USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 921 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 72 THR OG1 : rot 126:sc= 1.29 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -9.73! C(o=-8.4!,f=-6.9!) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= -0.802 USER MOD Set 2.2: A 56 SER OG : rot 62:sc= 0.0761 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0564 K(o=-0.056,f=-0.59) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0.414 (180deg=0.414) USER MOD Single : A 13 HIS : no HE2:sc= 0.0132 K(o=0.013,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.16) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.3 (180deg=1.14) USER MOD Single : A 31 SER OG : rot 180:sc= -1.48! USER MOD Single : A 38 TYR OH : rot -18:sc= 0.719 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.013) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.8!) USER MOD Single : A 54 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.4) USER MOD Single : A 61 GLN : amide:sc= -0.726 X(o=-0.73,f=-0.67) USER MOD Single : A 63 MET CE :methyl -149:sc= -0.0761 (180deg=-2.04) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0147) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00816 USER MOD Single : A 71 ASN : amide:sc= -0.397 K(o=-0.4,f=-4.9!) USER MOD Single : A 79 GLN : amide:sc= -0.0742 K(o=-0.074,f=-2.3!) USER MOD Single : A 81 THR OG1 : rot 106:sc= 0.867 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00633 USER MOD Single : A 87 THR OG1 : rot 32:sc= -1.39! USER MOD Single : A 92 SER OG : rot 180:sc= -1.64! USER MOD Single : A 100 MET CE :methyl -152:sc= -0.102 (180deg=-0.904) USER MOD Single : A 104 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.16) USER MOD Single : A 105 MET CE :methyl 175:sc= 0 (180deg=-0.053) USER MOD Single : A 108 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.951 6.594 -13.563 1.00 0.00 N ATOM 2 CA MET A 1 16.449 6.832 -12.176 1.00 0.00 C ATOM 3 C MET A 1 16.462 5.524 -11.375 1.00 0.00 C ATOM 4 O MET A 1 15.839 4.549 -11.753 1.00 0.00 O ATOM 5 CB MET A 1 15.016 7.346 -12.346 1.00 0.00 C ATOM 6 CG MET A 1 14.849 8.665 -11.587 1.00 0.00 C ATOM 7 SD MET A 1 13.247 9.401 -12.003 1.00 0.00 S ATOM 8 CE MET A 1 12.394 8.980 -10.464 1.00 0.00 C ATOM 0 H1 MET A 1 16.937 7.487 -14.095 1.00 0.00 H new ATOM 0 H2 MET A 1 17.924 6.230 -13.522 1.00 0.00 H new ATOM 0 H3 MET A 1 16.341 5.898 -14.038 1.00 0.00 H new ATOM 0 HA MET A 1 17.071 7.543 -11.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.795 7.493 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.307 6.607 -11.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.913 8.490 -10.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.655 9.351 -11.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.368 9.347 -10.504 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.387 7.898 -10.336 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.912 9.442 -9.623 1.00 0.00 H new ATOM 20 N ASN A 2 17.171 5.500 -10.275 1.00 0.00 N ATOM 21 CA ASN A 2 17.235 4.260 -9.435 1.00 0.00 C ATOM 22 C ASN A 2 17.743 4.600 -8.025 1.00 0.00 C ATOM 23 O ASN A 2 18.559 3.896 -7.460 1.00 0.00 O ATOM 24 CB ASN A 2 18.217 3.322 -10.158 1.00 0.00 C ATOM 25 CG ASN A 2 19.476 4.092 -10.580 1.00 0.00 C ATOM 26 OD1 ASN A 2 20.212 4.582 -9.747 1.00 0.00 O ATOM 27 ND2 ASN A 2 19.755 4.220 -11.848 1.00 0.00 N ATOM 0 H ASN A 2 17.712 6.288 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 2 16.256 3.796 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 2 18.491 2.495 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 2 17.737 2.888 -11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 2 20.589 4.730 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.139 3.810 -12.550 1.00 0.00 H new ATOM 34 N GLU A 3 17.258 5.676 -7.454 1.00 0.00 N ATOM 35 CA GLU A 3 17.705 6.073 -6.081 1.00 0.00 C ATOM 36 C GLU A 3 16.499 6.226 -5.142 1.00 0.00 C ATOM 37 O GLU A 3 16.457 7.110 -4.306 1.00 0.00 O ATOM 38 CB GLU A 3 18.427 7.416 -6.273 1.00 0.00 C ATOM 39 CG GLU A 3 17.452 8.469 -6.821 1.00 0.00 C ATOM 40 CD GLU A 3 17.737 8.719 -8.304 1.00 0.00 C ATOM 41 OE1 GLU A 3 18.640 9.486 -8.594 1.00 0.00 O ATOM 42 OE2 GLU A 3 17.045 8.138 -9.126 1.00 0.00 O ATOM 0 H GLU A 3 16.571 6.298 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 3 18.354 5.324 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.842 7.753 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.264 7.292 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.425 8.129 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.553 9.398 -6.260 1.00 0.00 H new ATOM 49 N VAL A 4 15.517 5.369 -5.275 1.00 0.00 N ATOM 50 CA VAL A 4 14.312 5.463 -4.394 1.00 0.00 C ATOM 51 C VAL A 4 14.524 4.647 -3.115 1.00 0.00 C ATOM 52 O VAL A 4 14.770 3.456 -3.161 1.00 0.00 O ATOM 53 CB VAL A 4 13.157 4.883 -5.223 1.00 0.00 C ATOM 54 CG1 VAL A 4 11.916 4.715 -4.339 1.00 0.00 C ATOM 55 CG2 VAL A 4 12.827 5.832 -6.378 1.00 0.00 C ATOM 0 H VAL A 4 15.498 4.609 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 4 14.110 6.488 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 4 13.455 3.912 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.100 4.303 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.144 4.037 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.620 5.685 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.007 5.419 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.534 6.803 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.705 5.951 -7.013 1.00 0.00 H new ATOM 65 N SER A 5 14.412 5.280 -1.973 1.00 0.00 N ATOM 66 CA SER A 5 14.590 4.549 -0.680 1.00 0.00 C ATOM 67 C SER A 5 13.220 4.240 -0.066 1.00 0.00 C ATOM 68 O SER A 5 12.197 4.656 -0.577 1.00 0.00 O ATOM 69 CB SER A 5 15.377 5.508 0.215 1.00 0.00 C ATOM 70 OG SER A 5 16.757 5.434 -0.118 1.00 0.00 O ATOM 0 H SER A 5 14.204 6.274 -1.881 1.00 0.00 H new ATOM 0 HA SER A 5 15.108 3.598 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.013 6.527 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.230 5.249 1.264 1.00 0.00 H new ATOM 0 HG SER A 5 17.265 6.048 0.452 1.00 0.00 H new ATOM 76 N VAL A 6 13.187 3.518 1.028 1.00 0.00 N ATOM 77 CA VAL A 6 11.874 3.196 1.667 1.00 0.00 C ATOM 78 C VAL A 6 11.423 4.368 2.548 1.00 0.00 C ATOM 79 O VAL A 6 12.189 4.902 3.331 1.00 0.00 O ATOM 80 CB VAL A 6 12.118 1.936 2.505 1.00 0.00 C ATOM 81 CG1 VAL A 6 10.925 1.690 3.433 1.00 0.00 C ATOM 82 CG2 VAL A 6 12.283 0.733 1.573 1.00 0.00 C ATOM 0 H VAL A 6 14.007 3.140 1.503 1.00 0.00 H new ATOM 0 HA VAL A 6 11.087 3.029 0.932 1.00 0.00 H new ATOM 0 HB VAL A 6 13.020 2.071 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.104 0.793 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.798 2.545 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.022 1.557 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.457 -0.165 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.378 0.606 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.132 0.900 0.910 1.00 0.00 H new ATOM 92 N ILE A 7 10.185 4.771 2.417 1.00 0.00 N ATOM 93 CA ILE A 7 9.669 5.912 3.231 1.00 0.00 C ATOM 94 C ILE A 7 9.016 5.405 4.524 1.00 0.00 C ATOM 95 O ILE A 7 9.238 5.951 5.588 1.00 0.00 O ATOM 96 CB ILE A 7 8.633 6.602 2.333 1.00 0.00 C ATOM 97 CG1 ILE A 7 9.338 7.270 1.143 1.00 0.00 C ATOM 98 CG2 ILE A 7 7.871 7.659 3.135 1.00 0.00 C ATOM 99 CD1 ILE A 7 10.485 8.160 1.637 1.00 0.00 C ATOM 0 H ILE A 7 9.506 4.357 1.778 1.00 0.00 H new ATOM 0 HA ILE A 7 10.465 6.592 3.534 1.00 0.00 H new ATOM 0 HB ILE A 7 7.930 5.855 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.725 6.508 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.623 7.867 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.137 8.145 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.361 7.183 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.571 8.404 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.976 8.627 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.088 8.933 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.207 7.553 2.184 1.00 0.00 H new ATOM 111 N LYS A 8 8.208 4.374 4.443 1.00 0.00 N ATOM 112 CA LYS A 8 7.543 3.851 5.680 1.00 0.00 C ATOM 113 C LYS A 8 7.256 2.350 5.560 1.00 0.00 C ATOM 114 O LYS A 8 6.790 1.875 4.541 1.00 0.00 O ATOM 115 CB LYS A 8 6.230 4.636 5.784 1.00 0.00 C ATOM 116 CG LYS A 8 6.000 5.069 7.236 1.00 0.00 C ATOM 117 CD LYS A 8 6.586 6.467 7.452 1.00 0.00 C ATOM 118 CE LYS A 8 5.787 7.199 8.535 1.00 0.00 C ATOM 119 NZ LYS A 8 6.485 6.888 9.816 1.00 0.00 N ATOM 0 H LYS A 8 7.982 3.876 3.582 1.00 0.00 H new ATOM 0 HA LYS A 8 8.174 3.975 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.266 5.511 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.399 4.020 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.934 5.072 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.468 4.358 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.633 6.392 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.557 7.032 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.765 8.273 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.752 6.858 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.992 7.357 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.484 5.860 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.466 7.230 9.769 1.00 0.00 H new ATOM 133 N GLU A 9 7.514 1.606 6.608 1.00 0.00 N ATOM 134 CA GLU A 9 7.247 0.133 6.591 1.00 0.00 C ATOM 135 C GLU A 9 6.300 -0.224 7.744 1.00 0.00 C ATOM 136 O GLU A 9 6.520 0.167 8.875 1.00 0.00 O ATOM 137 CB GLU A 9 8.615 -0.529 6.790 1.00 0.00 C ATOM 138 CG GLU A 9 9.417 -0.454 5.484 1.00 0.00 C ATOM 139 CD GLU A 9 10.920 -0.508 5.784 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.365 0.223 6.655 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.606 -1.273 5.126 1.00 0.00 O ATOM 0 H GLU A 9 7.902 1.960 7.483 1.00 0.00 H new ATOM 0 HA GLU A 9 6.777 -0.198 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.159 -0.030 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.487 -1.569 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.139 -1.280 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.177 0.467 4.953 1.00 0.00 H new ATOM 148 N GLY A 10 5.241 -0.944 7.469 1.00 0.00 N ATOM 149 CA GLY A 10 4.281 -1.293 8.562 1.00 0.00 C ATOM 150 C GLY A 10 3.421 -2.495 8.161 1.00 0.00 C ATOM 151 O GLY A 10 3.416 -2.922 7.022 1.00 0.00 O ATOM 0 H GLY A 10 5.001 -1.302 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.829 -1.520 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.641 -0.437 8.778 1.00 0.00 H new ATOM 155 N TRP A 11 2.684 -3.037 9.094 1.00 0.00 N ATOM 156 CA TRP A 11 1.813 -4.211 8.781 1.00 0.00 C ATOM 157 C TRP A 11 0.407 -3.736 8.395 1.00 0.00 C ATOM 158 O TRP A 11 -0.142 -2.839 9.005 1.00 0.00 O ATOM 159 CB TRP A 11 1.764 -5.034 10.072 1.00 0.00 C ATOM 160 CG TRP A 11 3.006 -5.862 10.194 1.00 0.00 C ATOM 161 CD1 TRP A 11 4.146 -5.466 10.806 1.00 0.00 C ATOM 162 CD2 TRP A 11 3.253 -7.215 9.707 1.00 0.00 C ATOM 163 NE1 TRP A 11 5.076 -6.487 10.726 1.00 0.00 N ATOM 164 CE2 TRP A 11 4.573 -7.586 10.057 1.00 0.00 C ATOM 165 CE3 TRP A 11 2.468 -8.145 9.003 1.00 0.00 C ATOM 166 CZ2 TRP A 11 5.096 -8.834 9.720 1.00 0.00 C ATOM 167 CZ3 TRP A 11 2.992 -9.404 8.662 1.00 0.00 C ATOM 168 CH2 TRP A 11 4.304 -9.746 9.020 1.00 0.00 C ATOM 0 H TRP A 11 2.647 -2.718 10.062 1.00 0.00 H new ATOM 0 HA TRP A 11 2.196 -4.794 7.944 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.672 -4.372 10.933 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.885 -5.679 10.070 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.304 -4.508 11.280 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.018 -6.435 11.114 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.457 -7.891 8.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.107 -9.093 9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.381 -10.112 8.121 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.702 -10.714 8.754 1.00 0.00 H new ATOM 179 N LEU A 12 -0.179 -4.335 7.389 1.00 0.00 N ATOM 180 CA LEU A 12 -1.557 -3.926 6.962 1.00 0.00 C ATOM 181 C LEU A 12 -2.487 -5.145 6.962 1.00 0.00 C ATOM 182 O LEU A 12 -2.057 -6.261 6.767 1.00 0.00 O ATOM 183 CB LEU A 12 -1.401 -3.371 5.541 1.00 0.00 C ATOM 184 CG LEU A 12 -0.630 -2.046 5.574 1.00 0.00 C ATOM 185 CD1 LEU A 12 -0.349 -1.582 4.143 1.00 0.00 C ATOM 186 CD2 LEU A 12 -1.461 -0.980 6.293 1.00 0.00 C ATOM 0 H LEU A 12 0.236 -5.090 6.843 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.991 -3.186 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.874 -4.092 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.382 -3.218 5.092 1.00 0.00 H new ATOM 0 HG LEU A 12 0.310 -2.194 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.199 -0.640 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.246 -2.335 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.292 -1.440 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.908 -0.041 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.403 -0.835 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.664 -1.304 7.314 1.00 0.00 H new ATOM 198 N HIS A 13 -3.761 -4.941 7.181 1.00 0.00 N ATOM 199 CA HIS A 13 -4.711 -6.096 7.198 1.00 0.00 C ATOM 200 C HIS A 13 -5.470 -6.200 5.872 1.00 0.00 C ATOM 201 O HIS A 13 -6.184 -5.295 5.481 1.00 0.00 O ATOM 202 CB HIS A 13 -5.678 -5.806 8.349 1.00 0.00 C ATOM 203 CG HIS A 13 -5.245 -6.569 9.572 1.00 0.00 C ATOM 204 ND1 HIS A 13 -5.869 -7.741 9.975 1.00 0.00 N ATOM 205 CD2 HIS A 13 -4.252 -6.336 10.491 1.00 0.00 C ATOM 206 CE1 HIS A 13 -5.249 -8.165 11.093 1.00 0.00 C ATOM 207 NE2 HIS A 13 -4.256 -7.344 11.449 1.00 0.00 N ATOM 0 H HIS A 13 -4.184 -4.028 7.348 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.189 -7.044 7.331 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.697 -4.737 8.562 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.691 -6.093 8.068 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -6.653 -8.198 9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.571 -5.498 10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.521 -9.059 11.635 1.00 0.00 H new ATOM 215 N LYS A 14 -5.327 -7.305 5.187 1.00 0.00 N ATOM 216 CA LYS A 14 -6.044 -7.495 3.891 1.00 0.00 C ATOM 217 C LYS A 14 -6.912 -8.757 3.965 1.00 0.00 C ATOM 218 O LYS A 14 -6.494 -9.778 4.483 1.00 0.00 O ATOM 219 CB LYS A 14 -4.941 -7.648 2.837 1.00 0.00 C ATOM 220 CG LYS A 14 -5.560 -7.970 1.470 1.00 0.00 C ATOM 221 CD LYS A 14 -6.370 -6.769 0.964 1.00 0.00 C ATOM 222 CE LYS A 14 -7.630 -7.269 0.246 1.00 0.00 C ATOM 223 NZ LYS A 14 -8.154 -6.091 -0.504 1.00 0.00 N ATOM 0 H LYS A 14 -4.740 -8.089 5.472 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.706 -6.663 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.358 -6.729 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.254 -8.442 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.775 -8.217 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.204 -8.846 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.646 -6.125 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.765 -6.169 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.397 -8.092 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.367 -7.640 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.061 -6.338 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.296 -5.297 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.471 -5.815 -1.239 1.00 0.00 H new ATOM 237 N ARG A 15 -8.117 -8.693 3.453 1.00 0.00 N ATOM 238 CA ARG A 15 -9.021 -9.887 3.491 1.00 0.00 C ATOM 239 C ARG A 15 -8.404 -11.048 2.702 1.00 0.00 C ATOM 240 O ARG A 15 -7.852 -10.859 1.634 1.00 0.00 O ATOM 241 CB ARG A 15 -10.328 -9.428 2.835 1.00 0.00 C ATOM 242 CG ARG A 15 -11.517 -10.179 3.449 1.00 0.00 C ATOM 243 CD ARG A 15 -11.689 -11.540 2.758 1.00 0.00 C ATOM 244 NE ARG A 15 -12.136 -11.223 1.364 1.00 0.00 N ATOM 245 CZ ARG A 15 -13.411 -11.273 1.022 1.00 0.00 C ATOM 246 NH1 ARG A 15 -14.341 -11.575 1.899 1.00 0.00 N ATOM 247 NH2 ARG A 15 -13.755 -11.013 -0.213 1.00 0.00 N ATOM 0 H ARG A 15 -8.515 -7.865 3.010 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.182 -10.244 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.456 -8.354 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.288 -9.609 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.356 -10.322 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.427 -9.589 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.754 -12.099 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.425 -12.154 3.277 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.441 -10.963 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.084 -11.777 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.320 -11.608 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.041 -10.774 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.737 -11.049 -0.487 1.00 0.00 H new ATOM 261 N GLY A 16 -8.491 -12.244 3.227 1.00 0.00 N ATOM 262 CA GLY A 16 -7.912 -13.424 2.517 1.00 0.00 C ATOM 263 C GLY A 16 -8.456 -14.714 3.136 1.00 0.00 C ATOM 264 O GLY A 16 -7.709 -15.543 3.616 1.00 0.00 O ATOM 0 H GLY A 16 -8.939 -12.454 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.164 -13.383 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.824 -13.406 2.587 1.00 0.00 H new ATOM 268 N GLU A 17 -9.754 -14.888 3.127 1.00 0.00 N ATOM 269 CA GLU A 17 -10.356 -16.124 3.714 1.00 0.00 C ATOM 270 C GLU A 17 -11.757 -16.358 3.135 1.00 0.00 C ATOM 271 O GLU A 17 -12.373 -15.458 2.592 1.00 0.00 O ATOM 272 CB GLU A 17 -10.436 -15.850 5.221 1.00 0.00 C ATOM 273 CG GLU A 17 -10.343 -17.170 5.997 1.00 0.00 C ATOM 274 CD GLU A 17 -8.879 -17.480 6.325 1.00 0.00 C ATOM 275 OE1 GLU A 17 -8.408 -17.015 7.353 1.00 0.00 O ATOM 276 OE2 GLU A 17 -8.255 -18.181 5.547 1.00 0.00 O ATOM 0 H GLU A 17 -10.424 -14.225 2.737 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.768 -17.015 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.628 -15.183 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.372 -15.344 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.924 -17.103 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.772 -17.980 5.407 1.00 0.00 H new ATOM 283 N TYR A 18 -12.264 -17.563 3.256 1.00 0.00 N ATOM 284 CA TYR A 18 -13.634 -17.867 2.720 1.00 0.00 C ATOM 285 C TYR A 18 -14.694 -16.982 3.399 1.00 0.00 C ATOM 286 O TYR A 18 -15.754 -16.744 2.848 1.00 0.00 O ATOM 287 CB TYR A 18 -13.885 -19.358 3.017 1.00 0.00 C ATOM 288 CG TYR A 18 -13.824 -19.637 4.506 1.00 0.00 C ATOM 289 CD1 TYR A 18 -14.953 -19.424 5.306 1.00 0.00 C ATOM 290 CD2 TYR A 18 -12.641 -20.121 5.080 1.00 0.00 C ATOM 291 CE1 TYR A 18 -14.897 -19.690 6.679 1.00 0.00 C ATOM 292 CE2 TYR A 18 -12.587 -20.389 6.452 1.00 0.00 C ATOM 293 CZ TYR A 18 -13.715 -20.174 7.252 1.00 0.00 C ATOM 294 OH TYR A 18 -13.663 -20.439 8.603 1.00 0.00 O ATOM 0 H TYR A 18 -11.791 -18.349 3.702 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.699 -17.662 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.861 -19.650 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.142 -19.965 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.867 -19.055 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.770 -20.287 4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.767 -19.522 7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.675 -20.762 6.894 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.771 -20.769 8.837 1.00 0.00 H new ATOM 304 N ILE A 19 -14.413 -16.480 4.579 1.00 0.00 N ATOM 305 CA ILE A 19 -15.395 -15.596 5.278 1.00 0.00 C ATOM 306 C ILE A 19 -14.879 -14.142 5.258 1.00 0.00 C ATOM 307 O ILE A 19 -14.034 -13.793 4.452 1.00 0.00 O ATOM 308 CB ILE A 19 -15.489 -16.171 6.705 1.00 0.00 C ATOM 309 CG1 ILE A 19 -16.847 -15.806 7.320 1.00 0.00 C ATOM 310 CG2 ILE A 19 -14.362 -15.620 7.584 1.00 0.00 C ATOM 311 CD1 ILE A 19 -17.695 -17.071 7.478 1.00 0.00 C ATOM 0 H ILE A 19 -13.544 -16.646 5.087 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.378 -15.573 4.808 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.391 -17.255 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.702 -15.329 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.364 -15.086 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.446 -16.038 8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.398 -15.896 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -14.439 -14.534 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.659 -16.811 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -17.851 -17.529 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -17.179 -17.775 8.131 1.00 0.00 H new ATOM 323 N LYS A 20 -15.376 -13.288 6.119 1.00 0.00 N ATOM 324 CA LYS A 20 -14.904 -11.869 6.120 1.00 0.00 C ATOM 325 C LYS A 20 -13.770 -11.676 7.138 1.00 0.00 C ATOM 326 O LYS A 20 -13.927 -11.000 8.139 1.00 0.00 O ATOM 327 CB LYS A 20 -16.134 -11.036 6.501 1.00 0.00 C ATOM 328 CG LYS A 20 -16.926 -10.686 5.236 1.00 0.00 C ATOM 329 CD LYS A 20 -18.426 -10.704 5.544 1.00 0.00 C ATOM 330 CE LYS A 20 -19.212 -10.974 4.256 1.00 0.00 C ATOM 331 NZ LYS A 20 -20.606 -10.529 4.547 1.00 0.00 N ATOM 0 H LYS A 20 -16.085 -13.511 6.818 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.501 -11.571 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.764 -11.594 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.825 -10.125 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.632 -9.702 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.699 -11.400 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.646 -11.473 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.731 -9.750 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.791 -10.423 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.183 -12.031 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.202 -10.684 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.985 -11.075 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.604 -9.517 4.788 1.00 0.00 H new ATOM 345 N THR A 21 -12.622 -12.256 6.881 1.00 0.00 N ATOM 346 CA THR A 21 -11.469 -12.095 7.823 1.00 0.00 C ATOM 347 C THR A 21 -10.308 -11.396 7.113 1.00 0.00 C ATOM 348 O THR A 21 -10.077 -11.596 5.934 1.00 0.00 O ATOM 349 CB THR A 21 -11.068 -13.513 8.244 1.00 0.00 C ATOM 350 OG1 THR A 21 -12.191 -14.173 8.818 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.937 -13.445 9.276 1.00 0.00 C ATOM 0 H THR A 21 -12.434 -12.833 6.061 1.00 0.00 H new ATOM 0 HA THR A 21 -11.734 -11.487 8.688 1.00 0.00 H new ATOM 0 HB THR A 21 -10.727 -14.065 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.935 -15.080 9.086 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.654 -14.455 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.075 -12.941 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.276 -12.891 10.151 1.00 0.00 H new ATOM 359 N TRP A 22 -9.581 -10.579 7.828 1.00 0.00 N ATOM 360 CA TRP A 22 -8.431 -9.848 7.215 1.00 0.00 C ATOM 361 C TRP A 22 -7.121 -10.297 7.874 1.00 0.00 C ATOM 362 O TRP A 22 -7.008 -10.342 9.087 1.00 0.00 O ATOM 363 CB TRP A 22 -8.703 -8.361 7.495 1.00 0.00 C ATOM 364 CG TRP A 22 -9.979 -7.935 6.828 1.00 0.00 C ATOM 365 CD1 TRP A 22 -11.219 -8.340 7.193 1.00 0.00 C ATOM 366 CD2 TRP A 22 -10.162 -7.030 5.700 1.00 0.00 C ATOM 367 NE1 TRP A 22 -12.146 -7.754 6.353 1.00 0.00 N ATOM 368 CE2 TRP A 22 -11.546 -6.935 5.419 1.00 0.00 C ATOM 369 CE3 TRP A 22 -9.273 -6.293 4.898 1.00 0.00 C ATOM 370 CZ2 TRP A 22 -12.029 -6.139 4.381 1.00 0.00 C ATOM 371 CZ3 TRP A 22 -9.756 -5.488 3.853 1.00 0.00 C ATOM 372 CH2 TRP A 22 -11.132 -5.413 3.595 1.00 0.00 C ATOM 0 H TRP A 22 -9.735 -10.385 8.817 1.00 0.00 H new ATOM 0 HA TRP A 22 -8.334 -10.042 6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.771 -8.192 8.570 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -7.873 -7.756 7.129 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.446 -9.012 8.008 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.152 -7.908 6.416 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.211 -6.346 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -13.090 -6.084 4.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -9.064 -4.924 3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -11.498 -4.794 2.789 1.00 0.00 H new ATOM 383 N ARG A 23 -6.134 -10.636 7.085 1.00 0.00 N ATOM 384 CA ARG A 23 -4.832 -11.090 7.661 1.00 0.00 C ATOM 385 C ARG A 23 -3.788 -9.971 7.572 1.00 0.00 C ATOM 386 O ARG A 23 -3.764 -9.224 6.612 1.00 0.00 O ATOM 387 CB ARG A 23 -4.410 -12.287 6.807 1.00 0.00 C ATOM 388 CG ARG A 23 -5.505 -13.360 6.839 1.00 0.00 C ATOM 389 CD ARG A 23 -4.924 -14.680 7.356 1.00 0.00 C ATOM 390 NE ARG A 23 -6.052 -15.343 8.077 1.00 0.00 N ATOM 391 CZ ARG A 23 -6.323 -15.049 9.331 1.00 0.00 C ATOM 392 NH1 ARG A 23 -5.611 -14.164 9.989 1.00 0.00 N ATOM 393 NH2 ARG A 23 -7.321 -15.646 9.928 1.00 0.00 N ATOM 0 H ARG A 23 -6.173 -10.618 6.066 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.922 -11.354 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.231 -11.968 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.473 -12.700 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.325 -13.037 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.918 -13.501 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.561 -15.300 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.079 -14.505 8.021 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.621 -16.035 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.833 -13.691 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.836 -13.949 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.881 -16.332 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.540 -15.426 10.900 1.00 0.00 H new ATOM 407 N PRO A 24 -2.956 -9.895 8.586 1.00 0.00 N ATOM 408 CA PRO A 24 -1.894 -8.857 8.629 1.00 0.00 C ATOM 409 C PRO A 24 -0.759 -9.184 7.646 1.00 0.00 C ATOM 410 O PRO A 24 -0.287 -10.304 7.574 1.00 0.00 O ATOM 411 CB PRO A 24 -1.397 -8.912 10.072 1.00 0.00 C ATOM 412 CG PRO A 24 -1.721 -10.294 10.545 1.00 0.00 C ATOM 413 CD PRO A 24 -2.929 -10.759 9.775 1.00 0.00 C ATOM 0 HA PRO A 24 -2.258 -7.870 8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.326 -8.718 10.127 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.890 -8.159 10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.878 -10.965 10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.924 -10.296 11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.845 -11.811 9.501 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.840 -10.654 10.364 1.00 0.00 H new ATOM 421 N ARG A 25 -0.322 -8.203 6.899 1.00 0.00 N ATOM 422 CA ARG A 25 0.783 -8.413 5.918 1.00 0.00 C ATOM 423 C ARG A 25 1.827 -7.302 6.077 1.00 0.00 C ATOM 424 O ARG A 25 1.492 -6.149 6.270 1.00 0.00 O ATOM 425 CB ARG A 25 0.116 -8.331 4.540 1.00 0.00 C ATOM 426 CG ARG A 25 0.450 -9.581 3.720 1.00 0.00 C ATOM 427 CD ARG A 25 -0.634 -10.646 3.930 1.00 0.00 C ATOM 428 NE ARG A 25 -1.362 -10.741 2.626 1.00 0.00 N ATOM 429 CZ ARG A 25 -0.833 -11.362 1.591 1.00 0.00 C ATOM 430 NH1 ARG A 25 0.383 -11.847 1.644 1.00 0.00 N ATOM 431 NH2 ARG A 25 -1.521 -11.480 0.486 1.00 0.00 N ATOM 0 H ARG A 25 -0.690 -7.252 6.928 1.00 0.00 H new ATOM 0 HA ARG A 25 1.295 -9.365 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.964 -8.239 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.457 -7.439 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.521 -9.325 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.422 -9.974 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.194 -11.605 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.310 -10.363 4.737 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.285 -10.317 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.935 -11.747 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.777 -12.325 0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.463 -11.092 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.116 -11.960 -0.318 1.00 0.00 H new ATOM 445 N TYR A 26 3.087 -7.638 6.003 1.00 0.00 N ATOM 446 CA TYR A 26 4.150 -6.599 6.158 1.00 0.00 C ATOM 447 C TYR A 26 4.271 -5.776 4.870 1.00 0.00 C ATOM 448 O TYR A 26 4.769 -6.248 3.866 1.00 0.00 O ATOM 449 CB TYR A 26 5.438 -7.381 6.433 1.00 0.00 C ATOM 450 CG TYR A 26 6.580 -6.424 6.688 1.00 0.00 C ATOM 451 CD1 TYR A 26 6.479 -5.456 7.694 1.00 0.00 C ATOM 452 CD2 TYR A 26 7.743 -6.511 5.914 1.00 0.00 C ATOM 453 CE1 TYR A 26 7.542 -4.575 7.926 1.00 0.00 C ATOM 454 CE2 TYR A 26 8.805 -5.631 6.146 1.00 0.00 C ATOM 455 CZ TYR A 26 8.705 -4.663 7.151 1.00 0.00 C ATOM 456 OH TYR A 26 9.754 -3.796 7.379 1.00 0.00 O ATOM 0 H TYR A 26 3.427 -8.586 5.842 1.00 0.00 H new ATOM 0 HA TYR A 26 3.931 -5.896 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.300 -8.033 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.673 -8.022 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.581 -5.389 8.291 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.820 -7.258 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.465 -3.828 8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.703 -5.699 5.549 1.00 0.00 H new ATOM 0 HH TYR A 26 10.483 -3.994 6.755 1.00 0.00 H new ATOM 466 N PHE A 27 3.814 -4.551 4.894 1.00 0.00 N ATOM 467 CA PHE A 27 3.889 -3.694 3.674 1.00 0.00 C ATOM 468 C PHE A 27 5.045 -2.694 3.783 1.00 0.00 C ATOM 469 O PHE A 27 5.299 -2.136 4.837 1.00 0.00 O ATOM 470 CB PHE A 27 2.552 -2.953 3.627 1.00 0.00 C ATOM 471 CG PHE A 27 1.559 -3.734 2.794 1.00 0.00 C ATOM 472 CD1 PHE A 27 0.824 -4.776 3.371 1.00 0.00 C ATOM 473 CD2 PHE A 27 1.366 -3.403 1.448 1.00 0.00 C ATOM 474 CE1 PHE A 27 -0.103 -5.489 2.601 1.00 0.00 C ATOM 475 CE2 PHE A 27 0.437 -4.115 0.678 1.00 0.00 C ATOM 476 CZ PHE A 27 -0.297 -5.158 1.254 1.00 0.00 C ATOM 0 H PHE A 27 3.391 -4.106 5.709 1.00 0.00 H new ATOM 0 HA PHE A 27 4.067 -4.284 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.166 -2.818 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.692 -1.958 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.972 -5.030 4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.933 -2.599 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.669 -6.294 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.287 -3.859 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.013 -5.707 0.660 1.00 0.00 H new ATOM 486 N LEU A 28 5.733 -2.457 2.694 1.00 0.00 N ATOM 487 CA LEU A 28 6.868 -1.482 2.708 1.00 0.00 C ATOM 488 C LEU A 28 6.619 -0.398 1.655 1.00 0.00 C ATOM 489 O LEU A 28 6.443 -0.691 0.488 1.00 0.00 O ATOM 490 CB LEU A 28 8.114 -2.299 2.347 1.00 0.00 C ATOM 491 CG LEU A 28 8.339 -3.403 3.387 1.00 0.00 C ATOM 492 CD1 LEU A 28 7.822 -4.735 2.839 1.00 0.00 C ATOM 493 CD2 LEU A 28 9.836 -3.523 3.688 1.00 0.00 C ATOM 0 H LEU A 28 5.557 -2.899 1.792 1.00 0.00 H new ATOM 0 HA LEU A 28 6.980 -0.988 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.995 -2.740 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.986 -1.647 2.303 1.00 0.00 H new ATOM 0 HG LEU A 28 7.802 -3.154 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.982 -5.519 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.757 -4.651 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.358 -4.985 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.997 -4.308 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.372 -3.772 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.206 -2.575 4.079 1.00 0.00 H new ATOM 505 N LEU A 29 6.598 0.849 2.057 1.00 0.00 N ATOM 506 CA LEU A 29 6.351 1.954 1.080 1.00 0.00 C ATOM 507 C LEU A 29 7.665 2.632 0.689 1.00 0.00 C ATOM 508 O LEU A 29 8.485 2.945 1.528 1.00 0.00 O ATOM 509 CB LEU A 29 5.435 2.940 1.809 1.00 0.00 C ATOM 510 CG LEU A 29 4.803 3.897 0.793 1.00 0.00 C ATOM 511 CD1 LEU A 29 3.309 4.038 1.085 1.00 0.00 C ATOM 512 CD2 LEU A 29 5.476 5.269 0.896 1.00 0.00 C ATOM 0 H LEU A 29 6.742 1.150 3.021 1.00 0.00 H new ATOM 0 HA LEU A 29 5.902 1.586 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.657 2.400 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.004 3.502 2.549 1.00 0.00 H new ATOM 0 HG LEU A 29 4.940 3.500 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.860 4.719 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.830 3.062 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.171 4.434 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.027 5.950 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.340 5.666 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.541 5.169 0.686 1.00 0.00 H new ATOM 524 N LYS A 30 7.866 2.860 -0.584 1.00 0.00 N ATOM 525 CA LYS A 30 9.126 3.519 -1.045 1.00 0.00 C ATOM 526 C LYS A 30 8.860 4.977 -1.438 1.00 0.00 C ATOM 527 O LYS A 30 7.729 5.424 -1.476 1.00 0.00 O ATOM 528 CB LYS A 30 9.574 2.710 -2.265 1.00 0.00 C ATOM 529 CG LYS A 30 10.435 1.530 -1.809 1.00 0.00 C ATOM 530 CD LYS A 30 11.892 1.768 -2.216 1.00 0.00 C ATOM 531 CE LYS A 30 12.166 1.094 -3.565 1.00 0.00 C ATOM 532 NZ LYS A 30 13.652 1.041 -3.684 1.00 0.00 N ATOM 0 H LYS A 30 7.210 2.617 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 30 9.885 3.538 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.704 2.348 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.140 3.344 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.364 1.412 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.069 0.606 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.091 2.837 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.563 1.368 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.733 0.094 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.726 1.662 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.919 1.003 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.066 1.890 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.009 0.193 -3.199 1.00 0.00 H new ATOM 546 N SER A 31 9.902 5.716 -1.735 1.00 0.00 N ATOM 547 CA SER A 31 9.727 7.149 -2.137 1.00 0.00 C ATOM 548 C SER A 31 9.286 7.265 -3.609 1.00 0.00 C ATOM 549 O SER A 31 9.151 8.355 -4.132 1.00 0.00 O ATOM 550 CB SER A 31 11.105 7.787 -1.936 1.00 0.00 C ATOM 551 OG SER A 31 10.949 9.063 -1.328 1.00 0.00 O ATOM 0 H SER A 31 10.868 5.389 -1.717 1.00 0.00 H new ATOM 0 HA SER A 31 8.953 7.641 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.727 7.147 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.615 7.888 -2.894 1.00 0.00 H new ATOM 0 HG SER A 31 11.830 9.473 -1.197 1.00 0.00 H new ATOM 557 N ASP A 32 9.055 6.157 -4.277 1.00 0.00 N ATOM 558 CA ASP A 32 8.617 6.213 -5.708 1.00 0.00 C ATOM 559 C ASP A 32 7.081 6.237 -5.805 1.00 0.00 C ATOM 560 O ASP A 32 6.521 6.170 -6.883 1.00 0.00 O ATOM 561 CB ASP A 32 9.175 4.931 -6.336 1.00 0.00 C ATOM 562 CG ASP A 32 9.172 5.054 -7.861 1.00 0.00 C ATOM 563 OD1 ASP A 32 9.919 5.872 -8.372 1.00 0.00 O ATOM 564 OD2 ASP A 32 8.425 4.324 -8.492 1.00 0.00 O ATOM 0 H ASP A 32 9.151 5.217 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 32 8.974 7.111 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.189 4.752 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.574 4.075 -6.030 1.00 0.00 H new ATOM 569 N GLY A 33 6.396 6.324 -4.688 1.00 0.00 N ATOM 570 CA GLY A 33 4.906 6.341 -4.717 1.00 0.00 C ATOM 571 C GLY A 33 4.393 4.913 -4.898 1.00 0.00 C ATOM 572 O GLY A 33 3.423 4.677 -5.592 1.00 0.00 O ATOM 0 H GLY A 33 6.810 6.384 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.517 6.766 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.553 6.973 -5.532 1.00 0.00 H new ATOM 576 N SER A 34 5.043 3.956 -4.283 1.00 0.00 N ATOM 577 CA SER A 34 4.601 2.537 -4.422 1.00 0.00 C ATOM 578 C SER A 34 5.012 1.729 -3.188 1.00 0.00 C ATOM 579 O SER A 34 6.115 1.865 -2.688 1.00 0.00 O ATOM 580 CB SER A 34 5.327 2.019 -5.666 1.00 0.00 C ATOM 581 OG SER A 34 4.380 1.462 -6.567 1.00 0.00 O ATOM 0 H SER A 34 5.861 4.098 -3.691 1.00 0.00 H new ATOM 0 HA SER A 34 3.518 2.449 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.870 2.832 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.063 1.267 -5.384 1.00 0.00 H new ATOM 0 HG SER A 34 4.843 1.131 -7.365 1.00 0.00 H new ATOM 587 N PHE A 35 4.142 0.876 -2.704 1.00 0.00 N ATOM 588 CA PHE A 35 4.492 0.043 -1.516 1.00 0.00 C ATOM 589 C PHE A 35 4.118 -1.422 -1.772 1.00 0.00 C ATOM 590 O PHE A 35 3.089 -1.722 -2.349 1.00 0.00 O ATOM 591 CB PHE A 35 3.737 0.637 -0.309 1.00 0.00 C ATOM 592 CG PHE A 35 2.249 0.776 -0.562 1.00 0.00 C ATOM 593 CD1 PHE A 35 1.758 1.827 -1.347 1.00 0.00 C ATOM 594 CD2 PHE A 35 1.358 -0.127 0.030 1.00 0.00 C ATOM 595 CE1 PHE A 35 0.379 1.969 -1.546 1.00 0.00 C ATOM 596 CE2 PHE A 35 -0.020 0.018 -0.164 1.00 0.00 C ATOM 597 CZ PHE A 35 -0.510 1.064 -0.952 1.00 0.00 C ATOM 0 H PHE A 35 3.207 0.722 -3.081 1.00 0.00 H new ATOM 0 HA PHE A 35 5.563 0.056 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.896 0.002 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.154 1.615 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.443 2.528 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.735 -0.937 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.001 2.776 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.706 -0.679 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.574 1.174 -1.103 1.00 0.00 H new ATOM 607 N ILE A 36 4.972 -2.331 -1.372 1.00 0.00 N ATOM 608 CA ILE A 36 4.705 -3.783 -1.614 1.00 0.00 C ATOM 609 C ILE A 36 4.271 -4.484 -0.320 1.00 0.00 C ATOM 610 O ILE A 36 4.749 -4.181 0.757 1.00 0.00 O ATOM 611 CB ILE A 36 6.045 -4.340 -2.120 1.00 0.00 C ATOM 612 CG1 ILE A 36 6.186 -4.042 -3.617 1.00 0.00 C ATOM 613 CG2 ILE A 36 6.111 -5.856 -1.902 1.00 0.00 C ATOM 614 CD1 ILE A 36 6.729 -2.626 -3.816 1.00 0.00 C ATOM 0 H ILE A 36 5.846 -2.129 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 36 3.896 -3.942 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 36 6.854 -3.865 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.856 -4.766 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.219 -4.143 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.066 -6.235 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.015 -6.075 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.299 -6.338 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.827 -2.420 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.042 -1.907 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.705 -2.540 -3.339 1.00 0.00 H new ATOM 626 N GLY A 37 3.371 -5.430 -0.433 1.00 0.00 N ATOM 627 CA GLY A 37 2.889 -6.176 0.765 1.00 0.00 C ATOM 628 C GLY A 37 3.532 -7.565 0.810 1.00 0.00 C ATOM 629 O GLY A 37 3.567 -8.280 -0.176 1.00 0.00 O ATOM 0 H GLY A 37 2.947 -5.718 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.135 -5.623 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.803 -6.269 0.733 1.00 0.00 H new ATOM 633 N TYR A 38 4.033 -7.947 1.956 1.00 0.00 N ATOM 634 CA TYR A 38 4.677 -9.286 2.105 1.00 0.00 C ATOM 635 C TYR A 38 3.910 -10.121 3.136 1.00 0.00 C ATOM 636 O TYR A 38 3.519 -9.622 4.176 1.00 0.00 O ATOM 637 CB TYR A 38 6.087 -8.991 2.628 1.00 0.00 C ATOM 638 CG TYR A 38 7.075 -8.958 1.488 1.00 0.00 C ATOM 639 CD1 TYR A 38 7.681 -10.143 1.053 1.00 0.00 C ATOM 640 CD2 TYR A 38 7.395 -7.742 0.874 1.00 0.00 C ATOM 641 CE1 TYR A 38 8.605 -10.111 0.004 1.00 0.00 C ATOM 642 CE2 TYR A 38 8.321 -7.709 -0.175 1.00 0.00 C ATOM 643 CZ TYR A 38 8.927 -8.894 -0.610 1.00 0.00 C ATOM 644 OH TYR A 38 9.838 -8.860 -1.648 1.00 0.00 O ATOM 0 H TYR A 38 4.023 -7.381 2.805 1.00 0.00 H new ATOM 0 HA TYR A 38 4.689 -9.844 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.095 -8.035 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.381 -9.753 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.435 -11.081 1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.927 -6.828 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.071 -11.025 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.568 -6.770 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 38 10.369 -9.683 -1.644 1.00 0.00 H new ATOM 654 N LYS A 39 3.712 -11.389 2.871 1.00 0.00 N ATOM 655 CA LYS A 39 2.989 -12.256 3.857 1.00 0.00 C ATOM 656 C LYS A 39 3.742 -12.245 5.195 1.00 0.00 C ATOM 657 O LYS A 39 3.156 -12.069 6.248 1.00 0.00 O ATOM 658 CB LYS A 39 2.995 -13.661 3.240 1.00 0.00 C ATOM 659 CG LYS A 39 2.396 -14.670 4.228 1.00 0.00 C ATOM 660 CD LYS A 39 2.735 -16.095 3.779 1.00 0.00 C ATOM 661 CE LYS A 39 3.811 -16.685 4.700 1.00 0.00 C ATOM 662 NZ LYS A 39 3.959 -18.107 4.270 1.00 0.00 N ATOM 0 H LYS A 39 4.017 -11.861 2.020 1.00 0.00 H new ATOM 0 HA LYS A 39 1.973 -11.913 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.421 -13.663 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.014 -13.951 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.789 -14.491 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.315 -14.543 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.840 -16.717 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.089 -16.087 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.752 -16.144 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.513 -16.619 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.680 -18.574 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.050 -18.600 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.251 -18.139 3.272 1.00 0.00 H new ATOM 676 N GLU A 40 5.040 -12.416 5.148 1.00 0.00 N ATOM 677 CA GLU A 40 5.858 -12.407 6.397 1.00 0.00 C ATOM 678 C GLU A 40 6.970 -11.357 6.268 1.00 0.00 C ATOM 679 O GLU A 40 6.856 -10.420 5.497 1.00 0.00 O ATOM 680 CB GLU A 40 6.437 -13.825 6.494 1.00 0.00 C ATOM 681 CG GLU A 40 5.863 -14.525 7.732 1.00 0.00 C ATOM 682 CD GLU A 40 6.813 -14.343 8.920 1.00 0.00 C ATOM 683 OE1 GLU A 