USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 803 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 41 TYR OH : rot 54:sc= -0.0975 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.731 X(o=-0.83,f=-0.81) USER MOD Set 2.1: A 20 THR OG1 : rot 146:sc= -0.193! USER MOD Set 2.2: A 23 SER OG : rot 120:sc= -0.184 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0167 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.306 USER MOD Single : A 10 THR OG1 : rot 119:sc= 1.3 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -13.7! C(o=-14!,f=-12!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.206 USER MOD Single : A 21 MET CE :methyl 172:sc= -2.48 (180deg=-2.74!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 33 GLN : amide:sc= -3.57! K(o=-3.6!,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= 0.481 K(o=0.48,f=-0.35) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.9) USER MOD Single : A 51 ASN : amide:sc= -0.0322 K(o=-0.032,f=-7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 SER OG : rot -96:sc= 2.15 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -114:sc= -2.66 (180deg=-6.82!) USER MOD Single : A 60 SER OG : rot -139:sc= 0.0015 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.67! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.0204 USER MOD Single : A 79 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.96) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 130:sc= -1.98 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 90:sc= -0.148 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -117:sc= -1.99 (180deg=-3.55!) USER MOD Single : A 96 CYS SG : rot 32:sc= 0.101 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 99 THR OG1 : rot -129:sc= -0.342 USER MOD Single : A 101 THR OG1 : rot 27:sc= 0.874 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.844 -18.507 -5.419 1.00 0.00 N ATOM 2 CA GLY A 1 -12.480 -19.779 -5.132 1.00 0.00 C ATOM 3 C GLY A 1 -11.801 -20.525 -4.001 1.00 0.00 C ATOM 4 O GLY A 1 -10.584 -20.443 -3.837 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.456 -17.732 -5.093 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.930 -18.457 -4.926 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.690 -18.419 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.525 -19.609 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.469 -20.398 -6.029 1.00 0.00 H new ATOM 8 N SER A 2 -12.590 -21.253 -3.217 1.00 0.00 N ATOM 9 CA SER A 2 -12.058 -22.012 -2.091 1.00 0.00 C ATOM 10 C SER A 2 -10.861 -22.855 -2.521 1.00 0.00 C ATOM 11 O SER A 2 -9.833 -22.884 -1.845 1.00 0.00 O ATOM 12 CB SER A 2 -13.143 -22.913 -1.497 1.00 0.00 C ATOM 13 OG SER A 2 -14.159 -22.145 -0.876 1.00 0.00 O ATOM 0 H SER A 2 -13.599 -21.333 -3.341 1.00 0.00 H new ATOM 0 HA SER A 2 -11.728 -21.304 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.578 -23.530 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.699 -23.591 -0.768 1.00 0.00 H new ATOM 0 HG SER A 2 -14.841 -22.743 -0.506 1.00 0.00 H new ATOM 19 N SER A 3 -11.003 -23.541 -3.651 1.00 0.00 N ATOM 20 CA SER A 3 -9.936 -24.388 -4.171 1.00 0.00 C ATOM 21 C SER A 3 -9.326 -23.781 -5.431 1.00 0.00 C ATOM 22 O SER A 3 -8.994 -24.493 -6.378 1.00 0.00 O ATOM 23 CB SER A 3 -10.471 -25.789 -4.473 1.00 0.00 C ATOM 24 OG SER A 3 -10.453 -26.603 -3.313 1.00 0.00 O ATOM 0 H SER A 3 -11.847 -23.527 -4.224 1.00 0.00 H new ATOM 0 HA SER A 3 -9.158 -24.460 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.489 -25.718 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.868 -26.251 -5.255 1.00 0.00 H new ATOM 0 HG SER A 3 -10.801 -27.492 -3.532 1.00 0.00 H new ATOM 30 N GLY A 4 -9.183 -22.460 -5.435 1.00 0.00 N ATOM 31 CA GLY A 4 -8.613 -21.778 -6.583 1.00 0.00 C ATOM 32 C GLY A 4 -7.244 -22.312 -6.953 1.00 0.00 C ATOM 33 O GLY A 4 -7.129 -23.365 -7.579 1.00 0.00 O ATOM 0 H GLY A 4 -9.452 -21.849 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.284 -21.885 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.538 -20.712 -6.368 1.00 0.00 H new ATOM 37 N SER A 5 -6.202 -21.582 -6.566 1.00 0.00 N ATOM 38 CA SER A 5 -4.833 -21.985 -6.866 1.00 0.00 C ATOM 39 C SER A 5 -3.848 -21.316 -5.913 1.00 0.00 C ATOM 40 O SER A 5 -4.222 -20.445 -5.127 1.00 0.00 O ATOM 41 CB SER A 5 -4.481 -21.633 -8.313 1.00 0.00 C ATOM 42 OG SER A 5 -4.501 -20.230 -8.515 1.00 0.00 O ATOM 0 H SER A 5 -6.280 -20.709 -6.044 1.00 0.00 H new ATOM 0 HA SER A 5 -4.761 -23.065 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.493 -22.025 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.189 -22.111 -8.990 1.00 0.00 H new ATOM 0 HG SER A 5 -4.271 -20.030 -9.447 1.00 0.00 H new ATOM 48 N SER A 6 -2.587 -21.729 -5.989 1.00 0.00 N ATOM 49 CA SER A 6 -1.547 -21.172 -5.131 1.00 0.00 C ATOM 50 C SER A 6 -1.084 -19.814 -5.649 1.00 0.00 C ATOM 51 O SER A 6 -0.719 -19.674 -6.815 1.00 0.00 O ATOM 52 CB SER A 6 -0.358 -22.131 -5.047 1.00 0.00 C ATOM 53 OG SER A 6 0.619 -21.654 -4.138 1.00 0.00 O ATOM 0 H SER A 6 -2.261 -22.447 -6.636 1.00 0.00 H new ATOM 0 HA SER A 6 -1.967 -21.037 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.703 -23.116 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.087 -22.250 -6.035 1.00 0.00 H new ATOM 0 HG SER A 6 1.368 -22.285 -4.101 1.00 0.00 H new ATOM 59 N GLY A 7 -1.104 -18.815 -4.772 1.00 0.00 N ATOM 60 CA GLY A 7 -0.684 -17.481 -5.158 1.00 0.00 C ATOM 61 C GLY A 7 0.714 -17.149 -4.675 1.00 0.00 C ATOM 62 O GLY A 7 1.336 -17.914 -3.937 1.00 0.00 O ATOM 0 H GLY A 7 -1.404 -18.906 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.720 -17.392 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.387 -16.752 -4.755 1.00 0.00 H new ATOM 66 N PRO A 8 1.230 -15.985 -5.096 1.00 0.00 N ATOM 67 CA PRO A 8 2.569 -15.529 -4.714 1.00 0.00 C ATOM 68 C PRO A 8 2.653 -15.145 -3.240 1.00 0.00 C ATOM 69 O PRO A 8 1.632 -14.957 -2.579 1.00 0.00 O ATOM 70 CB PRO A 8 2.791 -14.300 -5.600 1.00 0.00 C ATOM 71 CG PRO A 8 1.421 -13.805 -5.910 1.00 0.00 C ATOM 72 CD PRO A 8 0.545 -15.024 -5.977 1.00 0.00 C ATOM 0 HA PRO A 8 3.318 -16.309 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.379 -13.541 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.333 -14.560 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.072 -13.116 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.407 -13.262 -6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.466 -14.812 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.460 -15.402 -6.996 1.00 0.00 H new ATOM 80 N SER A 9 3.876 -15.031 -2.732 1.00 0.00 N ATOM 81 CA SER A 9 4.092 -14.673 -1.335 1.00 0.00 C ATOM 82 C SER A 9 3.671 -13.230 -1.072 1.00 0.00 C ATOM 83 O SER A 9 3.247 -12.518 -1.983 1.00 0.00 O ATOM 84 CB SER A 9 5.563 -14.863 -0.960 1.00 0.00 C ATOM 85 OG SER A 9 5.810 -14.436 0.369 1.00 0.00 O ATOM 0 H SER A 9 4.732 -15.181 -3.266 1.00 0.00 H new ATOM 0 HA SER A 9 3.479 -15.330 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.835 -15.913 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.193 -14.300 -1.649 1.00 0.00 H new ATOM 0 HG SER A 9 6.757 -14.569 0.585 1.00 0.00 H new ATOM 91 N THR A 10 3.791 -12.804 0.181 1.00 0.00 N ATOM 92 CA THR A 10 3.422 -11.447 0.566 1.00 0.00 C ATOM 93 C THR A 10 4.299 -10.942 1.706 1.00 0.00 C ATOM 94 O THR A 10 4.891 -11.729 2.444 1.00 0.00 O ATOM 95 CB THR A 10 1.945 -11.367 0.995 1.00 0.00 C ATOM 96 OG1 THR A 10 1.505 -10.004 0.986 1.00 0.00 O ATOM 97 CG2 THR A 10 1.751 -11.958 2.383 1.00 0.00 C ATOM 0 H THR A 10 4.141 -13.379 0.947 1.00 0.00 H new ATOM 0 HA THR A 10 3.572 -10.817 -0.311 1.00 0.00 H new ATOM 0 HB THR A 10 1.352 -11.945 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.770 -9.902 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.700 -11.890 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.059 -13.004 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.355 -11.404 3.102 1.00 0.00 H new ATOM 105 N VAL A 11 4.377 -9.622 1.846 1.00 0.00 N ATOM 106 CA VAL A 11 5.180 -9.011 2.898 1.00 0.00 C ATOM 107 C VAL A 11 4.584 -9.285 4.274 1.00 0.00 C ATOM 108 O VAL A 11 3.387 -9.114 4.504 1.00 0.00 O ATOM 109 CB VAL A 11 5.303 -7.489 2.698 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.871 -6.830 3.945 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.164 -7.179 1.482 1.00 0.00 C ATOM 0 H VAL A 11 3.894 -8.956 1.244 1.00 0.00 H new ATOM 0 HA VAL A 11 6.172 -9.459 2.839 1.00 0.00 H new ATOM 0 HB VAL A 11 4.307 -7.082 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.950 -5.755 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.211 -7.023 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.859 -7.239 4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.240 -6.099 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.160 -7.599 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.710 -7.617 0.593 1.00 0.00 H new ATOM 121 N PRO A 12 5.437 -9.721 5.212 1.00 0.00 N ATOM 122 CA PRO A 12 5.018 -10.027 6.583 1.00 0.00 C ATOM 123 C PRO A 12 4.641 -8.775 7.368 1.00 0.00 C ATOM 124 O PRO A 12 3.661 -8.770 8.113 1.00 0.00 O ATOM 125 CB PRO A 12 6.256 -10.688 7.194 1.00 0.00 C ATOM 126 CG PRO A 12 7.399 -10.154 6.403 1.00 0.00 C ATOM 127 CD PRO A 12 6.878 -9.947 5.008 1.00 0.00 C ATOM 0 HA PRO A 12 4.128 -10.655 6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.356 -10.441 8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.200 -11.774 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.763 -9.218 6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.236 -10.852 6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.354 -9.094 4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.063 -10.816 4.377 1.00 0.00 H new ATOM 135 N ILE A 13 5.425 -7.716 7.194 1.00 0.00 N ATOM 136 CA ILE A 13 5.171 -6.458 7.885 1.00 0.00 C ATOM 137 C ILE A 13 5.654 -5.270 7.060 1.00 0.00 C ATOM 138 O ILE A 13 6.508 -5.415 6.186 1.00 0.00 O ATOM 139 CB ILE A 13 5.858 -6.424 9.263 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.425 -5.181 10.044 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.371 -6.453 9.102 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.454 -5.369 11.544 1.00 0.00 C ATOM 0 H ILE A 13 6.240 -7.704 6.581 1.00 0.00 H new ATOM 0 HA ILE A 13 4.092 -6.387 8.024 1.00 0.00 H new ATOM 0 HB ILE A 13 5.554 -7.307 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.077 -4.349 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.415 -4.904 9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.842 -6.428 10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.664 -7.365 8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.692 -5.586 8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.135 -4.448 12.032 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.780 -6.179 11.822 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.468 -5.615 11.860 1.00 0.00 H new ATOM 154 N MET A 14 5.103 -4.095 7.345 1.00 0.00 N ATOM 155 CA MET A 14 5.480 -2.881 6.630 1.00 0.00 C ATOM 156 C MET A 14 6.211 -1.912 7.554 1.00 0.00 C ATOM 157 O MET A 14 6.069 -1.976 8.775 1.00 0.00 O ATOM 158 CB MET A 14 4.241 -2.205 6.040 1.00 0.00 C ATOM 159 CG MET A 14 3.581 -3.008 4.931 1.00 0.00 C ATOM 160 SD MET A 14 2.005 -2.305 4.407 1.00 0.00 S ATOM 161 CE MET A 14 2.552 -1.131 3.170 1.00 0.00 C ATOM 0 H MET A 14 4.394 -3.957 8.066 1.00 0.00 H new ATOM 0 HA MET A 14 6.153 -3.160 5.819 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.516 -2.036 6.836 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.522 -1.226 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.254 -3.059 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.422 -4.031 5.273 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.688 -0.614 2.751 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.222 -0.404 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.079 -1.659 2.375 1.00 0.00 H new ATOM 171 N HIS A 15 6.994 -1.014 6.962 1.00 0.00 N ATOM 172 CA HIS A 15 7.747 -0.031 7.733 1.00 0.00 C ATOM 173 C HIS A 15 7.554 1.370 7.162 1.00 0.00 C ATOM 174 O HIS A 15 7.315 1.535 5.966 1.00 0.00 O ATOM 175 CB HIS A 15 9.233 -0.390 7.742 1.00 0.00 C ATOM 176 CG HIS A 15 9.559 -1.574 8.600 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.465 -1.555 9.976 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.976 -2.818 8.270 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.813 -2.735 10.455 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.128 -3.521 9.440 1.00 0.00 N ATOM 0 H HIS A 15 7.123 -0.947 5.952 1.00 0.00 H new ATOM 0 HA HIS A 15 7.371 -0.042 8.756 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.555 -0.592 