USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 Single : A 1 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.3!) USER MOD Single : A 1 ASN N :NH3+ -124:sc= -2.52! (180deg=-5.88!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 21:sc= -1.65! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 34 ASN : amide:sc= -5.18! C(o=-5.2!,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 40 SER OG : rot -47:sc= -0.277! USER MOD Single : A 42 ASN : amide:sc= -2.51! C(o=-2.5!,f=-1.5!) USER MOD Single : A 43 HIS : no HD1:sc= -18.3! C(o=-18!,f=-18!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0425 K(o=-0.043,f=-2.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.147 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.023) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 64 THR OG1 : rot -102:sc= 0.0468 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 54:sc= 0.672 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 8.592 8.126 -6.448 1.00 0.00 N ATOM 2 CA ASN A 1 9.119 7.090 -7.386 1.00 0.00 C ATOM 3 C ASN A 1 10.485 6.588 -6.908 1.00 0.00 C ATOM 4 O ASN A 1 10.659 5.413 -6.652 1.00 0.00 O ATOM 5 CB ASN A 1 9.245 7.793 -8.741 1.00 0.00 C ATOM 6 CG ASN A 1 7.981 7.541 -9.565 1.00 0.00 C ATOM 7 OD1 ASN A 1 6.941 7.225 -9.022 1.00 0.00 O ATOM 8 ND2 ASN A 1 8.027 7.668 -10.863 1.00 0.00 N ATOM 0 H1 ASN A 1 7.654 7.838 -6.104 1.00 0.00 H new ATOM 0 H2 ASN A 1 9.241 8.227 -5.642 1.00 0.00 H new ATOM 0 H3 ASN A 1 8.513 9.036 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 1 8.464 6.221 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 1 9.390 8.863 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 1 10.120 7.423 -9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 1 7.190 7.502 -11.422 1.00 0.00 H new ATOM 0 HD22 ASN A 1 8.900 7.933 -11.319 1.00 0.00 H new ATOM 17 N PRO A 2 11.414 7.502 -6.802 1.00 0.00 N ATOM 18 CA PRO A 2 12.782 7.147 -6.346 1.00 0.00 C ATOM 19 C PRO A 2 12.781 6.827 -4.849 1.00 0.00 C ATOM 20 O PRO A 2 11.883 7.206 -4.124 1.00 0.00 O ATOM 21 CB PRO A 2 13.591 8.411 -6.629 1.00 0.00 C ATOM 22 CG PRO A 2 12.588 9.519 -6.622 1.00 0.00 C ATOM 23 CD PRO A 2 11.282 8.933 -7.092 1.00 0.00 C ATOM 0 HA PRO A 2 13.185 6.266 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.358 8.567 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.102 8.346 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.484 9.939 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.905 10.330 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.435 9.371 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.123 9.112 -8.155 1.00 0.00 H new ATOM 31 N LEU A 3 13.783 6.133 -4.382 1.00 0.00 N ATOM 32 CA LEU A 3 13.842 5.789 -2.931 1.00 0.00 C ATOM 33 C LEU A 3 12.571 5.048 -2.507 1.00 0.00 C ATOM 34 O LEU A 3 11.558 5.102 -3.173 1.00 0.00 O ATOM 35 CB LEU A 3 13.947 7.132 -2.209 1.00 0.00 C ATOM 36 CG LEU A 3 15.167 7.120 -1.286 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.626 8.555 -1.025 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.794 6.454 0.041 1.00 0.00 C ATOM 0 H LEU A 3 14.563 5.789 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 3 14.681 5.134 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.034 7.941 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.042 7.318 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 3 15.975 6.562 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.495 8.545 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.891 9.030 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.819 9.115 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.662 6.445 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.986 7.012 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.468 5.431 -0.145 1.00 0.00 H new ATOM 50 N ILE A 4 12.619 4.355 -1.402 1.00 0.00 N ATOM 51 CA ILE A 4 11.413 3.611 -0.938 1.00 0.00 C ATOM 52 C ILE A 4 10.230 4.569 -0.780 1.00 0.00 C ATOM 53 O ILE A 4 10.392 5.699 -0.367 1.00 0.00 O ATOM 54 CB ILE A 4 11.807 3.011 0.418 1.00 0.00 C ATOM 55 CG1 ILE A 4 12.525 1.679 0.191 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.554 2.771 1.273 1.00 0.00 C ATOM 57 CD1 ILE A 4 11.639 0.757 -0.647 1.00 0.00 C ATOM 0 H ILE A 4 13.439 4.272 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 4 11.106 2.842 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 4 12.467 3.706 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.475 1.848 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.754 1.210 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.845 2.345 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.039 3.717 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.888 2.080 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.151 -0.192 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.701 0.578 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.433 1.226 -1.609 1.00 0.00 H new ATOM 69 N PRO A 5 9.073 4.065 -1.101 1.00 0.00 N ATOM 70 CA PRO A 5 7.832 4.865 -0.980 1.00 0.00 C ATOM 71 C PRO A 5 7.460 5.027 0.497 1.00 0.00 C ATOM 72 O PRO A 5 8.284 4.876 1.378 1.00 0.00 O ATOM 73 CB PRO A 5 6.791 4.018 -1.707 1.00 0.00 C ATOM 74 CG PRO A 5 7.312 2.620 -1.623 1.00 0.00 C ATOM 75 CD PRO A 5 8.812 2.712 -1.609 1.00 0.00 C ATOM 0 HA PRO A 5 7.921 5.870 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.812 4.104 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.676 4.336 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.947 2.126 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.969 2.029 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.254 1.951 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.231 2.570 -2.605 1.00 0.00 H new ATOM 83 N ALA A 6 6.222 5.322 0.768 1.00 0.00 N ATOM 84 CA ALA A 6 5.779 5.483 2.176 1.00 0.00 C ATOM 85 C ALA A 6 4.782 4.377 2.531 1.00 0.00 C ATOM 86 O ALA A 6 4.818 3.814 3.607 1.00 0.00 O ATOM 87 CB ALA A 6 5.106 6.855 2.230 1.00 0.00 C ATOM 0 H ALA A 6 5.493 5.459 0.068 1.00 0.00 H new ATOM 0 HA ALA A 6 6.604 5.414 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.751 7.047 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.824 7.624 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.262 6.874 1.540 1.00 0.00 H new ATOM 93 N ILE A 7 3.889 4.068 1.630 1.00 0.00 N ATOM 94 CA ILE A 7 2.883 2.999 1.904 1.00 0.00 C ATOM 95 C ILE A 7 3.584 1.676 2.235 1.00 0.00 C ATOM 96 O ILE A 7 3.147 0.924 3.082 1.00 0.00 O ATOM 97 CB ILE A 7 2.052 2.866 0.613 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.367 1.497 0.570 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.953 2.997 -0.617 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.633 1.240 1.884 1.00 0.00 C ATOM 0 H ILE A 7 3.812 4.510 0.714 1.00 0.00 H new ATOM 0 HA ILE A 7 2.255 3.247 2.759 1.00 0.00 H new ATOM 0 HB ILE A 7 1.304 3.659 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.664 1.459 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.107 0.716 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.351 2.901 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.441 3.971 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.709 2.212 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.148 0.264 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.346 1.259 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.120 2.013 2.037 1.00 0.00 H new ATOM 112 N TYR A 8 4.661 1.385 1.569 1.00 0.00 N ATOM 113 CA TYR A 8 5.378 0.108 1.841 1.00 0.00 C ATOM 114 C TYR A 8 5.892 0.085 3.281 1.00 0.00 C ATOM 115 O TYR A 8 6.075 -0.962 3.866 1.00 0.00 O ATOM 116 CB TYR A 8 6.525 0.079 0.834 1.00 0.00 C ATOM 117 CG TYR A 8 5.964 -0.282 -0.521 1.00 0.00 C ATOM 118 CD1 TYR A 8 5.281 0.678 -1.278 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.111 -1.584 -1.011 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.749 0.339 -2.526 1.00 0.00 C ATOM 121 CE2 TYR A 8 5.578 -1.923 -2.261 1.00 0.00 C ATOM 122 CZ TYR A 8 4.897 -0.963 -3.017 1.00 0.00 C ATOM 123 OH TYR A 8 4.371 -1.300 -4.248 1.00 0.00 O ATOM 0 H TYR A 8 5.078 1.974 0.848 1.00 0.00 H new ATOM 0 HA TYR A 8 4.735 -0.766 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.018 1.050 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.278 -0.648 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.165 1.682 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.634 -2.326 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.225 1.081 -3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.693 -2.927 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 8 4.563 -2.242 -4.439 1.00 0.00 H new ATOM 133 N ILE A 9 6.107 1.232 3.863 1.00 0.00 N ATOM 134 CA ILE A 9 6.587 1.265 5.272 1.00 0.00 C ATOM 135 C ILE A 9 5.436 0.883 6.204 1.00 0.00 C ATOM 136 O ILE A 9 4.293 1.212 5.958 1.00 0.00 O ATOM 137 CB ILE A 9 7.024 2.710 5.513 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.261 3.015 4.664 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.365 2.900 6.993 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.698 4.462 4.899 1.00 0.00 C ATOM 0 H ILE A 9 5.972 2.144 3.426 1.00 0.00 