.192 -11.904 1.00 0.00 O ATOM 876 CB LYS A 52 0.228 7.330 -11.656 1.00 0.00 C ATOM 877 CG LYS A 52 1.383 6.635 -12.365 1.00 0.00 C ATOM 878 CD LYS A 52 2.656 7.462 -12.313 1.00 0.00 C ATOM 879 CE LYS A 52 3.868 6.650 -12.748 1.00 0.00 C ATOM 880 NZ LYS A 52 3.763 6.174 -14.153 1.00 0.00 N ATOM 0 H LYS A 52 -1.686 7.461 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.475 6.427 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.016 8.272 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.533 7.577 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.561 5.664 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.112 6.449 -13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.551 8.334 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.810 7.832 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.766 7.258 -12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.983 5.792 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.648 5.700 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.972 5.504 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.596 6.985 -14.783 1.00 0.00 H new ATOM 894 N LEU A 53 -0.804 4.906 -9.790 1.00 0.00 N ATOM 895 CA LEU A 53 -0.455 3.642 -9.143 1.00 0.00 C ATOM 896 C LEU A 53 -1.229 2.479 -9.763 1.00 0.00 C ATOM 897 O LEU A 53 -2.462 2.489 -9.824 1.00 0.00 O ATOM 898 CB LEU A 53 -0.723 3.753 -7.631 1.00 0.00 C ATOM 899 CG LEU A 53 -0.116 2.653 -6.738 1.00 0.00 C ATOM 900 CD1 LEU A 53 -0.942 1.380 -6.789 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.321 2.364 -7.140 1.00 0.00 C ATOM 0 H LEU A 53 -1.102 5.634 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 53 0.605 3.440 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.345 4.716 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.802 3.760 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.125 3.021 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.486 0.625 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.954 1.589 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.980 1.011 -7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.729 1.585 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.348 2.029 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.917 3.270 -7.035 1.00 0.00 H new ATOM 913 N GLN A 54 -0.489 1.486 -10.234 1.00 0.00 N ATOM 914 CA GLN A 54 -1.074 0.338 -10.902 1.00 0.00 C ATOM 915 C GLN A 54 -0.779 -0.944 -10.129 1.00 0.00 C ATOM 916 O GLN A 54 0.151 -0.989 -9.321 1.00 0.00 O ATOM 917 CB GLN A 54 -0.519 0.242 -12.326 1.00 0.00 C ATOM 918 CG GLN A 54 -0.914 1.415 -13.205 1.00 0.00 C ATOM 919 CD GLN A 54 -0.033 1.557 -14.429 1.00 0.00 C ATOM 920 OE1 GLN A 54 0.487 0.571 -14.957 1.00 0.00 O ATOM 921 NE2 GLN A 54 0.157 2.784 -14.878 1.00 0.00 N ATOM 0 H GLN A 54 0.528 1.455 -10.163 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.156 0.464 -10.944 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.568 0.180 -12.281 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.872 -0.682 -12.785 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.950 1.293 -13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.865 2.333 -12.620 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.292 3.573 -14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.753 2.943 -15.691 1.00 0.00 H new ATOM 930 N PRO A 55 -1.569 -2.008 -10.365 1.00 0.00 N ATOM 931 CA PRO A 55 -1.366 -3.308 -9.715 1.00 0.00 C ATOM 932 C PRO A 55 0.019 -3.893 -9.986 1.00 0.00 C ATOM 933 O PRO A 55 0.527 -4.690 -9.199 1.00 0.00 O ATOM 934 CB PRO A 55 -2.452 -4.201 -10.332 1.00 0.00 C ATOM 935 CG PRO A 55 -2.912 -3.483 -11.554 1.00 0.00 C ATOM 936 CD PRO A 55 -2.734 -2.023 -11.265 1.00 0.00 C ATOM 0 HA PRO A 55 -1.431 -3.224 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.056 -5.185 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.275 -4.356 -9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.330 -3.782 -12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.955 -3.713 -11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.550 -1.450 -12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.617 -1.594 -10.791 1.00 0.00 H new ATOM 944 N ALA A 56 0.625 -3.483 -11.095 1.00 0.00 N ATOM 945 CA ALA A 56 1.943 -3.971 -11.475 1.00 0.00 C ATOM 946 C ALA A 56 3.013 -3.459 -10.518 1.00 0.00 C ATOM 947 O ALA A 56 3.993 -4.150 -10.233 1.00 0.00 O ATOM 948 CB ALA A 56 2.271 -3.560 -12.902 1.00 0.00 C ATOM 0 H ALA A 56 0.221 -2.811 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 56 1.929 -5.059 -11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.260 -3.933 -13.170 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.529 -3.979 -13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.260 -2.473 -12.979 1.00 0.00 H new ATOM 954 N ASP A 57 2.815 -2.246 -10.016 1.00 0.00 N ATOM 955 CA ASP A 57 3.764 -1.638 -9.093 1.00 0.00 C ATOM 956 C ASP A 57 3.728 -2.360 -7.757 1.00 0.00 C ATOM 957 O ASP A 57 4.765 -2.645 -7.155 1.00 0.00 O ATOM 958 CB ASP A 57 3.449 -0.150 -8.894 1.00 0.00 C ATOM 959 CG ASP A 57 3.481 0.629 -10.192 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.589 0.978 -10.653 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.400 0.879 -10.769 1.00 0.00 O ATOM 0 H ASP A 57 2.006 -1.664 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 57 4.763 -1.726 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.464 -0.048 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.169 0.280 -8.198 1.00 0.00 H new ATOM 966 N ILE A 58 2.523 -2.674 -7.310 1.00 0.00 N ATOM 967 CA ILE A 58 2.329 -3.411 -6.073 1.00 0.00 C ATOM 968 C ILE A 58 2.814 -4.851 -6.237 1.00 0.00 C ATOM 969 O ILE A 58 3.350 -5.449 -5.302 1.00 0.00 O ATOM 970 CB ILE A 58 0.847 -3.391 -5.650 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.377 -1.947 -5.464 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.641 -4.184 -4.369 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.088 -1.821 -5.110 1.00 0.00 C ATOM 0 H ILE A 58 1.658 -2.427 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 58 2.913 -2.928 -5.290 1.00 0.00 H new ATOM 0 HB ILE A 58 0.255 -3.858 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.972 -1.480 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.568 -1.392 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.412 -4.156 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.947 -5.218 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.240 -3.747 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.345 -0.768 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.693 -2.257 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.283 -2.347 -4.175 1.00 0.00 H new ATOM 985 N GLN A 59 2.631 -5.388 -7.438 1.00 0.00 N ATOM 986 CA GLN A 59 3.139 -6.711 -7.787 1.00 0.00 C ATOM 987 C GLN A 59 4.651 -6.757 -7.572 1.00 0.00 C ATOM 988 O GLN A 59 5.182 -7.677 -6.945 1.00 0.00 O ATOM 989 CB GLN A 59 2.812 -7.021 -9.253 1.00 0.00 C ATOM 990 CG GLN A 59 3.059 -8.463 -9.663 1.00 0.00 C ATOM 991 CD GLN A 59 3.021 -8.645 -11.169 1.00 0.00 C ATOM 992 OE1 GLN A 59 1.958 -8.848 -11.760 1.00 0.00 O ATOM 993 NE2 GLN A 59 4.182 -8.592 -11.800 1.00 0.00 N ATOM 0 H GLN A 59 2.129 -4.922 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 59 2.665 -7.457 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.766 -6.778 -9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.408 -6.368 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.029 -8.786 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.307 -9.104 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.040 -8.422 -11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.219 -8.721 -12.811 1.00 0.00 H new ATOM 1002 N ARG A 60 5.333 -5.736 -8.089 1.00 0.00 N ATOM 1003 CA ARG A 60 6.774 -5.600 -7.925 1.00 0.00 C ATOM 1004 C ARG A 60 7.142 -5.449 -6.452 1.00 0.00 C ATOM 1005 O ARG A 60 8.141 -6.002 -5.997 1.00 0.00 O ATOM 1006 CB ARG A 60 7.277 -4.397 -8.727 1.00 0.00 C ATOM 1007 CG ARG A 60 8.733 -4.041 -8.476 1.00 0.00 C ATOM 1008 CD ARG A 60 9.171 -2.872 -9.343 1.00 0.00 C ATOM 1009 NE ARG A 60 10.486 -2.354 -8.961 1.00 0.00 N ATOM 1010 CZ ARG A 60 11.098 -1.354 -9.590 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.583 -0.848 -10.706 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.244 -0.878 -9.121 1.00 0.00 N ATOM 0 H ARG A 60 4.903 -4.986 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 60 7.253 -6.504 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.143 -4.602 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.658 -3.532 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.872 -3.790 -7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.362 -4.906 -8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.197 -3.187 -10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.434 -2.073 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 60 10.960 -2.784 -8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.715 -1.226 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.056 -0.081 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.656 -1.279 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.713 -0.111 -9.603 1.00 0.00 H new ATOM 1026 N LEU A 61 6.327 -4.702 -5.715 1.00 0.00 N ATOM 1027 CA LEU A 61 6.547 -4.504 -4.285 1.00 0.00 C ATOM 1028 C LEU A 61 6.577 -5.852 -3.564 1.00 0.00 C ATOM 1029 O LEU A 61 7.499 -6.135 -2.792 1.00 0.00 O ATOM 1030 CB LEU A 61 5.450 -3.584 -3.708 1.00 0.00 C ATOM 1031 CG LEU A 61 5.633 -3.111 -2.253 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.193 -4.174 -1.259 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.077 -2.712 -1.997 1.00 0.00 C ATOM 0 H LEU A 61 5.506 -4.222 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 61 7.512 -4.021 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.377 -2.702 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.497 -4.108 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 61 4.997 -2.238 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.337 -3.805 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.139 -4.404 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.787 -5.076 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.185 -2.381 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.728 -3.568 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.355 -1.900 -2.669 1.00 0.00 H new ATOM 1045 N TYR A 62 5.573 -6.682 -3.832 1.00 0.00 N ATOM 1046 CA TYR A 62 5.508 -8.014 -3.244 1.00 0.00 C ATOM 1047 C TYR A 62 6.728 -8.835 -3.639 1.00 0.00 C ATOM 1048 O TYR A 62 7.434 -9.368 -2.781 1.00 0.00 O ATOM 1049 CB TYR A 62 4.239 -8.753 -3.684 1.00 0.00 C ATOM 1050 CG TYR A 62 2.950 -8.145 -3.177 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.876 -7.561 -1.918 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.801 -8.174 -3.955 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.694 -7.020 -1.451 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.615 -7.633 -3.497 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.567 -7.058 -2.244 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.613 -6.519 -1.783 1.00 0.00 O ATOM 0 H TYR A 62 4.795 -6.455 -4.452 1.00 0.00 H new ATOM 0 HA TYR A 62 5.487 -7.892 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.209 -8.780 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.298 -9.786 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.757 -7.530 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.835 -8.627 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.653 -6.570 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.269 -7.660 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.139 -6.187 -2.540 1.00 0.00 H new ATOM 1066 N ALA A 63 6.981 -8.913 -4.941 1.00 0.00 N ATOM 1067 CA ALA A 63 8.074 -9.721 -5.470 1.00 0.00 C ATOM 1068 C ALA A 63 9.422 -9.288 -4.901 1.00 0.00 C ATOM 1069 O ALA A 63 10.255 -10.125 -4.553 1.00 0.00 O ATOM 1070 CB ALA A 63 8.089 -9.641 -6.988 1.00 0.00 C ATOM 0 H ALA A 63 6.440 -8.423 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 63 7.907 -10.754 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.908 -10.247 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.143 -10.014 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.227 -8.605 -7.296 1.00 0.00 H new ATOM 1076 N SER A 64 9.619 -7.982 -4.787 1.00 0.00 N ATOM 1077 CA SER A 64 10.880 -7.430 -4.310 1.00 0.00 C ATOM 1078 C SER A 64 11.156 -7.861 -2.870 1.00 0.00 C ATOM 1079 O SER A 64 12.285 -8.208 -2.522 1.00 0.00 O ATOM 1080 CB SER A 64 10.856 -5.903 -4.413 1.00 0.00 C ATOM 1081 OG SER A 64 12.128 -5.345 -4.127 1.00 0.00 O ATOM 0 H SER A 64 8.916 -7.280 -5.020 1.00 0.00 H new ATOM 0 HA SER A 64 11.683 -7.816 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.545 -5.609 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.117 -5.502 -3.720 1.00 0.00 H new ATOM 0 HG SER A 64 12.081 -4.369 -4.202 1.00 0.00 H new ATOM 1087 N LYS A 65 10.122 -7.852 -2.037 1.00 0.00 N ATOM 1088 CA LYS A 65 10.281 -8.215 -0.638 1.00 0.00 C ATOM 1089 C LYS A 65 10.334 -9.732 -0.458 1.00 0.00 C ATOM 1090 O LYS A 65 11.041 -10.228 0.419 1.00 0.00 O ATOM 1091 CB LYS A 65 9.173 -7.587 0.212 1.00 0.00 C ATOM 1092 CG LYS A 65 9.361 -6.089 0.418 1.00 0.00 C ATOM 1093 CD LYS A 65 10.552 -5.800 1.326 1.00 0.00 C ATOM 1094 CE LYS A 65 10.931 -4.324 1.325 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.559 -3.906 0.041 1.00 0.00 N ATOM 0 H LYS A 65 9.171 -7.599 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 65 11.235 -7.817 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.210 -7.765 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.143 -8.081 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.510 -5.603 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.457 -5.663 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.315 -6.112 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.407 -6.393 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.041 -3.722 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.620 -4.127 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.952 -2.949 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.321 -4.569 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.842 -3.908 -0.713 1.00 0.00 H new ATOM 1109 N LEU A 66 9.608 -10.471 -1.298 1.00 0.00 N ATOM 1110 CA LEU A 66 9.694 -11.932 -1.287 1.00 0.00 C ATOM 1111 C LEU A 66 11.098 -12.375 -1.679 1.00 0.00 C ATOM 1112 O LEU A 66 11.614 -13.374 -1.175 1.00 0.00 O ATOM 1113 CB LEU A 66 8.665 -12.559 -2.233 1.00 0.00 C ATOM 1114 CG LEU A 66 7.349 -13.006 -1.584 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.610 -14.034 -0.492 1.00 0.00 C ATOM 1116 CD2 LEU A 66 6.581 -11.816 -1.029 1.00 0.00 C ATOM 0 H LEU A 66 8.961 -10.088 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 66 9.475 -12.274 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.435 -11.839 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.122 -13.423 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 66 6.735 -13.472 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.664 -14.338 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.104 -14.905 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.250 -13.596 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.652 -12.162 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.187 -11.311 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.353 -11.121 -1.837 1.00 0.00 H new ATOM 1128 N GLU A 67 11.708 -11.607 -2.571 1.00 0.00 N ATOM 1129 CA GLU A 67 13.082 -11.833 -2.989 1.00 0.00 C ATOM 1130 C GLU A 67 14.028 -11.743 -1.792 1.00 0.00 C ATOM 1131 O GLU A 67 15.031 -12.452 -1.724 1.00 0.00 O ATOM 1132 CB GLU A 67 13.457 -10.797 -4.049 1.00 0.00 C ATOM 1133 CG GLU A 67 14.887 -10.896 -4.542 1.00 0.00 C ATOM 1134 CD GLU A 67 15.212 -9.830 -5.564 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.527 -8.689 -5.164 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.146 -10.122 -6.776 1.00 0.00 O ATOM 0 H GLU A 67 11.263 -10.809 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 67 13.173 -12.833 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.784 -10.905 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.295 -9.800 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.569 -10.806 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.051 -11.880 -4.981 1.00 0.00 H new ATOM 1143 N SER A 68 13.684 -10.885 -0.839 1.00 0.00 N ATOM 1144 CA SER A 68 14.505 -10.694 0.346 1.00 0.00 C ATOM 1145 C SER A 68 14.298 -11.833 1.343 1.00 