6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.804 0.470 8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.156 -3.189 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.836 -3.011 11.499 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.434 -4.491 9.514 1.00 0.00 H new ATOM 189 N GLN A 16 7.658 2.375 8.026 1.00 0.00 N ATOM 190 CA GLN A 16 7.492 3.762 7.607 1.00 0.00 C ATOM 191 C GLN A 16 8.839 4.475 7.540 1.00 0.00 C ATOM 192 O GLN A 16 9.559 4.558 8.535 1.00 0.00 O ATOM 193 CB GLN A 16 6.559 4.500 8.568 1.00 0.00 C ATOM 194 CG GLN A 16 6.460 5.992 8.295 1.00 0.00 C ATOM 195 CD GLN A 16 5.346 6.335 7.326 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.334 5.637 7.252 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.525 7.416 6.576 1.00 0.00 N ATOM 0 H GLN A 16 7.856 2.255 9.019 1.00 0.00 H new ATOM 0 HA GLN A 16 7.050 3.763 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.564 4.061 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.909 4.348 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.294 6.519 9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.409 6.348 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.379 7.966 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.809 7.696 5.906 1.00 0.00 H new ATOM 206 N VAL A 17 9.174 4.987 6.360 1.00 0.00 N ATOM 207 CA VAL A 17 10.434 5.694 6.163 1.00 0.00 C ATOM 208 C VAL A 17 10.252 7.198 6.329 1.00 0.00 C ATOM 209 O VAL A 17 10.991 7.846 7.071 1.00 0.00 O ATOM 210 CB VAL A 17 11.026 5.409 4.770 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.397 6.052 4.631 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.102 3.911 4.520 1.00 0.00 C ATOM 0 H VAL A 17 8.590 4.925 5.526 1.00 0.00 H new ATOM 0 HA VAL A 17 11.124 5.329 6.924 1.00 0.00 H new ATOM 0 HB VAL A 17 10.369 5.846 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.800 5.840 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.308 7.130 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.067 5.647 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.523 3.728 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.736 3.448 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.101 3.482 4.574 1.00 0.00 H new ATOM 222 N SER A 18 9.263 7.749 5.632 1.00 0.00 N ATOM 223 CA SER A 18 8.986 9.179 5.699 1.00 0.00 C ATOM 224 C SER A 18 7.513 9.460 5.418 1.00 0.00 C ATOM 225 O SER A 18 6.811 8.633 4.837 1.00 0.00 O ATOM 226 CB SER A 18 9.861 9.937 4.699 1.00 0.00 C ATOM 227 OG SER A 18 11.204 9.491 4.755 1.00 0.00 O ATOM 0 H SER A 18 8.641 7.227 5.015 1.00 0.00 H new ATOM 0 HA SER A 18 9.218 9.522 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.470 9.798 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.820 11.005 4.912 1.00 0.00 H new ATOM 0 HG SER A 18 11.742 9.990 4.105 1.00 0.00 H new ATOM 233 N ALA A 19 7.051 10.635 5.835 1.00 0.00 N ATOM 234 CA ALA A 19 5.662 11.027 5.627 1.00 0.00 C ATOM 235 C ALA A 19 5.502 12.541 5.708 1.00 0.00 C ATOM 236 O ALA A 19 6.215 13.213 6.455 1.00 0.00 O ATOM 237 CB ALA A 19 4.763 10.344 6.646 1.00 0.00 C ATOM 0 H ALA A 19 7.618 11.331 6.319 1.00 0.00 H new ATOM 0 HA ALA A 19 5.366 10.709 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.729 10.646 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.847 9.263 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.068 10.634 7.652 1.00 0.00 H new ATOM 243 N THR A 20 4.561 13.074 4.935 1.00 0.00 N ATOM 244 CA THR A 20 4.308 14.510 4.918 1.00 0.00 C ATOM 245 C THR A 20 2.964 14.839 5.557 1.00 0.00 C ATOM 246 O THR A 20 2.287 13.959 6.087 1.00 0.00 O ATOM 247 CB THR A 20 4.332 15.067 3.482 1.00 0.00 C ATOM 248 OG1 THR A 20 3.019 15.009 2.913 1.00 0.00 O ATOM 249 CG2 THR A 20 5.302 14.282 2.612 1.00 0.00 C ATOM 0 H THR A 20 3.961 12.533 4.312 1.00 0.00 H new ATOM 0 HA THR A 20 5.105 14.979 5.495 1.00 0.00 H new ATOM 0 HB THR A 20 4.665 16.104 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.887 15.776 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.301 14.694 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.306 14.352 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.995 13.237 2.577 1.00 0.00 H new ATOM 257 N MET A 21 2.584 16.111 5.502 1.00 0.00 N ATOM 258 CA MET A 21 1.318 16.555 6.074 1.00 0.00 C ATOM 259 C MET A 21 0.151 16.190 5.163 1.00 0.00 C ATOM 260 O MET A 21 -1.002 16.173 5.592 1.00 0.00 O ATOM 261 CB MET A 21 1.343 18.067 6.310 1.00 0.00 C ATOM 262 CG MET A 21 2.069 18.471 7.583 1.00 0.00 C ATOM 263 SD MET A 21 1.704 20.165 8.082 1.00 0.00 S ATOM 264 CE MET A 21 -0.084 20.114 8.170 1.00 0.00 C ATOM 0 H MET A 21 3.134 16.852 5.068 1.00 0.00 H new ATOM 0 HA MET A 21 1.182 16.047 7.029 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.822 18.552 5.459 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.319 18.437 6.353 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.789 17.791 8.388 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.143 18.364 7.434 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.454 21.044 8.602 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.494 19.992 7.168 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.394 19.275 8.794 1.00 0.00 H new ATOM 274 N ARG A 22 0.459 15.900 3.903 1.00 0.00 N ATOM 275 CA ARG A 22 -0.565 15.537 2.931 1.00 0.00 C ATOM 276 C ARG A 22 -0.181 14.262 2.186 1.00 0.00 C ATOM 277 O ARG A 22 -0.882 13.830 1.271 1.00 0.00 O ATOM 278 CB ARG A 22 -0.779 16.677 1.933 1.00 0.00 C ATOM 279 CG ARG A 22 -1.112 18.007 2.590 1.00 0.00 C ATOM 280 CD ARG A 22 -0.770 19.178 1.682 1.00 0.00 C ATOM 281 NE ARG A 22 -0.763 20.447 2.405 1.00 0.00 N ATOM 282 CZ ARG A 22 0.131 20.757 3.337 1.00 0.00 C ATOM 283 NH1 ARG A 22 1.085 19.894 3.658 1.00 0.00 N ATOM 284 NH2 ARG A 22 0.071 21.932 3.951 1.00 0.00 N ATOM 0 H ARG A 22 1.409 15.909 3.532 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.494 15.356 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.121 16.795 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.586 16.406 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.173 18.036 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.562 18.099 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.208 19.013 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.493 19.229 0.868 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.484 21.133 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.134 18.990 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.770 20.135 4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.662 22.598 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.758 22.169 4.667 1.00 0.00 H new ATOM 298 N SER A 23 0.937 13.664 2.586 1.00 0.00 N ATOM 299 CA SER A 23 1.418 12.440 1.954 1.00 0.00 C ATOM 300 C SER A 23 2.005 11.488 2.991 1.00 0.00 C ATOM 301 O SER A 23 2.166 11.847 4.158 1.00 0.00 O ATOM 302 CB SER A 23 2.469 12.768 0.892 1.00 0.00 C ATOM 303 OG SER A 23 1.982 13.728 -0.030 1.00 0.00 O ATOM 0 H SER A 23 1.527 14.007 3.344 1.00 0.00 H new ATOM 0 HA SER A 23 0.570 11.950 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.371 13.147 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.749 11.859 0.361 1.00 0.00 H new ATOM 0 HG SER A 23 2.554 14.523 -0.007 1.00 0.00 H new ATOM 309 N ILE A 24 2.323 10.273 2.557 1.00 0.00 N ATOM 310 CA ILE A 24 2.893 9.269 3.446 1.00 0.00 C ATOM 311 C ILE A 24 3.747 8.271 2.672 1.00 0.00 C ATOM 312 O ILE A 24 3.271 7.619 1.742 1.00 0.00 O ATOM 313 CB ILE A 24 1.795 8.506 4.210 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.865 9.487 4.926 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.418 7.537 5.204 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.263 8.813 5.676 1.00 0.00 C ATOM 0 H ILE A 24 2.195 9.960 1.595 1.00 0.00 H new ATOM 0 HA ILE A 24 3.520 9.800 4.162 1.00 0.00 H new ATOM 0 HB ILE A 24 1.206 7.933 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.450 10.084 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.443 10.176 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.630 7.005 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.043 6.821 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.028 8.090 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.882 9.569 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.871 8.238 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.150 8.146 6.432 1.00 0.00 H new ATOM 328 N THR A 25 5.012 8.153 3.064 1.00 0.00 N ATOM 329 CA THR A 25 5.933 7.233 2.408 1.00 0.00 C ATOM 330 C THR A 25 6.131 5.970 3.238 1.00 0.00 C ATOM 331 O THR A 25 6.231 6.029 4.464 1.00 0.00 O ATOM 332 CB THR A 25 7.303 7.892 2.161 1.00 0.00 C ATOM 333 OG1 THR A 25 7.129 9.274 1.829 1.00 0.00 O ATOM 334 CG2 THR A 25 8.048 7.185 1.038 1.00 0.00 C ATOM 0 H THR A 25 5.422 8.683 3.833 1.00 0.00 H new ATOM 0 HA THR A 25 5.487 6.968 1.449 1.00 0.00 H new ATOM 0 HB THR A 25 7.892 7.810 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.005 9.686 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.013 7.668 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.204 6.140 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.461 7.240 0.121 1.00 0.00 H new ATOM 342 N LEU A 26 6.190 4.828 2.562 1.00 0.00 N ATOM 343 CA LEU A 26 6.378 3.548 3.237 1.00 0.00 C ATOM 344 C LEU A 26 7.327 2.651 2.449 1.00 0.00 C ATOM 345 O LEU A 26 7.657 2.939 1.299 1.00 0.00 O ATOM 346 CB LEU A 26 5.032 2.846 3.425 1.00 0.00 C ATOM 347 CG LEU A 26 3.832 3.755 3.692 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.548 3.103 3.202 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.732 4.085 5.175 1.00 0.00 C ATOM 0 H LEU A 26 6.110 4.762 1.547 1.00 0.00 H new ATOM 0 HA LEU A 26 6.819 3.742 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.824 2.257 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.123 2.145 4.255 1.00 0.00 H new ATOM 0 HG LEU A 26 3.976 4.685 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.705 3.765 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.620 2.919 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.398 2.158 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.872 4.733 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.612 3.164 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.640 4.595 5.496 1.00 0.00 H new ATOM 361 N SER A 27 7.760 1.561 3.075 1.00 0.00 N ATOM 362 CA SER A 27 8.672 0.622 2.433 1.00 0.00 C ATOM 363 C SER A 27 8.526 -0.773 3.033 1.00 0.00 C ATOM 364 O SER A 27 8.471 -0.933 4.252 1.00 0.00 O ATOM 365 CB SER A 27 10.117 1.103 2.577 1.00 0.00 C ATOM 366 OG SER A 27 11.005 0.277 1.843 1.00 0.00 O ATOM 0 H SER A 27 7.494 1.307 4.026 1.00 0.00 H new ATOM 0 HA SER A 27 8.417 0.572 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.198 2.132 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.401 1.102 3.629 1.00 0.00 H new ATOM 0 HG SER A 27 11.922 0.606 1.950 1.00 0.00 H new ATOM 372 N TRP A 28 8.464 -1.778 2.167 1.00 0.00 N ATOM 373 CA TRP A 28 8.324 -3.161 2.611 1.00 0.00 C ATOM 374 C TRP A 28 9.401 -4.043 1.989 1.00 0.00 C ATOM 375 O TRP A 28 9.866 -3.804 0.875 1.00 0.00 O ATOM 376 CB TRP A 28 6.938 -3.696 2.250 1.00 0.00 C ATOM 377 CG TRP A 28 6.547 -3.422 0.829 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.630 -4.285 -0.226 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.012 -2.200 0.308 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.180 -3.673 -1.371 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.794 -2.394 -1.070 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.694 -0.961 0.872 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.275 -1.395 -1.889 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.179 0.029 0.058 1.00 0.00 C ATOM 385 CH2 TRP A 28 4.973 -0.193 -1.311 1.00 0.00 C ATOM 0 H TRP A 28 8.508 -1.662 1.155 1.00 0.00 H new ATOM 0 HA TRP A 28 8.443 -3.183 3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.915 -4.772 2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.199 -3.249 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.996 -5.300 -0.169 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.140 -4.102 -2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.848 -0.781 1.