H new ATOM 0 HA ILE A 9 7.404 0.568 5.458 1.00 0.00 H new ATOM 0 HB ILE A 9 6.215 3.386 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.071 2.333 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.038 2.858 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.677 3.930 7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.487 2.680 7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.175 2.225 7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.579 4.679 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.889 5.137 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.938 4.603 5.953 1.00 0.00 H new ATOM 152 N GLY A 10 5.722 0.178 7.261 1.00 0.00 N ATOM 153 CA GLY A 10 4.632 -0.234 8.185 1.00 0.00 C ATOM 154 C GLY A 10 3.509 -0.856 7.360 1.00 0.00 C ATOM 155 O GLY A 10 2.341 -0.680 7.644 1.00 0.00 O ATOM 0 H GLY A 10 6.658 -0.129 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.006 -0.950 8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.261 0.627 8.742 1.00 0.00 H new ATOM 159 N ALA A 11 3.860 -1.576 6.328 1.00 0.00 N ATOM 160 CA ALA A 11 2.815 -2.206 5.468 1.00 0.00 C ATOM 161 C ALA A 11 3.007 -3.725 5.414 1.00 0.00 C ATOM 162 O ALA A 11 3.713 -4.299 6.219 1.00 0.00 O ATOM 163 CB ALA A 11 3.021 -1.592 4.083 1.00 0.00 C ATOM 0 H ALA A 11 4.823 -1.755 6.043 1.00 0.00 H new ATOM 0 HA ALA A 11 1.809 -2.030 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.289 -2.005 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.896 -0.511 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.026 -1.822 3.729 1.00 0.00 H new ATOM 169 N THR A 12 2.382 -4.379 4.471 1.00 0.00 N ATOM 170 CA THR A 12 2.532 -5.863 4.371 1.00 0.00 C ATOM 171 C THR A 12 2.341 -6.312 2.923 1.00 0.00 C ATOM 172 O THR A 12 1.243 -6.582 2.496 1.00 0.00 O ATOM 173 CB THR A 12 1.420 -6.434 5.255 1.00 0.00 C ATOM 174 OG1 THR A 12 1.796 -6.321 6.620 1.00 0.00 O ATOM 175 CG2 THR A 12 1.188 -7.906 4.905 1.00 0.00 C ATOM 0 H THR A 12 1.777 -3.954 3.768 1.00 0.00 H new ATOM 0 HA THR A 12 3.519 -6.201 4.686 1.00 0.00 H new ATOM 0 HB THR A 12 0.499 -5.876 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.491 -5.637 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.396 -8.310 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.896 -7.989 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.107 -8.469 5.071 1.00 0.00 H new ATOM 183 N VAL A 13 3.398 -6.399 2.164 1.00 0.00 N ATOM 184 CA VAL A 13 3.252 -6.833 0.743 1.00 0.00 C ATOM 185 C VAL A 13 3.354 -8.358 0.645 1.00 0.00 C ATOM 186 O VAL A 13 3.838 -9.013 1.545 1.00 0.00 O ATOM 187 CB VAL A 13 4.415 -6.166 -0.002 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.565 -4.716 0.463 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.715 -6.922 0.284 1.00 0.00 C ATOM 0 H VAL A 13 4.351 -6.190 2.462 1.00 0.00 H new ATOM 0 HA VAL A 13 2.287 -6.550 0.322 1.00 0.00 H new ATOM 0 HB VAL A 13 4.208 -6.187 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.392 -4.247 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.644 -4.170 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.765 -4.696 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.538 -6.444 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.917 -6.906 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.617 -7.954 -0.052 1.00 0.00 H new ATOM 199 N GLY A 14 2.908 -8.927 -0.440 1.00 0.00 N ATOM 200 CA GLY A 14 2.989 -10.408 -0.589 1.00 0.00 C ATOM 201 C GLY A 14 4.444 -10.814 -0.829 1.00 0.00 C ATOM 202 O GLY A 14 5.347 -10.025 -0.640 1.00 0.00 O ATOM 0 H GLY A 14 2.492 -8.432 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.606 -10.896 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.366 -10.736 -1.421 1.00 0.00 H new ATOM 206 N PRO A 15 4.620 -12.039 -1.243 1.00 0.00 N ATOM 207 CA PRO A 15 5.981 -12.560 -1.516 1.00 0.00 C ATOM 208 C PRO A 15 6.534 -11.959 -2.811 1.00 0.00 C ATOM 209 O PRO A 15 7.701 -11.631 -2.908 1.00 0.00 O ATOM 210 CB PRO A 15 5.763 -14.063 -1.664 1.00 0.00 C ATOM 211 CG PRO A 15 4.334 -14.211 -2.077 1.00 0.00 C ATOM 212 CD PRO A 15 3.580 -13.042 -1.493 1.00 0.00 C ATOM 0 HA PRO A 15 6.701 -12.312 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.435 -14.487 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.958 -14.584 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.246 -14.222 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.924 -15.154 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.824 -12.669 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.063 -13.319 -0.574 1.00 0.00 H new ATOM 220 N SER A 16 5.704 -11.814 -3.808 1.00 0.00 N ATOM 221 CA SER A 16 6.181 -11.237 -5.098 1.00 0.00 C ATOM 222 C SER A 16 6.523 -9.755 -4.925 1.00 0.00 C ATOM 223 O SER A 16 7.595 -9.310 -5.286 1.00 0.00 O ATOM 224 CB SER A 16 5.007 -11.406 -6.063 1.00 0.00 C ATOM 225 OG SER A 16 5.341 -12.382 -7.040 1.00 0.00 O ATOM 0 H SER A 16 4.717 -12.070 -3.785 1.00 0.00 H new ATOM 0 HA SER A 16 7.084 -11.729 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.114 -11.711 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.777 -10.456 -6.545 1.00 0.00 H new ATOM 0 HG SER A 16 4.590 -12.495 -7.660 1.00 0.00 H new ATOM 231 N VAL A 17 5.624 -8.986 -4.373 1.00 0.00 N ATOM 232 CA VAL A 17 5.905 -7.535 -4.178 1.00 0.00 C ATOM 233 C VAL A 17 7.167 -7.359 -3.333 1.00 0.00 C ATOM 234 O VAL A 17 8.040 -6.580 -3.657 1.00 0.00 O ATOM 235 CB VAL A 17 4.682 -6.986 -3.444 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.835 -5.476 -3.254 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.424 -7.270 -4.268 1.00 0.00 C ATOM 0 H VAL A 17 4.709 -9.299 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 17 6.076 -7.014 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 17 4.597 -7.468 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.963 -5.085 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.731 -5.272 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.920 -4.994 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.551 -6.879 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.510 -6.788 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.314 -8.346 -4.404 1.00 0.00 H new ATOM 247 N TRP A 18 7.275 -8.084 -2.255 1.00 0.00 N ATOM 248 CA TRP A 18 8.487 -7.961 -1.399 1.00 0.00 C ATOM 249 C TRP A 18 9.739 -8.072 -2.268 1.00 0.00 C ATOM 250 O TRP A 18 10.540 -7.162 -2.345 1.00 0.00 O ATOM 251 CB TRP A 18 8.409 -9.137 -0.429 1.00 0.00 C ATOM 252 CG TRP A 18 9.593 -9.111 0.483 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.814 -9.613 0.184 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.693 -8.568 1.831 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.656 -9.411 1.262 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.011 -8.771 2.302 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.776 -7.925 2.682 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.407 -8.351 3.572 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.171 -7.501 3.961 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.484 -7.713 4.405 1.00 0.00 C ATOM 0 H TRP A 18 6.578 -8.755 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 18 8.534 -7.006 -0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.488 -9.083 0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.383 -10.076 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.086 -10.093 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.634 -9.699 1.286 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.762 -7.756 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.419 -8.518 3.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.459 -7.009 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 18 10.782 -7.384 5.390 1.00 0.00 H new ATOM 271 N ALA A 19 9.910 -9.185 -2.923 1.00 0.00 N ATOM 272 CA ALA A 19 11.108 -9.365 -3.794 1.00 0.00 C ATOM 273 C ALA A 19 11.347 -8.107 -4.635 1.00 0.00 C ATOM 274 O ALA A 19 12.460 -7.638 -4.765 1.00 0.00 O ATOM 275 CB ALA A 19 10.770 -10.556 -4.691 1.00 0.00 C ATOM 0 H ALA A 19 9.272 -9.980 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 19 12.016 -9.535 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.605 -10.753 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.586 -11.435 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.878 -10.330 -5.276 1.00 0.00 H new ATOM 281 N TYR A 20 10.310 -7.558 -5.201 1.00 0.00 N ATOM 282 CA TYR A 20 10.476 -6.329 -6.032 1.00 0.00 C ATOM 283 C TYR A 20 11.107 -5.214 -5.198 1.00 0.00 C ATOM 284 O TYR A 20 12.224 -4.797 -5.439 1.00 0.00 O ATOM 285 CB TYR A 20 9.058 -5.940 -6.449 1.00 0.00 C ATOM 286 CG TYR A 20 9.095 -4.641 -7.218 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.629 -4.606 -8.511 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.596 -3.469 -6.635 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.663 -3.400 -9.223 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.630 -2.264 -7.347 1.00 0.00 C ATOM 291 CZ TYR A 20 9.164 -2.229 -8.640 1.00 0.00 C ATOM 292 OH TYR A 20 9.197 -1.041 -9.341 1.00 0.00 O ATOM 0 H TYR A 20 9.354 -7.905 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 