40 7.042 -13.206 9.307 1.00 0.00 O ATOM 684 OE2 GLU A 40 7.292 -15.345 9.424 1.00 0.00 O ATOM 0 H GLU A 40 5.571 -12.563 4.290 1.00 0.00 H new ATOM 0 HA GLU A 40 5.283 -12.152 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.192 -14.392 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.524 -13.782 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.883 -14.113 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.721 -15.586 7.528 1.00 0.00 H new ATOM 691 N ARG A 41 8.043 -11.499 7.007 1.00 0.00 N ATOM 692 CA ARG A 41 9.153 -10.502 6.910 1.00 0.00 C ATOM 693 C ARG A 41 10.446 -11.179 6.419 1.00 0.00 C ATOM 694 O ARG A 41 11.411 -11.279 7.156 1.00 0.00 O ATOM 695 CB ARG A 41 9.328 -9.957 8.330 1.00 0.00 C ATOM 696 CG ARG A 41 8.330 -8.820 8.563 1.00 0.00 C ATOM 697 CD ARG A 41 8.631 -8.135 9.900 1.00 0.00 C ATOM 698 NE ARG A 41 8.375 -9.176 10.941 1.00 0.00 N ATOM 699 CZ ARG A 41 8.722 -8.977 12.192 1.00 0.00 C ATOM 700 NH1 ARG A 41 9.286 -7.850 12.561 1.00 0.00 N ATOM 701 NH2 ARG A 41 8.499 -9.912 13.080 1.00 0.00 N ATOM 0 H ARG A 41 8.198 -12.259 7.670 1.00 0.00 H new ATOM 0 HA ARG A 41 8.929 -9.708 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.168 -10.752 9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.347 -9.596 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.392 -8.096 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.312 -9.211 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.662 -7.784 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.992 -7.264 10.049 1.00 0.00 H new ATOM 0 HE ARG A 41 7.925 -10.052 10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.459 -7.117 11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.551 -7.707 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.059 -10.788 12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.766 -9.765 14.053 1.00 0.00 H new ATOM 715 N PRO A 42 10.428 -11.620 5.180 1.00 0.00 N ATOM 716 CA PRO A 42 11.621 -12.287 4.590 1.00 0.00 C ATOM 717 C PRO A 42 12.719 -11.254 4.304 1.00 0.00 C ATOM 718 O PRO A 42 12.437 -10.106 4.025 1.00 0.00 O ATOM 719 CB PRO A 42 11.089 -12.890 3.292 1.00 0.00 C ATOM 720 CG PRO A 42 9.902 -12.055 2.933 1.00 0.00 C ATOM 721 CD PRO A 42 9.315 -11.544 4.222 1.00 0.00 C ATOM 0 HA PRO A 42 12.067 -13.033 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.843 -12.862 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.810 -13.935 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.195 -11.227 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.169 -12.644 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.950 -10.522 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.470 -12.153 4.544 1.00 0.00 H new ATOM 729 N GLU A 43 13.965 -11.655 4.376 1.00 0.00 N ATOM 730 CA GLU A 43 15.085 -10.693 4.113 1.00 0.00 C ATOM 731 C GLU A 43 16.416 -11.444 3.946 1.00 0.00 C ATOM 732 O GLU A 43 17.448 -11.010 4.422 1.00 0.00 O ATOM 733 CB GLU A 43 15.132 -9.804 5.356 1.00 0.00 C ATOM 734 CG GLU A 43 15.294 -8.337 4.942 1.00 0.00 C ATOM 735 CD GLU A 43 13.915 -7.695 4.761 1.00 0.00 C ATOM 736 OE1 GLU A 43 13.265 -7.440 5.762 1.00 0.00 O ATOM 737 OE2 GLU A 43 13.534 -7.468 3.623 1.00 0.00 O ATOM 0 H GLU A 43 14.256 -12.605 4.605 1.00 0.00 H new ATOM 0 HA GLU A 43 14.929 -10.122 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.218 -9.928 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.961 -10.104 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.861 -7.796 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.861 -8.272 4.013 1.00 0.00 H new ATOM 744 N ALA A 44 16.396 -12.567 3.280 1.00 0.00 N ATOM 745 CA ALA A 44 17.654 -13.352 3.090 1.00 0.00 C ATOM 746 C ALA A 44 18.543 -12.709 2.015 1.00 0.00 C ATOM 747 O ALA A 44 18.093 -12.432 0.919 1.00 0.00 O ATOM 748 CB ALA A 44 17.201 -14.742 2.646 1.00 0.00 C ATOM 0 H ALA A 44 15.563 -12.977 2.858 1.00 0.00 H new ATOM 0 HA ALA A 44 18.246 -13.388 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 44 18.074 -15.376 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.569 -15.182 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.637 -14.661 1.717 1.00 0.00 H new ATOM 754 N PRO A 45 19.787 -12.501 2.373 1.00 0.00 N ATOM 755 CA PRO A 45 20.769 -11.891 1.440 1.00 0.00 C ATOM 756 C PRO A 45 21.271 -12.923 0.414 1.00 0.00 C ATOM 757 O PRO A 45 21.769 -12.567 -0.638 1.00 0.00 O ATOM 758 CB PRO A 45 21.906 -11.453 2.359 1.00 0.00 C ATOM 759 CG PRO A 45 21.814 -12.345 3.559 1.00 0.00 C ATOM 760 CD PRO A 45 20.383 -12.812 3.676 1.00 0.00 C ATOM 0 HA PRO A 45 20.346 -11.072 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 45 22.872 -11.557 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 45 21.803 -10.405 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 45 22.487 -13.196 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 45 22.116 -11.808 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 45 20.330 -13.879 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 45 19.862 -12.297 4.484 1.00 0.00 H new ATOM 768 N ASP A 46 21.146 -14.194 0.714 1.00 0.00 N ATOM 769 CA ASP A 46 21.617 -15.251 -0.236 1.00 0.00 C ATOM 770 C ASP A 46 20.473 -15.687 -1.164 1.00 0.00 C ATOM 771 O ASP A 46 20.703 -16.223 -2.232 1.00 0.00 O ATOM 772 CB ASP A 46 22.063 -16.424 0.650 1.00 0.00 C ATOM 773 CG ASP A 46 22.914 -15.908 1.816 1.00 0.00 C ATOM 774 OD1 ASP A 46 24.056 -15.553 1.580 1.00 0.00 O ATOM 775 OD2 ASP A 46 22.405 -15.873 2.924 1.00 0.00 O ATOM 0 H ASP A 46 20.736 -14.546 1.579 1.00 0.00 H new ATOM 0 HA ASP A 46 22.425 -14.892 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 46 21.190 -16.953 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 22.636 -17.139 0.059 1.00 0.00 H new ATOM 780 N GLN A 47 19.245 -15.457 -0.764 1.00 0.00 N ATOM 781 CA GLN A 47 18.080 -15.851 -1.610 1.00 0.00 C ATOM 782 C GLN A 47 16.966 -14.806 -1.460 1.00 0.00 C ATOM 783 O GLN A 47 15.905 -15.081 -0.927 1.00 0.00 O ATOM 784 CB GLN A 47 17.636 -17.221 -1.075 1.00 0.00 C ATOM 785 CG GLN A 47 17.295 -17.118 0.418 1.00 0.00 C ATOM 786 CD GLN A 47 16.144 -18.068 0.753 1.00 0.00 C ATOM 787 OE1 GLN A 47 16.279 -18.929 1.599 1.00 0.00 O ATOM 788 NE2 GLN A 47 15.005 -17.948 0.125 1.00 0.00 N ATOM 0 H GLN A 47 19.001 -15.010 0.120 1.00 0.00 H new ATOM 0 HA GLN A 47 18.325 -15.907 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.767 -17.573 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.429 -17.953 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.170 -17.366 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.018 -16.094 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.888 -17.226 -0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.232 -18.576 0.346 1.00 0.00 H new ATOM 797 N THR A 48 17.216 -13.603 -1.919 1.00 0.00 N ATOM 798 CA THR A 48 16.197 -12.511 -1.808 1.00 0.00 C ATOM 799 C THR A 48 14.803 -13.017 -2.216 1.00 0.00 C ATOM 800 O THR A 48 14.635 -13.673 -3.227 1.00 0.00 O ATOM 801 CB THR A 48 16.685 -11.412 -2.760 1.00 0.00 C ATOM 802 OG1 THR A 48 15.825 -10.287 -2.663 1.00 0.00 O ATOM 803 CG2 THR A 48 16.688 -11.933 -4.200 1.00 0.00 C ATOM 0 H THR A 48 18.089 -13.329 -2.369 1.00 0.00 H new ATOM 0 HA THR A 48 16.099 -12.147 -0.785 1.00 0.00 H new ATOM 0 HB THR A 48 17.699 -11.122 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.137 -9.583 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.036 -11.147 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.353 -12.794 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.678 -12.230 -4.482 1.00 0.00 H new ATOM 811 N LEU A 49 13.810 -12.728 -1.418 1.00 0.00 N ATOM 812 CA LEU A 49 12.425 -13.198 -1.733 1.00 0.00 C ATOM 813 C LEU A 49 11.653 -12.121 -2.513 1.00 0.00 C ATOM 814 O LEU A 49 11.722 -10.951 -2.186 1.00 0.00 O ATOM 815 CB LEU A 49 11.775 -13.460 -0.371 1.00 0.00 C ATOM 816 CG LEU A 49 12.475 -14.644 0.310 1.00 0.00 C ATOM 817 CD1 LEU A 49 13.500 -14.126 1.325 1.00 0.00 C ATOM 818 CD2 LEU A 49 11.437 -15.509 1.031 1.00 0.00 C ATOM 0 H LEU A 49 13.896 -12.185 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 49 12.426 -14.090 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.848 -12.571 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.714 -13.675 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 49 12.985 -15.241 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.994 -14.970 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.243 -13.514 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.993 -13.525 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.936 -16.349 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.924 -14.910 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.711 -15.884 0.309 1.00 0.00 H new ATOM 830 N PRO A 50 10.941 -12.560 -3.527 1.00 0.00 N ATOM 831 CA PRO A 50 10.149 -11.625 -4.373 1.00 0.00 C ATOM 832 C PRO A 50 8.929 -11.085 -3.606 1.00 0.00 C ATOM 833 O PRO A 50 8.464 -11.702 -2.666 1.00 0.00 O ATOM 834 CB PRO A 50 9.713 -12.490 -5.553 1.00 0.00 C ATOM 835 CG PRO A 50 9.732 -13.892 -5.033 1.00 0.00 C ATOM 836 CD PRO A 50 10.806 -13.953 -3.979 1.00 0.00 C ATOM 0 HA PRO A 50 10.718 -10.747 -4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.718 -12.211 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.390 -12.374 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.763 -14.161 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.939 -14.599 -5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.523 -14.613 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.743 -14.333 -4.386 1.00 0.00 H new ATOM 844 N PRO A 51 8.455 -9.939 -4.041 1.00 0.00 N ATOM 845 CA PRO A 51 7.279 -9.293 -3.394 1.00 0.00 C ATOM 846 C PRO A 51 5.981 -10.037 -3.736 1.00 0.00 C ATOM 847 O PRO A 51 5.741 -10.393 -4.876 1.00 0.00 O ATOM 848 CB PRO A 51 7.272 -7.888 -3.989 1.00 0.00 C ATOM 849 CG PRO A 51 7.977 -8.015 -5.301 1.00 0.00 C ATOM 850 CD PRO A 51 8.967 -9.143 -5.166 1.00 0.00 C ATOM 0 HA PRO A 51 7.342 -9.295 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.254 -7.522 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.782 -7.181 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.266 -8.220 -6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.485 -7.085 -5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.023 -9.735 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.971 -8.770 -4.965 1.00 0.00 H new ATOM 858 N LEU A 52 5.139 -10.266 -2.754 1.00 0.00 N ATOM 859 CA LEU A 52 3.851 -10.983 -3.018 1.00 0.00 C ATOM 860 C LEU A 52 2.782 -9.992 -3.499 1.00 0.00 C ATOM 861 O LEU A 52 2.128 -10.214 -4.500 1.00 0.00 O ATOM 862 CB LEU A 52 3.449 -11.600 -1.673 1.00 0.00 C ATOM 863 CG LEU A 52 3.741 -13.104 -1.691 1.00 0.00 C ATOM 864 CD1 LEU A 52 5.218 -13.344 -1.370 1.00 0.00 C ATOM 865 CD2 LEU A 52 2.872 -13.807 -0.642 1.00 0.00 C ATOM 0 H LEU A 52 5.288 -9.988 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 52 3.954 -11.741 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.000 -11.122 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.390 -11.427 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 52 3.514 -13.504 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.424 -14.414 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.838 -12.846 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.446 -12.943 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.080 -14.877 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.098 -13.405 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.819 -13.639 -0.870 1.00 0.00 H new ATOM 877 N ASN A 53 2.605 -8.903 -2.791 1.00 0.00 N ATOM 878 CA ASN A 53 1.582 -7.893 -3.202 1.00 0.00 C ATOM 879 C ASN A 53 2.273 -6.608 -3.670 1.00 0.00 C ATOM 880 O ASN A 53 3.180 -6.115 -3.029 1.00 0.00 O ATOM 881 CB ASN A 53 0.751 -7.632 -1.942 1.00 0.00 C ATOM 882 CG ASN A 53 -0.249 -8.774 -1.743 1.00 0.00 C ATOM 883 OD1 ASN A 53 0.078 -9.788 -1.159 1.00 0.00 O ATOM 884 ND2 ASN A 53 -1.463 -8.655 -2.207 1.00 0.00 N ATOM 0 H ASN A 53 3.126 -8.670 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 53 0.963 -8.241 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.404 -7.551 -1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.222 -6.683 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.134 -9.412 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.740 -7.805 -2.698 1.00 0.00 H new ATOM 891 N ASN A 54 1.852 -6.062 -4.783 1.00 0.00 N ATOM 892 CA ASN A 54 2.487 -4.806 -5.293 1.00 0.00 C ATOM 893 C ASN A 54 1.444 -3.685 -5.382 1.00 0.00 C ATOM 894 O ASN A 54 0.563 -3.712 -6.220 1.00 0.00 O ATOM 895 CB ASN A 54 3.018 -5.168 -6.684 1.00 0.00 C ATOM 896 CG ASN A 54 4.401 -4.546 -6.884 1.00 0.00 C ATOM 897 OD1 ASN A 54 5.376 -5.018 -6.334 1.00 0.00 O ATOM 898 ND2 ASN A 54 4.529 -3.498 -7.652 1.00 0.00 N ATOM 0 H ASN A 54 1.097 -6.430 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 54 3.280 -4.445 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.076 -6.251 -6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.332 -4.808 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.447 -3.076 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.711 -3.101 -8.114 1.00 0.00 H new ATOM 905 N PHE A 55 1.539 -2.699 -4.523 1.00 0.00 N ATOM 906 CA PHE A 55 0.550 -1.577 -4.553 1.00 0.00 C ATOM 907 C PHE A 55 1.218 -0.288 -5.045 1.00 0.00 C ATOM 908 O PHE A 55 2.180 0.184 -4.465 1.00 0.00 O ATOM 909 CB PHE A 55 0.085 -1.423 -3.102 1.00 0.00 C ATOM 910 CG PHE A 55 -1.395 -1.119 -3.065 1.00 0.00 C ATOM 911 CD1 PHE A 55 -1.902 -0.004 -3.746 1.00 0.00 C ATOM 912 CD2 PHE A 55 -2.260 -1.949 -2.342 1.00 0.00 C ATOM 913 CE1 PHE A 55 -3.273 0.278 -3.705 1.00 0.00 C ATOM 914 CE2 PHE A 55 -3.630 -1.667 -2.301 1.00 0.00 C ATOM 915 CZ PHE A 55 -4.136 -0.554 -2.981 1.00 0.00 C ATOM 0 H PHE A 55 2.258 -2.623 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.280 -1.777 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.291 -2.338 