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.116 -1.563 -2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.931 0.990 0.483 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.568 0.601 -1.921 1.00 0.00 H new ATOM 396 N PRO A 29 9.809 -5.088 2.725 1.00 0.00 N ATOM 397 CA PRO A 29 10.836 -6.027 2.265 1.00 0.00 C ATOM 398 C PRO A 29 10.348 -6.902 1.115 1.00 0.00 C ATOM 399 O PRO A 29 9.183 -7.296 1.075 1.00 0.00 O ATOM 400 CB PRO A 29 11.117 -6.880 3.504 1.00 0.00 C ATOM 401 CG PRO A 29 9.866 -6.803 4.309 1.00 0.00 C ATOM 402 CD PRO A 29 9.299 -5.433 4.062 1.00 0.00 C ATOM 0 HA PRO A 29 11.715 -5.512 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.350 -7.909 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.971 -6.497 4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.160 -7.577 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.074 -6.954 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.209 -5.439 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.631 -4.719 4.815 1.00 0.00 H new ATOM 410 N GLN A 30 11.247 -7.202 0.183 1.00 0.00 N ATOM 411 CA GLN A 30 10.907 -8.030 -0.968 1.00 0.00 C ATOM 412 C GLN A 30 10.761 -9.493 -0.561 1.00 0.00 C ATOM 413 O GLN A 30 11.594 -10.049 0.155 1.00 0.00 O ATOM 414 CB GLN A 30 11.974 -7.894 -2.055 1.00 0.00 C ATOM 415 CG GLN A 30 11.518 -8.384 -3.420 1.00 0.00 C ATOM 416 CD GLN A 30 12.476 -7.996 -4.529 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.075 -8.856 -5.176 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.626 -6.696 -4.754 1.00 0.00 N ATOM 0 H GLN A 30 12.216 -6.884 0.202 1.00 0.00 H new ATOM 0 HA GLN A 30 9.952 -7.684 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.269 -6.848 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.860 -8.453 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.415 -9.469 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.531 -7.975 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.109 -6.018 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.258 -6.375 -5.488 1.00 0.00 H new ATOM 427 N PRO A 31 9.679 -10.133 -1.028 1.00 0.00 N ATOM 428 CA PRO A 31 9.399 -11.540 -0.726 1.00 0.00 C ATOM 429 C PRO A 31 10.376 -12.486 -1.415 1.00 0.00 C ATOM 430 O PRO A 31 10.986 -12.135 -2.424 1.00 0.00 O ATOM 431 CB PRO A 31 7.983 -11.744 -1.269 1.00 0.00 C ATOM 432 CG PRO A 31 7.834 -10.716 -2.337 1.00 0.00 C ATOM 433 CD PRO A 31 8.644 -9.532 -1.887 1.00 0.00 C ATOM 0 HA PRO A 31 9.497 -11.756 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.853 -12.750 -1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.236 -11.612 -0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.193 -11.093 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.787 -10.444 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.082 -9.000 -2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.035 -8.813 -1.339 1.00 0.00 H new ATOM 441 N GLU A 32 10.518 -13.687 -0.863 1.00 0.00 N ATOM 442 CA GLU A 32 11.422 -14.683 -1.426 1.00 0.00 C ATOM 443 C GLU A 32 10.642 -15.851 -2.022 1.00 0.00 C ATOM 444 O GLU A 32 11.204 -16.695 -2.720 1.00 0.00 O ATOM 445 CB GLU A 32 12.386 -15.194 -0.353 1.00 0.00 C ATOM 446 CG GLU A 32 13.380 -14.148 0.120 1.00 0.00 C ATOM 447 CD GLU A 32 13.942 -14.456 1.494 1.00 0.00 C ATOM 448 OE1 GLU A 32 13.211 -14.266 2.489 1.00 0.00 O ATOM 449 OE2 GLU A 32 15.111 -14.886 1.576 1.00 0.00 O ATOM 0 H GLU A 32 10.019 -13.993 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 32 11.995 -14.207 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.810 -15.548 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.933 -16.051 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.199 -14.080 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.893 -13.173 0.141 1.00 0.00 H new ATOM 456 N GLN A 33 9.343 -15.892 -1.741 1.00 0.00 N ATOM 457 CA GLN A 33 8.486 -16.957 -2.249 1.00 0.00 C ATOM 458 C GLN A 33 7.385 -16.391 -3.140 1.00 0.00 C ATOM 459 O GLN A 33 6.215 -16.759 -3.032 1.00 0.00 O ATOM 460 CB GLN A 33 7.867 -17.739 -1.088 1.00 0.00 C ATOM 461 CG GLN A 33 8.862 -18.618 -0.348 1.00 0.00 C ATOM 462 CD GLN A 33 9.887 -19.246 -1.272 1.00 0.00 C ATOM 463 OE1 GLN A 33 9.599 -20.224 -1.963 1.00 0.00 O ATOM 464 NE2 GLN A 33 11.090 -18.685 -1.291 1.00 0.00 N ATOM 0 H GLN A 33 8.862 -15.201 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 33 9.101 -17.631 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.422 -17.036 -0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.059 -18.362 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.376 -18.023 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.323 -19.405 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.285 -17.876 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.820 -19.063 -1.895 1.00 0.00 H new ATOM 473 N PRO A 34 7.766 -15.475 -4.043 1.00 0.00 N ATOM 474 CA PRO A 34 6.826 -14.840 -4.971 1.00 0.00 C ATOM 475 C PRO A 34 6.310 -15.810 -6.028 1.00 0.00 C ATOM 476 O PRO A 34 5.517 -15.437 -6.891 1.00 0.00 O ATOM 477 CB PRO A 34 7.662 -13.735 -5.621 1.00 0.00 C ATOM 478 CG PRO A 34 9.070 -14.211 -5.511 1.00 0.00 C ATOM 479 CD PRO A 34 9.144 -14.990 -4.227 1.00 0.00 C ATOM 0 HA PRO A 34 5.934 -14.475 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.376 -13.582 -6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.525 -12.782 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.338 -14.836 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.766 -13.372 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.854 -15.814 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.464 -14.363 -3.395 1.00 0.00 H new ATOM 487 N ASN A 35 6.765 -17.056 -5.954 1.00 0.00 N ATOM 488 CA ASN A 35 6.349 -18.080 -6.905 1.00 0.00 C ATOM 489 C ASN A 35 6.399 -17.547 -8.334 1.00 0.00 C ATOM 490 O ASN A 35 5.637 -17.982 -9.196 1.00 0.00 O ATOM 491 CB ASN A 35 4.934 -18.564 -6.579 1.00 0.00 C ATOM 492 CG ASN A 35 4.897 -19.453 -5.350 1.00 0.00 C ATOM 493 OD1 ASN A 35 4.571 -20.637 -5.437 1.00 0.00 O ATOM 494 ND2 ASN A 35 5.231 -18.884 -4.198 1.00 0.00 N ATOM 0 H ASN A 35 7.422 -17.381 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 35 7.041 -18.919 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.285 -17.702 -6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.534 -19.111 -7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.224 -19.432 -3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.495 -17.899 -4.173 1.00 0.00 H new ATOM 501 N GLY A 36 7.303 -16.603 -8.576 1.00 0.00 N ATOM 502 CA GLY A 36 7.436 -16.027 -9.902 1.00 0.00 C ATOM 503 C GLY A 36 7.840 -14.566 -9.861 1.00 0.00 C ATOM 504 O GLY A 36 7.765 -13.924 -8.813 1.00 0.00 O ATOM 0 H GLY A 36 7.945 -16.227 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.179 -16.591 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.490 -16.124 -10.434 1.00 0.00 H new ATOM 508 N ILE A 37 8.271 -14.041 -11.003 1.00 0.00 N ATOM 509 CA ILE A 37 8.688 -12.648 -11.093 1.00 0.00 C ATOM 510 C ILE A 37 7.583 -11.711 -10.619 1.00 0.00 C ATOM 511 O ILE A 37 6.404 -11.937 -10.894 1.00 0.00 O ATOM 512 CB ILE A 37 9.084 -12.270 -12.532 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.443 -12.877 -12.887 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.114 -10.757 -12.694 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.522 -12.578 -11.870 1.00 0.00 C ATOM 0 H ILE A 37 8.340 -14.560 -11.879 1.00 0.00 H new ATOM 0 HA ILE A 37 9.557 -12.537 -10.445 1.00 0.00 H new ATOM 0 HB ILE A 37 8.338 -12.674 -13.216 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.335 -13.957 -12.984 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.757 -12.500 -13.860 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.396 -10.506 -13.717 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.127 -10.348 -12.479 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.841 -10.331 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.458 -13.039 -12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.658 -11.499 -11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.229 -12.980 -10.900 1.00 0.00 H new ATOM 527 N ILE A 38 7.971 -10.658 -9.907 1.00 0.00 N ATOM 528 CA ILE A 38 7.013 -9.685 -9.397 1.00 0.00 C ATOM 529 C ILE A 38 6.949 -8.455 -10.296 1.00 0.00 C ATOM 530 O ILE A 38 7.817 -7.583 -10.238 1.00 0.00 O ATOM 531 CB ILE A 38 7.367 -9.243 -7.965 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.403 -10.453 -7.029 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.367 -8.210 -7.467 1.00 0.00 C ATOM 534 CD1 ILE A 38 8.347 -10.284 -5.859 1.00 0.00 C ATOM 0 H ILE A 38 8.943 -10.457 -9.670 1.00 0.00 H new ATOM 0 HA ILE A 38 6.040 -10.176 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 38 8.357 -8.786 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.398 -10.639 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.698 -11.334 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.631 -7.907 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.387 -7.339 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.366 -8.642 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.321 -11.180 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.360 -10.128 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.041 -9.422 -5.266 1.00 0.00 H new ATOM 546 N LEU A 39 5.913 -8.389 -11.125 1.00 0.00 N ATOM 547 CA LEU A 39 5.733 -7.263 -12.036 1.00 0.00 C ATOM 548 C LEU A 39 5.792 -5.938 -11.282 1.00 0.00 C ATOM 549 O LEU A 39 6.680 -5.119 -11.516 1.00 0.00 O ATOM 550 CB LEU A 39 4.397 -7.386 -12.772 1.00 0.00 C ATOM 551 CG LEU A 39 4.143 -8.715 -13.484 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.653 -9.014 -13.539 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.736 -8.690 -14.885 1.00 0.00 C ATOM 0 H LEU A 39 5.185 -9.101 -11.185 1.00 0.00 H new ATOM 0 HA LEU A 39 6.544 -7.282 -12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.593 -7.222 -12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.336 -6.585 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 39 4.631 -9.509 -12.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.491 -9.964 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.256 -9.074 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.142 -8.219 -14.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.546 -9.644 -15.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.276 -7.887 -15.460 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.811 -8.522 -14.822 1.00 0.00 H new ATOM 565 N ASP A 40 4.841 -5.736 -10.376 1.00 0.00 N ATOM 566 CA ASP A 40 4.786 -4.512 -9.586 1.00 0.00 C ATOM 567 C ASP A 40 4.009 -4.736 -8.292 1.00 0.00 C ATOM 568 O ASP A 40 3.491 -5.825 -8.047 1.00 0.00 O ATOM 569 CB ASP A 40 4.142 -3.386 -10.394 1.00 0.00 C ATOM 570 CG ASP A 40 2.798 -3.784 -10.973 1.00 0.00 C ATOM 571 OD1 ASP A 40 2.773 -4.645 -11.878 1.00 0.00 O ATOM 572 OD2 ASP A 40 1.772 -3.236 -10.521 1.00 0.00 O ATOM 0 H ASP A 40 4.098 -6.404 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 40 5.807 -4.227 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.015 -2.512 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.811 -3.095 -11.204 1.00 0.00 H new ATOM 577 N TYR A 41 3.933 -3.697 -7.467 1.00 0.00 N ATOM 578 CA TYR A 41 3.222 -3.781 -6.197 1.00 0.00 C ATOM 579 C TYR A 41 2.063 -2.790 -6.155 1.00 0.00 C ATOM 580 O TYR A 41 2.203 -1.637 -6.563 1.00 0.00 O ATOM 581 CB TYR A 41 4.180 -3.513 -5.034 1.00 0.00 C ATOM 582 CG TYR A 41 5.344 -4.476 -4.975 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.521 -4.217 -5.667 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.267 -5.644 -4.227 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.587 -5.094 -5.616 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.329 -6.526 -4.169 1.00 0.00 C ATOM 587 CZ TYR A 41 7.487 -6.246 -4.865 1.00 0.00 C ATOM 588 OH TYR A 41 8.546 -7.123 -4.811 1.00 0.00 O ATOM 0 H TYR A 41 4.355 -2.788 -7.655 1.00 0.00 H new ATOM 0 HA TYR A 41 2.818 -4.789 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.564 -2.496 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.626 -3.568 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.604 -3.315 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.362 -5.866 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.494 -4.878 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.253 -7.429 -3.582 1.00 0.00 H new ATOM 0 HH TYR A 41 9.354 -6.643 -4.533 1.00 0.00 H new ATOM 598 N GLU A 42 0.919 -3.248 -5.657 1.00 0.00 N ATOM 599 CA GLU A 42 -0.265 -2.402 -5.561 1.00 0.00 C ATOM 600 C GLU A 42 -0.451 -1.885 -4.137 1.00 0.00 C ATOM 601 O GLU A 42 -0.148 -2.582 -3.169 1.00 0.00 O ATOM 602 CB GLU A 42 -1.509 -3.176 -6.001 1.00 0.00 C ATOM 603 CG GLU A 42 -2.799 -2.386 -5.860 1.00 0.00 C ATOM 604 CD GLU A 42 -3.451 -2.570 -4.504 1.00 0.00 C ATOM 605 OE1 GLU A 42 -4.009 -3.659 -4.255 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.404 -1.623 -3.690 1.00 0.00 O ATOM 0 H GLU A 42 0.787 -4.199 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.124 -1.548 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.390 -3.478 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.586 -4.089 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.592 -1.328 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.496 -2.694 -6.639 1.00 0.00 H new ATOM 613 N ILE A 43 -0.949 -0.659 -4.020 1.00 0.00 N ATOM 614 CA ILE A 43 -1.175 -0.049 -2.715 1.00 0.00 C ATOM 615 C ILE A 43 -2.579 0.539 -2.620 1.00 0.00 C ATOM 616 O ILE A 43 -2.953 1.409 -3.406 1.00 0.00 O ATOM 617 CB ILE A 43 -0.146 1.059 -2.426 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.262 0.467 -2.336 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.502 1.790 -1.140 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.976 0.400 -3.668 1.00 0.00 C ATOM 0 H ILE A 43 -1.204 -0.069 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.063 -0.839 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.166 1.776 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.855 1.065 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.199 -0.537 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.235 2.570 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.490 2.240 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.506 1.084 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.968 -0.030 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.404 -0.223 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.071 1.404 -4.081 1.00 0.00 H new ATOM 632 N ARG A 44 -3.351 0.059 -1.650 1.00 0.00 N ATOM 633 CA ARG A 44 -4.714 0.538 -1.451 1.00 0.00 C ATOM 634 C ARG A 44 -4.837 1.294 -0.132 1.00 0.00 C ATOM 635 O ARG A 44 -4.649 0.723 0.943 1.00 0.00 O ATOM 636 CB ARG A 44 -5.697 -0.634 -1.473 1.00 0.00 C ATOM 637 CG ARG A 44 -7.148 -0.215 -1.305 1.00 0.00 C ATOM 638 CD ARG A 44 -8.099 -1.356 -1.630 1.00 0.00 C ATOM 639 NE ARG A 44 -9.374 -0.874 -2.154 1.00 0.00 N ATOM 640 CZ ARG A 44 -10.401 -1.668 -2.433 1.00 0.00 C ATOM 641 NH1 ARG A 44 -10.305 -2.976 -2.239 1.00 0.00 N ATOM 642 NH2 ARG A 44 -11.529 -1.154 -2.908 1.00 0.00 N ATOM 0 H ARG A 44 -3.056 -0.661 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.955 1.221 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.589 -1.170 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.435 -1.332 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.315 0.119 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.360 0.633 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.634 -2.018 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.277 -1.947 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.482 0.128 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.440 -3.375 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.096 -3.583 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.607 -0.148 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.317 -1.765 -3.122 1.00 0.00 H new ATOM 656 N TYR A 45 -5.153 2.581 -0.221 1.00 0.00 N ATOM 657 CA TYR A 45 -5.299 3.417 0.965 1.00 0.00 C ATOM 658 C TYR A 45 -6.707 3.998 1.053 1.00 0.00 C ATOM 659 O TYR A 45 -7.274 4.436 0.052 1.00 0.00 O ATOM 660 CB TYR A 45 -4.269 4.548 0.947 1.00 0.00 C ATOM 661 CG TYR A 45 -4.339 5.412 -0.291 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.711 5.025 -1.469 1.00 0.00 C ATOM 663 CD2 TYR A 45 -5.033 6.615 -0.284 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.773 5.812 -2.603 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.101 7.408 -1.414 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.469 7.002 -2.571 1.00 0.00 C ATOM 667 OH TYR A 45 -4.533 7.789 -3.698 1.00 0.00 O ATOM 0 H TYR A 45 -5.313 3.068 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.128 2.792 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.416 5.175 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.270 4.119 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.165 4.093 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.528 6.936 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.279 5.497 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.646 8.340 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.062 8.591 -3.507 1.00 0.00 H new ATOM 677 N TYR A 46 -7.265 3.998 2.258 1.00 0.00 N ATOM 678 CA TYR A 46 -8.607 4.523 2.479 1.00 0.00 C ATOM 679 C TYR A 46 -8.754 5.062 3.899 1.00 0.00 C ATOM 680 O TYR A 46 -8.296 4.445 4.859 1.00 0.00 O ATOM 681 CB TYR A 46 -9.651 3.435 2.224 1.00 0.00 C ATOM 682 CG TYR A 46 -9.523 2.244 3.147 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.061 2.272 4.428 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.864 1.091 2.738 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.945 1.186 5.274 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.745 0.000 3.577 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.287 0.053 4.845 1.00 0.00 C ATOM 688 OH TYR A 46 -9.171 -1.031 5.685 1.00 0.00 O ATOM 0 H TYR A 46 -6.809 3.640 3.097 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.769 5.343 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.646 3.865 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.565 3.095 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.578 3.157 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.437 1.047 1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.368 1.224 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.231 -0.889 3.243 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.681 -1.747 5.229 1.00 0.00 H new ATOM 698 N GLU A 47 -9.399 6.218 4.021 1.00 0.00 N ATOM 699 CA GLU A 47 -9.607 6.842 5.323 1.00 0.00 C ATOM 700 C GLU A 47 -10.093 5.818 6.345 1.00 0.00 C ATOM 701 O GLU A 47 -10.922 4.961 6.037 1.00 0.00 O ATOM 702 CB GLU A 47 -10.618 7.985 5.210 1.00 0.00 C ATOM 703 CG GLU A 47 -10.077 9.207 4.487 1.00 0.00 C ATOM 704 CD GLU A 47 -10.293 9.141 2.988 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.171 8.370 2.547 1.00 0.00 O ATOM 706 OE2 GLU A 47 -9.583 9.860 2.255 1.00 0.00 O ATOM 0 H GLU A 47 -9.786 6.741 3.235 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.652 7.244 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.503 7.625 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.937 8.277 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.560 10.101 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.011 9.304 4.693 1.00 0.00 H new ATOM 713 N LYS A 48 -9.569 5.912 7.563 1.00 0.00 N ATOM 714 CA LYS A 48 -9.948 4.996 8.632 1.00 0.00 C ATOM 715 C LYS A 48 -11.458 5.003 8.845 1.00 0.00 C ATOM 716 O LYS A 48 -12.042 3.997 9.247 1.00 0.00 O ATOM 717 CB LYS A 48 -9.236 5.375 9.932 1.00 0.00 C ATOM 718 CG LYS A 48 -9.153 4.237 10.935 1.00 0.00 C ATOM 719 CD LYS A 48 -7.997 4.429 11.902 1.00 0.00 C ATOM 720 CE LYS A 48 -8.109 3.495 13.097 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.691 2.107 12.758 1.00 0.00 N ATOM 0 H LYS A 48 -8.880 6.614 7.834 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.646 3.990 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.227 5.716 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.758 6.215 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.088 4.173 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.032 3.292 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.055 4.248 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.978 5.463 12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.490 3.872 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.138 3.487 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.782 1.502 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.298 1.738 11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.701 2.111 12.440 1.00 0.00 H new ATOM 735 N GLU A 49 -12.084 6.144 8.572 1.00 0.00 N ATOM 736 CA GLU A 49 -13.527 6.280 8.735 1.00 0.00 C ATOM 737 C GLU A 49 -14.250 6.009 7.419 1.00 0.00 C ATOM 738 O GLU A 49 -15.416 6.370 7.253 1.00 0.00 O ATOM 739 CB GLU A 49 -13.875 7.681 9.242 1.00 0.00 C ATOM 740 CG GLU A 49 -13.419 7.944 10.667 1.00 0.00 C ATOM 741 CD GLU A 49 -13.565 9.399 11.068 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.713 9.883 11.139 1.00 0.00 O ATOM 743 OE2 GLU A 49 -12.529 10.053 11.310 1.00 0.00 O ATOM 0 H GLU A 49 -11.615 6.986 8.238 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.856 5.544 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.421 8.420 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.954 7.822 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.998 7.323 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.376 7.645 10.772 1.00 0.00 H new ATOM 750 N HIS A 50 -13.550 5.372 6.485 1.00 0.00 N ATOM 751 CA HIS A 50 -14.125 5.053 5.184 1.00 0.00 C ATOM 752 C HIS A 50 -14.043 3.555 4.906 1.00 0.00 C ATOM 753 O HIS A 50 -13.580 2.783 5.746 1.00 0.00 O ATOM 754 CB HIS A 50 -13.404 5.828 4.080 1.00 0.00 C ATOM 755 CG HIS A 50 -13.845 7.254 3.964 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.989 7.902 2.755 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.175 8.159 4.915 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.388 9.143 2.968 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.509 9.324 4.271 1.00 0.00 N ATOM 0 H HIS A 50 -12.584 5.067 6.606 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.175 5.346 5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.331 5.802 4.271 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.570 5.326 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.175 7.995 5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.582 9.884 2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.803 10.189 4.725 1.00 0.00 H new ATOM 768 N ASN A 51 -14.496 3.151 3.724 1.00 0.00 N ATOM 769 CA ASN A 51 -14.474 1.745 3.337 1.00 0.00 C ATOM 770 C ASN A 51 -13.566 1.526 2.131 1.00 0.00 C ATOM 771 O ASN A 51 -13.018 2.477 1.574 1.00 0.00 O ATOM 772 CB ASN A 51 -15.890 1.261 3.018 1.00 0.00 C ATOM 773 CG ASN A 51 -16.612 2.182 2.054 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.987 2.862 1.240 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.937 2.209 2.142 1.00 0.00 N ATOM 0 H ASN A 51 -14.883 3.777 3.018 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.080 1.170 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.841 0.259 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.462 1.186 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.477 2.810 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.414 1.629 2.832 1.00 0.00 H new ATOM 782 N GLU A 52 -13.412 0.267 1.733 1.00 0.00 N ATOM 783 CA GLU A 52 -12.570 -0.076 0.593 1.00 0.00 C ATOM 784 C GLU A 52 -13.188 0.423 -0.710 1.00 0.00 C ATOM 785 O GLU A 52 -12.509 1.025 -1.541 1.00 0.00 O ATOM 786 CB GLU A 52 -12.360 -1.590 0.523 1.00 0.00 C ATOM 787 CG GLU A 52 -11.768 -2.182 1.792 1.00 0.00 C ATOM 788 CD GLU A 52 -10.948 -3.429 1.526 1.00 0.00 C ATOM 789 OE1 GLU A 52 -10.027 -3.365 0.686 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.228 -4.469 2.158 1.00 0.00 O ATOM 0 H GLU A 52 -13.859 -0.532 2.183 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.605 0.412 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.316 -2.072 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.702 -1.819 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.140 -1.435 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.573 -2.422 2.486 1.00 0.00 H new ATOM 797 N PHE A 53 -14.481 0.169 -0.880 1.00 0.00 N ATOM 798 CA PHE A 53 -15.192 0.591 -2.081 1.00 0.00 C ATOM 799 C PHE A 53 -14.766 1.995 -2.500 1.00 0.00 C ATOM 800 O PHE A 53 -14.313 2.208 -3.624 1.00 0.00 O ATOM 801 CB PHE A 53 -16.703 0.553 -1.845 1.00 0.00 C ATOM 802 CG PHE A 53 -17.502 0.386 -3.106 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.274 -0.690 -3.949 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.482 1.304 -3.447 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.008 -0.845 -5.110 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.220 1.153 -4.607 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.982 0.077 -5.439 1.00 0.00 C ATOM 0 H PHE A 53 -15.058 -0.327 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.940 -0.101 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.936 -0.267 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.009 1.475 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.515 -1.415 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.672 2.147 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.820 -1.687 -5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.981 1.876 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.557 -0.043 -6.346 1.00 0.00 H new ATOM 817 N ASN A 54 -14.916 2.949 -1.587 1.00 0.00 N ATOM 818 CA ASN A 54 -14.549 4.334 -1.861 1.00 0.00 C ATOM 819 C ASN A 54 -13.099 4.599 -1.470 1.00 0.00 C ATOM 820 O ASN A 54 -12.826 5.345 -0.529 1.00 0.00 O ATOM 821 CB ASN A 54 -15.476 5.288 -1.106 1.00 0.00 C ATOM 822 CG ASN A 54 -16.699 5.669 -1.918 1.00 0.00 C ATOM 823 OD1 ASN A 54 -17.308 4.826 -2.576 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.064 6.946 -1.874 1.00 0.00 N ATOM 0 H ASN A 54 -15.289 2.789 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.655 4.507 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.793 4.820 -0.174 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.925 6.190 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.879 7.262 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.529 7.610 -1.315 1.00 0.00 H new ATOM 831 N SER A 55 -12.172 3.985 -2.198 1.00 0.00 N ATOM 832 CA SER A 55 -10.750 4.152 -1.926 1.00 0.00 C ATOM 833 C SER A 55 -9.970 4.368 -3.219 1.00 0.00 C ATOM 834 O SER A 55 -10.534 4.316 -4.313 1.00 0.00 O ATOM 835 CB SER A 55 -10.204 2.929 -1.186 1.00 0.00 C ATOM 836 OG SER A 55 -10.064 1.824 -2.061 1.00 0.00 O ATOM 0 H SER A 55 -12.381 3.367 -2.982 1.00 0.00 H new ATOM 0 HA SER A 55 -10.627 5.034 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.238 3.170 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.874 2.666 -0.368 1.00 0.00 H new ATOM 0 HG SER A 55 -10.856 1.251 -1.994 1.00 0.00 H new ATOM 842 N SER A 56 -8.670 4.612 -3.086 1.00 0.00 N ATOM 843 CA SER A 56 -7.813 4.840 -4.243 1.00 0.00 C ATOM 844 C SER A 56 -6.621 3.887 -4.232 1.00 0.00 C ATOM 845 O SER A 56 -5.957 3.717 -3.210 1.00 0.00 O ATOM 846 CB SER A 56 -7.321 6.288 -4.262 1.00 0.00 C ATOM 847 OG SER A 56 -8.395 7.188 -4.474 1.00 0.00 O ATOM 0 H SER A 56 -8.188 4.657 -2.188 1.00 0.00 H new ATOM 0 HA SER A 56 -8.400 4.651 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.828 6.521 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.577 6.413 -5.049 1.00 0.00 H new ATOM 0 HG SER A 56 -8.055 8.107 -4.480 1.00 0.00 H new ATOM 853 N MET A 57 -6.357 3.267 -5.378 1.00 0.00 N ATOM 854 CA MET A 57 -5.245 2.332 -5.502 1.00 0.00 C ATOM 855 C MET A 57 -4.068 2.979 -6.225 1.00 0.00 C ATOM 856 O MET A 57 -4.254 3.831 -7.094 1.00 0.00 O ATOM 857 CB MET A 57 -5.690 1.074 -6.250 1.00 0.00 C ATOM 858 CG MET A 57 -6.775 0.290 -5.530 1.00 0.00 C ATOM 859 SD MET A 57 -7.233 -1.222 -6.400 1.00 0.00 S ATOM 860 CE MET A 57 -6.383 -2.451 -5.413 1.00 0.00 C ATOM 0 H MET A 57 -6.898 3.395 -6.233 1.00 0.00 H new ATOM 0 HA MET A 57 -4.923 2.054 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.053 1.358 -7.238 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.826 0.427 -6.402 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.431 0.037 -4.527 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.657 0.920 -5.415 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.598 -2.917 -6.009 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.940 -1.973 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.093 -3.212 -5.089 1.00 0.00 H new ATOM 870 N ALA A 58 -2.858 2.569 -5.861 1.00 0.00 N ATOM 871 CA ALA A 58 -1.651 3.108 -6.477 1.00 0.00 C ATOM 872 C ALA A 58 -0.600 2.020 -6.669 1.00 0.00 C ATOM 873 O ALA A 58 -0.244 1.315 -5.725 1.00 0.00 O ATOM 874 CB ALA A 58 -1.091 4.244 -5.634 1.00 0.00 C ATOM 0 H ALA A 58 -2.687 1.865 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.916 3.497 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.190 4.637 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.834 5.037 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.847 3.872 -4.639 1.00 0.00 H new ATOM 880 N ARG A 59 -0.108 1.889 -7.896 1.00 0.00 N ATOM 881 CA ARG A 59 0.902 0.886 -8.212 1.00 0.00 C ATOM 882 C ARG A 59 2.306 1.471 -8.093 1.00 0.00 C ATOM 883 O ARG A 59 2.486 2.688 -8.122 1.00 0.00 O ATOM 884 CB ARG A 59 0.684 0.338 -9.623 1.00 0.00 C ATOM 885 CG ARG A 59 -0.412 -0.712 -9.707 1.00 0.00 C ATOM 886 CD ARG A 59 -1.790 -0.075 -9.784 1.00 0.00 C ATOM 887 NE ARG A 59 -2.857 -1.072 -9.764 1.00 0.00 N ATOM 888 CZ ARG A 59 -4.141 -0.772 -9.607 1.00 0.00 C ATOM 889 NH1 ARG A 59 -4.517 0.490 -9.457 1.00 0.00 N ATOM 890 NH2 ARG A 59 -5.053 -1.736 -9.601 1.00 0.00 N ATOM 0 H ARG A 59 -0.392 2.465 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 59 0.805 0.071 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.436 1.164 -10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.617 -0.094 -9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.250 -1.339 -10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.360 -1.364 -8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.919 0.611 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.865 0.517 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.602 -2.053 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.819 1.234 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.504 0.717 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.768 -2.708 -9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.039 -1.504 -9.480 1.00 0.00 H new ATOM 904 N SER A 60 3.297 0.595 -7.958 1.00 0.00 N ATOM 905 CA SER A 60 4.684 1.025 -7.830 1.00 0.00 C ATOM 906 C SER A 60 5.630 -0.002 -8.447 1.00 0.00 C ATOM 907 O SER A 60 5.460 -1.206 -8.262 1.00 0.00 O ATOM 908 CB SER A 60 5.040 1.243 -6.358 1.00 0.00 C ATOM 909 OG SER A 60 6.344 1.780 -6.222 1.00 0.00 O ATOM 0 H SER A 60 3.165 -0.416 -7.934 1.00 0.00 H new ATOM 0 HA SER A 60 4.797 1.967 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.316 1.918 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.975 0.297 -5.821 1.00 0.00 H new ATOM 0 HG SER A 60 6.798 1.349 -5.468 1.00 0.00 H new ATOM 915 N GLN A 61 6.626 0.485 -9.179 1.00 0.00 N ATOM 916 CA GLN A 61 7.599 -0.389 -9.824 1.00 0.00 C ATOM 917 C GLN A 61 8.716 -0.766 -8.857 1.00 0.00 C ATOM 918 O GLN A 61 9.812 -1.144 -9.274 1.00 0.00 O ATOM 919 CB GLN A 61 8.186 0.291 -11.061 1.00 0.00 C ATOM 920 CG GLN A 61 7.205 0.406 -12.216 1.00 0.00 C ATOM 921 CD GLN A 61 7.894 0.636 -13.547 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.432 1.714 -13.803 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.881 -0.379 -14.403 1.00 0.00 N ATOM 0 H GLN A 61 6.781 1.480 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 61 7.085 -1.300 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.531 1.288 -10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.060 -0.269 -11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.608 -0.504 -12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.515 1.227 -12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.423 -1.254 -14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.329 -0.283 -15.314 1.00 0.00 H new ATOM 932 N THR A 62 8.433 -0.661 -7.562 1.00 0.00 N ATOM 933 CA THR A 62 9.414 -0.990 -6.536 1.00 0.00 C ATOM 934 C THR A 62 8.736 -1.302 -5.207 1.00 0.00 C ATOM 935 O THR A 62 7.521 -1.169 -5.073 1.00 0.00 O ATOM 936 CB THR A 62 10.418 0.160 -6.330 1.00 0.00 C ATOM 937 OG1 THR A 62 11.162 -0.049 -5.125 1.00 0.00 O ATOM 938 CG2 THR A 62 9.700 1.500 -6.262 1.00 0.00 C ATOM 0 H THR A 62 7.532 -0.350 -7.199 1.00 0.00 H new ATOM 0 HA THR A 62 9.950 -1.873 -6.883 1.00 0.00 H new ATOM 0 HB THR A 62 11.100 0.174 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.989 0.477 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.429 2.297 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.158 1.670 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.997 1.494 -5.429 1.00 0.00 H new ATOM 946 N ASN A 63 9.531 -1.716 -4.225 1.00 0.00 N ATOM 947 CA ASN A 63 9.006 -2.047 -2.905 1.00 0.00 C ATOM 948 C ASN A 63 8.800 -0.787 -2.071 1.00 0.00 C ATOM 949 O ASN A 63 8.621 -0.856 -0.854 1.00 0.00 O ATOM 950 CB ASN A 63 9.957 -3.003 -2.181 1.00 0.00 C ATOM 951 CG ASN A 63 9.655 -4.458 -2.484 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.888 -4.933 -3.596 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.135 -5.173 -1.494 1.00 0.00 N ATOM 0 H ASN A 63 10.540 -1.830 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 63 8.041 -2.536 -3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.983 -2.780 -2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.887 -2.836 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.912 -6.158 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.959 -4.738 -0.589 1.00 0.00 H new ATOM 960 N THR A 64 8.826 0.366 -2.732 1.00 0.00 N ATOM 961 CA THR A 64 8.643 1.642 -2.053 1.00 0.00 C ATOM 962 C THR A 64 7.715 2.558 -2.843 1.00 0.00 C ATOM 963 O THR A 64 7.956 2.837 -4.017 1.00 0.00 O ATOM 964 CB THR A 64 9.989 2.359 -1.832 1.00 0.00 C ATOM 965 OG1 THR A 64 9.761 3.717 -1.440 1.00 0.00 O ATOM 966 CG2 THR A 64 10.833 2.326 -3.097 1.00 0.00 C ATOM 0 H THR A 64 8.972 0.442 -3.739 1.00 0.00 H new ATOM 0 HA THR A 64 8.193 1.423 -1.085 1.00 0.00 H new ATOM 0 HB THR A 64 10.528 1.838 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.621 4.166 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.778 2.838 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.029 1.291 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.298 2.825 -3.905 1.00 0.00 H new ATOM 974 N ALA A 65 6.655 3.023 -2.190 1.00 0.00 N ATOM 975 CA ALA A 65 5.692 3.910 -2.832 1.00 0.00 C ATOM 976 C ALA A 65 5.144 4.932 -1.842 1.00 0.00 C ATOM 977 O ALA A 65 4.782 4.589 -0.717 1.00 0.00 O ATOM 978 CB ALA A 65 4.557 3.103 -3.443 1.00 0.00 C ATOM 0 H ALA A 65 6.441 2.801 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 65 6.206 4.451 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.846 3.778 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.959 2.416 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.052 2.536 -2.661 1.00 0.00 H new ATOM 984 N ARG A 66 5.086 6.190 -2.269 1.00 0.00 N ATOM 985 CA ARG A 66 4.584 7.263 -1.419 1.00 0.00 C ATOM 986 C ARG A 66 3.181 7.684 -1.848 1.00 0.00 C ATOM 987 O ARG A 66 2.899 7.819 -3.039 1.00 0.00 O ATOM 988 CB ARG A 66 5.527 8.466 -1.470 1.00 0.00 C ATOM 989 CG ARG A 66 4.897 9.755 -0.966 1.00 0.00 C ATOM 990 CD ARG A 66 5.774 10.959 -1.271 1.00 0.00 C ATOM 991 NE ARG A 66 4.993 12.188 -1.391 1.00 0.00 N ATOM 992 CZ ARG A 66 5.436 13.283 -2.000 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.646 13.302 -2.541 1.00 0.00 N ATOM 994 NH2 ARG A 66 4.666 14.362 -2.069 1.00 0.00 N ATOM 0 H ARG A 66 5.380 6.491 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 66 4.536 6.891 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.414 8.248 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.861 8.612 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.919 9.889 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.734 9.685 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.516 11.077 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.320 10.784 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 66 4.057 12.207 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.240 12.474 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.983 14.144 -3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.734 14.351 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.006 15.202 -2.536 1.00 0.00 H new ATOM 1008 N ILE A 67 2.306 7.888 -0.869 1.00 0.00 N ATOM 1009 CA ILE A 67 0.933 8.294 -1.145 1.00 0.00 C ATOM 1010 C ILE A 67 0.753 9.794 -0.944 1.00 0.00 C ATOM 1011 O ILE A 67 1.130 10.342 0.092 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.067 7.543 -0.246 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.366 6.086 -0.070 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.468 7.617 -0.836 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.152 5.238 -1.304 1.00 0.00 C ATOM 0 H ILE A 67 2.523 7.779 0.122 1.00 0.00 H new ATOM 0 HA ILE A 67 0.732 8.043 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.080 8.019 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.422 6.059 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.187 5.649 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.164 7.082 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.775 8.660 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.470 7.162 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.481 4.218 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.907 5.234 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.727 5.650 -2.133 1.00 0.00 H new ATOM 1027 N ASP A 68 0.172 10.453 -1.940 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.062 11.891 -1.872 1.00 0.00 C ATOM 1029 C ASP A 68 -1.546 12.208 -2.024 1.00 0.00 C ATOM 1030 O ASP A 68 -2.272 11.508 -2.728 1.00 0.00 O ATOM 1031 CB ASP A 68 0.739 12.612 -2.958 1.00 0.00 C ATOM 1032 CG ASP A 68 0.399 12.120 -4.351 