20 11.125 -6.495 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.620 -6.726 -7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.425 -5.835 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.015 -5.509 -8.960 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.185 -3.495 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.074 -3.374 -10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.244 -1.361 -6.898 1.00 0.00 H new ATOM 0 HH TYR A 20 8.811 -0.327 -8.792 1.00 0.00 H new ATOM 302 N LEU A 21 10.395 -4.730 -4.218 1.00 0.00 N ATOM 303 CA LEU A 21 10.940 -3.643 -3.356 1.00 0.00 C ATOM 304 C LEU A 21 12.419 -3.901 -3.055 1.00 0.00 C ATOM 305 O LEU A 21 13.270 -3.076 -3.321 1.00 0.00 O ATOM 306 CB LEU A 21 10.111 -3.707 -2.071 1.00 0.00 C ATOM 307 CG LEU A 21 10.411 -2.483 -1.204 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.416 -2.421 -0.044 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.831 -2.590 -0.647 1.00 0.00 C ATOM 0 H LEU A 21 9.455 -5.042 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 21 10.879 -2.665 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.049 -3.742 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.343 -4.620 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 21 10.322 -1.581 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.631 -1.549 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.402 -2.347 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.505 -3.324 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.046 -1.718 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.918 -3.493 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.543 -2.635 -1.471 1.00 0.00 H new ATOM 321 N VAL A 22 12.730 -5.042 -2.502 1.00 0.00 N ATOM 322 CA VAL A 22 14.153 -5.357 -2.184 1.00 0.00 C ATOM 323 C VAL A 22 15.056 -4.923 -3.337 1.00 0.00 C ATOM 324 O VAL A 22 15.989 -4.164 -3.159 1.00 0.00 O ATOM 325 CB VAL A 22 14.193 -6.874 -2.011 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.648 -7.347 -1.973 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.501 -7.254 -0.699 1.00 0.00 C ATOM 0 H VAL A 22 12.060 -5.771 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 22 14.504 -4.838 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 22 13.679 -7.348 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.676 -8.430 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.143 -7.075 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.163 -6.873 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.528 -8.336 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.017 -6.779 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.464 -6.918 -0.724 1.00 0.00 H new ATOM 337 N ALA A 23 14.784 -5.396 -4.519 1.00 0.00 N ATOM 338 CA ALA A 23 15.622 -5.009 -5.689 1.00 0.00 C ATOM 339 C ALA A 23 15.813 -3.490 -5.713 1.00 0.00 C ATOM 340 O ALA A 23 16.903 -2.995 -5.921 1.00 0.00 O ATOM 341 CB ALA A 23 14.833 -5.470 -6.914 1.00 0.00 C ATOM 0 H ALA A 23 14.017 -6.035 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 23 16.615 -5.457 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.387 -5.220 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.684 -6.549 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.864 -4.971 -6.932 1.00 0.00 H new ATOM 347 N LEU A 24 14.761 -2.749 -5.498 1.00 0.00 N ATOM 348 CA LEU A 24 14.881 -1.263 -5.506 1.00 0.00 C ATOM 349 C LEU A 24 15.917 -0.812 -4.473 1.00 0.00 C ATOM 350 O LEU A 24 16.808 -0.041 -4.769 1.00 0.00 O ATOM 351 CB LEU A 24 13.490 -0.753 -5.129 1.00 0.00 C ATOM 352 CG LEU A 24 13.305 0.667 -5.666 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.401 0.653 -7.193 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.931 1.193 -5.248 1.00 0.00 C ATOM 0 H LEU A 24 13.823 -3.108 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 24 15.208 -0.879 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.725 -1.412 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.369 -0.762 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 24 14.083 1.313 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.269 1.665 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.379 0.277 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.623 0.007 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.797 2.205 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.154 0.546 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.861 1.203 -4.160 1.00 0.00 H new ATOM 366 N VAL A 25 15.809 -1.291 -3.263 1.00 0.00 N ATOM 367 CA VAL A 25 16.792 -0.893 -2.211 1.00 0.00 C ATOM 368 C VAL A 25 17.578 -2.124 -1.730 1.00 0.00 C ATOM 369 O VAL A 25 18.631 -2.435 -2.249 1.00 0.00 O ATOM 370 CB VAL A 25 15.957 -0.275 -1.073 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.615 -1.001 -0.933 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.722 -0.371 0.249 1.00 0.00 C ATOM 0 H VAL A 25 15.084 -1.940 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 25 17.529 -0.181 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 25 15.772 0.772 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.040 -0.550 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.057 -0.917 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.792 -2.053 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.124 0.068 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.922 -1.418 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.666 0.168 0.163 1.00 0.00 H new ATOM 382 N GLY A 26 17.080 -2.822 -0.746 1.00 0.00 N ATOM 383 CA GLY A 26 17.805 -4.022 -0.243 1.00 0.00 C ATOM 384 C GLY A 26 17.064 -4.589 0.970 1.00 0.00 C ATOM 385 O GLY A 26 16.206 -3.947 1.541 1.00 0.00 O ATOM 0 H GLY A 26 16.203 -2.613 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.872 -4.776 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.826 -3.756 0.032 1.00 0.00 H new ATOM 389 N ALA A 27 17.386 -5.790 1.364 1.00 0.00 N ATOM 390 CA ALA A 27 16.696 -6.398 2.535 1.00 0.00 C ATOM 391 C ALA A 27 16.948 -5.568 3.798 1.00 0.00 C ATOM 392 O ALA A 27 16.216 -5.656 4.763 1.00 0.00 O ATOM 393 CB ALA A 27 17.310 -7.791 2.677 1.00 0.00 C ATOM 0 H ALA A 27 18.097 -6.376 0.926 1.00 0.00 H new ATOM 0 HA ALA A 27 15.615 -6.439 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.853 -8.306 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.133 -8.361 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.383 -7.700 2.845 1.00 0.00 H new ATOM 399 N ALA A 28 17.975 -4.763 3.801 1.00 0.00 N ATOM 400 CA ALA A 28 18.262 -3.936 5.002 1.00 0.00 C ATOM 401 C ALA A 28 17.228 -2.818 5.123 1.00 0.00 C ATOM 402 O ALA A 28 16.462 -2.767 6.065 1.00 0.00 O ATOM 403 CB ALA A 28 19.658 -3.359 4.768 1.00 0.00 C ATOM 0 H ALA A 28 18.625 -4.644 3.024 1.00 0.00 H new ATOM 0 HA ALA A 28 18.217 -4.514 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.940 -2.735 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.375 -4.173 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.655 -2.757 3.859 1.00 0.00 H new ATOM 409 N ALA A 29 17.187 -1.929 4.170 1.00 0.00 N ATOM 410 CA ALA A 29 16.187 -0.828 4.234 1.00 0.00 C ATOM 411 C ALA A 29 14.780 -1.424 4.207 1.00 0.00 C ATOM 412 O ALA A 29 13.817 -0.792 4.591 1.00 0.00 O ATOM 413 CB ALA A 29 16.435 0.020 2.988 1.00 0.00 C ATOM 0 H ALA A 29 17.799 -1.917 3.354 1.00 0.00 H new ATOM 0 HA ALA A 29 16.277 -0.233 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.732 0.853 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.454 0.406 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.296 -0.593 2.097 1.00 0.00 H new ATOM 419 N VAL A 30 14.660 -2.645 3.759 1.00 0.00 N ATOM 420 CA VAL A 30 13.321 -3.291 3.710 1.00 0.00 C ATOM 421 C VAL A 30 12.892 -3.700 5.122 1.00 0.00 C ATOM 422 O VAL A 30 11.744 -3.566 5.496 1.00 0.00 O ATOM 423 CB VAL A 30 13.505 -4.523 2.820 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.371 -5.519 3.071 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.483 -4.094 1.352 1.00 0.00 C ATOM 0 H VAL A 30 15.433 -3.221 3.425 1.00 0.00 H new ATOM 0 HA VAL A 30 12.550 -2.627 3.321 1.00 0.00 H new ATOM 0 HB VAL A 30 14.459 -4.996 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.507 -6.394 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.381 -5.826 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.415 -5.048 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.614 -4.969 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.528 -3.620 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.292 -3.387 1.167 1.00 0.00 H new ATOM 435 N THR A 31 13.809 -4.198 5.910 1.00 0.00 N ATOM 436 CA THR A 31 13.451 -4.612 7.296 1.00 0.00 C ATOM 437 C THR A 31 13.340 -3.381 8.199 1.00 0.00 C ATOM 438 O THR A 31 12.599 -3.369 9.162 1.00 0.00 O ATOM 439 CB THR A 31 14.601 -5.510 7.753 1.00 0.00 C ATOM 440 OG1 THR A 31 14.697 -6.631 6.884 1.00 0.00 O ATOM 441 CG2 THR A 31 14.340 -5.990 9.181 1.00 0.00 C ATOM 0 H THR A 31 14.787 -4.335 5.654 1.00 0.00 H new ATOM 0 HA THR A 31 12.492 -5.128 7.339 1.00 0.00 H new ATOM 0 HB THR A 31 15.534 -4.948 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.234 -6.392 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.161 -6.630 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.266 -5.130 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.407 -6.553 9.211 1.00 0.00 H new ATOM 449 N ALA A 32 14.071 -2.343 7.894 1.00 0.00 N ATOM 450 CA ALA A 32 14.004 -1.112 8.731 1.00 0.00 C ATOM 451 C ALA A 32 12.759 -0.299 8.370 1.00 0.00 C ATOM 452 O ALA A 32 12.254 0.470 9.164 1.00 0.00 O ATOM 453 CB ALA A 32 15.274 -0.331 8.390 1.00 0.00 C ATOM 0 H ALA A 32 14.711 -2.295 7.102 1.00 0.00 H new ATOM 0 HA ALA A 32 13.940 -1.337 9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.299 0.593 8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.149 -0.935 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.281 -0.094 7.326 1.00 0.00 H new ATOM 459 N ALA A 33 12.257 -0.468 7.177 1.00 0.00 N ATOM 460 CA ALA A 33 11.042 0.292 6.763 1.00 0.00 C ATOM 461 C ALA A 33 9.787 -0.373 7.334 1.00 0.00 C ATOM 462 O ALA A 33 8.678 0.024 7.041 1.00 0.00 O ATOM 463 CB ALA A 33 11.036 0.228 5.236 1.00 0.00 C ATOM 0 H ALA A 33 12.635 -1.099 6.471 1.00 0.00 H new ATOM 0 HA ALA A 33 11.052 1.320 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.169 0.766 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.947 0.685 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.988 -0.813 4.916 1.00 0.00 H new ATOM 469 N ASN A 34 9.956 -1.379 8.148 1.00 0.00 N ATOM 470 CA ASN A 34 8.776 -2.073 8.744 1.00 0.00 C ATOM 471 C ASN A 34 7.868 -2.637 7.643 1.00 0.00 C ATOM 472 O ASN A 34 6.759 -2.178 7.430 1.00 0.00 O ATOM 473 CB ASN A 34 8.052 -1.000 9.560 1.00 0.00 C ATOM 474 CG ASN A 34 6.822 -1.605 10.245 1.00 0.00 C ATOM 475 OD1 ASN A 34 5.982 -0.887 10.748 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.679 -2.903 10.293 1.00 0.00 N ATOM 0 H ASN A 34 10.863 -1.752 8.428 1.00 0.00 H new ATOM 0 HA ASN A 34 9.068 -2.921 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.727 -0.583 10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.750 -0.179 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.864 -3.310 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.383 -3.510 9.872 1.00 0.00 H new ATOM 483 N ILE A 35 8.332 -3.641 6.948 1.00 0.00 N ATOM 484 CA ILE A 35 7.507 -4.255 5.869 1.00 0.00 C ATOM 485 C ILE A 35 7.251 -5.728 6.195 1.00 0.00 C ATOM 486 O ILE A 35 8.143 -6.445 6.604 1.00 0.00 O ATOM 487 CB ILE A 35 8.350 -4.120 4.599 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.421 -2.645 4.194 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.712 -4.927 3.463 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.793 -2.349 3.587 1.00 0.00 C ATOM 0 H ILE A 35 9.251 -4.063 7.082 1.00 0.00 H new ATOM 0 HA ILE A 35 6.535 -3.775 5.758 1.00 0.00 H new ATOM 0 HB ILE A 35 9.354 -4.500 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.636 -2.416 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.251 -2.010 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.317 -4.827 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.658 -5.977 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.707 -4.551 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.844 -1.299 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.570 -2.562 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.944 -2.975 2.708 1.00 0.00 H new ATOM 502 N ARG A 36 6.043 -6.185 6.025 1.00 0.00 N ATOM 503 CA ARG A 36 5.742 -7.612 6.335 1.00 0.00 C ATOM 504 C ARG A 36 5.343 -8.362 5.062 1.00 0.00 C ATOM 505 O ARG A 36 4.782 -7.796 4.143 1.00 0.00 O ATOM 506 CB ARG A 36 4.573 -7.569 7.318 1.00 0.00 C ATOM 507 CG ARG A 36 4.945 -6.698 8.520 1.00 0.00 C ATOM 508 CD ARG A 36 3.756 -6.617 9.480 1.00 0.00 C ATOM 509 NE ARG A 36 4.240 -7.240 10.744 1.00 0.00 N ATOM 510 CZ ARG A 36 3.619 -7.003 11.867 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.484 -7.593 12.124 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.133 -6.174 12.734 1.00 0.00 N ATOM 0 H ARG A 36 5.253 -5.636 5.686 1.00 0.00 H new ATOM 0 HA ARG A 36 6.606 -8.131 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.686 -7.169 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.326 -8.578 7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.811 -7.117 9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.225 -5.699 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.448 -5.584 9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.891 -7.149 9.083 1.00 0.00 H new ATOM 0 HE ARG A 36 5.056 -7.851 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.081 -8.240 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.000 -7.407 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.020 -5.712 12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.648 -5.988 13.612 1.00 0.00 H new ATOM 526 N ARG A 37 5.628 -9.634 5.007 1.00 0.00 N ATOM 527 CA ARG A 37 5.265 -10.430 3.801 1.00 0.00 C ATOM 528 C ARG A 37 3.959 -11.189 4.053 1.00 0.00 C ATOM 529 O ARG A 37 3.701 -11.648 5.148 1.00 0.00 O ATOM 530 CB ARG A 37 6.424 -11.405 3.604 1.00 0.00 C ATOM 531 CG ARG A 37 7.336 -10.895 2.486 1.00 0.00 C ATOM 532 CD ARG A 37 8.748 -11.449 2.683 1.00 0.00 C ATOM 533 NE ARG A 37 8.620 -12.914 2.451 1.00 0.00 N ATOM 534 CZ ARG A 37 8.877 -13.413 1.274 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.056 -13.249 0.739 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.955 -14.075 0.629 1.00 0.00 N ATOM 0 H ARG A 37 6.097 -10.157 5.746 1.00 0.00 H new ATOM 0 HA ARG A 37 5.109 -9.806 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.989 -11.507 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.042 -12.395 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.946 -11.203 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.358 -9.805 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.451 -10.998 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.119 -11.239 3.686 1.00 0.00 H new ATOM 0 HE ARG A 37 8.331 -13.528 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.776 -12.731 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.257 -13.639 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.033 -14.202 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.157 -14.465 -0.292 1.00 0.00 H new ATOM 550 N ALA A 38 3.135 -11.325 3.052 1.00 0.00 N ATOM 551 CA ALA A 38 1.850 -12.054 3.244 1.00 0.00 C ATOM 552 C ALA A 38 1.829 -13.325 2.390 1.00 0.00 C ATOM 553 O ALA A 38 2.620 -13.488 1.483 1.00 0.00 O ATOM 554 CB ALA A 38 0.768 -11.076 2.783 1.00 0.00 C ATOM 0 H ALA A 38 3.295 -10.964 2.111 1.00 0.00 H new ATOM 0 HA ALA A 38 1.702 -12.367 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.212 -11.540 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.812 -10.172 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.932 -10.819 1.737 1.00 0.00 H new ATOM 560 N SER A 39 0.930 -14.226 2.678 1.00 0.00 N ATOM 561 CA SER A 39 0.859 -15.488 1.886 1.00 0.00 C ATOM 562 C SER A 39 0.881 -15.179 0.387 1.00 0.00 C ATOM 563 O SER A 39 1.320 -15.980 -0.415 1.00 0.00 O ATOM 564 CB SER A 39 -0.471 -16.126 2.283 1.00 0.00 C ATOM 565 OG SER A 39 -1.467 -15.117 2.373 1.00 0.00 O ATOM 0 H SER A 39 0.242 -14.144 3.427 1.00 0.00 H new ATOM 0 HA SER A 39 1.705 -16.147 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.762 -16.876 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.370 -16.640 3.239 1.00 0.00 H new ATOM 0 HG SER A 39 -2.322 -15.523 2.626 1.00 0.00 H new ATOM 571 N SER A 40 0.409 -14.026 0.001 1.00 0.00 N ATOM 572 CA SER A 40 0.403 -13.672 -1.448 1.00 0.00 C ATOM 573 C SER A 40 0.163 -12.171 -1.631 1.00 0.00 C ATOM 574 O SER A 40 0.214 -11.403 -0.689 1.00 0.00 O ATOM 575 CB SER A 40 -0.753 -14.472 -2.047 1.00 0.00 C ATOM 576 OG SER A 40 -0.714 -15.801 -1.544 1.00 0.00 O ATOM 0 H SER A 40 0.028 -13.314 0.624 1.00 0.00 H new ATOM 0 HA SER A 40 1.354 -13.902 -1.929 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.704 -14.003 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.680 -14.480 -3.135 1.00 0.00 H new ATOM 0 HG SER A 40 0.202 -16.145 -1.600 1.00 0.00 H new ATOM 582 N ASP A 41 -0.101 -11.748 -2.837 1.00 0.00 N ATOM 583 CA ASP A 41 -0.347 -10.297 -3.086 1.00 0.00 C ATOM 584 C ASP A 41 -1.613 -9.843 -2.354 1.00 0.00 C ATOM 585 O ASP A 41 -1.796 -8.675 -2.079 1.00 0.00 O ATOM 586 CB ASP A 41 -0.532 -10.181 -4.598 1.00 0.00 C ATOM 587 CG ASP A 41 0.837 -10.184 -5.282 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.828 -10.054 -4.583 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.871 -10.316 -6.495 1.00 0.00 O ATOM 0 H ASP A 41 -0.157 -12.345 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 41 0.470 -9.671 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.136 -11.011 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.069 -9.264 -4.840 1.00 0.00 H new ATOM 594 N ASN A 42 -2.487 -10.758 -2.038 1.00 0.00 N ATOM 595 CA ASN A 42 -3.738 -10.379 -1.324 1.00 0.00 C ATOM 596 C ASN A 42 -3.507 -10.407 0.190 1.00 0.00 C ATOM 597 O ASN A 42 -3.338 -11.457 0.780 1.00 0.00 O ATOM 598 CB ASN A 42 -4.763 -11.438 -1.729 1.00 0.00 C ATOM 599 CG ASN A 42 -6.166 -10.969 -1.343 