0.00 C ATOM 1146 O SER A 68 15.151 -12.086 2.192 1.00 0.00 O ATOM 1147 CB SER A 68 14.176 -9.352 0.993 1.00 0.00 C ATOM 1148 OG SER A 68 14.347 -8.297 0.061 1.00 0.00 O ATOM 0 H SER A 68 12.841 -10.311 -0.866 1.00 0.00 H new ATOM 0 HA SER A 68 15.553 -10.697 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.149 -9.360 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.821 -9.190 1.857 1.00 0.00 H new ATOM 0 HG SER A 68 14.131 -7.443 0.490 1.00 0.00 H new ATOM 1154 N GLY A 69 13.161 -12.510 1.234 1.00 0.00 N ATOM 1155 CA GLY A 69 12.899 -13.663 2.072 1.00 0.00 C ATOM 1156 C GLY A 69 12.136 -13.323 3.334 1.00 0.00 C ATOM 1157 O GLY A 69 12.460 -13.824 4.412 1.00 0.00 O ATOM 0 H GLY A 69 12.415 -12.280 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.333 -14.398 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.846 -14.130 2.343 1.00 0.00 H new ATOM 1161 N LEU A 70 11.118 -12.477 3.212 1.00 0.00 N ATOM 1162 CA LEU A 70 10.284 -12.143 4.363 1.00 0.00 C ATOM 1163 C LEU A 70 9.247 -13.241 4.583 1.00 0.00 C ATOM 1164 O LEU A 70 8.970 -14.031 3.679 1.00 0.00 O ATOM 1165 CB LEU A 70 9.591 -10.778 4.189 1.00 0.00 C ATOM 1166 CG LEU A 70 8.242 -10.785 3.456 1.00 0.00 C ATOM 1167 CD1 LEU A 70 7.598 -9.407 3.528 1.00 0.00 C ATOM 1168 CD2 LEU A 70 8.409 -11.213 2.007 1.00 0.00 C ATOM 0 H LEU A 70 10.853 -12.016 2.342 1.00 0.00 H new ATOM 0 HA LEU A 70 10.929 -12.071 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.441 -10.343 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.269 -10.117 3.650 1.00 0.00 H new ATOM 0 HG LEU A 70 7.591 -11.507 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.642 -9.424 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.436 -9.135 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.255 -8.674 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.438 -11.209 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.079 -10.520 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.830 -12.218 1.971 1.00 0.00 H new ATOM 1180 N SER A 71 8.682 -13.288 5.776 1.00 0.00 N ATOM 1181 CA SER A 71 7.694 -14.300 6.109 1.00 0.00 C ATOM 1182 C SER A 71 6.411 -14.094 5.303 1.00 0.00 C ATOM 1183 O SER A 71 5.869 -12.990 5.260 1.00 0.00 O ATOM 1184 CB SER A 71 7.402 -14.250 7.607 1.00 0.00 C ATOM 1185 OG SER A 71 8.613 -14.205 8.348 1.00 0.00 O ATOM 0 H SER A 71 8.891 -12.636 6.532 1.00 0.00 H new ATOM 0 HA SER A 71 8.092 -15.282 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.796 -13.374 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.822 -15.125 7.900 1.00 0.00 H new ATOM 0 HG SER A 71 8.409 -14.172 9.306 1.00 0.00 H new ATOM 1191 N PRO A 72 5.916 -15.158 4.645 1.00 0.00 N ATOM 1192 CA PRO A 72 4.698 -15.099 3.823 1.00 0.00 C ATOM 1193 C PRO A 72 3.488 -14.559 4.586 1.00 0.00 C ATOM 1194 O PRO A 72 2.643 -13.874 4.012 1.00 0.00 O ATOM 1195 CB PRO A 72 4.467 -16.553 3.420 1.00 0.00 C ATOM 1196 CG PRO A 72 5.815 -17.179 3.489 1.00 0.00 C ATOM 1197 CD PRO A 72 6.524 -16.499 4.625 1.00 0.00 C ATOM 0 HA PRO A 72 4.820 -14.420 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.766 -17.045 4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.047 -16.625 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.739 -18.253 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.357 -17.044 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.371 -17.025 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.600 -16.451 4.457 1.00 0.00 H new ATOM 1205 N THR A 73 3.408 -14.864 5.876 1.00 0.00 N ATOM 1206 CA THR A 73 2.323 -14.366 6.713 1.00 0.00 C ATOM 1207 C THR A 73 2.346 -12.839 6.787 1.00 0.00 C ATOM 1208 O THR A 73 1.304 -12.192 6.900 1.00 0.00 O ATOM 1209 CB THR A 73 2.409 -14.957 8.133 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.777 -14.977 8.566 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.830 -16.366 8.172 1.00 0.00 C ATOM 0 H THR A 73 4.081 -15.454 6.365 1.00 0.00 H new ATOM 0 HA THR A 73 1.384 -14.681 6.257 1.00 0.00 H new ATOM 0 HB THR A 73 1.824 -14.329 8.805 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.185 -15.834 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.902 -16.761 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.784 -16.338 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.389 -17.008 7.491 1.00 0.00 H new ATOM 1219 N ARG A 74 3.544 -12.276 6.686 1.00 0.00 N ATOM 1220 CA ARG A 74 3.732 -10.835 6.747 1.00 0.00 C ATOM 1221 C ARG A 74 3.215 -10.179 5.471 1.00 0.00 C ATOM 1222 O ARG A 74 2.401 -9.258 5.521 1.00 0.00 O ATOM 1223 CB ARG A 74 5.218 -10.513 6.952 1.00 0.00 C ATOM 1224 CG ARG A 74 5.528 -9.032 7.131 1.00 0.00 C ATOM 1225 CD ARG A 74 4.867 -8.461 8.375 1.00 0.00 C ATOM 1226 NE ARG A 74 5.043 -9.328 9.539 1.00 0.00 N ATOM 1227 CZ ARG A 74 5.988 -9.168 10.464 1.00 0.00 C ATOM 1228 NH1 ARG A 74 6.871 -8.181 10.367 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.057 -10.015 11.483 1.00 0.00 N ATOM 0 H ARG A 74 4.408 -12.804 6.560 1.00 0.00 H new ATOM 0 HA ARG A 74 3.166 -10.438 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.576 -11.054 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.779 -10.887 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.607 -8.892 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.188 -8.481 6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.287 -7.478 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.803 -8.319 8.187 1.00 0.00 H new ATOM 0 HE ARG A 74 4.397 -10.110 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.830 -7.536 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.590 -8.068 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.389 -10.783 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.778 -9.899 12.195 1.00 0.00 H new ATOM 1243 N VAL A 75 3.674 -10.676 4.327 1.00 0.00 N ATOM 1244 CA VAL A 75 3.291 -10.105 3.040 1.00 0.00 C ATOM 1245 C VAL A 75 1.814 -10.372 2.739 1.00 0.00 C ATOM 1246 O VAL A 75 1.160 -9.590 2.044 1.00 0.00 O ATOM 1247 CB VAL A 75 4.186 -10.636 1.891 1.00 0.00 C ATOM 1248 CG1 VAL A 75 4.010 -12.134 1.695 1.00 0.00 C ATOM 1249 CG2 VAL A 75 3.906 -9.887 0.599 1.00 0.00 C ATOM 0 H VAL A 75 4.310 -11.471 4.264 1.00 0.00 H new ATOM 0 HA VAL A 75 3.439 -9.027 3.106 1.00 0.00 H new ATOM 0 HB VAL A 75 5.224 -10.459 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.652 -12.472 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.282 -12.655 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.970 -12.349 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.545 -10.276 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.861 -10.020 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.111 -8.826 0.742 1.00 0.00 H new ATOM 1259 N ARG A 76 1.283 -11.463 3.284 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.131 -11.778 3.132 1.00 0.00 C ATOM 1261 C ARG A 76 -0.970 -10.725 3.846 1.00 0.00 C ATOM 1262 O ARG A 76 -1.991 -10.270 3.326 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.445 -13.171 3.692 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.854 -13.646 3.378 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.130 -15.017 3.971 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.415 -15.551 3.530 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.242 -16.256 4.299 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -3.922 -16.526 5.562 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.390 -16.695 3.799 1.00 0.00 N ATOM 0 H ARG A 76 1.811 -12.141 3.833 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.375 -11.777 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.270 -13.887 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.306 -13.159 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.575 -12.929 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.994 -13.682 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.334 -15.704 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.118 -14.951 5.059 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.699 -15.372 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.038 -16.192 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.560 -17.067 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.635 -16.492 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.027 -17.236 4.384 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.523 -10.330 5.034 1.00 0.00 N ATOM 1284 CA TYR A 77 -1.186 -9.272 5.782 1.00 0.00 C ATOM 1285 C TYR A 77 -1.097 -7.958 5.019 1.00 0.00 C ATOM 1286 O TYR A 77 -2.070 -7.210 4.938 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.568 -9.110 7.174 1.00 0.00 C ATOM 1288 CG TYR A 77 -1.214 -8.014 7.997 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.407 -8.237 8.675 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.639 -6.753 8.083 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -3.001 -7.234 9.419 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.226 -5.748 8.827 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.409 -5.991 9.489 1.00 0.00 C ATOM 1294 OH TYR A 77 -3.002 -4.988 10.221 1.00 0.00 O ATOM 0 H TYR A 77 0.294 -10.727 5.497 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.233 -9.548 5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.651 -10.054 7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.495 -8.895 7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.877 -9.208 8.620 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.284 -6.554 7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.926 -7.424 9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.759 -4.776 8.889 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.455 -4.176 10.167 1.00 0.00 H new ATOM 1304 N ILE A 78 0.076 -7.689 4.452 1.00 0.00 N ATOM 1305 CA ILE A 78 0.282 -6.489 3.649 1.00 0.00 C ATOM 1306 C ILE A 78 -0.726 -6.436 2.504 1.00 0.00 C ATOM 1307 O ILE A 78 -1.289 -5.383 2.205 1.00 0.00 O ATOM 1308 CB ILE A 78 1.716 -6.425 3.069 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.756 -6.464 4.192 1.00 0.00 C ATOM 1310 CG2 ILE A 78 1.901 -5.173 2.222 1.00 0.00 C ATOM 1311 CD1 ILE A 78 2.626 -5.333 5.189 1.00 0.00 C ATOM 0 H ILE A 78 0.898 -8.287 4.534 1.00 0.00 H new ATOM 0 HA ILE A 78 0.139 -5.632 4.308 1.00 0.00 H new ATOM 0 HB ILE A 78 1.861 -7.297 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.669 -7.413 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.753 -6.434 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.916 -5.149 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.189 -5.183 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.731 -4.289 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.398 -5.431 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.743 -4.379 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.643 -5.373 5.659 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.967 -7.588 1.893 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.895 -7.691 0.774 1.00 0.00 C ATOM 1325 C HIS A 79 -3.307 -7.265 1.176 1.00 0.00 C ATOM 1326 O HIS A 79 -3.958 -6.511 0.455 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.906 -9.128 0.228 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.884 -9.362 -0.887 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.868 -10.328 -0.832 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -3.012 -8.769 -2.097 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.558 -10.316 -1.956 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -4.059 -9.380 -2.740 1.00 0.00 N ATOM 0 H HIS A 79 -0.529 -8.471 2.156 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.554 -7.013 -0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.905 -9.377 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.135 -9.812 1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.404 -7.965 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.390 -10.962 -2.194 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.397 -9.148 -3.674 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.778 -7.736 2.328 1.00 0.00 N ATOM 1342 CA VAL A 80 -5.143 -7.443 2.753 1.00 0.00 C ATOM 1343 C VAL A 80 -5.265 -6.034 3.333 1.00 0.00 C ATOM 1344 O VAL A 80 -6.265 -5.354 3.109 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.685 -8.475 3.773 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.655 -9.876 3.189 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.921 -8.427 5.088 1.00 0.00 C ATOM 0 H VAL A 80 -3.243 -8.314 2.976 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.753 -7.509 1.852 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.720 -8.208 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.040 -10.584 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.274 -9.910 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.629 -10.141 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.333 -9.166 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.869 -8.647 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.013 -7.433 5.526 1.00 0.00 H new ATOM 1357 N VAL A 81 -4.244 -5.582 4.055 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.301 -4.270 4.683 1.00 0.00 C ATOM 1359 C VAL A 81 -4.161 -3.160 3.638 1.00 0.00 C ATOM 1360 O VAL A 81 -4.827 -2.129 3.723 1.00 0.00 O ATOM 1361 CB VAL A 81 -3.235 -4.105 5.796 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.824 -4.103 5.234 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.489 -2.839 6.595 1.00 0.00 C ATOM 0 H VAL A 81 -3.379 -6.098 4.217 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.279 -4.187 5.156 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.322 -4.965 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.108 -3.985 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.636 -5.045 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.713 -3.277 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.730 -2.741 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.444 -1.975 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.475 -2.891 7.056 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.320 -3.391 2.632 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.154 -2.434 1.549 1.00 0.00 C ATOM 1375 C LEU A 82 -4.381 -2.480 0.648 1.00 0.00 C ATOM 1376 O LEU A 82 -4.756 -1.482 0.029 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.882 -2.739 0.748 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.455 -1.655 -0.244 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.203 -0.342 0.481 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.215 -2.099 -1.009 1.00 0.00 C ATOM 0 H LEU A 82 -2.747 -4.230 2.547 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.052 -1.432 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.064 -2.909 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.032 -3.670 0.201 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.261 -1.498 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.900 0.419 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.116 -0.023 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.412 -0.479 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.078 -1.319 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.599 -2.281 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.434 -3.016 -1.556 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.006 -3.653 0.586 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.265 -3.816 -0.128 1.00 0.00 C ATOM 1394 C HIS A 83 -7.326 -2.921 0.498 1.00 0.00 C ATOM 1395 O HIS A 83 -7.982 -2.147 -0.192 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.714 -5.282 -0.087 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.995 -5.559 -0.813 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.206 -5.705 -0.172 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.243 -5.735 -2.131 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.144 -5.961 -1.064 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.586 -5.984 -2.259 1.00 0.00 N ATOM 0 H HIS A 83 -4.658 -4.506 1.024 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.125 -3.528 -1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.927 -5.902 -0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.828 -5.585 0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.520 -5.688 -2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.190 -6.124 -0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.075 -6.159 -3.137 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.463 -3.027 1.812 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.421 -2.228 