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.642 -0.622 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.235 0.638 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.870 -2.807 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.664 1.136 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.297 -2.309 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.193 -0.336 -2.948 1.00 0.00 H new ATOM 925 N SER A 56 0.712 0.288 -6.106 1.00 0.00 N ATOM 926 CA SER A 56 1.312 1.550 -6.640 1.00 0.00 C ATOM 927 C SER A 56 0.322 2.713 -6.510 1.00 0.00 C ATOM 928 O SER A 56 -0.845 2.588 -6.833 1.00 0.00 O ATOM 929 CB SER A 56 1.605 1.259 -8.113 1.00 0.00 C ATOM 930 OG SER A 56 2.333 2.347 -8.671 1.00 0.00 O ATOM 0 H SER A 56 -0.092 -0.061 -6.627 1.00 0.00 H new ATOM 0 HA SER A 56 2.210 1.839 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.178 0.337 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.673 1.112 -8.659 1.00 0.00 H new ATOM 0 HG SER A 56 3.187 2.444 -8.201 1.00 0.00 H new ATOM 936 N VAL A 57 0.785 3.847 -6.043 1.00 0.00 N ATOM 937 CA VAL A 57 -0.117 5.029 -5.894 1.00 0.00 C ATOM 938 C VAL A 57 0.401 6.214 -6.735 1.00 0.00 C ATOM 939 O VAL A 57 0.172 7.364 -6.409 1.00 0.00 O ATOM 940 CB VAL A 57 -0.108 5.349 -4.387 1.00 0.00 C ATOM 941 CG1 VAL A 57 1.265 5.879 -3.958 1.00 0.00 C ATOM 942 CG2 VAL A 57 -1.178 6.403 -4.079 1.00 0.00 C ATOM 0 H VAL A 57 1.752 4.004 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.128 4.831 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.321 4.433 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.253 6.100 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.026 5.126 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.494 6.788 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.170 6.628 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.967 7.311 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.158 6.020 -4.362 1.00 0.00 H new ATOM 952 N ALA A 58 1.082 5.940 -7.825 1.00 0.00 N ATOM 953 CA ALA A 58 1.599 7.049 -8.692 1.00 0.00 C ATOM 954 C ALA A 58 0.434 7.757 -9.398 1.00 0.00 C ATOM 955 O ALA A 58 0.397 8.969 -9.485 1.00 0.00 O ATOM 956 CB ALA A 58 2.509 6.368 -9.718 1.00 0.00 C ATOM 0 H ALA A 58 1.301 4.999 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 58 2.132 7.805 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.926 7.119 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.319 5.854 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.931 5.646 -10.295 1.00 0.00 H new ATOM 962 N GLU A 59 -0.516 7.003 -9.899 1.00 0.00 N ATOM 963 CA GLU A 59 -1.685 7.619 -10.600 1.00 0.00 C ATOM 964 C GLU A 59 -2.965 7.435 -9.771 1.00 0.00 C ATOM 965 O GLU A 59 -2.984 6.716 -8.789 1.00 0.00 O ATOM 966 CB GLU A 59 -1.795 6.861 -11.928 1.00 0.00 C ATOM 967 CG GLU A 59 -0.907 7.533 -12.981 1.00 0.00 C ATOM 968 CD GLU A 59 -0.621 6.546 -14.117 1.00 0.00 C ATOM 969 OE1 GLU A 59 -1.494 6.358 -14.949 1.00 0.00 O ATOM 970 OE2 GLU A 59 0.469 5.996 -14.137 1.00 0.00 O ATOM 0 H GLU A 59 -0.531 5.984 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.556 8.691 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.492 5.823 -11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.831 6.849 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.400 8.422 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.028 7.862 -12.527 1.00 0.00 H new ATOM 977 N CYS A 60 -4.038 8.083 -10.177 1.00 0.00 N ATOM 978 CA CYS A 60 -5.344 7.968 -9.445 1.00 0.00 C ATOM 979 C CYS A 60 -5.194 8.388 -7.972 1.00 0.00 C ATOM 980 O CYS A 60 -4.237 9.041 -7.601 1.00 0.00 O ATOM 981 CB CYS A 60 -5.748 6.494 -9.570 1.00 0.00 C ATOM 982 SG CYS A 60 -6.983 6.325 -10.883 1.00 0.00 S ATOM 0 H CYS A 60 -4.062 8.693 -10.994 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.104 8.628 -9.864 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.874 5.883 -9.795 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.153 6.134 -8.624 1.00 0.00 H new ATOM 987 N GLN A 61 -6.142 8.032 -7.133 1.00 0.00 N ATOM 988 CA GLN A 61 -6.056 8.428 -5.693 1.00 0.00 C ATOM 989 C GLN A 61 -6.764 7.402 -4.791 1.00 0.00 C ATOM 990 O GLN A 61 -7.563 6.603 -5.245 1.00 0.00 O ATOM 991 CB GLN A 61 -6.749 9.801 -5.617 1.00 0.00 C ATOM 992 CG GLN A 61 -8.273 9.640 -5.469 1.00 0.00 C ATOM 993 CD GLN A 61 -8.878 9.137 -6.784 1.00 0.00 C ATOM 994 OE1 GLN A 61 -8.827 9.816 -7.789 1.00 0.00 O ATOM 995 NE2 GLN A 61 -9.453 7.966 -6.822 1.00 0.00 N ATOM 0 H GLN A 61 -6.967 7.487 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.024 8.471 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.355 10.365 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.526 10.376 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.496 8.939 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.723 10.594 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.498 7.392 -5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.857 7.624 -7.694 1.00 0.00 H new ATOM 1004 N LEU A 62 -6.475 7.435 -3.514 1.00 0.00 N ATOM 1005 CA LEU A 62 -7.125 6.482 -2.561 1.00 0.00 C ATOM 1006 C LEU A 62 -8.007 7.258 -1.574 1.00 0.00 C ATOM 1007 O LEU A 62 -7.812 8.440 -1.355 1.00 0.00 O ATOM 1008 CB LEU A 62 -5.971 5.799 -1.821 1.00 0.00 C ATOM 1009 CG LEU A 62 -5.339 4.733 -2.720 1.00 0.00 C ATOM 1010 CD1 LEU A 62 -4.208 5.357 -3.540 1.00 0.00 C ATOM 1011 CD2 LEU A 62 -4.777 3.603 -1.853 1.00 0.00 C ATOM 0 H LEU A 62 -5.814 8.084 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.762 5.758 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.222 6.538 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.336 5.342 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.096 4.333 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.760 4.596 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.608 6.161 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.450 5.759 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.327 2.843 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.021 4.004 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.583 3.156 -1.271 1.00 0.00 H new ATOM 1023 N MET A 63 -8.969 6.602 -0.977 1.00 0.00 N ATOM 1024 CA MET A 63 -9.863 7.300 -0.004 1.00 0.00 C ATOM 1025 C MET A 63 -9.930 6.529 1.320 1.00 0.00 C ATOM 1026 O MET A 63 -9.991 5.313 1.341 1.00 0.00 O ATOM 1027 CB MET A 63 -11.243 7.352 -0.678 1.00 0.00 C ATOM 1028 CG MET A 63 -11.758 5.934 -0.956 1.00 0.00 C ATOM 1029 SD MET A 63 -12.097 5.749 -2.725 1.00 0.00 S ATOM 1030 CE MET A 63 -13.685 4.896 -2.569 1.00 0.00 C ATOM 0 H MET A 63 -9.174 5.613 -1.121 1.00 0.00 H new ATOM 0 HA MET A 63 -9.497 8.298 0.237 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.948 7.882 -0.037 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.178 7.911 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.019 5.199 -0.638 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.664 5.745 -0.380 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.820 4.221 -3.414 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.701 4.324 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.492 5.629 -2.557 1.00 0.00 H new ATOM 1040 N LYS A 64 -9.925 7.230 2.424 1.00 0.00 N ATOM 1041 CA LYS A 64 -9.997 6.546 3.752 1.00 0.00 C ATOM 1042 C LYS A 64 -11.458 6.246 4.097 1.00 0.00 C ATOM 1043 O LYS A 64 -12.317 7.103 3.988 1.00 0.00 O ATOM 1044 CB LYS A 64 -9.404 7.540 4.755 1.00 0.00 C ATOM 1045 CG LYS A 64 -7.901 7.696 4.505 1.00 0.00 C ATOM 1046 CD LYS A 64 -7.395 8.961 5.204 1.00 0.00 C ATOM 1047 CE LYS A 64 -7.729 10.192 4.351 1.00 0.00 C ATOM 1048 NZ LYS A 64 -8.655 11.013 5.185 1.00 0.00 N ATOM 0 H LYS A 64 -9.874 8.248 2.464 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.457 5.599 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.900 8.506 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.578 7.191 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.367 6.823 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.704 7.756 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.855 9.053 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.318 8.896 5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.828 10.751 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.199 9.903 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.069 11.768 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.414 10.408 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.128 11.436 5.976 1.00 0.00 H new ATOM 1062 N THR A 65 -11.749 5.035 4.502 1.00 0.00 N ATOM 1063 CA THR A 65 -13.159 4.675 4.842 1.00 0.00 C ATOM 1064 C THR A 65 -13.231 3.946 6.194 1.00 0.00 C ATOM 1065 O THR A 65 -12.229 3.720 6.850 1.00 0.00 O ATOM 1066 CB THR A 65 -13.617 3.761 3.696 1.00 0.00 C ATOM 1067 OG1 THR A 65 -15.023 3.579 3.774 1.00 0.00 O ATOM 1068 CG2 THR A 65 -12.914 2.400 3.791 1.00 0.00 C ATOM 0 H THR A 65 -11.071 4.281 4.612 1.00 0.00 H new ATOM 0 HA THR A 65 -13.795 5.555 4.942 1.00 0.00 H new ATOM 0 HB THR A 65 -13.359 4.224 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.319 2.997 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.247 1.761 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.835 2.542 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.160 1.929 4.743 1.00 0.00 H new ATOM 1076 N GLU A 66 -14.417 3.574 6.605 1.00 0.00 N ATOM 1077 CA GLU A 66 -14.584 2.854 7.906 1.00 0.00 C ATOM 1078 C GLU A 66 -15.358 1.542 7.699 1.00 0.00 C ATOM 1079 O GLU A 66 -15.918 0.992 8.630 1.00 0.00 O ATOM 1080 CB GLU A 66 -15.366 3.823 8.809 1.00 0.00 C ATOM 1081 CG GLU A 66 -16.808 3.988 8.305 1.00 0.00 C ATOM 1082 CD GLU A 66 -16.857 5.058 7.211 1.00 0.00 C ATOM 1083 OE1 GLU A 66 -16.682 6.222 7.535 1.00 0.00 O ATOM 1084 OE2 GLU A 66 -17.062 4.693 6.064 1.00 0.00 O ATOM 0 H GLU A 66 -15.283 3.739 6.092 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.627 2.580 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.374 3.449 9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.868 4.793 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.177 3.039 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.461 4.269 9.131 1.00 0.00 H new ATOM 1091 N ARG A 67 -15.389 1.034 6.489 1.00 0.00 N ATOM 1092 CA ARG A 67 -16.120 -0.238 6.221 1.00 0.00 C ATOM 1093 C ARG A 67 -15.213 -1.211 5.451 1.00 0.00 C ATOM 1094 O ARG A 67 -14.501 -0.804 4.552 1.00 0.00 O ATOM 1095 CB ARG A 67 -17.323 0.167 5.366 1.00 0.00 C ATOM 1096 CG ARG A 67 -18.398 0.797 6.258 1.00 0.00 C ATOM 1097 CD ARG A 67 -19.272 1.742 5.424 1.00 0.00 C ATOM 1098 NE ARG A 67 -20.568 1.020 5.228 1.00 0.00 N ATOM 1099 CZ ARG A 67 -21.532 1.551 4.508 1.00 0.00 C ATOM 1100 NH1 ARG A 67 -21.379 2.728 3.949 1.00 0.00 N ATOM 1101 NH2 ARG A 67 -22.655 0.899 4.348 1.00 0.00 N ATOM 0 H ARG A 67 -14.937 1.450 5.675 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.426 -0.743 7.137 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.014 0.875 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.727 -0.705 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.014 0.018 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.930 1.345 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.425 2.691 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.801 1.970 4.468 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.705 0.105 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.506 3.241 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.133 3.130 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.779 -0.016 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.406 1.306 3.791 1.00 0.00 H new ATOM 1115 N PRO A 68 -15.265 -2.473 5.822 1.00 0.00 N ATOM 1116 CA PRO A 68 -16.150 -2.938 6.930 1.00 0.00 C ATOM 1117 C PRO A 68 -15.619 -2.489 8.305 1.00 0.00 C ATOM 1118 O PRO A 68 -16.376 -2.362 9.250 1.00 0.00 O ATOM 1119 CB PRO A 68 -16.107 -4.459 6.807 1.00 0.00 C ATOM 1120 CG PRO A 68 -14.813 -4.758 6.121 1.00 0.00 C ATOM 1121 CD PRO A 68 -14.503 -3.583 5.233 1.00 0.00 C ATOM 0 HA PRO A 68 -17.157 -2.528 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.153 -4.935 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.954 -4.832 6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.017 -4.911 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.890 -5.674 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.435 -3.368 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.806 -3.772 4.203 1.00 0.00 H new ATOM 1129 N ARG A 69 -14.332 -2.250 8.423 1.00 0.00 N ATOM 1130 CA ARG A 69 -13.762 -1.811 9.736 1.00 0.00 C ATOM 1131 C ARG A 69 -13.274 -0.359 9.647 1.00 0.00 C ATOM 1132 O ARG A 69 -13.043 0.149 8.566 1.00 0.00 O ATOM 1133 CB ARG A 69 -12.584 -2.756 9.998 1.00 0.00 C ATOM 1134 CG ARG A 69 -13.093 -4.069 10.598 1.00 0.00 C ATOM 1135 CD ARG A 69 -11.900 -4.959 10.968 1.00 0.00 C ATOM 1136 NE ARG A 69 -11.476 -4.505 12.330 1.00 0.00 N ATOM 1137 CZ ARG A 69 -10.247 -4.706 12.761 1.00 0.00 C ATOM 1138 NH1 ARG A 69 -9.360 -5.308 12.007 1.00 0.00 N ATOM 1139 NH2 ARG A 69 -9.908 -4.300 13.957 1.00 0.00 N ATOM 0 H ARG A 69 -13.654 -2.340 7.666 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.501 -1.849 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.051 -2.954 9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.874 -2.286 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.697 -3.867 11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.736 -4.583 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.182 -6.012 10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.090 -4.850 10.247 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.149 -4.033 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.617 -5.628 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.412 -5.457 12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.593 -3.831 14.550 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.959 -4.452 14.297 1.00 0.00 H new ATOM 1153 N PRO A 70 -13.126 0.263 10.794 1.00 0.00 N ATOM 1154 CA PRO A 70 -12.657 1.675 10.850 1.00 0.00 C ATOM 1155 C PRO A 70 -11.192 1.778 10.401 1.00 0.00 C ATOM 1156 O PRO A 70 -10.459 0.805 10.420 1.00 0.00 O ATOM 1157 CB PRO A 70 -12.811 2.046 12.325 1.00 0.00 C ATOM 1158 CG PRO A 70 -12.755 0.742 13.052 1.00 0.00 C ATOM 1159 CD PRO A 70 -13.371 -0.282 12.138 1.00 0.00 C ATOM 0 HA PRO A 70 -13.216 2.339 10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.014 2.715 12.650 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.754 2.561 12.