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.914 -10.503 -2.179 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.558 -11.074 -0.102 1.00 0.00 N ATOM 0 H ASN A 42 -2.389 -11.752 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.072 -9.373 -1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.711 -11.617 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.537 -12.384 -1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.492 -10.765 0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.930 -11.465 0.600 1.00 0.00 H new ATOM 608 N HIS A 43 -3.500 -9.267 0.827 1.00 0.00 N ATOM 609 CA HIS A 43 -3.282 -9.244 2.302 1.00 0.00 C ATOM 610 C HIS A 43 -4.031 -8.074 2.932 1.00 0.00 C ATOM 611 O HIS A 43 -4.625 -7.261 2.252 1.00 0.00 O ATOM 612 CB HIS A 43 -1.773 -9.072 2.502 1.00 0.00 C ATOM 613 CG HIS A 43 -1.219 -8.081 1.508 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.063 -6.734 1.805 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.750 -8.239 0.230 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.512 -6.140 0.726 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.305 -7.015 -0.263 1.00 0.00 N ATOM 0 H HIS A 43 -3.635 -8.354 0.392 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.649 -10.156 2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.571 -8.730 3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.272 -10.033 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.729 -9.172 -0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.269 -5.089 0.669 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.094 -6.826 -1.183 1.00 0.00 H new ATOM 625 N SER A 44 -3.997 -7.978 4.230 1.00 0.00 N ATOM 626 CA SER A 44 -4.699 -6.856 4.908 1.00 0.00 C ATOM 627 C SER A 44 -3.843 -5.594 4.831 1.00 0.00 C ATOM 628 O SER A 44 -2.639 -5.639 4.995 1.00 0.00 O ATOM 629 CB SER A 44 -4.864 -7.299 6.358 1.00 0.00 C ATOM 630 OG SER A 44 -3.838 -6.712 7.149 1.00 0.00 O ATOM 0 H SER A 44 -3.514 -8.628 4.850 1.00 0.00 H new ATOM 0 HA SER A 44 -5.660 -6.629 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.843 -7.000 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.815 -8.386 6.426 1.00 0.00 H new ATOM 0 HG SER A 44 -3.942 -6.994 8.082 1.00 0.00 H new ATOM 636 N CYS A 45 -4.448 -4.470 4.586 1.00 0.00 N ATOM 637 CA CYS A 45 -3.656 -3.213 4.505 1.00 0.00 C ATOM 638 C CYS A 45 -4.290 -2.126 5.372 1.00 0.00 C ATOM 639 O CYS A 45 -5.328 -2.319 5.981 1.00 0.00 O ATOM 640 CB CYS A 45 -3.672 -2.810 3.030 1.00 0.00 C ATOM 641 SG CYS A 45 -5.351 -2.949 2.371 1.00 0.00 S ATOM 0 H CYS A 45 -5.452 -4.365 4.439 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.638 -3.351 4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.312 -1.787 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.995 -3.449 2.462 1.00 0.00 H new ATOM 646 N ALA A 46 -3.662 -0.990 5.441 1.00 0.00 N ATOM 647 CA ALA A 46 -4.208 0.112 6.280 1.00 0.00 C ATOM 648 C ALA A 46 -4.566 -0.437 7.661 1.00 0.00 C ATOM 649 O ALA A 46 -5.575 -0.086 8.240 1.00 0.00 O ATOM 650 CB ALA A 46 -5.460 0.589 5.545 1.00 0.00 C ATOM 0 H ALA A 46 -2.793 -0.775 4.953 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.498 0.926 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.921 1.404 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.186 0.940 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.167 -0.236 5.457 1.00 0.00 H new ATOM 656 N GLY A 47 -3.749 -1.311 8.185 1.00 0.00 N ATOM 657 CA GLY A 47 -4.043 -1.900 9.519 1.00 0.00 C ATOM 658 C GLY A 47 -5.204 -2.884 9.377 1.00 0.00 C ATOM 659 O GLY A 47 -5.413 -3.459 8.327 1.00 0.00 O ATOM 0 H GLY A 47 -2.890 -1.641 7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.162 -2.409 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.298 -1.115 10.230 1.00 0.00 H new ATOM 663 N ASN A 48 -5.966 -3.078 10.415 1.00 0.00 N ATOM 664 CA ASN A 48 -7.113 -4.016 10.325 1.00 0.00 C ATOM 665 C ASN A 48 -8.352 -3.279 9.810 1.00 0.00 C ATOM 666 O ASN A 48 -9.472 -3.677 10.060 1.00 0.00 O ATOM 667 CB ASN A 48 -7.335 -4.511 11.754 1.00 0.00 C ATOM 668 CG ASN A 48 -6.285 -5.570 12.097 1.00 0.00 C ATOM 669 OD1 ASN A 48 -5.661 -6.129 11.217 1.00 0.00 O ATOM 670 ND2 ASN A 48 -6.064 -5.872 13.347 1.00 0.00 N ATOM 0 H ASN A 48 -5.843 -2.627 11.321 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.923 -4.840 9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.268 -3.678 12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.336 -4.931 11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.367 -6.578 13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.588 -5.402 14.085 1.00 0.00 H new ATOM 677 N ARG A 49 -8.158 -2.199 9.100 1.00 0.00 N ATOM 678 CA ARG A 49 -9.318 -1.428 8.580 1.00 0.00 C ATOM 679 C ARG A 49 -9.489 -1.652 7.075 1.00 0.00 C ATOM 680 O ARG A 49 -10.582 -1.571 6.550 1.00 0.00 O ATOM 681 CB ARG A 49 -8.967 0.029 8.866 1.00 0.00 C ATOM 682 CG ARG A 49 -8.977 0.272 10.376 1.00 0.00 C ATOM 683 CD ARG A 49 -9.263 1.749 10.657 1.00 0.00 C ATOM 684 NE ARG A 49 -7.991 2.288 11.211 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.008 3.016 12.293 1.00 0.00 C ATOM 686 NH1 ARG A 49 -8.603 4.177 12.289 1.00 0.00 N ATOM 687 NH2 ARG A 49 -7.429 2.585 13.380 1.00 0.00 N ATOM 0 H ARG A 49 -7.243 -1.819 8.859 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.256 -1.731 9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.985 0.264 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.683 0.689 8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.735 -0.352 10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.016 -0.011 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.552 2.275 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.083 1.865 11.366 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.106 2.088 10.745 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.055 4.515 11.440 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.616 4.746 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.962 1.678 13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.443 3.155 14.226 1.00 0.00 H new ATOM 701 N GLY A 50 -8.424 -1.925 6.372 1.00 0.00 N ATOM 702 CA GLY A 50 -8.549 -2.141 4.902 1.00 0.00 C ATOM 703 C GLY A 50 -8.013 -3.524 4.529 1.00 0.00 C ATOM 704 O GLY A 50 -7.326 -4.166 5.297 1.00 0.00 O ATOM 0 H GLY A 50 -7.479 -2.007 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.593 -2.053 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.996 -1.371 4.365 1.00 0.00 H new ATOM 708 N TRP A 51 -8.330 -3.986 3.350 1.00 0.00 N ATOM 709 CA TRP A 51 -7.848 -5.328 2.912 1.00 0.00 C ATOM 710 C TRP A 51 -7.499 -5.290 1.421 1.00 0.00 C ATOM 711 O TRP A 51 -7.721 -4.300 0.752 1.00 0.00 O ATOM 712 CB TRP A 51 -9.033 -6.260 3.157 1.00 0.00 C ATOM 713 CG TRP A 51 -8.820 -7.031 4.419 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.540 -6.875 5.554 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.845 -8.078 4.693 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.069 -7.759 6.507 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.025 -8.522 6.025 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.834 -8.679 3.925 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.228 -9.527 6.575 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.031 -9.690 4.474 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.227 -10.114 5.796 1.00 0.00 C ATOM 0 H TRP A 51 -8.904 -3.490 2.668 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.954 -5.651 3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.954 -5.681 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.148 -6.945 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.350 -6.174 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.447 -7.838 7.451 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.674 -8.361 2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.383 -9.849 7.