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.604 12.599 -4.921 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.136 11.258 -4.872 1.00 0.00 O ATOM 0 H ASP A 68 -0.146 10.015 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 68 0.268 12.241 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.546 13.683 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.804 12.469 -2.775 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.991 13.268 -1.356 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.387 13.659 -1.428 1.00 0.00 C ATOM 1041 C GLY A 69 -4.177 13.217 -0.212 1.00 0.00 C ATOM 1042 O GLY A 69 -5.292 12.709 -0.337 1.00 0.00 O ATOM 0 H GLY A 69 -1.409 13.863 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.453 14.743 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.835 13.230 -2.324 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.597 13.407 0.968 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.254 13.023 2.213 1.00 0.00 C ATOM 1048 C LEU A 70 -4.501 14.241 3.097 1.00 0.00 C ATOM 1049 O LEU A 70 -4.221 15.373 2.703 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.403 11.998 2.965 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.828 10.856 2.125 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.786 10.083 2.918 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.939 9.929 1.655 1.00 0.00 C ATOM 0 H LEU A 70 -2.674 13.824 1.089 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.217 12.576 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.576 12.523 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.009 11.567 3.762 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.343 11.284 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.388 9.275 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.976 10.754 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.246 9.666 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.512 9.122 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.452 9.509 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.650 10.491 1.049 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.027 14.001 4.293 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.312 15.078 5.233 1.00 0.00 C ATOM 1067 C ARG A 71 -4.338 15.047 6.408 1.00 0.00 C ATOM 1068 O ARG A 71 -3.839 13.993 6.804 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.749 14.971 5.745 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.779 15.567 4.800 1.00 0.00 C ATOM 1071 CD ARG A 71 -9.020 16.029 5.548 1.00 0.00 C ATOM 1072 NE ARG A 71 -10.015 16.610 4.650 1.00 0.00 N ATOM 1073 CZ ARG A 71 -11.207 17.038 5.052 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -11.549 16.950 6.330 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -12.058 17.555 4.176 1.00 0.00 N ATOM 0 H ARG A 71 -5.265 13.070 4.634 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.191 16.025 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.988 13.921 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.820 15.473 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.340 16.410 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.059 14.826 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.459 15.184 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.737 16.765 6.300 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.782 16.692 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.897 16.553 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.464 17.279 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.798 17.624 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.973 17.883 4.486 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.060 16.228 6.979 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.145 16.362 8.115 1.00 0.00 C ATOM 1091 C PRO A 72 -3.720 15.768 9.396 1.00 0.00 C ATOM 1092 O PRO A 72 -4.918 15.873 9.658 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.976 17.877 8.258 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.217 18.454 7.670 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.619 17.524 6.559 1.00 0.00 C ATOM 0 HA PRO A 72 -2.209 15.828 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.862 18.166 9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.088 18.228 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.005 18.531 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.038 19.460 7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.702 17.477 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.213 17.845 5.600 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.858 15.143 10.193 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.300 14.541 11.437 1.00 0.00 C ATOM 1105 C GLY A 73 -4.404 13.523 11.229 1.00 0.00 C ATOM 1106 O GLY A 73 -5.308 13.401 12.055 1.00 0.00 O ATOM 0 H GLY A 73 -1.862 15.043 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.453 14.059 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.653 15.323 12.110 1.00 0.00 H new ATOM 1110 N MET A 74 -4.332 12.792 10.122 1.00 0.00 N ATOM 1111 CA MET A 74 -5.334 11.780 9.808 1.00 0.00 C ATOM 1112 C MET A 74 -4.681 10.421 9.577 1.00 0.00 C ATOM 1113 O MET A 74 -3.551 10.338 9.095 1.00 0.00 O ATOM 1114 CB MET A 74 -6.135 12.191 8.571 1.00 0.00 C ATOM 1115 CG MET A 74 -7.150 13.289 8.841 1.00 0.00 C ATOM 1116 SD MET A 74 -8.604 13.167 7.781 1.00 0.00 S ATOM 1117 CE MET A 74 -9.683 12.165 8.800 1.00 0.00 C ATOM 0 H MET A 74 -3.590 12.881 9.427 1.00 0.00 H new ATOM 0 HA MET A 74 -6.010 11.698 10.659 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.445 12.528 7.797 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.654 11.317 8.177 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.461 13.242 9.885 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.677 14.260 8.692 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.627 12.001 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.207 11.205 8.999 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.873 12.678 9.743 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.399 9.358 9.924 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.889 8.002 9.754 1.00 0.00 C ATOM 1129 C VAL A 75 -5.436 7.365 8.482 1.00 0.00 C ATOM 1130 O VAL A 75 -6.608 7.534 8.145 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.250 7.112 10.957 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.585 5.749 10.832 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.853 7.790 12.260 1.00 0.00 C ATOM 0 H VAL A 75 -6.336 9.409 10.325 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.804 8.078 9.681 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.330 6.964 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.852 5.134 11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.923 5.262 9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.503 5.874 10.797 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.116 7.147 13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.778 7.970 12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.381 8.739 12.352 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.581 6.632 7.779 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.978 5.970 6.542 1.00 0.00 C ATOM 1145 C TYR A 76 -4.487 4.526 6.515 1.00 0.00 C ATOM 1146 O TYR A 76 -3.289 4.262 6.614 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.428 6.729 5.333 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.133 8.041 5.070 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -5.004 9.110 5.947 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -5.928 8.210 3.942 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.648 10.309 5.710 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.574 9.406 3.697 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.431 10.453 4.584 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.073 11.646 4.344 1.00 0.00 O ATOM 0 H TYR A 76 -3.608 6.481 8.044 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.067 5.966 6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.366 6.921 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.512 6.097 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.390 9.002 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.042 7.392 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.539 11.130 6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.188 9.521 2.816 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.582 11.581 3.509 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.424 3.592 6.379 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.089 2.174 6.337 1.00 0.00 C ATOM 1166 C VAL A 77 -4.538 1.779 4.972 1.00 0.00 C ATOM 1167 O VAL A 77 -5.296 1.493 4.044 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.315 1.298 6.657 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.926 -0.172 6.696 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.947 1.726 7.973 1.00 0.00 C ATOM 0 H VAL A 77 -6.421 3.793 6.296 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.324 2.007 7.096 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.052 1.433 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.805 -0.775 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.524 -0.468 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.170 -0.328 7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.812 1.096 8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.219 1.622 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.264 2.766 7.903 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.214 1.765 4.855 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.561 1.404 3.603 1.00 0.00 C ATOM 1182 C VAL A 78 -2.102 -0.050 3.621 1.00 0.00 C ATOM 1183 O VAL A 78 -1.727 -0.579 4.668 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.348 2.310 3.321 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.785 2.033 1.935 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.732 3.774 3.466 1.00 0.00 C ATOM 0 H VAL A 78 -2.573 2.000 5.613 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.298 1.539 2.812 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.572 2.087 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.071 2.683 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.470 0.991 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.552 2.226 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.863 4.400 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.525 4.014 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.084 3.959 4.481 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.135 -0.690 2.457 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.723 -2.084 2.340 1.00 0.00 C ATOM 1198 C GLN A 79 -0.962 -2.319 1.040 1.00 0.00 C ATOM 1199 O GLN A 79 -0.995 -1.490 0.130 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.942 -3.006 2.406 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.610 -3.034 3.771 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.704 -4.079 3.864 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.887 -3.773 3.707 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.315 -5.323 4.119 1.00 0.00 N ATOM 0 H GLN A 79 -2.443 -0.266 1.582 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.059 -2.312 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.670 -2.686 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.637 -4.018 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.858 -3.232 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.032 -2.052 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.324 -5.532 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.007 -6.069 4.192 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.276 -3.455 0.958 1.00 0.00 N ATOM 1214 CA VAL A 80 0.493 -3.800 -0.231 1.00 0.00 C ATOM 1215 C VAL A 80 0.393 -5.291 -0.537 1.00 0.00 C ATOM 1216 O VAL A 80 0.267 -6.113 0.370 1.00 0.00 O ATOM 1217 CB VAL A 80 1.976 -3.418 -0.071 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.636 -4.275 0.999 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.707 -3.553 -1.399 1.00 0.00 C ATOM 0 H VAL A 80 -0.238 -4.152 1.702 1.00 0.00 H new ATOM 0 HA VAL A 80 0.067 -3.233 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 80 2.033 -2.376 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.684 -3.991 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.127 -4.124 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.570 -5.325 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.754 -3.279 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.643 -4.584 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.249 -2.893 -2.135 1.00 0.00 H new ATOM 1229 N ARG A 81 0.451 -5.631 -1.820 1.00 0.00 N ATOM 1230 CA ARG A 81 0.367 -7.023 -2.246 1.00 0.00 C ATOM 1231 C ARG A 81 1.353 -7.307 -3.375 1.00 0.00 C ATOM 1232 O ARG A 81 1.899 -6.386 -3.982 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.055 -7.354 -2.702 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.491 -6.590 -3.942 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.726 -7.212 -4.574 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.452 -6.259 -5.410 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.720 -6.417 -5.773 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.399 -7.483 -5.375 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.311 -5.506 -6.536 1.00 0.00 N ATOM 0 H ARG A 81 0.556 -4.962 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 81 0.625 -7.653 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.124 -8.423 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.748 -7.136 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.699 -5.553 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.677 -6.577 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.431 -8.071 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.386 -7.583 -3.790 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.958 -5.427 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.948 -8.185 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.373 -7.602 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.792 -4.684 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.285 -5.628 -6.814 1.00 0.00 H new ATOM 1253 N ALA A 82 1.577 -8.588 -3.650 1.00 0.00 N ATOM 1254 CA ALA A 82 2.496 -8.993 -4.707 1.00 0.00 C ATOM 1255 C ALA A 82 1.746 -9.630 -5.872 1.00 0.00 C ATOM 1256 O ALA A 82 1.134 -10.688 -5.724 1.00 0.00 O ATOM 1257 CB ALA A 82 3.539 -9.955 -4.158 1.00 0.00 C ATOM 0 H ALA A 82 1.135 -9.363 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 82 3.000 -8.101 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.219 -10.250 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.103 -9.466 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.043 -10.840 -3.759 1.00 0.00 H new ATOM 1263 N ARG A 83 1.799 -8.980 -7.030 1.00 0.00 N ATOM 1264 CA ARG A 83 1.123 -9.483 -8.220 1.00 0.00 C ATOM 1265 C ARG A 83 2.113 -10.163 -9.161 1.00 0.00 C ATOM 1266 O ARG A 83 3.201 -9.645 -9.416 1.00 0.00 O ATOM 1267 CB ARG A 83 0.412 -8.341 -8.949 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.392 -8.797 -10.156 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.505 -7.696 -11.198 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.737 -6.388 -10.590 1.00 0.00 N ATOM 1271 CZ ARG A 83 -1.218 -5.344 -11.254 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.518 -5.453 -12.541 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.402 -4.187 -10.631 1.00 0.00 N ATOM 0 H ARG A 83 2.303 -8.104 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 83 0.384 -10.219 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.253 -7.834 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.153 -7.610 -9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.081 -9.673 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.389 -9.101 -9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.409 -7.663 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.321 -7.927 -11.883 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.517 -6.271 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.379 -6.341 -13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.887 -4.649 -13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.174 -4.099 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.772 -3.386 -11.142 1.00 0.00 H new ATOM 1287 N THR A 84 1.729 -11.328 -9.674 1.00 0.00 N ATOM 1288 CA THR A 84 2.582 -12.080 -10.585 1.00 0.00 C ATOM 1289 C THR A 84 1.815 -12.506 -11.832 1.00 0.00 C ATOM 1290 O THR A 84 0.608 -12.289 -11.934 1.00 0.00 O ATOM 1291 CB THR A 84 3.167 -13.331 -9.903 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.111 -14.227 -9.536 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.968 -12.950 -8.667 1.00 0.00 C ATOM 0 H THR A 84 0.832 -11.771 -9.474 1.00 0.00 H new ATOM 0 HA THR A 84 3.398 -11.417 -10.873 1.00 0.00 H new ATOM 0 HB THR A 84 3.834 -13.825 -10.610 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.491 -15.021 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.371 -13.850 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.788 -12.291 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.320 -12.435 -7.958 1.00 0.00 H new ATOM 1301 N VAL A 85 2.523 -13.115 -12.778 1.00 0.00 N ATOM 1302 CA VAL A 85 1.908 -13.574 -14.017 1.00 0.00 C ATOM 1303 C VAL A 85 0.783 -14.564 -13.739 1.00 0.00 C ATOM 1304 O VAL A 85 -0.007 -14.887 -14.625 1.00 0.00 O ATOM 1305 CB VAL A 85 2.943 -14.236 -14.946 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.190 -15.678 -14.528 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.483 -14.164 -16.394 1.00 0.00 C ATOM 0 H VAL A 85 3.523 -13.302 -12.709 1.00 0.00 H new ATOM 0 HA VAL A 85 1.498 -12.693 -14.512 1.00 0.00 H new ATOM 0 HB VAL A 85 3.883 -13.691 -14.860 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.924 -16.130 -15.196 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.567 -15.701 -13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.256 -16.238 -14.583 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.227 -14.636 -17.036 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.530 -14.683 -16.499 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.362 -13.121 -16.686 1.00 0.00 H new ATOM 1317 N ALA A 86 0.717 -15.044 -12.501 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.313 -15.996 -12.105 1.00 0.00 C ATOM 1319 C ALA A 86 -1.557 -15.278 -11.594 1.00 0.00 C ATOM 1320 O ALA A 86 -2.680 -15.628 -11.955 1.00 0.00 O ATOM 1321 CB ALA A 86 0.225 -16.943 -11.043 1.00 0.00 C ATOM 0 H ALA A 86 1.365 -14.789 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.595 -16.575 -12.984 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.555 -17.649 -10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.080 -17.489 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.536 -16.371 -10.169 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.350 -14.270 -10.752 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.465 -13.519 -10.205 1.00 0.00 C ATOM 1329 C GLY A 87 -2.031 -12.529 -9.143 1.00 0.00 C ATOM 1330 O GLY A 87 -0.883 -12.086 -9.129 1.00 0.00 O ATOM 0 H GLY A 87 -0.430 -13.960 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.970 -12.985 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.191 -14.211 -9.778 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.952 -12.178 -8.252 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.660 -11.230 -7.183 1.00 0.00 C ATOM 1336 C TYR A 88 -2.519 -11.945 -5.843 1.00 0.00 C ATOM 1337 O TYR A 88 -3.357 -12.768 -5.475 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.762 -10.172 -7.097 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.746 -9.186 -8.243 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.298 -9.515 -9.475 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.179 -7.927 -8.094 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.286 -8.618 -10.525 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.163 -7.023 -9.139 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.718 -7.373 -10.352 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.703 -6.476 -11.396 1.00 0.00 O ATOM 0 H TYR A 88 -3.907 -12.536 -8.249 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.713 -10.741 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.731 -10.670 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.658 -9.627 -6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.744 -10.489 -9.614 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.743 -7.650 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.719 -8.890 -11.476 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.718 -6.048 -9.007 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.047 -5.611 -11.089 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.453 -11.624 -5.117 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.221 -12.244 -3.826 1.00 0.00 C ATOM 1357 C GLY A 89 -1.979 -11.555 -2.708 1.00 0.00 C ATOM 1358 O GLY A 89 -2.561 -10.489 -2.907 1.00 0.00 O ATOM 0 H GLY A 89 -0.746 -10.946 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.518 -13.292 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.154 -12.225 -3.603 1.00 0.00 H new ATOM 1362 N LYS A 90 -1.974 -12.167 -1.528 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.667 -11.608 -0.373 1.00 0.00 C ATOM 1364 C LYS A 90 -2.003 -10.313 0.085 1.00 0.00 C ATOM 1365 O LYS A 90 -0.825 -10.078 -0.186 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.684 -12.618 0.775 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.160 -14.000 0.363 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.069 -14.988 1.513 1.00 0.00 C ATOM 1369 CE LYS A 90 -1.658 -15.536 1.667 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.444 -16.148 3.008 1.00 0.00 N ATOM 0 H LYS A 90 -1.498 -13.050 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.692 -11.386 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.680 -12.698 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.330 -12.242 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.191 -13.941 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.560 -14.358 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.374 -14.500 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.763 -15.811 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.471 -16.281 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.938 -14.732 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.471 -16.509 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.597 -15.431 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.114 -16.932 3.143 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.766 -9.476 0.780 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.251 -8.205 1.276 1.00 0.00 C ATOM 1386 C PHE A 91 -1.403 -8.413 2.528 1.00 0.00 C ATOM 1387 O PHE A 91 -1.600 -9.374 3.271 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.405 -7.247 1.581 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.020 -6.640 0.353 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.330 -5.695 -0.388 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.289 -7.014 -0.060 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.894 -5.134 -1.518 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.858 -6.457 -1.189 1.00 0.00 C ATOM 1394 CZ PHE A 91 -5.160 -5.516 -1.920 1.00 0.00 C ATOM 0 H PHE A 91 -3.743 -9.655 1.012 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.621 -7.769 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.175 -7.783 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.043 -6.449 2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.340 -5.393 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.840 -7.750 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.346 -4.397 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.848 -6.757 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.602 -5.080 -2.803 1.00 0.00 H new ATOM 1404 N SER A 92 -0.460 -7.505 2.754 1.00 0.00 N ATOM 1405 CA SER A 92 0.422 -7.590 3.912 1.00 0.00 C ATOM 1406 C SER A 92 -0.314 -7.184 5.185 1.00 0.00 C ATOM 1407 O SER A 92 -1.380 -6.573 5.132 1.00 0.00 O ATOM 1408 CB SER A 92 1.649 -6.698 3.712 1.00 0.00 C ATOM 1409 OG SER A 92 1.332 -5.336 3.940 1.00 0.00 O ATOM 0 H SER A 92 -0.287 -6.701 2.150 1.00 0.00 H new ATOM 0 HA SER A 92 0.748 -8.625 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.443 -7.008 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.031 -6.821 2.698 1.00 0.00 H new ATOM 0 HG SER A 92 1.474 -5.121 4.885 1.00 0.00 H new ATOM 1415 N GLY A 93 0.265 -7.529 6.332 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.349 -7.193 7.603 1.00 0.00 C ATOM 1417 C GLY A 93 -0.870 -5.770 7.638 1.00 0.00 C ATOM 1418 O GLY A 93 -0.100 -4.816 7.528 1.00 0.00 O ATOM 0 H GLY A 93 1.148 -8.035 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.170 -7.882 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.380 -7.329 8.402 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.182 -5.626 7.788 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.807 -4.309 7.836 1.00 0.00 C ATOM 1424 C LYS A 94 -2.027 -3.370 8.750 1.00 0.00 C ATOM 1425 O LYS A 94 -1.569 -3.769 9.820 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.254 -4.426 8.322 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.256 -4.642 7.201 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.685 -4.493 7.696 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.689 -4.928 6.639 1.00 0.00 C ATOM 1430 NZ LYS A 94 -9.093 -4.706 7.082 1.00 0.00 N ATOM 0 H LYS A 94 -2.834 -6.405 7.879 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.801 -3.894 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.326 -5.254 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.520 -3.520 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.070 -3.925 6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.119 -5.636 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.823 -5.090 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.870 -3.454 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.508 -4.376 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.543 -5.984 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.746 -5.015 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.274 -5.253 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.241 -3.695 7.274 1.00 0.00 H new ATOM 1444 N MET A 95 -1.881 -2.121 8.321 1.00 0.00 N ATOM 1445 CA MET A 95 -1.158 -1.124 9.103 1.00 0.00 C ATOM 1446 C MET A 95 -1.822 0.244 8.986 1.00 0.00 C ATOM 1447 O MET A 95 -2.496 0.536 7.997 1.00 0.00 O ATOM 1448 CB MET A 95 0.297 -1.039 8.640 1.00 0.00 C ATOM 1449 CG MET A 95 1.254 -0.575 9.726 1.00 0.00 C ATOM 1450 SD MET A 95 1.786 -1.920 10.803 1.00 0.00 S ATOM 1451 CE MET A 95 2.949 -2.768 9.737 1.00 0.00 C ATOM 0 H MET A 95 -2.253 -1.775 7.437 1.00 0.00 H new ATOM 0 HA MET A 95 -1.181 -1.431 10.149 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.614 -2.019 8.282 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.361 -0.355 7.794 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.128 -0.118 9.263 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.771 0.196 10.326 1.00 0.00 H new ATOM 0 HE1 MET A 95 2.589 -3.777 9.536 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.045 -2.224 8.798 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.921 -2.820 10.227 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.628 1.079 10.001 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.210 2.417 10.012 1.00 0.00 C ATOM 1463 C CYS A 96 -1.123 3.481 10.130 1.00 0.00 C ATOM 1464 O CYS A 96 -0.343 3.484 11.082 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.202 2.554 11.168 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.486 2.241 12.798 1.00 0.00 S ATOM 0 H CYS A 96 -1.073 0.854 10.826 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.738 2.565 9.070 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.622 3.560 11.155 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.028 1.862 11.007 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.239 2.607 12.802 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.078 4.383 9.155 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.085 5.451 9.147 1.00 0.00 C ATOM 1474 C PHE A 97 -0.760 6.820 9.135 1.00 0.00 C ATOM 1475 O PHE A 97 -1.596 7.103 8.278 1.00 0.00 O ATOM 1476 CB PHE A 97 0.835 5.313 7.933 1.00 0.00 C ATOM 1477 CG PHE A 97 1.496 3.968 7.832 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.583 3.654 8.632 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.032 3.018 6.937 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.194 2.418 8.542 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.638 1.779 6.844 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.721 1.479 7.646 1.00 0.00 C ATOM 0 H PHE A 97 -1.717 4.396 8.360 1.00 0.00 H new ATOM 0 HA PHE A 97 0.511 5.366 10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.257 5.494 7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.604 6.084 7.980 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.957 4.384 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.187 3.248 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.040 2.186 9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.264 1.046 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.197 0.512 7.573 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.389 7.664 10.093 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.959 9.002 10.193 1.00 0.00 C ATOM 1494 C GLN A 98 0.005 10.047 9.641 1.00 0.00 C ATOM 1495 O GLN A 98 1.223 9.865 9.675 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.301 9.326 11.648 1.00 0.00 C ATOM 1497 CG GLN A 98 -2.175 10.559 11.808 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.321 10.988 13.255 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -1.332 11.257 13.937 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -3.559 11.055 13.731 1.00 0.00 N ATOM 0 H GLN A 98 0.303 7.445 10.810 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.872 9.026 9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.810 8.470 12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.376 9.472 12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.748 11.379 11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -3.162 10.356 11.392 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.350 10.823 13.130 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.719 11.338 14.698 1.00 0.00 H new ATOM 1509 N THR A 99 -0.547 11.144 9.130 1.00 0.00 N ATOM 1510 CA THR A 99 0.264 12.217 8.569 1.00 0.00 C ATOM 1511 C THR A 99 0.743 13.171 9.657 1.00 0.00 C ATOM 1512 O THR A 99 0.331 13.067 10.814 1.00 0.00 O ATOM 1513 CB THR A 99 -0.518 13.016 7.509 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.573 13.757 8.134 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.100 12.089 6.453 1.00 0.00 C ATOM 0 H THR A 99 -1.552 11.312 9.093 1.00 0.00 H new ATOM 0 HA THR A 99 1.127 11.747 8.096 1.00 0.00 H new ATOM 0 HB THR A 99 0.172 13.706 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.418 13.578 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.648 12.676 5.716 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.293 11.548 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.777 11.378 6.926 1.00 0.00 H new ATOM 1523 N LEU A 100 1.613 14.101 9.281 1.00 0.00 N ATOM 1524 CA LEU A 100 2.148 15.076 10.226 1.00 0.00 C ATOM 1525 C LEU A 100 1.050 16.006 10.728 1.00 0.00 C ATOM 1526 O LEU A 100 0.287 16.568 9.941 1.00 0.00 O ATOM 1527 CB LEU A 100 3.264 15.892 9.570 1.00 0.00 C ATOM 1528 CG LEU A 100 4.675 15.314 9.684 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.734 13.925 9.068 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.685 16.238 9.020 1.00 0.00 C ATOM 0 H LEU A 100 1.964 14.201 8.328 1.00 0.00 H new ATOM 0 HA LEU A 100 2.556 14.533 11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.026 16.011 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.265 16.889 10.011 1.00 0.00 H new ATOM 0 HG LEU A 100 4.929 15.231 10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.746 13.530 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.039 13.266 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.460 13.982 8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.684 15.811 9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.434 16.353 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.662 17.213 9.507 1.00 0.00 H new ATOM 1542 N THR A 101 0.975 16.168 12.046 1.00 0.00 N ATOM 1543 CA THR A 101 -0.029 17.031 12.654 1.00 0.00 C ATOM 1544 C THR A 101 0.535 18.420 12.932 1.00 0.00 C ATOM 1545 O THR A 101 1.413 18.585 13.780 1.00 0.00 O ATOM 1546 CB THR A 101 -0.562 16.433 13.970 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.502 16.318 14.922 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.185 15.066 13.730 1.00 0.00 C ATOM 0 H THR A 101 1.598 15.712 12.712 1.00 0.00 H new ATOM 0 HA THR A 101 -0.850 17.111 11.941 1.00 0.00 H new ATOM 0 HB THR A 101 -1.329 17.100 14.362 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.183 16.997 14.735 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.554 14.664 14.673 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.013 15.162 13.028 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.435 14.392 13.317 1.00 0.00 H new ATOM 1556 N ASP A 102 0.026 19.415 12.214 1.00 0.00 N ATOM 1557 CA ASP A 102 0.479 20.791 12.385 1.00 0.00 C ATOM 1558 C ASP A 102 -0.198 21.440 13.588 1.00 0.00 C ATOM 1559 O ASP A 102 0.445 22.136 14.374 1.00 0.00 O ATOM 1560 CB ASP A 102 0.193 21.605 11.123 1.00 0.00 C ATOM 1561 CG ASP A 102 0.475 23.083 11.310 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.662 23.448 11.437 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.491 23.874 11.331 1.00 0.00 O ATOM 0 H ASP A 102 -0.700 19.295 11.508 1.00 0.00 H new ATOM 0 HA ASP A 102 1.555 20.774 12.561 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.801 21.223 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.850 21.471 10.836 1.00 0.00 H new ATOM 1568 N SER A 103 -1.500 21.207 13.725 1.00 0.00 N ATOM 1569 CA SER A 103 -2.265 21.773 14.830 1.00 0.00 C ATOM 1570 C SER A 103 -1.513 21.618 16.148 1.00 0.00 C ATOM 1571 O SER A 103 -1.304 22.588 16.875 1.00 0.00 O ATOM 1572 CB SER A 103 -3.635 21.098 14.928 1.00 0.00 C ATOM 1573 OG SER A 103 -4.371 21.597 16.031 1.00 0.00 O ATOM 0 H SER A 103 -2.046 20.631 13.085 1.00 0.00 H new ATOM 0 HA SER A 103 -2.405 22.836 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.194 21.267 14.008 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.507 20.020 15.030 1.00 0.00 H new ATOM 0 HG SER A 103 -5.243 21.151 16.071 1.00 0.00 H new ATOM 1579 N GLY A 104 -1.109 20.387 16.450 1.00 0.00 N ATOM 1580 CA GLY A 104 -0.385 20.125 17.680 1.00 0.00 C ATOM 1581 C GLY A 104 1.056 20.591 17.615 1.00 0.00 C ATOM 1582 O GLY A 104 1.709 20.514 16.574 1.00 0.00 O ATOM 0 H GLY A 104 -1.270 19.567 15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.888 20.625 18.508 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.409 19.056 17.891 1.00 0.00 H new ATOM 1586 N PRO A 105 1.573 21.089 18.748 1.00 0.00 N ATOM 1587 CA PRO A 105 2.951 21.579 18.841 1.00 0.00 C ATOM 1588 C PRO A 105 3.975 20.453 18.753 1.00 0.00 C ATOM 1589 O PRO A 105 3.628 19.276 18.858 1.00 0.00 O ATOM 1590 CB PRO A 105 3.001 22.240 20.221 1.00 0.00 C ATOM 1591 CG PRO A 105 1.939 21.553 21.008 1.00 0.00 C ATOM 1592 CD PRO A 105 0.852 21.210 20.026 1.00 0.00 C ATOM 0 HA PRO A 105 3.199 22.253 18.021 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.980 22.116 20.684 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.813 23.312 20.154 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.328 20.655 21.488 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.560 22.199 21.800 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.348 20.281 20.293 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.088 21.986 19.985 1.00 0.00 H new ATOM 1600 N SER A 106 5.238 20.820 18.560 1.00 0.00 N ATOM 1601 CA SER A 106 6.312 19.840 18.455 1.00 0.00 C ATOM 1602 C SER A 106 7.253 19.934 19.652 1.00 0.00 C ATOM 1603 O SER A 106 7.412 20.999 20.249 1.00 0.00 O ATOM 1604 CB SER A 106 7.097 20.049 17.158 1.00 0.00 C ATOM 1605 OG SER A 106 7.692 21.334 17.123 1.00 0.00 O ATOM 0 H SER A 106 5.542 21.790 18.473 1.00 0.00 H new ATOM 0 HA SER A 106 5.863 18.847 18.444 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.869 19.285 17.070 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.431 19.930 16.303 1.00 0.00 H new ATOM 0 HG SER A 106 8.189 21.442 16.285 1.00 0.00 H new ATOM 1611 N SER A 107 7.874 18.811 19.998 1.00 0.00 N ATOM 1612 CA SER A 107 8.796 18.764 21.127 1.00 0.00 C ATOM 1613 C SER A 107 10.226 18.527 20.650 1.00 0.00 C ATOM 1614 O SER A 107 10.453 17.872 19.634 1.00 0.00 O ATOM 1615 CB SER A 107 8.383 17.662 22.105 1.00 0.00 C ATOM 1616 OG SER A 107 9.224 17.651 23.245 1.00 0.00 O ATOM 0 H SER A 107 7.756 17.922 19.513 1.00 0.00 H new ATOM 0 HA SER A 107 8.756 19.726 21.638 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.349 17.814 22.414 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.428 16.694 21.607 1.00 0.00 H new ATOM 0 HG SER A 107 8.939 16.939 23.855 1.00 0.00 H new ATOM 1622 N GLY A 108 11.188 19.065 21.394 1.00 0.00 N ATOM 1623 CA GLY A 108 12.584 18.901 21.032 1.00 0.00 C ATOM 1624 C GLY A 108 13.520 19.578 22.014 1.00 0.00 C ATOM 1625 O GLY A 108 13.769 20.780 21.917 1.00 0.00 O ATOM 0 H GLY A 108 11.026 19.611 22.240 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.821 17.838 20.982 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.749 19.311 20.036 1.00 0.00 H new TER 1629 GLY A 108