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.726 0.477 13.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.300 0.799 13.994 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.909 -1.261 12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.436 -0.404 12.333 1.00 0.00 H new ATOM 1167 N ASN A 71 -10.771 2.955 9.993 1.00 0.00 N ATOM 1168 CA ASN A 71 -9.359 3.157 9.527 1.00 0.00 C ATOM 1169 C ASN A 71 -9.042 2.204 8.366 1.00 0.00 C ATOM 1170 O ASN A 71 -8.196 1.333 8.469 1.00 0.00 O ATOM 1171 CB ASN A 71 -8.471 2.869 10.744 1.00 0.00 C ATOM 1172 CG ASN A 71 -8.940 3.692 11.951 1.00 0.00 C ATOM 1173 OD1 ASN A 71 -8.724 4.885 12.007 1.00 0.00 O ATOM 1174 ND2 ASN A 71 -9.572 3.097 12.927 1.00 0.00 N ATOM 0 H ASN A 71 -11.352 3.793 9.963 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.192 4.168 9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.505 1.806 10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.434 3.110 10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.884 3.635 13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.754 2.094 12.881 1.00 0.00 H new ATOM 1181 N THR A 72 -9.723 2.370 7.261 1.00 0.00 N ATOM 1182 CA THR A 72 -9.484 1.490 6.078 1.00 0.00 C ATOM 1183 C THR A 72 -9.152 2.345 4.847 1.00 0.00 C ATOM 1184 O THR A 72 -9.509 3.507 4.771 1.00 0.00 O ATOM 1185 CB THR A 72 -10.802 0.730 5.888 1.00 0.00 C ATOM 1186 OG1 THR A 72 -10.935 -0.233 6.924 1.00 0.00 O ATOM 1187 CG2 THR A 72 -10.814 0.019 4.532 1.00 0.00 C ATOM 0 H THR A 72 -10.440 3.083 7.127 1.00 0.00 H new ATOM 0 HA THR A 72 -8.644 0.810 6.218 1.00 0.00 H new ATOM 0 HB THR A 72 -11.631 1.437 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.793 -0.106 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.755 -0.517 4.410 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.709 0.755 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.986 -0.688 4.484 1.00 0.00 H new ATOM 1195 N PHE A 73 -8.468 1.778 3.886 1.00 0.00 N ATOM 1196 CA PHE A 73 -8.103 2.551 2.660 1.00 0.00 C ATOM 1197 C PHE A 73 -8.727 1.903 1.419 1.00 0.00 C ATOM 1198 O PHE A 73 -8.584 0.717 1.191 1.00 0.00 O ATOM 1199 CB PHE A 73 -6.578 2.473 2.586 1.00 0.00 C ATOM 1200 CG PHE A 73 -5.971 3.752 3.113 1.00 0.00 C ATOM 1201 CD1 PHE A 73 -5.911 4.888 2.296 1.00 0.00 C ATOM 1202 CD2 PHE A 73 -5.463 3.798 4.416 1.00 0.00 C ATOM 1203 CE1 PHE A 73 -5.342 6.070 2.784 1.00 0.00 C ATOM 1204 CE2 PHE A 73 -4.896 4.980 4.904 1.00 0.00 C ATOM 1205 CZ PHE A 73 -4.834 6.116 4.088 1.00 0.00 C ATOM 0 H PHE A 73 -8.146 0.810 3.898 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.462 3.579 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.220 1.624 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.263 2.309 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.303 4.852 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.509 2.921 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.295 6.947 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.506 5.016 5.910 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.394 7.028 4.464 1.00 0.00 H new ATOM 1215 N VAL A 74 -9.411 2.678 0.614 1.00 0.00 N ATOM 1216 CA VAL A 74 -10.044 2.112 -0.619 1.00 0.00 C ATOM 1217 C VAL A 74 -9.512 2.829 -1.867 1.00 0.00 C ATOM 1218 O VAL A 74 -9.307 4.027 -1.867 1.00 0.00 O ATOM 1219 CB VAL A 74 -11.549 2.367 -0.457 1.00 0.00 C ATOM 1220 CG1 VAL A 74 -12.292 1.853 -1.693 1.00 0.00 C ATOM 1221 CG2 VAL A 74 -12.072 1.633 0.781 1.00 0.00 C ATOM 0 H VAL A 74 -9.559 3.677 0.757 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.823 1.052 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.717 3.438 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.360 2.035 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.929 2.375 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.116 0.783 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.141 1.819 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.899 0.563 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.549 1.995 1.666 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.300 2.098 -2.933 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.798 2.723 -4.193 1.00 0.00 C ATOM 1233 C ILE A 75 -9.591 2.188 -5.393 1.00 0.00 C ATOM 1234 O ILE A 75 -9.915 1.015 -5.461 1.00 0.00 O ATOM 1235 CB ILE A 75 -7.315 2.329 -4.293 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -6.711 2.958 -5.557 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.172 0.803 -4.362 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -5.183 2.872 -5.505 1.00 0.00 C ATOM 0 H ILE A 75 -9.454 1.091 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.916 3.807 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.789 2.691 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.083 2.443 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.022 3.999 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.117 0.539 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.598 0.357 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.699 0.427 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.763 3.320 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.818 3.407 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.879 1.827 -5.444 1.00 0.00 H new ATOM 1250 N ARG A 76 -9.905 3.034 -6.339 1.00 0.00 N ATOM 1251 CA ARG A 76 -10.674 2.573 -7.535 1.00 0.00 C ATOM 1252 C ARG A 76 -9.852 2.817 -8.809 1.00 0.00 C ATOM 1253 O ARG A 76 -10.152 3.698 -9.595 1.00 0.00 O ATOM 1254 CB ARG A 76 -11.955 3.413 -7.534 1.00 0.00 C ATOM 1255 CG ARG A 76 -12.971 2.804 -8.504 1.00 0.00 C ATOM 1256 CD ARG A 76 -13.970 3.877 -8.951 1.00 0.00 C ATOM 1257 NE ARG A 76 -13.530 4.271 -10.326 1.00 0.00 N ATOM 1258 CZ ARG A 76 -12.735 5.304 -10.525 1.00 0.00 C ATOM 1259 NH1 ARG A 76 -12.316 6.044 -9.524 1.00 0.00 N ATOM 1260 NH2 ARG A 76 -12.365 5.604 -11.746 1.00 0.00 N ATOM 0 H ARG A 76 -9.663 4.025 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.898 1.507 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.375 3.452 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.729 4.439 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.457 2.389 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.499 1.981 -8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.988 3.488 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.960 4.731 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.852 3.728 -11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.605 5.824 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.701 6.839 -9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.692 5.041 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.750 6.401 -11.911 1.00 0.00 H new ATOM 1274 N CYS A 77 -8.813 2.044 -9.015 1.00 0.00 N ATOM 1275 CA CYS A 77 -7.967 2.231 -10.234 1.00 0.00 C ATOM 1276 C CYS A 77 -7.083 1.002 -10.473 1.00 0.00 C ATOM 1277 O CYS A 77 -6.011 0.879 -9.912 1.00 0.00 O ATOM 1278 CB CYS A 77 -7.105 3.460 -9.937 1.00 0.00 C ATOM 1279 SG CYS A 77 -6.835 4.395 -11.462 1.00 0.00 S ATOM 0 H CYS A 77 -8.515 1.293 -8.392 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.571 2.361 -11.132 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.595 4.090 -9.194 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.149 3.152 -9.513 1.00 0.00 H new ATOM 1284 N LEU A 78 -7.523 0.095 -11.310 1.00 0.00 N ATOM 1285 CA LEU A 78 -6.704 -1.123 -11.596 1.00 0.00 C ATOM 1286 C LEU A 78 -5.940 -0.930 -12.911 1.00 0.00 C ATOM 1287 O LEU A 78 -6.531 -0.749 -13.959 1.00 0.00 O ATOM 1288 CB LEU A 78 -7.711 -2.273 -11.711 1.00 0.00 C ATOM 1289 CG LEU A 78 -7.724 -3.097 -10.415 1.00 0.00 C ATOM 1290 CD1 LEU A 78 -6.360 -3.764 -10.209 1.00 0.00 C ATOM 1291 CD2 LEU A 78 -8.029 -2.183 -9.223 1.00 0.00 C ATOM 0 H LEU A 78 -8.412 0.145 -11.807 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.965 -1.322 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.707 -1.876 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.450 -2.912 -12.554 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.494 -3.865 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.375 -4.347 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.146 -4.422 -11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.587 -2.998 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.037 -2.772 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.263 -1.411 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.004 -1.716 -9.363 1.00 0.00 H new ATOM 1303 N GLN A 79 -4.631 -0.954 -12.861 1.00 0.00 N ATOM 1304 CA GLN A 79 -3.826 -0.756 -14.108 1.00 0.00 C ATOM 1305 C GLN A 79 -3.210 -2.084 -14.572 1.00 0.00 C ATOM 1306 O GLN A 79 -3.551 -2.596 -15.623 1.00 0.00 O ATOM 1307 CB GLN A 79 -2.730 0.251 -13.729 1.00 0.00 C ATOM 1308 CG GLN A 79 -3.363 1.559 -13.233 1.00 0.00 C ATOM 1309 CD GLN A 79 -3.722 2.453 -14.426 1.00 0.00 C ATOM 1310 OE1 GLN A 79 -4.490 2.063 -15.282 1.00 0.00 O ATOM 1311 NE2 GLN A 79 -3.199 3.648 -14.516 1.00 0.00 N ATOM 0 H GLN A 79 -4.085 -1.102 -12.012 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.439 -0.394 -14.933 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.091 -0.170 -12.953 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.094 0.450 -14.592 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.257 1.341 -12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.670 2.081 -12.573 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.554 3.978 -13.798 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.436 4.251 -15.304 1.00 0.00 H new ATOM 1320 N TRP A 80 -2.302 -2.643 -13.804 1.00 0.00 N ATOM 1321 CA TRP A 80 -1.663 -3.934 -14.207 1.00 0.00 C ATOM 1322 C TRP A 80 -1.100 -4.662 -12.975 1.00 0.00 C ATOM 1323 O TRP A 80 0.095 -4.860 -12.846 1.00 0.00 O ATOM 1324 CB TRP A 80 -0.536 -3.532 -15.170 1.00 0.00 C ATOM 1325 CG TRP A 80 -0.692 -4.271 -16.462 1.00 0.00 C ATOM 1326 CD1 TRP A 80 -1.456 -3.863 -17.502 1.00 0.00 C ATOM 1327 CD2 TRP A 80 -0.084 -5.530 -16.870 1.00 0.00 C ATOM 1328 NE1 TRP A 80 -1.357 -4.794 -18.520 1.00 0.00 N ATOM 1329 CE2 TRP A 80 -0.523 -5.840 -18.179 1.00 0.00 C ATOM 1330 CE3 TRP A 80 0.797 -6.426 -16.236 1.00 0.00 C ATOM 1331 CZ2 TRP A 80 -0.103 -6.996 -18.837 1.00 0.00 C ATOM 1332 CZ3 TRP A 80 1.222 -7.591 -16.895 1.00 0.00 C ATOM 1333 CH2 TRP A 80 0.772 -7.875 -18.194 1.00 0.00 C ATOM 0 H TRP A 80 -1.978 -2.259 -12.916 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.371 -4.619 -14.674 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.563 -2.457 -15.349 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.433 -3.757 -14.725 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.046 -2.959 -17.532 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.841 -4.717 -19.414 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.148 -6.216 -15.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.452 -7.210 -19.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.898 -8.272 -16.400 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.102 -8.772 -18.696 1.00 0.00 H new ATOM 1344 N THR A 81 -1.957 -5.069 -12.071 1.00 0.00 N ATOM 1345 CA THR A 81 -1.477 -5.789 -10.849 1.00 0.00 C ATOM 1346 C THR A 81 -1.931 -7.253 -10.890 1.00 0.00 C ATOM 1347 O THR A 81 -3.022 -7.560 -11.335 1.00 0.00 O ATOM 1348 CB THR A 81 -2.120 -5.063 -9.658 1.00 0.00 C ATOM 1349 OG1 THR A 81 -3.536 -5.065 -9.799 1.00 0.00 O ATOM 1350 CG2 THR A 81 -1.614 -3.620 -9.597 1.00 0.00 C ATOM 0 H THR A 81 -2.967 -4.934 -12.126 1.00 0.00 H new ATOM 0 HA THR A 81 -0.389 -5.788 -10.778 1.00 0.00 H new ATOM 0 HB THR A 81 -1.849 -5.580 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.926 -5.710 -9.173 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.073 -3.109 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.531 -3.619 -9.477 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.878 -3.103 -10.519 1.00 0.00 H new ATOM 1358 N THR A 82 -1.105 -8.156 -10.421 1.00 0.00 N ATOM 1359 CA THR A 82 -1.490 -9.605 -10.422 1.00 0.00 C ATOM 1360 C THR A 82 -2.654 -9.837 -9.449 1.00 0.00 C ATOM 1361 O THR A 82 -3.513 -10.666 -9.683 1.00 0.00 O ATOM 1362 CB THR A 82 -0.239 -10.368 -9.961 1.00 0.00 C ATOM 1363 OG1 THR A 82 0.220 -9.839 -8.721 1.00 0.00 O ATOM 1364 CG2 THR A 82 0.864 -10.234 -11.014 1.00 0.00 C ATOM 0 H THR A 82 -0.182 -7.954 -10.038 1.00 0.00 H new ATOM 0 HA THR A 82 -1.819 -9.940 -11.406 1.00 0.00 H new ATOM 0 HB THR A 82 -0.491 -11.421 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.017 -10.330 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.750 -10.776 -10.684 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.516 -10.649 -11.960 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.112 -9.181 -11.149 1.00 0.00 H new ATOM 1372 N VAL A 83 -2.688 -9.100 -8.366 1.00 0.00 N ATOM 1373 CA VAL A 83 -3.794 -9.256 -7.373 1.00 0.00 C ATOM 1374 C VAL A 83 -4.784 -8.091 -7.507 1.00 0.00 C ATOM 1375 O VAL A 83 -4.417 -6.995 -7.888 1.00 0.00 O ATOM 1376 CB VAL A 83 -3.109 -9.242 -5.996 1.00 0.00 C ATOM 1377 CG1 VAL A 83 -2.462 -7.876 -5.733 1.00 0.00 C ATOM 1378 CG2 VAL A 83 -4.147 -9.526 -4.907 1.00 0.00 C ATOM 0 H VAL A 83 -1.993 -8.393 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.362 -10.174 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.335 -10.009 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.982 -7.883 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.716 -7.672 