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.257 -10.145 3.874 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.605 -10.893 6.212 1.00 0.00 H new ATOM 732 N CYS A 52 -6.953 -6.352 0.889 1.00 0.00 N ATOM 733 CA CYS A 52 -6.598 -6.350 -0.559 1.00 0.00 C ATOM 734 C CYS A 52 -7.533 -7.270 -1.349 1.00 0.00 C ATOM 735 O CYS A 52 -7.515 -8.475 -1.193 1.00 0.00 O ATOM 736 CB CYS A 52 -5.166 -6.878 -0.615 1.00 0.00 C ATOM 737 SG CYS A 52 -4.395 -6.362 -2.168 1.00 0.00 S ATOM 0 H CYS A 52 -6.739 -7.214 1.391 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.691 -5.357 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.594 -6.499 0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.164 -7.965 -0.539 1.00 0.00 H new ATOM 742 N ARG A 53 -8.341 -6.706 -2.203 1.00 0.00 N ATOM 743 CA ARG A 53 -9.276 -7.536 -3.016 1.00 0.00 C ATOM 744 C ARG A 53 -9.218 -7.091 -4.479 1.00 0.00 C ATOM 745 O ARG A 53 -9.086 -5.920 -4.772 1.00 0.00 O ATOM 746 CB ARG A 53 -10.666 -7.251 -2.443 1.00 0.00 C ATOM 747 CG ARG A 53 -10.676 -7.490 -0.935 1.00 0.00 C ATOM 748 CD ARG A 53 -11.189 -6.231 -0.242 1.00 0.00 C ATOM 749 NE ARG A 53 -11.233 -6.580 1.205 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.912 -5.838 2.039 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.445 -4.717 1.636 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.058 -6.219 3.279 1.00 0.00 N ATOM 0 H ARG A 53 -8.395 -5.702 -2.374 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.026 -8.596 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.951 -6.221 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.404 -7.892 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.312 -8.341 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.673 -7.732 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.529 -5.383 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.176 -5.951 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.732 -7.400 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.332 -4.418 0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.974 -4.140 2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.642 -7.095 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.588 -5.641 3.931 1.00 0.00 H new ATOM 766 N SER A 54 -9.331 -8.006 -5.403 1.00 0.00 N ATOM 767 CA SER A 54 -9.296 -7.602 -6.837 1.00 0.00 C ATOM 768 C SER A 54 -10.216 -6.400 -7.031 1.00 0.00 C ATOM 769 O SER A 54 -9.913 -5.473 -7.756 1.00 0.00 O ATOM 770 CB SER A 54 -9.817 -8.815 -7.608 1.00 0.00 C ATOM 771 OG SER A 54 -11.188 -8.617 -7.923 1.00 0.00 O ATOM 0 H SER A 54 -9.445 -9.005 -5.230 1.00 0.00 H new ATOM 0 HA SER A 54 -8.301 -7.317 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.239 -8.956 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.696 -9.719 -7.011 1.00 0.00 H new ATOM 0 HG SER A 54 -11.525 -9.392 -8.419 1.00 0.00 H new ATOM 777 N LYS A 55 -11.337 -6.413 -6.370 1.00 0.00 N ATOM 778 CA LYS A 55 -12.297 -5.287 -6.476 1.00 0.00 C ATOM 779 C LYS A 55 -12.806 -4.938 -5.067 1.00 0.00 C ATOM 780 O LYS A 55 -12.549 -5.650 -4.117 1.00 0.00 O ATOM 781 CB LYS A 55 -13.412 -5.833 -7.380 1.00 0.00 C ATOM 782 CG LYS A 55 -14.793 -5.469 -6.826 1.00 0.00 C ATOM 783 CD LYS A 55 -15.878 -6.139 -7.671 1.00 0.00 C ATOM 784 CE LYS A 55 -17.222 -6.047 -6.945 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.981 -7.249 -7.388 1.00 0.00 N ATOM 0 H LYS A 55 -11.632 -7.169 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.874 -4.371 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.301 -5.428 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.322 -6.916 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.876 -5.791 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.926 -4.387 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.945 -5.655 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.621 -7.183 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.087 -6.042 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.749 -5.129 -7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.916 -7.257 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.100 -7.223 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.458 -8.108 -7.121 1.00 0.00 H new ATOM 799 N CYS A 56 -13.524 -3.860 -4.924 1.00 0.00 N ATOM 800 CA CYS A 56 -14.040 -3.492 -3.572 1.00 0.00 C ATOM 801 C CYS A 56 -15.570 -3.446 -3.589 1.00 0.00 C ATOM 802 O CYS A 56 -16.193 -3.642 -4.613 1.00 0.00 O ATOM 803 CB CYS A 56 -13.462 -2.104 -3.271 1.00 0.00 C ATOM 804 SG CYS A 56 -11.721 -2.038 -3.766 1.00 0.00 S ATOM 0 H CYS A 56 -13.776 -3.220 -5.677 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.748 -4.218 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -14.029 -1.341 -3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.555 -1.885 -2.207 1.00 0.00 H new ATOM 809 N PHE A 57 -16.181 -3.195 -2.464 1.00 0.00 N ATOM 810 CA PHE A 57 -17.672 -3.144 -2.424 1.00 0.00 C ATOM 811 C PHE A 57 -18.167 -1.727 -2.721 1.00 0.00 C ATOM 812 O PHE A 57 -17.415 -0.870 -3.140 1.00 0.00 O ATOM 813 CB PHE A 57 -18.046 -3.553 -0.999 1.00 0.00 C ATOM 814 CG PHE A 57 -18.330 -5.036 -0.959 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.320 -5.581 -1.785 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.601 -5.865 -0.098 1.00 0.00 C ATOM 817 CE1 PHE A 57 -19.584 -6.955 -1.749 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.864 -7.240 -0.062 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.856 -7.785 -0.888 1.00 0.00 C ATOM 0 H PHE A 57 -15.715 -3.023 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.124 -3.799 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.234 -3.309 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.922 -2.995 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.880 -4.941 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.836 -5.444 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -20.349 -7.375 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.302 -7.880 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.059 -8.845 -0.860 1.00 0.00 H new ATOM 829 N ARG A 58 -19.430 -1.479 -2.509 1.00 0.00 N ATOM 830 CA ARG A 58 -19.981 -0.125 -2.779 1.00 0.00 C ATOM 831 C ARG A 58 -19.750 0.788 -1.577 1.00 0.00 C ATOM 832 O ARG A 58 -19.374 1.935 -1.718 1.00 0.00 O ATOM 833 CB ARG A 58 -21.476 -0.342 -3.011 1.00 0.00 C ATOM 834 CG ARG A 58 -22.010 0.738 -3.954 1.00 0.00 C ATOM 835 CD ARG A 58 -23.538 0.759 -3.893 1.00 0.00 C ATOM 836 NE ARG A 58 -23.906 2.199 -3.980 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.719 2.609 -4.915 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.999 2.374 -4.816 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.251 3.255 -5.949 1.00 0.00 N ATOM 0 H ARG A 58 -20.105 -2.159 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.503 0.352 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.649 -1.330 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -22.011 -0.307 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.611 1.712 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.679 0.541 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.974 0.190 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.902 0.313 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.523 2.865 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -26.364 1.870 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -26.634 2.694 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.251 3.439 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.886 3.576 -6.680 1.00 0.00 H new ATOM 853 N HIS A 59 -19.962 0.285 -0.394 1.00 0.00 N ATOM 854 CA HIS A 59 -19.745 1.122 0.818 1.00 0.00 C ATOM 855 C HIS A 59 -18.245 1.334 1.042 1.00 0.00 C ATOM 856 O HIS A 59 -17.834 2.007 1.967 1.00 0.00 O ATOM 857 CB HIS A 59 -20.354 0.317 1.968 1.00 0.00 C ATOM 858 CG HIS A 59 -20.532 1.208 3.166 1.00 0.00 C ATOM 859 ND1 HIS A 59 -19.878 0.973 4.365 1.00 0.00 N ATOM 860 CD2 HIS A 59 -21.289 2.336 3.367 1.00 0.00 C ATOM 861 CE1 HIS A 59 -20.250 1.938 5.225 1.00 0.00 C ATOM 862 NE2 HIS A 59 -21.109 2.795 4.668 1.00 0.00 N ATOM 0 H HIS A 59 -20.276 -0.669 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.198 2.110 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.315 -0.099 1.665 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.707 -0.524 2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.927 2.797 2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.897 2.011 6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -21.540 3.611 5.103 1.00 0.00 H new ATOM 870 N GLU A 60 -17.422 0.762 0.201 1.00 0.00 N ATOM 871 CA GLU A 60 -15.953 0.927 0.366 1.00 0.00 C ATOM 872 C GLU A 60 -15.333 1.436 -0.938 1.00 0.00 C ATOM 873 O GLU A 60 -16.017 1.643 -1.921 1.00 0.00 O ATOM 874 CB GLU A 60 -15.444 -0.477 0.687 1.00 0.00 C ATOM 875 CG GLU A 60 -15.567 -0.738 2.189 1.00 0.00 C ATOM 876 CD GLU A 60 -15.394 -2.233 2.463 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.276 -2.990 2.090 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.383 -2.596 3.041 1.00 0.00 O ATOM 0 H GLU A 60 -17.707 0.188 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.696 1.647 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.018 -1.218 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.405 -0.578 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.812 -0.168 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.539 -0.402 2.549 1.00 0.00 H new ATOM 885 N TYR A 61 -14.043 1.632 -0.958 1.00 0.00 N ATOM 886 CA TYR A 61 -13.383 2.117 -2.204 1.00 0.00 C ATOM 887 C TYR A 61 -12.053 1.396 -2.407 1.00 0.00 C ATOM 888 O TYR A 61 -11.796 0.367 -1.814 1.00 0.00 O ATOM 889 CB TYR A 61 -13.151 3.615 -1.993 1.00 0.00 C ATOM 890 CG TYR A 61 -12.189 3.829 -0.847 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.579 3.520 0.462 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.909 4.342 -1.094 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.690 3.722 1.523 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.020 4.544 -0.030 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.411 4.234 1.278 1.00 0.00 C ATOM 896 OH TYR A 61 -9.535 4.434 2.325 1.00 0.00 O ATOM 0 H TYR A 61 -13.418 1.478 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.993 1.927 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.751 