2.567 1.00 0.00 C ATOM 1412 C GLU A 84 -8.143 -0.732 2.397 1.00 0.00 C ATOM 1413 O GLU A 84 -9.039 0.045 2.066 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.341 -2.613 4.047 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.339 -1.892 4.935 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.777 -2.236 4.602 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -11.267 -3.279 5.081 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.427 -1.464 3.869 1.00 0.00 O ATOM 0 H GLU A 84 -6.915 -3.668 2.385 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.423 -2.428 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.500 -3.687 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.334 -2.407 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.141 -2.146 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.195 -0.816 4.836 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.888 -0.346 2.606 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.490 1.056 2.556 1.00 0.00 C ATOM 1427 C ALA A 85 -6.803 1.693 1.201 1.00 0.00 C ATOM 1428 O ALA A 85 -7.355 2.792 1.133 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.007 1.192 2.868 1.00 0.00 C ATOM 0 H ALA A 85 -6.125 -0.990 2.813 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.070 1.588 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.722 2.243 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.808 0.800 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.428 0.630 2.135 1.00 0.00 H new ATOM 1435 N MET A 86 -6.462 0.994 0.121 1.00 0.00 N ATOM 1436 CA MET A 86 -6.668 1.524 -1.224 1.00 0.00 C ATOM 1437 C MET A 86 -8.145 1.535 -1.601 1.00 0.00 C ATOM 1438 O MET A 86 -8.577 2.348 -2.418 1.00 0.00 O ATOM 1439 CB MET A 86 -5.867 0.724 -2.254 1.00 0.00 C ATOM 1440 CG MET A 86 -4.367 0.951 -2.164 1.00 0.00 C ATOM 1441 SD MET A 86 -3.908 2.669 -2.470 1.00 0.00 S ATOM 1442 CE MET A 86 -2.139 2.607 -2.203 1.00 0.00 C ATOM 0 H MET A 86 -6.044 0.064 0.150 1.00 0.00 H new ATOM 0 HA MET A 86 -6.311 2.554 -1.225 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.075 -0.338 -2.119 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.208 0.991 -3.254 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.017 0.655 -1.175 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.862 0.309 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.710 3.595 -2.374 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.936 2.296 -1.178 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.692 1.893 -2.894 1.00 0.00 H new ATOM 1452 N SER A 87 -8.923 0.648 -0.993 1.00 0.00 N ATOM 1453 CA SER A 87 -10.348 0.585 -1.272 1.00 0.00 C ATOM 1454 C SER A 87 -11.060 1.796 -0.680 1.00 0.00 C ATOM 1455 O SER A 87 -12.076 2.242 -1.203 1.00 0.00 O ATOM 1456 CB SER A 87 -10.947 -0.712 -0.729 1.00 0.00 C ATOM 1457 OG SER A 87 -10.323 -1.839 -1.326 1.00 0.00 O ATOM 0 H SER A 87 -8.592 -0.032 -0.309 1.00 0.00 H new ATOM 0 HA SER A 87 -10.488 0.598 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.822 -0.751 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.019 -0.735 -0.928 1.00 0.00 H new ATOM 0 HG SER A 87 -9.368 -1.840 -1.105 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.504 2.342 0.400 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.044 3.551 1.020 1.00 0.00 C ATOM 1465 C GLN A 88 -10.966 4.706 0.018 1.00 0.00 C ATOM 1466 O GLN A 88 -11.910 5.487 -0.135 1.00 0.00 O ATOM 1467 CB GLN A 88 -10.252 3.873 2.297 1.00 0.00 C ATOM 1468 CG GLN A 88 -11.027 4.636 3.370 1.00 0.00 C ATOM 1469 CD GLN A 88 -11.146 6.123 3.097 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.274 6.905 3.476 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -12.242 6.533 2.484 1.00 0.00 N ATOM 0 H GLN A 88 -9.678 1.965 0.865 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.087 3.398 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.892 2.938 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.373 4.457 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.027 4.210 3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.536 4.491 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.943 5.855 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.388 7.528 2.310 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.845 4.779 -0.694 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.657 5.773 -1.745 1.00 0.00 C ATOM 1482 C ALA A 89 -10.645 5.539 -2.886 1.00 0.00 C ATOM 1483 O ALA A 89 -11.223 6.483 -3.432 1.00 0.00 O ATOM 1484 CB ALA A 89 -8.227 5.723 -2.260 1.00 0.00 C ATOM 0 H ALA A 89 -9.048 4.157 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.845 6.763 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.096 6.469 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.538 5.933 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.020 4.732 -2.664 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.839 4.273 -3.228 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.811 3.877 -4.243 1.00 0.00 C ATOM 1492 C ARG A 90 -13.226 4.293 -3.839 1.00 0.00 C ATOM 1493 O ARG A 90 -13.968 4.856 -4.646 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.732 2.359 -4.453 1.00 0.00 C ATOM 1495 CG ARG A 90 -13.026 1.713 -4.932 1.00 0.00 C ATOM 1496 CD ARG A 90 -13.370 2.066 -6.371 1.00 0.00 C ATOM 1497 NE ARG A 90 -14.655 1.484 -6.759 1.00 0.00 N ATOM 1498 CZ ARG A 90 -15.149 1.498 -7.993 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.457 2.027 -8.992 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -16.339 0.968 -8.230 1.00 0.00 N ATOM 0 H ARG A 90 -10.330 3.493 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.574 4.384 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.946 2.147 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.434 1.891 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.941 0.630 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.843 2.025 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.408 3.149 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.586 1.703 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.211 1.036 -6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.536 2.429 -8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.846 2.032 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.873 0.551 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.722 0.977 -9.175 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.585 4.027 -2.587 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.914 4.355 -2.084 1.00 0.00 C ATOM 1516 C GLU A 91 -15.137 5.860 -2.051 1.00 0.00 C ATOM 1517 O GLU A 91 -16.274 6.327 -2.115 1.00 0.00 O ATOM 1518 CB GLU A 91 -15.127 3.763 -0.690 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.080 2.245 -0.661 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.975 1.625 -1.710 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -17.212 1.767 -1.600 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.451 0.996 -2.651 1.00 0.00 O ATOM 0 H GLU A 91 -12.973 3.585 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.641 3.917 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.364 4.155 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.091 4.096 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.054 1.912 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.382 1.893 0.325 1.00 0.00 H new ATOM 1529 N SER A 92 -14.053 6.613 -1.960 1.00 0.00 N ATOM 1530 CA SER A 92 -14.132 8.065 -1.975 1.00 0.00 C ATOM 1531 C SER A 92 -14.313 8.580 -3.403 1.00 0.00 C ATOM 1532 O SER A 92 -14.668 9.739 -3.618 1.00 0.00 O ATOM 1533 CB SER A 92 -12.874 8.658 -1.346 1.00 0.00 C ATOM 1534 OG SER A 92 -12.697 8.183 -0.018 1.00 0.00 O ATOM 0 H SER A 92 -13.107 6.242 -1.875 1.00 0.00 H new ATOM 0 HA SER A 92 -14.999 8.376 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.004 8.397 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.944 9.746 -1.341 1.00 0.00 H new ATOM 0 HG SER A 92 -12.424 7.242 -0.041 1.00 0.00 H new ATOM 1540 N GLY A 93 -14.063 7.712 -4.376 1.00 0.00 N ATOM 1541 CA GLY A 93 -14.248 8.078 -5.766 1.00 0.00 C ATOM 1542 C GLY A 93 -13.016 8.718 -6.377 1.00 0.00 C ATOM 1543 O GLY A 93 -13.001 9.026 -7.567 1.00 0.00 O ATOM 0 H GLY A 93 -13.734 6.758 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.511 