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.228 -7.100 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.662 -9.516 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.922 -8.760 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.597 -10.504 -5.079 1.00 0.00 H new ATOM 1388 N ILE A 84 -6.035 -8.321 -7.194 1.00 0.00 N ATOM 1389 CA ILE A 84 -7.051 -7.229 -7.298 1.00 0.00 C ATOM 1390 C ILE A 84 -7.321 -6.643 -5.902 1.00 0.00 C ATOM 1391 O ILE A 84 -8.163 -7.127 -5.167 1.00 0.00 O ATOM 1392 CB ILE A 84 -8.310 -7.899 -7.869 1.00 0.00 C ATOM 1393 CG1 ILE A 84 -8.008 -8.444 -9.272 1.00 0.00 C ATOM 1394 CG2 ILE A 84 -9.448 -6.876 -7.961 1.00 0.00 C ATOM 1395 CD1 ILE A 84 -7.789 -9.958 -9.203 1.00 0.00 C ATOM 0 H ILE A 84 -6.397 -9.218 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.721 -6.406 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.609 -8.716 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.834 -8.217 -9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.122 -7.957 -9.679 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.338 -7.357 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.668 -6.486 -6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.149 -6.057 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.575 -10.341 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.949 -10.174 -8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.687 -10.438 -8.815 1.00 0.00 H new ATOM 1407 N GLU A 85 -6.600 -5.612 -5.530 1.00 0.00 N ATOM 1408 CA GLU A 85 -6.799 -4.998 -4.178 1.00 0.00 C ATOM 1409 C GLU A 85 -7.679 -3.742 -4.270 1.00 0.00 C ATOM 1410 O GLU A 85 -7.241 -2.695 -4.711 1.00 0.00 O ATOM 1411 CB GLU A 85 -5.391 -4.626 -3.694 1.00 0.00 C ATOM 1412 CG GLU A 85 -4.598 -5.895 -3.367 1.00 0.00 C ATOM 1413 CD GLU A 85 -3.277 -5.515 -2.688 1.00 0.00 C ATOM 1414 OE1 GLU A 85 -2.412 -4.984 -3.369 1.00 0.00 O ATOM 1415 OE2 GLU A 85 -3.152 -5.765 -1.499 1.00 0.00 O ATOM 0 H GLU A 85 -5.882 -5.169 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 85 -7.302 -5.683 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.873 -4.051 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.457 -3.991 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.182 -6.542 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.401 -6.458 -4.279 1.00 0.00 H new ATOM 1422 N ARG A 86 -8.915 -3.839 -3.846 1.00 0.00 N ATOM 1423 CA ARG A 86 -9.827 -2.654 -3.892 1.00 0.00 C ATOM 1424 C ARG A 86 -9.722 -1.864 -2.580 1.00 0.00 C ATOM 1425 O ARG A 86 -9.541 -0.661 -2.584 1.00 0.00 O ATOM 1426 CB ARG A 86 -11.233 -3.236 -4.064 1.00 0.00 C ATOM 1427 CG ARG A 86 -12.231 -2.099 -4.304 1.00 0.00 C ATOM 1428 CD ARG A 86 -12.285 -1.771 -5.800 1.00 0.00 C ATOM 1429 NE ARG A 86 -13.547 -0.991 -5.981 1.00 0.00 N ATOM 1430 CZ ARG A 86 -14.716 -1.596 -6.037 1.00 0.00 C ATOM 1431 NH1 ARG A 86 -14.805 -2.900 -5.914 1.00 0.00 N ATOM 1432 NH2 ARG A 86 -15.803 -0.886 -6.209 1.00 0.00 N ATOM 0 H ARG A 86 -9.333 -4.690 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.576 -1.967 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.250 -3.932 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.516 -3.801 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.220 -2.388 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.935 -1.216 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.415 -1.191 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.293 -2.679 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.503 0.025 -6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.963 -3.458 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.717 -3.355 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.741 0.128 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.712 -1.347 -6.253 1.00 0.00 H new ATOM 1446 N THR A 87 -9.829 -2.539 -1.459 1.00 0.00 N ATOM 1447 CA THR A 87 -9.727 -1.844 -0.138 1.00 0.00 C ATOM 1448 C THR A 87 -8.799 -2.627 0.803 1.00 0.00 C ATOM 1449 O THR A 87 -8.803 -3.844 0.822 1.00 0.00 O ATOM 1450 CB THR A 87 -11.159 -1.798 0.419 1.00 0.00 C ATOM 1451 OG1 THR A 87 -11.155 -1.128 1.677 1.00 0.00 O ATOM 1452 CG2 THR A 87 -11.703 -3.220 0.598 1.00 0.00 C ATOM 0 H THR A 87 -9.983 -3.546 -1.404 1.00 0.00 H new ATOM 0 HA THR A 87 -9.307 -0.843 -0.236 1.00 0.00 H new ATOM 0 HB THR A 87 -11.797 -1.261 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.454 -0.443 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.718 -3.174 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.711 -3.730 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.067 -3.768 1.294 1.00 0.00 H new ATOM 1460 N PHE A 88 -8.015 -1.935 1.589 1.00 0.00 N ATOM 1461 CA PHE A 88 -7.096 -2.630 2.541 1.00 0.00 C ATOM 1462 C PHE A 88 -7.176 -1.955 3.919 1.00 0.00 C ATOM 1463 O PHE A 88 -7.468 -0.779 4.028 1.00 0.00 O ATOM 1464 CB PHE A 88 -5.692 -2.533 1.904 1.00 0.00 C ATOM 1465 CG PHE A 88 -4.931 -1.314 2.389 1.00 0.00 C ATOM 1466 CD1 PHE A 88 -4.413 -1.281 3.689 1.00 0.00 C ATOM 1467 CD2 PHE A 88 -4.729 -0.227 1.529 1.00 0.00 C ATOM 1468 CE1 PHE A 88 -3.695 -0.165 4.129 1.00 0.00 C ATOM 1469 CE2 PHE A 88 -4.011 0.892 1.973 1.00 0.00 C ATOM 1470 CZ PHE A 88 -3.494 0.921 3.274 1.00 0.00 C ATOM 0 H PHE A 88 -7.971 -0.916 1.613 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.357 -3.675 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.124 -3.433 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.788 -2.492 0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.568 -2.119 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.126 -0.251 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.295 -0.143 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.857 1.732 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.940 1.783 3.616 1.00 0.00 H new ATOM 1480 N HIS A 89 -6.945 -2.699 4.969 1.00 0.00 N ATOM 1481 CA HIS A 89 -7.034 -2.117 6.347 1.00 0.00 C ATOM 1482 C HIS A 89 -5.638 -1.899 6.939 1.00 0.00 C ATOM 1483 O HIS A 89 -4.683 -2.543 6.553 1.00 0.00 O ATOM 1484 CB HIS A 89 -7.801 -3.157 7.169 1.00 0.00 C ATOM 1485 CG HIS A 89 -9.240 -3.218 6.718 1.00 0.00 C ATOM 1486 ND1 HIS A 89 -10.227 -3.800 7.496 1.00 0.00 N ATOM 1487 CD2 HIS A 89 -9.872 -2.783 5.578 1.00 0.00 C ATOM 1488 CE1 HIS A 89 -11.387 -3.698 6.823 1.00 0.00 C ATOM 1489 NE2 HIS A 89 -11.226 -3.087 5.649 1.00 0.00 N ATOM 0 H HIS A 89 -6.698 -3.688 4.934 1.00 0.00 H new ATOM 0 HA HIS A 89 -7.528 -1.145 6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.335 -4.136 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.754 -2.901 8.228 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.098 -4.228 8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.390 -2.281 4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.334 -4.066 7.189 1.00 0.00 H new ATOM 1497 N VAL A 90 -5.517 -0.994 7.879 1.00 0.00 N ATOM 1498 CA VAL A 90 -4.182 -0.731 8.510 1.00 0.00 C ATOM 1499 C VAL A 90 -4.127 -1.324 9.924 1.00 0.00 C ATOM 1500 O VAL A 90 -5.142 -1.614 10.527 1.00 0.00 O ATOM 1501 CB VAL A 90 -4.034 0.796 8.562 1.00 0.00 C ATOM 1502 CG1 VAL A 90 -4.008 1.356 7.139 1.00 0.00 C ATOM 1503 CG2 VAL A 90 -5.207 1.413 9.332 1.00 0.00 C ATOM 0 H VAL A 90 -6.284 -0.425 8.238 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.375 -1.192 7.941 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.103 1.045 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.903 2.440 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.166 0.928 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.937 1.099 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.092 2.496 9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.143 1.161 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.221 1.020 10.349 1.00 0.00 H new ATOM 1513 N ASP A 91 -2.941 -1.504 10.452 1.00 0.00 N ATOM 1514 CA ASP A 91 -2.796 -2.076 11.829 1.00 0.00 C ATOM 1515 C ASP A 91 -3.408 -1.146 12.891 1.00 0.00 C ATOM 1516 O ASP A 91 -3.954 -1.603 13.879 1.00 0.00 O ATOM 1517 CB ASP A 91 -1.284 -2.204 12.050 1.00 0.00 C ATOM 1518 CG ASP A 91 -0.986 -3.476 12.847 1.00 0.00 C ATOM 1519 OD1 ASP A 91 -1.022 -3.411 14.065 1.00 0.00 O ATOM 1520 OD2 ASP A 91 -0.728 -4.492 12.223 1.00 0.00 O ATOM 0 H ASP A 91 -2.062 -1.278 9.986 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.315 -3.030 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.768 -2.235 11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.910 -1.331 12.585 1.00 0.00 H new ATOM 1525 N SER A 92 -3.313 0.150 12.705 1.00 0.00 N ATOM 1526 CA SER A 92 -3.879 1.098 13.718 1.00 0.00 C ATOM 1527 C SER A 92 -4.317 2.411 13.048 1.00 0.00 C ATOM 1528 O SER A 92 -4.018 2.644 11.894 1.00 0.00 O ATOM 1529 CB SER A 92 -2.719 1.352 14.684 1.00 0.00 C ATOM 1530 OG SER A 92 -3.161 1.152 16.020 1.00 0.00 O ATOM 0 H SER A 92 -2.870 0.591 11.899 1.00 0.00 H new ATOM 0 HA SER A 92 -4.761 0.697 14.217 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.891 0.680 14.459 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.346 2.369 14.562 1.00 0.00 H new ATOM 0 HG SER A 92 -2.418 1.313 16.638 1.00 0.00 H new ATOM 1536 N PRO A 93 -4.996 3.245 13.806 1.00 0.00 N ATOM 1537 CA PRO A 93 -5.453 4.556 13.272 1.00 0.00 C ATOM 1538 C PRO A 93 -4.240 5.452 13.006 1.00 0.00 C ATOM 1539 O PRO A 93 -4.166 6.125 11.993 1.00 0.00 O ATOM 1540 CB PRO A 93 -6.340 5.112 14.385 1.00 0.00 C ATOM 1541 CG PRO A 93 -5.866 4.431 15.626 1.00 0.00 C ATOM 1542 CD PRO A 93 -5.393 3.062 15.209 1.00 0.00 C ATOM 0 HA PRO A 93 -5.990 4.486 12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.242 6.195 14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.392 4.901 14.195 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.059 4.995 16.094 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.669 4.357 16.359 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.557 2.723 15.821 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.183 2.318 15.308 1.00 0.00 H new ATOM 1550 N ASP A 94 -3.274 5.438 13.895 1.00 0.00 N ATOM 1551 CA ASP A 94 -2.044 6.260 13.678 1.00 0.00 C ATOM 1552 C ASP A 94 -1.334 5.783 12.404 1.00 0.00 C ATOM 1553 O ASP A 94 -0.786 6.572 11.661 1.00 0.00 O ATOM 1554 CB ASP A 94 -1.157 6.046 14.921 1.00 0.00 C ATOM 1555 CG ASP A 94 -1.045 4.553 15.257 1.00 0.00 C ATOM 1556 OD1 ASP A 94 -0.149 3.911 14.733 1.00 0.00 O ATOM 1557 OD2 ASP A 94 -1.858 4.077 16.032 1.00 0.00 O ATOM 0 H ASP A 94 -3.286 4.894 14.758 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.272 7.318 13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.164 6.459 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.577 6.585 15.771 1.00 0.00 H new ATOM 1562 N GLU A 95 -1.367 4.495 12.132 1.00 0.00 N ATOM 1563 CA GLU A 95 -0.720 3.968 10.891 1.00 0.00 C ATOM 1564 C GLU A 95 -1.503 4.441 9.662 1.00 0.00 C ATOM 1565 O GLU A 95 -0.923 4.840 8.673 1.00 0.00 O ATOM 1566 CB GLU A 95 -0.769 2.440 11.015 1.00 0.00 C ATOM 1567 CG GLU A 95 0.529 1.842 10.455 1.00 0.00 C ATOM 1568 CD GLU A 95 0.313 0.375 10.053 1.00 0.00 C ATOM 1569 OE1 GLU A 95 -0.738 0.075 9.507 1.00 0.00 O ATOM 1570 OE2 GLU A 95 1.211 -0.420 10.286 1.00 0.00 O ATOM 0 H GLU A 95 -1.815 3.790 12.718 1.00 0.00 H new ATOM 0 HA GLU A 95 0.305 4.320 10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.894 2.153 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.628 2.047 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.859 2.418 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.320 1.908 11.202 1.00 0.00 H new ATOM 1577 N ARG A 96 -2.816 4.420 9.728 1.00 0.00 N ATOM 1578 CA ARG A 96 -3.639 4.890 8.566 1.00 0.00 C ATOM 1579 C ARG A 96 -3.222 6.315 8.178 1.00 0.00 C ATOM 1580 O ARG A 96 -3.100 6.637 7.010 1.00 0.00 O ATOM 1581 CB ARG A 96 -5.090 4.864 9.068 1.00 0.00 C ATOM 1582 CG ARG A 96 -6.011 5.578 8.068 1.00 0.00 C ATOM 1583 CD ARG A 96 -7.183 6.220 8.816 1.00 0.00 C ATOM 1584 NE ARG A 96 -6.652 7.513 9.354 1.00 0.00 N ATOM 1585 CZ ARG A 96 -7.142 8.037 10.458 1.00 0.00 C ATOM 1586 NH1 ARG A 96 -8.115 7.445 11.108 1.00 0.00 N ATOM 1587 NH2 ARG A 96 -6.656 9.163 10.913 1.00 0.00 N ATOM 0 H ARG A 96 -3.351 4.098 10.535 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.509 4.267 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.417 3.833 9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.154 5.349 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.453 6.340 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.383 4.868 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.029 6.390 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.536 5.575 9.621 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.901 7.994 8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.501 6.568 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.485 7.862 11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.900 9.631 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.033 9.573 11.768 1.00 0.00 H new ATOM 1601 N GLU A 97 -2.987 7.158 9.151 1.00 0.00 N ATOM 1602 CA GLU A 97 -2.560 8.558 8.847 1.00 0.00 C ATOM 1603 C GLU A 97 -1.119 8.562 8.316 1.00 0.00 C ATOM 1604 O GLU A 97 -0.775 9.336 7.446 1.00 0.00 O ATOM 1605 CB GLU A 97 -2.651 9.308 10.181 1.00 0.00 C ATOM 1606 CG GLU A 97 -3.654 10.456 10.053 1.00 0.00 C ATOM 1607 CD GLU A 97 -2.940 11.703 9.532 1.00 0.00 C ATOM 1608 OE1 GLU A 97 -2.690 11.761 8.339 1.00 0.00 O ATOM 1609 OE2 GLU A 97 -2.658 12.578 10.332 1.00 0.00 O ATOM 0 H GLU A 97 -3.072 6.938 10.143 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.182 9.025 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.961 8.627 10.973 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.671 9.696 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.459 10.175 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.111 10.663 11.021 1.00 0.00 H new ATOM 1616 N GLU A 98 -0.280 7.691 8.830 1.00 0.00 N ATOM 1617 CA GLU A 98 1.136 7.632 8.352 1.00 0.00 C ATOM 1618 C GLU A 98 1.174 7.264 6.863 1.00 0.00 C ATOM 1619 O GLU A 98 1.950 7.814 6.104 1.00 0.00 O ATOM 1620 CB GLU A 98 1.805 6.538 9.192 1.00 0.00 C ATOM 1621 CG GLU A 98 2.037 7.047 10.619 1.00 0.00 C ATOM 1622 CD GLU A 98 3.511 6.881 10.994 1.00 0.00 C ATOM 1623 OE1 GLU A 98 3.975 5.752 11.015 1.00 0.00 O ATOM 1624 OE2 GLU A 98 4.153 7.886 11.251 1.00 0.00 O ATOM 0 H GLU A 98 -0.517 7.019 9.560 1.00 0.00 H new ATOM 0 HA GLU A 98 1.645 8.590 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.177 5.647 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.754 6.249 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.749 8.096 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.410 6.495 11.319 1.00 0.00 H new ATOM 1631 N TRP A 99 0.331 6.346 6.441 1.00 0.00 N ATOM 1632 CA TRP A 99 0.309 5.953 4.995 1.00 0.00 C ATOM 1633 C TRP A 99 -0.176 7.139 4.154 1.00 0.00 C ATOM 1634 O TRP A 99 0.442 7.510 3.175 1.00 0.00 O ATOM 1635 CB TRP A 99 -0.680 4.785 4.885 1.00 0.00 C ATOM 1636 CG TRP A 99 -0.240 3.643 5.749 1.00 0.00 C ATOM 1637 CD1 TRP A 99 -1.022 3.024 6.660 1.00 0.00 C ATOM 1638 CD2 TRP A 99 1.055 2.973 5.799 1.00 0.00 C ATOM 1639 NE1 TRP A 99 -0.295 2.021 7.268 1.00 0.00 N ATOM 1640 CE2 TRP A 99 0.989 1.947 6.772 1.00 0.00 C ATOM 1641 CE3 TRP A 99 2.267 3.149 5.106 1.00 0.00 C ATOM 1642 CZ2 TRP A 99 2.083 1.128 7.049 1.00 0.00 C ATOM 1643 CZ3 TRP A 99 3.371 2.325 5.383 1.00 0.00 C ATOM 1644 CH2 TRP A 99 3.277 1.318 6.352 1.00 0.00 C ATOM 0 H TRP A 99 -0.339 5.855 7.034 1.00 0.00 H new ATOM 0 HA TRP A 99 1.297 5.666 4.635 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.675 5.114 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -0.752 4.458 3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.050 3.274 6.877 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -0.663 1.409 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 99 2.349 3.922 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 2.007 0.353 7.