4.062 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.098 4.113 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.566 3.126 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.608 4.581 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.991 3.483 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.033 4.939 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.691 4.793 1.981 1.00 0.00 H new ATOM 906 N VAL A 62 -11.205 1.929 -3.238 1.00 0.00 N ATOM 907 CA VAL A 62 -9.887 1.277 -3.479 1.00 0.00 C ATOM 908 C VAL A 62 -8.765 2.131 -2.890 1.00 0.00 C ATOM 909 O VAL A 62 -8.199 2.967 -3.564 1.00 0.00 O ATOM 910 CB VAL A 62 -9.756 1.196 -4.999 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.323 0.813 -5.369 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.719 0.137 -5.538 1.00 0.00 C ATOM 0 H VAL A 62 -11.366 2.789 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.820 0.294 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.998 2.165 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.230 0.755 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.635 1.566 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.081 -0.156 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.626 0.079 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.477 -0.832 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.742 0.408 -5.276 1.00 0.00 H new ATOM 922 N ASP A 63 -8.444 1.928 -1.640 1.00 0.00 N ATOM 923 CA ASP A 63 -7.357 2.730 -1.002 1.00 0.00 C ATOM 924 C ASP A 63 -6.190 2.910 -1.976 1.00 0.00 C ATOM 925 O ASP A 63 -5.299 2.088 -2.055 1.00 0.00 O ATOM 926 CB ASP A 63 -6.919 1.912 0.214 1.00 0.00 C ATOM 927 CG ASP A 63 -6.193 2.822 1.208 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.576 3.776 0.766 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.267 2.547 2.394 1.00 0.00 O ATOM 0 H ASP A 63 -8.888 1.240 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.693 3.728 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.787 1.455 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.262 1.100 -0.098 1.00 0.00 H new ATOM 934 N THR A 64 -6.195 3.979 -2.724 1.00 0.00 N ATOM 935 CA THR A 64 -5.092 4.213 -3.700 1.00 0.00 C ATOM 936 C THR A 64 -3.742 4.238 -2.982 1.00 0.00 C ATOM 937 O THR A 64 -2.735 3.811 -3.514 1.00 0.00 O ATOM 938 CB THR A 64 -5.397 5.580 -4.316 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.841 6.466 -3.298 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.488 5.431 -5.379 1.00 0.00 C ATOM 0 H THR A 64 -6.915 4.701 -2.702 1.00 0.00 H new ATOM 0 HA THR A 64 -5.033 3.427 -4.453 1.00 0.00 H new ATOM 0 HB THR A 64 -4.495 5.981 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.816 6.554 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.705 6.405 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.146 4.750 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.392 5.031 -4.919 1.00 0.00 H new ATOM 948 N TYR A 65 -3.711 4.743 -1.782 1.00 0.00 N ATOM 949 CA TYR A 65 -2.426 4.806 -1.028 1.00 0.00 C ATOM 950 C TYR A 65 -1.889 3.398 -0.752 1.00 0.00 C ATOM 951 O TYR A 65 -0.720 3.124 -0.938 1.00 0.00 O ATOM 952 CB TYR A 65 -2.776 5.505 0.284 1.00 0.00 C ATOM 953 CG TYR A 65 -1.537 6.145 0.860 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.887 7.168 0.160 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.037 5.715 2.095 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.263 7.761 0.694 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.113 6.307 2.630 1.00 0.00 C ATOM 958 CZ TYR A 65 0.762 7.330 1.929 1.00 0.00 C ATOM 959 OH TYR A 65 1.896 7.916 2.457 1.00 0.00 O ATOM 0 H TYR A 65 -4.521 5.116 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.652 5.333 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.542 6.261 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.190 4.787 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.273 7.500 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.539 4.926 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.765 8.550 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.499 5.975 3.582 1.00 0.00 H new ATOM 0 HH TYR A 65 2.107 7.502 3.320 1.00 0.00 H new ATOM 969 N TYR A 66 -2.728 2.509 -0.298 1.00 0.00 N ATOM 970 CA TYR A 66 -2.252 1.128 0.003 1.00 0.00 C ATOM 971 C TYR A 66 -2.301 0.245 -1.246 1.00 0.00 C ATOM 972 O TYR A 66 -1.820 -0.873 -1.245 1.00 0.00 O ATOM 973 CB TYR A 66 -3.201 0.607 1.079 1.00 0.00 C ATOM 974 CG TYR A 66 -2.684 1.031 2.431 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.697 0.271 3.069 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.182 2.187 3.042 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.209 0.667 4.320 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.695 2.582 4.294 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.708 1.822 4.933 1.00 0.00 C ATOM 980 OH TYR A 66 -1.227 2.212 6.166 1.00 0.00 O ATOM 0 H TYR A 66 -3.719 2.677 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.214 1.120 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.205 1.000 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.272 -0.479 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.312 -0.621 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.942 2.774 2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.447 0.081 4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.081 3.473 4.767 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.679 3.035 6.448 1.00 0.00 H new ATOM 990 N SER A 67 -2.855 0.736 -2.320 1.00 0.00 N ATOM 991 CA SER A 67 -2.899 -0.085 -3.561 1.00 0.00 C ATOM 992 C SER A 67 -1.496 -0.626 -3.853 1.00 0.00 C ATOM 993 O SER A 67 -1.327 -1.613 -4.542 1.00 0.00 O ATOM 994 CB SER A 67 -3.345 0.878 -4.660 1.00 0.00 C ATOM 995 OG SER A 67 -4.741 1.119 -4.536 1.00 0.00 O ATOM 0 H SER A 67 -3.276 1.662 -2.392 1.00 0.00 H new ATOM 0 HA SER A 67 -3.572 -0.939 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.794 1.816 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.123 0.457 -5.641 1.00 0.00 H new ATOM 0 HG SER A 67 -4.941 1.420 -3.625 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.489 0.022 -3.327 1.00 0.00 N ATOM 1002 CA ALA A 68 0.910 -0.436 -3.559 1.00 0.00 C ATOM 1003 C ALA A 68 1.158 -1.781 -2.868 1.00 0.00 C ATOM 1004 O ALA A 68 1.283 -2.803 -3.514 1.00 0.00 O ATOM 1005 CB ALA A 68 1.786 0.653 -2.944 1.00 0.00 C ATOM 0 H ALA A 68 -0.578 0.854 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 68 1.123 -0.586 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.836 0.391 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.586 1.604 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.562 0.743 -1.881 1.00 0.00 H new ATOM 1011 N VAL A 69 1.236 -1.795 -1.562 1.00 0.00 N ATOM 1012 CA VAL A 69 1.482 -3.086 -0.855 1.00 0.00 C ATOM 1013 C VAL A 69 0.595 -4.178 -1.449 1.00 0.00 C ATOM 1014 O VAL A 69 0.947 -5.340 -1.462 1.00 0.00 O ATOM 1015 CB VAL A 69 1.136 -2.828 0.620 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.375 -2.702 0.806 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.654 -3.985 1.475 1.00 0.00 C ATOM 0 H VAL A 69 1.141 -0.977 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 69 2.513 -3.424 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 69 1.607 -1.895 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.598 -2.520 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.747 -1.871 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.859 -3.625 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.409 -3.802 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.187 -4.915 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.736 -4.064 1.364 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.553 -3.810 -1.949 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.466 -4.823 -2.549 1.00 0.00 C ATOM 1029 C CYS A 70 -0.789 -5.513 -3.737 1.00 0.00 C ATOM 1030 O CYS A 70 -0.515 -6.696 -3.705 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.682 -4.026 -3.014 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.081 -4.382 -1.927 1.00 0.00 S ATOM 0 H CYS A 70 -0.898 -2.850 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.736 -5.607 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.459 -2.959 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.930 -4.287 -4.043 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.523 -4.785 -4.787 1.00 0.00 N ATOM 1038 CA GLY A 71 0.130 -5.402 -5.976 1.00 0.00 C ATOM 1039 C GLY A 71 -0.917 -5.635 -7.067 1.00 0.00 C ATOM 1040 O GLY A 71 -1.497 -4.705 -7.592 1.00 0.00 O ATOM 0 H GLY A 71 -0.730 -3.790 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.921 -4.751 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.598 -6.346 -5.698 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.168 -6.869 -7.412 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.182 -7.155 -8.468 1.00 0.00 C ATOM 1046 C ARG A 72 -3.555 -6.648 -8.023 1.00 0.00 C ATOM 1047 O ARG A 72 -4.234 -5.947 -8.746 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.196 -8.676 -8.607 1.00 0.00 C ATOM 1049 CG ARG A 72 -2.589 -9.052 -10.037 1.00 0.00 C ATOM 1050 CD ARG A 72 -2.427 -10.561 -10.231 1.00 0.00 C ATOM 1051 NE ARG A 72 -0.965 -10.766 -10.430 1.00 0.00 N ATOM 1052 CZ ARG A 72 -0.432 -11.931 -10.186 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.105 -12.255 -8.965 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -0.225 -12.771 -11.163 1.00 0.00 N ATOM 0 H ARG A 72 -0.716 -7.690 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.946 -6.664 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.213 -9.083 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.901 -9.111 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.621 -8.758 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.965 -8.514 -10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.789 -11.112 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.996 -10.912 -11.092 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.381 -9.996 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.266 -11.597 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.312 -13.166 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.480 -12.516 -12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.192 -13.682 -10.972 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.966 -6.994 -6.834 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.292 -6.529 -6.341 1.00 0.00 C ATOM 1070 C TYR A 73 -5.185 -5.090 -5.837 1.00 0.00 C ATOM 1071 O TYR A 73 -4.140 -4.473 -5.901 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.640 -7.458 -5.177 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.712 -8.886 -5.657 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.182 -9.171 -6.944 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.313 -9.925 -4.809 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.253 -10.498 -7.381 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.382 -11.251 -5.247 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.854 -11.540 -6.534 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.924 -12.848 -6.965 1.00 0.00 O ATOM 0 H TYR A 73 -3.441 -7.578 -6.183 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.049 -6.551 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.889 -7.367 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.595 -7.164 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.489 -8.368 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.952 -9.703 -3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.616 -10.720 -8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.071 -12.053 -4.593 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.608 -13.444 -6.254 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.256 -4.561 -5.321 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.221 -3.169 -4.794 1.00 0.00 C ATOM 1091 C PHE A 74 -6.609 -3.184 -3.318 1.00 0.00 C ATOM 1092 O PHE A 74 -7.473 -3.929 -2.904 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.256 -2.392 -5.610 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.185 -2.808 -7.060 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.770 -4.011 -7.468 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.538 -1.991 -7.993 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.709 -4.400 -8.810 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.476 -2.378 -9.337 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.061 -3.583 -9.746 1.00 0.00 C ATOM 0 H PHE A 74 -7.157 -5.033 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.233 -2.717 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.256 -2.579 -5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.073 -1.321 -5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.269 -4.640 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.087 -1.062 -7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.161 -5.329 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.977 -1.748 -10.058 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.013 -3.882 -10.783 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.985 -2.371 -2.517 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.336 -2.357 -1.071 1.00 0.00 C ATOM 1111 C CYS A 75 -7.611 -1.544 -0.866 1.00 0.00 C ATOM 1112 O CYS A 75 -7.586 -0.330 -0.853 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.149 -1.686 -0.376 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.612 -1.244 1.318 1.00 0.00 S ATOM 0 H CYS A 75 -5.252 -1.719 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.519 -3.355 -0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.292 -2.359 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.848 -0.795 -0.926 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.729 -2.198 -0.712 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.997 -1.446 -0.515 1.00 0.00 C ATOM 1121 C CYS A 76 -10.098 -0.966 0.932 1.00 0.00 C ATOM 1122 O CYS A 76 -9.361 -1.403 1.795 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.107 -2.445 -0.835 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.776 -3.226 -2.433 1.00 0.00 S ATOM 0 H CYS A 76 -8.818 -3.214 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.059 -0.561 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.165 -3.203 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.071 -1.937 -0.859 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.996 -0.063 1.202 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.135 0.452 2.593 1.00 0.00 C ATOM 1131 C ARG A 77 -12.535 1.029 2.809 1.00 0.00 C ATOM 1132 O ARG A 77 -13.341 1.085 1.902 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.082 1.556 2.710 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.835 1.004 3.401 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.338 2.013 4.439 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.475 2.183 5.386 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.307 2.841 6.502 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.157 3.403 6.766 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.289 2.936 7.355 1.00 0.00 N ATOM 0 H ARG A 77 -11.640 0.341 0.522 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.996 -0.331 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.825 1.933 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.483 2.396 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.064 0.053 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.055 0.809 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.449 1.646 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.069 2.960 3.971 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.387 1.785 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.388 3.328 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.028 3.916 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.187 2.497 7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.159 3.449 8.227 1.00 0.00 H new ATOM 1153 N SER A 78 -12.827 1.459 4.005 1.00 0.00 N ATOM 1154 CA SER A 78 -14.175 2.034 4.281 1.00 0.00 C ATOM 1155 C SER A 78 -14.080 3.556 4.429 1.00 0.00 C ATOM 1156 O SER A 78 -13.762 4.068 5.484 1.00 0.00 O ATOM 1157 CB SER A 78 -14.618 1.393 5.595 1.00 0.00 C ATOM 1158 OG SER A 78 -16.016 1.138 5.544 1.00 0.00 O ATOM 0 H SER A 78 -12.192 1.438 4.803 1.00 0.00 H new ATOM 0 HA SER A 78 -14.881 1.837 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.073 0.464 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.387 2.053 6.431 1.00 0.00 H new ATOM 0 HG SER A 78 -16.304 0.725 6.385 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.353 4.281 3.380 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.280 5.769 3.462 1.00 0.00 C ATOM 1166 C ARG A 79 -15.601 6.335 3.991 1.00 0.00 C ATOM 1167 O ARG A 79 -15.678 7.541 4.163 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.033 6.232 2.026 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.101 7.445 2.033 1.00 0.00 C ATOM 1170 CD ARG A 79 -13.372 8.305 0.797 1.00 0.00 C ATOM 1171 NE ARG A 79 -12.068 8.374 0.082 1.00 0.00 N ATOM 1172 CZ ARG A 79 -11.154 9.219 0.473 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -10.329 8.890 1.429 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.064 10.391 -0.093 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.509 5.553 4.215 1.00 0.00 O ATOM 0 H ARG A 79 -14.623 3.909 2.470 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.497 6.108 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.591 5.424 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.978 6.489 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.257 8.032 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.061 7.118 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.144 7.861 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.722 9.299 1.077 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.889 7.761 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.399 7.973 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.614 9.550 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.708 10.647 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.349 11.052 0.213 1.00 0.00 H new TER 1189 ARG A 79