7.189 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.088 8.769 -5.846 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.977 8.913 -5.574 1.00 0.00 N ATOM 1548 CA LEU A 94 -10.754 9.538 -6.064 1.00 0.00 C ATOM 1549 C LEU A 94 -9.886 8.511 -6.780 1.00 0.00 C ATOM 1550 O LEU A 94 -8.948 8.858 -7.501 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.991 10.218 -4.914 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.484 9.300 -3.793 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -8.121 8.715 -4.140 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.424 10.059 -2.478 1.00 0.00 C ATOM 0 H LEU A 94 -11.956 8.650 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.020 10.313 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.136 10.745 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.642 10.971 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.185 8.472 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.785 8.069 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.198 8.134 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.403 9.523 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.063 9.396 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.746 10.907 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.420 10.419 -2.220 1.00 0.00 H new ATOM 1566 N LEU A 95 -10.210 7.244 -6.581 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.510 6.164 -7.243 1.00 0.00 C ATOM 1568 C LEU A 95 -10.494 5.353 -8.072 1.00 0.00 C ATOM 1569 O LEU A 95 -11.492 4.848 -7.553 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.808 5.281 -6.211 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.820 4.268 -6.780 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.764 4.970 -7.622 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.166 3.482 -5.651 1.00 0.00 C ATOM 0 H LEU A 95 -10.960 6.940 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.751 6.576 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.278 5.924 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.566 4.743 -5.642 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.362 3.573 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.067 4.233 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.246 5.496 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.221 5.685 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.463 2.762 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.634 4.167 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.932 2.954 -5.084 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.219 5.240 -9.361 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.139 4.592 -10.283 1.00 0.00 C ATOM 1587 C LEU A 96 -11.064 3.070 -10.177 1.00 0.00 C ATOM 1588 O LEU A 96 -12.060 2.382 -10.381 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.882 5.035 -11.733 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.522 4.649 -12.334 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.565 4.759 -13.851 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.408 5.532 -11.787 1.00 0.00 C ATOM 0 H LEU A 96 -9.364 5.589 -9.794 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.144 4.903 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.666 4.614 -12.363 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.982 6.119 -11.782 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.314 3.617 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.595 4.483 -14.263 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.330 4.089 -14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.801 5.785 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.458 5.235 -12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.614 6.573 -12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.354 5.420 -10.704 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.898 2.547 -9.836 1.00 0.00 N ATOM 1605 CA GLN A 97 -9.706 1.102 -9.791 1.00 0.00 C ATOM 1606 C GLN A 97 -8.895 0.705 -8.568 1.00 0.00 C ATOM 1607 O GLN A 97 -8.118 1.506 -8.051 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.033 0.609 -11.085 1.00 0.00 C ATOM 1609 CG GLN A 97 -7.712 1.298 -11.421 1.00 0.00 C ATOM 1610 CD GLN A 97 -6.520 0.704 -10.690 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -6.480 -0.493 -10.404 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -5.540 1.541 -10.384 1.00 0.00 N ATOM 0 H GLN A 97 -9.074 3.094 -9.587 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.683 0.625 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.856 -0.463 -11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.724 0.754 -11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.540 1.233 -12.495 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.790 2.357 -11.174 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.612 2.526 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.713 1.201 -9.893 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.086 -0.520 -8.105 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.371 -1.016 -6.939 1.00 0.00 C ATOM 1623 C ASN A 98 -7.128 -1.779 -7.375 1.00 0.00 C ATOM 1624 O ASN A 98 -7.221 -2.914 -7.846 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.263 -1.928 -6.084 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.482 -1.221 -5.521 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -11.038 -0.316 -6.140 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.905 -1.627 -4.335 1.00 0.00 N ATOM 0 H ASN A 98 -9.732 -1.191 -8.520 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.080 -0.157 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.590 -2.775 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.674 -2.332 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.718 -1.186 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.418 -2.381 -3.851 1.00 0.00 H new ATOM 1635 N PRO A 99 -5.947 -1.169 -7.223 1.00 0.00 N ATOM 1636 CA PRO A 99 -4.685 -1.767 -7.664 1.00 0.00 C ATOM 1637 C PRO A 99 -4.319 -2.994 -6.838 1.00 0.00 C ATOM 1638 O PRO A 99 -3.628 -3.893 -7.308 1.00 0.00 O ATOM 1639 CB PRO A 99 -3.654 -0.648 -7.456 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.447 0.595 -7.218 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.741 0.148 -6.610 1.00 0.00 C ATOM 0 HA PRO A 99 -4.737 -2.117 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.005 -0.867 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.011 -0.541 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.917 1.275 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.619 1.133 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.677 0.084 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.556 0.834 -6.841 1.00 0.00 H new ATOM 1649 N THR A 100 -4.809 -3.031 -5.609 1.00 0.00 N ATOM 1650 CA THR A 100 -4.545 -4.142 -4.714 1.00 0.00 C ATOM 1651 C THR A 100 -5.496 -5.306 -4.977 1.00 0.00 C ATOM 1652 O THR A 100 -5.317 -6.399 -4.446 1.00 0.00 O ATOM 1653 CB THR A 100 -4.669 -3.697 -3.252 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.758 -2.772 -3.115 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.384 -3.049 -2.773 1.00 0.00 C ATOM 0 H THR A 100 -5.395 -2.299 -5.208 1.00 0.00 H new ATOM 0 HA THR A 100 -3.526 -4.479 -4.903 1.00 0.00 H new ATOM 0 HB THR A 100 -4.860 -4.579 -2.640 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.607 -3.245 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.497 -2.742 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.564 -3.763 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.166 -2.176 -3.388 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.508 -5.061 -5.798 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.471 -6.092 -6.148 1.00 0.00 C ATOM 1665 C GLU A 101 -6.895 -6.978 -7.248 1.00 0.00 C ATOM 1666 O GLU A 101 -7.132 -8.185 -7.284 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.782 -5.450 -6.615 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.945 -6.422 -6.728 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.310 -7.054 -5.400 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.890 -6.356 -4.542 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.003 -8.248 -5.201 1.00 0.00 O ATOM 0 H GLU A 101 -6.682 -4.155 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.678 -6.704 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.053 -4.656 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.619 -4.982 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.813 -5.898 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.690 -7.206 -7.441 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.106 -6.367 -8.122 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.531 -7.067 -9.263 1.00 0.00 C ATOM 1680 C ALA A 102 -4.022 -7.230 -9.097 1.00 0.00 C ATOM 1681 O ALA A 102 -3.286 -7.363 -10.076 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.851 -6.314 -10.548 1.00 0.00 C ATOM 0 H ALA A 102 -5.848 -5.382 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.971 -8.063 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.418 -6.843 -11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.932 -6.250 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.432 -5.309 -10.495 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.565 -7.241 -7.855 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.146 -7.385 -7.572 1.00 0.00 C ATOM 1690 C ALA A 103 -1.775 -8.859 -7.485 1.00 0.00 C ATOM 1691 O ALA A 103 -2.213 -9.567 -6.576 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.783 -6.659 -6.285 1.00 0.00 C ATOM 0 H ALA A 103 -4.155 -7.152 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.579 -6.934 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.717 -6.777 -6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.018 -5.599 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.353 -7.079 -5.457 1.00 0.00 H new ATOM 1698 N LYS A 104 -0.985 -9.316 -8.450 1.00 0.00 N ATOM 1699 CA LYS A 104 -0.596 -10.717 -8.519 1.00 0.00 C ATOM 1700 C LYS A 104 0.425 -11.043 -7.437 1.00 0.00 C ATOM 1701 O LYS A 104 1.385 -10.298 -7.235 1.00 0.00 O ATOM 1702 CB LYS A 104 0.014 -11.057 -9.883 1.00 0.00 C ATOM 1703 CG LYS A 104 -0.814 -10.620 -11.080 1.00 0.00 C ATOM 1704 CD LYS A 104 -0.200 -11.134 -12.375 1.00 0.00 C ATOM 1705 CE LYS A 104 -0.743 -10.408 -13.595 1.00 0.00 C ATOM 1706 NZ LYS A 104 -0.377 -8.967 -13.588 1.00 0.00 N ATOM 0 H LYS A 104 -0.602 -8.735 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.498 -11.310 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.998 -10.593 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.166 -12.135 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.833 -10.995 -10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.876 -9.532 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.883 -11.014 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.399 -12.201 -12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.356 -10.877 -14.499 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.828 -10.507 -13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.125 -8.668 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.185 -8.405 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.435 -8.818 -12.956 1.00 0.00 H new ATOM 1720 N PRO A 105 0.228 -12.157 -6.725 1.00 0.00 N ATOM 1721 CA PRO A 105 1.199 -12.653 -5.756 1.00 0.00 C ATOM 1722 C PRO A 105 2.412 -13.257 -6.457 1.00 0.00 C ATOM 1723 O PRO A 105 2.299 -13.751 -7.582 1.00 0.00 O ATOM 1724 CB PRO A 105 0.433 -13.739 -4.981 1.00 0.00 C ATOM 1725 CG PRO A 105 -0.988 -13.634 -5.429 1.00 0.00 C ATOM 1726 CD PRO A 105 -0.954 -13.016 -6.797 1.00 0.00 C ATOM 0 HA PRO A 105 1.582 -11.861 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.837 -14.729 -5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.516 -13.584 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.460 -14.616 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.569 -13.021 -4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.862 -13.768 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.859 -12.445 -7.007 1.00 0.00 H new ATOM 1734 N PRO A 106 3.588 -13.220 -5.809 1.00 0.00 N ATOM 1735 CA PRO A 106 4.818 -13.790 -6.372 1.00 0.00 C ATOM 1736 C PRO A 106 4.665 -15.273 -6.703 1.00 0.00 C ATOM 1737 O PRO A 106 5.313 -15.791 -7.615 1.00 0.00 O ATOM 1738 CB PRO A 106 5.852 -13.585 -5.261 1.00 0.00 C ATOM 1739 CG PRO A 106 5.313 -12.464 -4.442 1.00 0.00 C ATOM 1740 CD PRO A 106 3.820 -12.600 -4.494 1.00 0.00 C ATOM 0 HA PRO A 106 5.096 -13.316 -7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 106 5.975 -14.488 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 106 6.831 -13.339 -5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.675 -12.521 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.632 -11.501 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.443 -13.223 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.324 -11.633 -4.411 1.00 0.00 H new ATOM 1748 N ARG A 107 3.804 -15.950 -5.954 1.00 0.00 N ATOM 1749 CA ARG A 107 3.485 -17.346 -6.221 1.00 0.00 C ATOM 1750 C ARG A 107 2.641 -17.464 -7.481 1.00 0.00 C ATOM 1751 O ARG A 107 1.445 -17.162 -7.476 1.00 0.00 O ATOM 1752 CB ARG A 107 2.738 -17.975 -5.041 1.00 0.00 C ATOM 1753 CG ARG A 107 3.612 -18.247 -3.834 1.00 0.00 C ATOM 1754 CD ARG A 107 4.734 -19.214 -4.173 1.00 0.00 C ATOM 1755 NE ARG A 107 5.488 -19.609 -2.988 1.00 0.00 N ATOM 1756 CZ ARG A 107 6.812 -19.517 -2.885 1.00 0.00 C ATOM 1757 NH1 ARG A 107 7.524 -19.023 -3.889 1.00 0.00 N ATOM 1758 NH2 ARG A 107 7.426 -19.919 -1.782 1.00 0.00 N ATOM 0 H ARG A 107 3.312 -15.553 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 107 4.423 -17.882 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.924 -17.314 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.286 -18.911 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.034 -17.311 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.005 -18.659 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.317 -20.101 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.407 -18.751 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 107 4.970 -19.978 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.057 -18.713 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.538 -18.953 -3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.884 -20.301 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.441 -19.846 -1.708 1.00 0.00 H new ATOM 1772 N HIS A 108 3.273 -17.886 -8.563 1.00 0.00 N ATOM 1773 CA HIS A 108 2.577 -18.056 -9.825 1.00 0.00 C ATOM 1774 C HIS A 108 2.155 -19.510 -9.993 1.00 0.00 C ATOM 1775 O HIS A 108 2.955 -20.419 -9.773 1.00 0.00 O ATOM 1776 CB HIS A 108 3.459 -17.614 -10.999 1.00 0.00 C ATOM 1777 CG HIS A 108 3.849 -16.166 -10.948 1.00 0.00 C ATOM 1778 ND1 HIS A 108 2.945 -15.146 -10.735 1.00 0.00 N ATOM 1779 CD2 HIS A 108 5.059 -15.571 -11.067 1.00 0.00 C ATOM 1780 CE1 HIS A 108 3.583 -13.990 -10.726 1.00 0.00 C ATOM 1781 NE2 HIS A 108 4.866 -14.219 -10.924 1.00 0.00 N ATOM 0 H HIS A 108 4.266 -18.117 -8.592 1.00 0.00 H new ATOM 0 HA HIS A 108 1.687 -17.427 -9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 108 4.362 -18.224 -11.013 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.930 -17.806 -11.932 1.00 0.00 H new ATOM 0 HD2 HIS A 108 6.002 -16.068 -11.242 1.00 0.00 H new ATOM 0 HE1 HIS A 108 3.130 -13.020 -10.581 1.00 0.00 H new ATOM 0 HE2 HIS A 108 5.596 -13.508 -10.964 1.00 0.00 H new ATOM 1790 N PRO A 109 0.888 -19.745 -10.366 1.00 0.00 N ATOM 1791 CA PRO A 109 0.342 -21.100 -10.512 1.00 0.00 C ATOM 1792 C PRO A 109 1.109 -21.936 -11.532 1.00 0.00 C ATOM 1793 O PRO A 109 1.748 -21.398 -12.442 1.00 0.00 O ATOM 1794 CB PRO A 109 -1.092 -20.870 -10.992 1.00 0.00 C ATOM 1795 CG PRO A 109 -1.412 -19.468 -10.603 1.00 0.00 C ATOM 1796 CD PRO A 109 -0.116 -18.713 -10.672 1.00 0.00 C ATOM 0 HA PRO A 109 0.409 -21.656 -9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.174 -21.008 -12.070 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.781 -21.575 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.152 -19.035 -11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.834 -19.428 -9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.043 -18.275 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.087 -17.896 -9.951 1.00 0.00 H new ATOM 1804 N LEU A 110 1.015 -23.254 -11.389 1.00 0.00 N ATOM 1805 CA LEU A 110 1.745 -24.192 -12.241 1.00 0.00 C ATOM 1806 C LEU A 110 1.090 -24.358 -13.615 1.00 0.00 C ATOM 1807 