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 4.297 2.469 4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.129 0.688 6.560 1.00 0.00 H new ATOM 1655 N MET A 100 -1.276 7.739 4.545 1.00 0.00 N ATOM 1656 CA MET A 100 -1.812 8.916 3.789 1.00 0.00 C ATOM 1657 C MET A 100 -0.766 10.040 3.761 1.00 0.00 C ATOM 1658 O MET A 100 -0.568 10.689 2.751 1.00 0.00 O ATOM 1659 CB MET A 100 -3.056 9.359 4.569 1.00 0.00 C ATOM 1660 CG MET A 100 -4.074 9.976 3.607 1.00 0.00 C ATOM 1661 SD MET A 100 -3.910 11.780 3.629 1.00 0.00 S ATOM 1662 CE MET A 100 -3.373 11.984 1.912 1.00 0.00 C ATOM 0 H MET A 100 -1.827 7.463 5.358 1.00 0.00 H new ATOM 0 HA MET A 100 -2.049 8.671 2.754 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.498 8.506 5.083 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.778 10.084 5.334 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.912 9.598 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.085 9.689 3.897 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.757 12.879 1.827 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.792 11.114 1.607 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.246 12.082 1.267 1.00 0.00 H new ATOM 1672 N ARG A 101 -0.094 10.264 4.866 1.00 0.00 N ATOM 1673 CA ARG A 101 0.949 11.337 4.919 1.00 0.00 C ATOM 1674 C ARG A 101 2.088 11.015 3.945 1.00 0.00 C ATOM 1675 O ARG A 101 2.557 11.877 3.225 1.00 0.00 O ATOM 1676 CB ARG A 101 1.460 11.327 6.363 1.00 0.00 C ATOM 1677 CG ARG A 101 2.049 12.697 6.706 1.00 0.00 C ATOM 1678 CD ARG A 101 0.923 13.648 7.127 1.00 0.00 C ATOM 1679 NE ARG A 101 1.613 14.822 7.744 1.00 0.00 N ATOM 1680 CZ ARG A 101 2.082 14.763 8.973 1.00 0.00 C ATOM 1681 NH1 ARG A 101 1.953 13.671 9.690 1.00 0.00 N ATOM 1682 NH2 ARG A 101 2.686 15.806 9.485 1.00 0.00 N ATOM 0 H ARG A 101 -0.224 9.748 5.736 1.00 0.00 H new ATOM 0 HA ARG A 101 0.552 12.312 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.645 11.088 7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.217 10.553 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.777 12.600 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.579 13.103 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.322 13.950 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.248 13.170 7.837 1.00 0.00 H new ATOM 0 HE ARG A 101 1.722 15.681 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.485 12.855 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.321 13.639 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.791 16.657 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.052 15.767 10.436 1.00 0.00 H new ATOM 1696 N ALA A 102 2.531 9.779 3.916 1.00 0.00 N ATOM 1697 CA ALA A 102 3.637 9.392 2.986 1.00 0.00 C ATOM 1698 C ALA A 102 3.196 9.585 1.531 1.00 0.00 C ATOM 1699 O ALA A 102 3.931 10.114 0.721 1.00 0.00 O ATOM 1700 CB ALA A 102 3.906 7.915 3.275 1.00 0.00 C ATOM 0 H ALA A 102 2.173 9.022 4.498 1.00 0.00 H new ATOM 0 HA ALA A 102 4.529 10.001 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.708 7.558 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.200 7.796 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.002 7.336 3.084 1.00 0.00 H new ATOM 1706 N ILE A 103 1.997 9.167 1.198 1.00 0.00 N ATOM 1707 CA ILE A 103 1.501 9.334 -0.206 1.00 0.00 C ATOM 1708 C ILE A 103 1.530 10.820 -0.593 1.00 0.00 C ATOM 1709 O ILE A 103 1.947 11.175 -1.677 1.00 0.00 O ATOM 1710 CB ILE A 103 0.060 8.799 -0.199 1.00 0.00 C ATOM 1711 CG1 ILE A 103 0.069 7.293 0.085 1.00 0.00 C ATOM 1712 CG2 ILE A 103 -0.594 9.048 -1.562 1.00 0.00 C ATOM 1713 CD1 ILE A 103 -1.300 6.865 0.623 1.00 0.00 C ATOM 0 H ILE A 103 1.341 8.718 1.837 1.00 0.00 H new ATOM 0 HA ILE A 103 2.118 8.801 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.505 9.316 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.302 6.742 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.847 7.054 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.615 8.667 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.609 10.118 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.024 8.537 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.293 5.794 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.514 7.406 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.068 7.090 -0.117 1.00 0.00 H new ATOM 1725 N GLN A 104 1.100 11.686 0.294 1.00 0.00 N ATOM 1726 CA GLN A 104 1.113 13.152 -0.013 1.00 0.00 C ATOM 1727 C GLN A 104 2.559 13.662 -0.116 1.00 0.00 C ATOM 1728 O GLN A 104 2.895 14.417 -1.010 1.00 0.00 O ATOM 1729 CB GLN A 104 0.387 13.817 1.162 1.00 0.00 C ATOM 1730 CG GLN A 104 -0.402 15.031 0.659 1.00 0.00 C ATOM 1731 CD GLN A 104 0.544 16.222 0.472 1.00 0.00 C ATOM 1732 OE1 GLN A 104 1.195 16.649 1.406 1.00 0.00 O ATOM 1733 NE2 GLN A 104 0.646 16.783 -0.702 1.00 0.00 N ATOM 0 H GLN A 104 0.741 11.441 1.217 1.00 0.00 H new ATOM 0 HA GLN A 104 0.631 13.376 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.287 13.104 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.107 14.127 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.892 14.792 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.187 15.286 1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.101 16.426 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.271 17.578 -0.835 1.00 0.00 H new ATOM 1742 N MET A 105 3.414 13.253 0.791 1.00 0.00 N ATOM 1743 CA MET A 105 4.841 13.708 0.748 1.00 0.00 C ATOM 1744 C MET A 105 5.538 13.140 -0.493 1.00 0.00 C ATOM 1745 O MET A 105 6.257 13.839 -1.183 1.00 0.00 O ATOM 1746 CB MET A 105 5.481 13.158 2.026 1.00 0.00 C ATOM 1747 CG MET A 105 5.088 14.032 3.219 1.00 0.00 C ATOM 1748 SD MET A 105 5.549 13.196 4.757 1.00 0.00 S ATOM 1749 CE MET A 105 5.139 14.549 5.886 1.00 0.00 C ATOM 0 H MET A 105 3.185 12.623 1.560 1.00 0.00 H new ATOM 0 HA MET A 105 4.925 14.793 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.157 12.131 2.193 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.566 13.137 1.921 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.586 14.999 3.155 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.015 14.225 3.205 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.266 14.215 6.916 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.799 15.395 5.695 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.104 14.854 5.728 1.00 0.00 H new ATOM 1759 N VAL A 106 5.318 11.884 -0.790 1.00 0.00 N ATOM 1760 CA VAL A 106 5.954 11.275 -1.999 1.00 0.00 C ATOM 1761 C VAL A 106 5.311 11.863 -3.263 1.00 0.00 C ATOM 1762 O VAL A 106 5.966 12.041 -4.271 1.00 0.00 O ATOM 1763 CB VAL A 106 5.691 9.765 -1.893 1.00 0.00 C ATOM 1764 CG1 VAL A 106 6.163 9.065 -3.170 1.00 0.00 C ATOM 1765 CG2 VAL A 106 6.461 9.191 -0.699 1.00 0.00 C ATOM 0 H VAL A 106 4.726 11.254 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 106 7.023 11.478 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 106 4.622 9.601 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.974 7.995 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.620 9.466 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.231 9.236 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.273 8.120 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.528 9.363 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.130 9.681 0.217 1.00 0.00 H new ATOM 1775 N ALA A 107 4.032 12.172 -3.208 1.00 0.00 N ATOM 1776 CA ALA A 107 3.338 12.762 -4.396 1.00 0.00 C ATOM 1777 C ALA A 107 4.025 14.067 -4.822 1.00 0.00 C ATOM 1778 O ALA A 107 4.081 14.385 -5.994 1.00 0.00 O ATOM 1779 CB ALA A 107 1.904 13.038 -3.937 1.00 0.00 C ATOM 0 H ALA A 107 3.441 12.039 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 107 3.365 12.092 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.336 13.472 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.436 12.104 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.918 13.734 -3.098 1.00 0.00 H new ATOM 1785 N ASN A 108 4.554 14.820 -3.881 1.00 0.00 N ATOM 1786 CA ASN A 108 5.248 16.100 -4.240 1.00 0.00 C ATOM 1787 C ASN A 108 6.393 15.817 -5.221 1.00 0.00 C ATOM 1788 O ASN A 108 6.579 16.529 -6.191 1.00 0.00 O ATOM 1789 CB ASN A 108 5.797 16.651 -2.918 1.00 0.00 C ATOM 1790 CG ASN A 108 4.760 17.571 -2.271 1.00 0.00 C ATOM 1791 OD1 ASN A 108 4.582 18.696 -2.692 1.00 0.00 O ATOM 1792 ND2 ASN A 108 4.063 17.140 -1.255 1.00 0.00 N ATOM 0 H ASN A 108 4.534 14.603 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 108 4.577 16.810 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.039 15.830 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.722 17.199 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.371 17.748 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.210 16.195 -0.899 1.00 0.00 H new ATOM 1799 N SER A 109 7.148 14.770 -4.984 1.00 0.00 N ATOM 1800 CA SER A 109 8.271 14.420 -5.910 1.00 0.00 C ATOM 1801 C SER A 109 7.756 13.521 -7.044 1.00 0.00 C ATOM 1802 O SER A 109 8.282 13.537 -8.140 1.00 0.00 O ATOM 1803 CB SER A 109 9.289 13.670 -5.052 1.00 0.00 C ATOM 1804 OG SER A 109 10.561 13.717 -5.689 1.00 0.00 O ATOM 0 H SER A 109 7.034 14.142 -4.188 1.00 0.00 H new ATOM 0 HA SER A 109 8.711 15.303 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.348 14.119 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.975 12.635 -4.915 1.00 0.00 H new ATOM 0 HG SER A 109 11.219 13.239 -5.142 1.00 0.00 H new ATOM 1810 N LEU A 110 6.727 12.746 -6.785 1.00 0.00 N ATOM 1811 CA LEU A 110 6.160 11.847 -7.840 1.00 0.00 C ATOM 1812 C LEU A 110 5.603 12.684 -9.001 1.00 0.00 C ATOM 1813 O LEU A 110 5.864 12.401 -10.154 1.00 0.00 O ATOM 1814 CB LEU A 110 5.035 11.078 -7.136 1.00 0.00 C ATOM 1815 CG LEU A 110 4.448 10.021 -8.076 1.00 0.00 C ATOM 1816 CD1 LEU A 110 4.713 8.626 -7.508 1.00 0.00 C ATOM 1817 CD2 LEU A 110 2.938 10.240 -8.205 1.00 0.00 C ATOM 0 H LEU A 110 6.254 12.699 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 110 6.907 11.176 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.420 10.600 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.253 11.770 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 110 4.916 10.107 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.295 7.875 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.788 8.470 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.246 8.538 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.517 9.489 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.473 10.153 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.748 11.234 -8.610 1.00 0.00 H new ATOM 1829 N LYS A 111 4.846 13.717 -8.692 1.00 0.00 N ATOM 1830 CA LYS A 111 4.262 14.603 -9.759 1.00 0.00 C ATOM 1831 C LYS A 111 3.386 13.795 -10.736 1.00 0.00 C ATOM 1832 O LYS A 111 2.250 14.174 -11.012 1.00 0.00 O ATOM 1833 CB LYS A 111 5.470 15.220 -10.482 1.00 0.00 C ATOM 1834 CG LYS A 111 6.416 15.865 -9.460 1.00 0.00 C ATOM 1835 CD LYS A 111 6.812 17.264 -9.934 1.00 0.00 C ATOM 1836 CE LYS A 111 5.869 18.302 -9.316 1.00 0.00 C ATOM 1837 NZ LYS A 111 5.046 18.808 -10.452 1.00 0.00 N ATOM 1838 OXT LYS A 111 2.867 12.765 -10.332 1.00 0.00 O ATOM 0 H LYS A 111 4.606 13.986 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 111 3.611 15.368 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 111 5.999 14.452 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 111 5.132 15.967 -11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 111 5.929 15.925 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.306 15.248 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 111 7.842 17.478 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 111 6.765 17.317 -11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 111 5.242 17.855 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 111 6.428 19.110 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.376 19.523 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.668 19.235 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.519 18.019 -10.878 1.00 0.00 H new TER 1852 LYS A 111