O LEU A 110 1.249 -25.388 -14.272 1.00 0.00 O ATOM 1808 CB LEU A 110 1.913 -25.566 -11.545 1.00 0.00 C ATOM 1809 CG LEU A 110 0.699 -26.163 -10.788 1.00 0.00 C ATOM 1810 CD1 LEU A 110 0.461 -25.449 -9.461 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -0.565 -26.147 -11.640 1.00 0.00 C ATOM 0 H LEU A 110 0.433 -23.703 -10.682 1.00 0.00 H new ATOM 0 HA LEU A 110 2.734 -23.764 -12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.218 -26.287 -12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.737 -25.481 -10.836 1.00 0.00 H new ATOM 0 HG LEU A 110 0.943 -27.204 -10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.397 -25.894 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.344 -25.550 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.266 -24.393 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.392 -26.574 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.806 -25.120 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.403 -26.736 -12.543 1.00 0.00 H new ATOM 1823 N GLU A 111 0.383 -23.330 -14.049 1.00 0.00 N ATOM 1824 CA GLU A 111 -0.270 -23.328 -15.349 1.00 0.00 C ATOM 1825 C GLU A 111 0.760 -23.068 -16.445 1.00 0.00 C ATOM 1826 O GLU A 111 1.949 -22.889 -16.167 1.00 0.00 O ATOM 1827 CB GLU A 111 -1.341 -22.238 -15.386 1.00 0.00 C ATOM 1828 CG GLU A 111 -2.298 -22.275 -14.207 1.00 0.00 C ATOM 1829 CD GLU A 111 -3.103 -21.000 -14.083 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -2.485 -19.921 -13.968 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -4.350 -21.067 -14.078 1.00 0.00 O ATOM 0 H GLU A 111 0.245 -22.474 -13.512 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.736 -24.299 -15.516 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.853 -21.264 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.913 -22.335 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.976 -23.121 -14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.734 -22.437 -13.289 1.00 0.00 H new ATOM 1838 N HIS A 112 0.303 -23.033 -17.685 1.00 0.00 N ATOM 1839 CA HIS A 112 1.179 -22.714 -18.799 1.00 0.00 C ATOM 1840 C HIS A 112 1.305 -21.204 -18.941 1.00 0.00 C ATOM 1841 O HIS A 112 0.552 -20.571 -19.682 1.00 0.00 O ATOM 1842 CB HIS A 112 0.663 -23.328 -20.106 1.00 0.00 C ATOM 1843 CG HIS A 112 0.641 -24.826 -20.106 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -0.519 -25.558 -20.018 1.00 0.00 N ATOM 1845 CD2 HIS A 112 1.644 -25.731 -20.193 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -0.233 -26.844 -20.052 1.00 0.00 C ATOM 1847 NE2 HIS A 112 1.075 -26.979 -20.158 1.00 0.00 N ATOM 0 H HIS A 112 -0.665 -23.221 -17.945 1.00 0.00 H new ATOM 0 HA HIS A 112 2.161 -23.141 -18.594 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -0.345 -22.960 -20.296 1.00 0.00 H new ATOM 0 HB3 HIS A 112 1.289 -22.984 -20.930 1.00 0.00 H new ATOM 0 HD2 HIS A 112 2.698 -25.511 -20.275 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -0.949 -27.651 -20.002 1.00 0.00 H new ATOM 0 HE2 HIS A 112 1.580 -27.864 -20.206 1.00 0.00 H new ATOM 1856 N HIS A 113 2.224 -20.627 -18.184 1.00 0.00 N ATOM 1857 CA HIS A 113 2.482 -19.199 -18.251 1.00 0.00 C ATOM 1858 C HIS A 113 3.952 -18.968 -18.584 1.00 0.00 C ATOM 1859 O HIS A 113 4.790 -18.838 -17.695 1.00 0.00 O ATOM 1860 CB HIS A 113 2.111 -18.521 -16.922 1.00 0.00 C ATOM 1861 CG HIS A 113 2.000 -17.021 -16.995 1.00 0.00 C ATOM 1862 ND1 HIS A 113 1.073 -16.298 -16.272 1.00 0.00 N ATOM 1863 CD2 HIS A 113 2.709 -16.106 -17.699 1.00 0.00 C ATOM 1864 CE1 HIS A 113 1.217 -15.013 -16.531 1.00 0.00 C ATOM 1865 NE2 HIS A 113 2.202 -14.868 -17.392 1.00 0.00 N ATOM 0 H HIS A 113 2.806 -21.129 -17.513 1.00 0.00 H new ATOM 0 HA HIS A 113 1.865 -18.757 -19.034 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.161 -18.926 -16.575 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.860 -18.781 -16.175 1.00 0.00 H new ATOM 0 HD2 HIS A 113 3.524 -16.313 -18.377 1.00 0.00 H new ATOM 0 HE1 HIS A 113 0.626 -14.214 -16.108 1.00 0.00 H new ATOM 0 HE2 HIS A 113 2.534 -13.981 -17.769 1.00 0.00 H new ATOM 1874 N HIS A 114 4.259 -18.954 -19.870 1.00 0.00 N ATOM 1875 CA HIS A 114 5.626 -18.756 -20.332 1.00 0.00 C ATOM 1876 C HIS A 114 5.757 -17.378 -20.966 1.00 0.00 C ATOM 1877 O HIS A 114 4.993 -17.031 -21.867 1.00 0.00 O ATOM 1878 CB HIS A 114 6.023 -19.834 -21.350 1.00 0.00 C ATOM 1879 CG HIS A 114 6.030 -21.228 -20.797 1.00 0.00 C ATOM 1880 ND1 HIS A 114 4.996 -22.120 -20.991 1.00 0.00 N ATOM 1881 CD2 HIS A 114 6.959 -21.891 -20.068 1.00 0.00 C ATOM 1882 CE1 HIS A 114 5.289 -23.265 -20.406 1.00 0.00 C ATOM 1883 NE2 HIS A 114 6.473 -23.156 -19.841 1.00 0.00 N ATOM 0 H HIS A 114 3.577 -19.078 -20.618 1.00 0.00 H new ATOM 0 HA HIS A 114 6.294 -18.831 -19.474 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.334 -19.793 -22.193 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.015 -19.604 -21.738 1.00 0.00 H new ATOM 0 HD2 HIS A 114 7.906 -21.498 -19.728 1.00 0.00 H new ATOM 0 HE1 HIS A 114 4.663 -24.145 -20.393 1.00 0.00 H new ATOM 0 HE2 HIS A 114 6.952 -23.891 -19.320 1.00 0.00 H new ATOM 1892 N HIS A 115 6.708 -16.586 -20.490 1.00 0.00 N ATOM 1893 CA HIS A 115 6.883 -15.237 -21.010 1.00 0.00 C ATOM 1894 C HIS A 115 8.267 -14.685 -20.692 1.00 0.00 C ATOM 1895 O HIS A 115 8.807 -14.914 -19.610 1.00 0.00 O ATOM 1896 CB HIS A 115 5.808 -14.289 -20.444 1.00 0.00 C ATOM 1897 CG HIS A 115 5.955 -13.973 -18.981 1.00 0.00 C ATOM 1898 ND1 HIS A 115 6.041 -12.685 -18.495 1.00 0.00 N ATOM 1899 CD2 HIS A 115 6.022 -14.784 -17.895 1.00 0.00 C ATOM 1900 CE1 HIS A 115 6.156 -12.718 -17.181 1.00 0.00 C ATOM 1901 NE2 HIS A 115 6.147 -13.977 -16.793 1.00 0.00 N ATOM 0 H HIS A 115 7.363 -16.850 -19.754 1.00 0.00 H new ATOM 0 HA HIS A 115 6.778 -15.296 -22.093 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.833 -13.356 -21.007 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.827 -14.735 -20.609 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.984 -15.863 -17.898 1.00 0.00 H new ATOM 0 HE1 HIS A 115 6.243 -11.858 -16.533 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.221 -14.300 -15.828 1.00 0.00 H new ATOM 1910 N HIS A 116 8.841 -13.990 -21.659 1.00 0.00 N ATOM 1911 CA HIS A 116 10.012 -13.154 -21.416 1.00 0.00 C ATOM 1912 C HIS A 116 9.772 -11.780 -22.025 1.00 0.00 C ATOM 1913 O HIS A 116 10.413 -10.803 -21.650 1.00 0.00 O ATOM 1914 CB HIS A 116 11.301 -13.775 -21.980 1.00 0.00 C ATOM 1915 CG HIS A 116 11.398 -13.806 -23.477 1.00 0.00 C ATOM 1916 ND1 HIS A 116 11.868 -12.749 -24.227 1.00 0.00 N ATOM 1917 CD2 HIS A 116 11.109 -14.787 -24.360 1.00 0.00 C ATOM 1918 CE1 HIS A 116 11.864 -13.082 -25.502 1.00 0.00 C ATOM 1919 NE2 HIS A 116 11.410 -14.315 -25.611 1.00 0.00 N ATOM 0 H HIS A 116 8.516 -13.986 -22.626 1.00 0.00 H new ATOM 0 HA HIS A 116 10.153 -13.069 -20.339 1.00 0.00 H new ATOM 0 HB2 HIS A 116 12.153 -13.219 -21.589 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.387 -14.795 -21.606 1.00 0.00 H new ATOM 0 HD2 HIS A 116 10.713 -15.764 -24.123 1.00 0.00 H new ATOM 0 HE1 HIS A 116 12.179 -12.451 -26.320 1.00 0.00 H new ATOM 0 HE2 HIS A 116 11.301 -14.833 -26.483 1.00 0.00 H new ATOM 1928 N HIS A 117 8.839 -11.743 -22.975 1.00 0.00 N ATOM 1929 CA HIS A 117 8.414 -10.515 -23.639 1.00 0.00 C ATOM 1930 C HIS A 117 9.586 -9.844 -24.346 1.00 0.00 C ATOM 1931 O HIS A 117 9.863 -10.218 -25.503 1.00 0.00 O ATOM 1932 CB HIS A 117 7.766 -9.556 -22.640 1.00 0.00 C ATOM 1933 CG HIS A 117 6.706 -8.693 -23.248 1.00 0.00 C ATOM 1934 ND1 HIS A 117 5.428 -9.145 -23.485 1.00 0.00 N ATOM 1935 CD2 HIS A 117 6.729 -7.403 -23.659 1.00 0.00 C ATOM 1936 CE1 HIS A 117 4.710 -8.173 -24.011 1.00 0.00 C ATOM 1937 NE2 HIS A 117 5.473 -7.105 -24.127 1.00 0.00 N ATOM 1938 OXT HIS A 117 10.225 -8.951 -23.744 1.00 0.00 O ATOM 0 H HIS A 117 8.352 -12.575 -23.308 1.00 0.00 H new ATOM 0 HA HIS A 117 7.671 -10.779 -24.392 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.331 -10.133 -21.824 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.537 -8.920 -22.205 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.576 -6.734 -23.625 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.671 -8.240 -24.299 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.179 -6.204 -24.503 1.00 0.00 H new TER 1947 HIS A 117