USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 731 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 46 SER OG : rot -97:sc= 0.376 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 156:sc= 2.9 (180deg=1.82) USER MOD Single : A 1 MET CE :methyl -140:sc= -0.0937 (180deg=-0.463) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.884 (180deg=0.303) USER MOD Single : A 5 SER OG : rot 180:sc= -0.207 USER MOD Single : A 6 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.078) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.129 F(o=-1,f=-0.13) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00843 USER MOD Single : A 35 SER OG : rot 168:sc= 1.22 USER MOD Single : A 37 MET CE :methyl -135:sc= -0.125 (180deg=-1.05) USER MOD Single : A 38 HIS : no HE2:sc= -0.501 K(o=-0.5,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 47 SER OG : rot -34:sc= 0.827 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0019 F(o=-2,f=-0.0019) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -69:sc= 0.703 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.019 F(o=-1.1,f=-0.019) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0607 F(o=-0.58,f=-0.061) USER MOD Single : A 82 GLN :FLIP amide:sc= 0.0998 F(o=-0.49,f=0.1) USER MOD Single : A 83 ASN : amide:sc= 1.78 K(o=1.8,f=-8.6!) USER MOD Single : A 92 SER OG : rot -3:sc= 1.09 USER MOD Single : A 97 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.97) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.946 -2.344 -3.010 1.00 0.00 N ATOM 2 CA MET A 1 -13.273 -3.656 -2.843 1.00 0.00 C ATOM 3 C MET A 1 -12.159 -3.810 -3.865 1.00 0.00 C ATOM 4 O MET A 1 -12.320 -3.443 -5.030 1.00 0.00 O ATOM 5 CB MET A 1 -14.278 -4.795 -3.019 1.00 0.00 C ATOM 6 CG MET A 1 -13.659 -6.179 -2.886 1.00 0.00 C ATOM 7 SD MET A 1 -14.836 -7.503 -3.225 1.00 0.00 S ATOM 8 CE MET A 1 -16.042 -7.226 -1.931 1.00 0.00 C ATOM 0 H1 MET A 1 -14.899 -2.387 -2.595 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.392 -1.606 -2.529 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.019 -2.118 -4.022 1.00 0.00 H new ATOM 0 HA MET A 1 -12.852 -3.698 -1.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.070 -4.687 -2.278 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.745 -4.708 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.816 -6.263 -3.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.263 -6.300 -1.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.370 -8.184 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.592 -6.633 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.899 -6.692 -2.341 1.00 0.00 H new ATOM 20 N LEU A 2 -11.030 -4.342 -3.431 1.00 0.00 N ATOM 21 CA LEU A 2 -9.933 -4.620 -4.332 1.00 0.00 C ATOM 22 C LEU A 2 -9.984 -6.084 -4.743 1.00 0.00 C ATOM 23 O LEU A 2 -9.532 -6.966 -4.015 1.00 0.00 O ATOM 24 CB LEU A 2 -8.591 -4.290 -3.672 1.00 0.00 C ATOM 25 CG LEU A 2 -7.359 -4.466 -4.564 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.448 -3.568 -5.790 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.090 -4.167 -3.777 1.00 0.00 C ATOM 0 H LEU A 2 -10.852 -4.589 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.028 -3.993 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.621 -3.258 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.474 -4.921 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.325 -5.502 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.562 -3.709 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.338 -3.824 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.508 -2.526 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.222 -4.296 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.121 -3.140 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.017 -4.850 -2.931 1.00 0.00 H new ATOM 39 N VAL A 3 -10.599 -6.341 -5.885 1.00 0.00 N ATOM 40 CA VAL A 3 -10.710 -7.695 -6.403 1.00 0.00 C ATOM 41 C VAL A 3 -9.405 -8.114 -7.066 1.00 0.00 C ATOM 42 O VAL A 3 -8.984 -7.519 -8.058 1.00 0.00 O ATOM 43 CB VAL A 3 -11.863 -7.824 -7.419 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.028 -9.266 -7.870 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.157 -7.284 -6.834 1.00 0.00 C ATOM 0 H VAL A 3 -11.030 -5.628 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.923 -8.350 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.614 -7.226 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.847 -9.332 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.106 -9.608 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.249 -9.894 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.957 -7.384 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.414 -7.847 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.029 -6.232 -6.578 1.00 0.00 H new ATOM 55 N ILE A 4 -8.764 -9.127 -6.503 1.00 0.00 N ATOM 56 CA ILE A 4 -7.493 -9.604 -7.018 1.00 0.00 C ATOM 57 C ILE A 4 -7.714 -10.720 -8.032 1.00 0.00 C ATOM 58 O ILE A 4 -7.224 -10.658 -9.163 1.00 0.00 O ATOM 59 CB ILE A 4 -6.583 -10.116 -5.880 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.358 -9.014 -4.837 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.247 -10.605 -6.431 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.711 -7.763 -5.394 1.00 0.00 C ATOM 0 H ILE A 4 -9.106 -9.635 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.000 -8.763 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.082 -10.957 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.317 -8.748 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.733 -9.408 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.623 -10.961 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.420 -11.419 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.742 -9.785 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.586 -7.032 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.736 -8.013 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.345 -7.342 -6.175 1.00 0.00 H new ATOM 74 N SER A 5 -8.464 -11.730 -7.627 1.00 0.00 N ATOM 75 CA SER A 5 -8.719 -12.880 -8.477 1.00 0.00 C ATOM 76 C SER A 5 -10.096 -13.464 -8.180 1.00 0.00 C ATOM 77 O SER A 5 -10.913 -12.827 -7.514 1.00 0.00 O ATOM 78 CB SER A 5 -7.631 -13.936 -8.258 1.00 0.00 C ATOM 79 OG SER A 5 -7.552 -14.301 -6.892 1.00 0.00 O ATOM 0 H SER A 5 -8.909 -11.777 -6.710 1.00 0.00 H new ATOM 0 HA SER A 5 -8.700 -12.563 -9.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.846 -14.817 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.669 -13.548 -8.592 1.00 0.00 H new ATOM 0 HG SER A 5 -6.853 -14.977 -6.774 1.00 0.00 H new ATOM 85 N ASN A 6 -10.338 -14.672 -8.678 1.00 0.00 N ATOM 86 CA ASN A 6 -11.613 -15.357 -8.481 1.00 0.00 C ATOM 87 C ASN A 6 -11.941 -15.507 -7.001 1.00 0.00 C ATOM 88 O ASN A 6 -13.022 -15.125 -6.554 1.00 0.00 O ATOM 89 CB ASN A 6 -11.578 -16.750 -9.119 1.00 0.00 C ATOM 90 CG ASN A 6 -11.344 -16.719 -10.615 1.00 0.00 C ATOM 91 OD1 ASN A 6 -10.202 -16.743 -11.075 1.00 0.00 O ATOM 92 ND2 ASN A 6 -12.423 -16.683 -11.382 1.00 0.00 N ATOM 0 H ASN A 6 -9.661 -15.202 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.382 -14.748 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.791 -17.338 -8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.521 -17.258 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.327 -16.674 -12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.350 -16.664 -10.957 1.00 0.00 H new ATOM 99 N ASN A 7 -11.002 -16.051 -6.240 1.00 0.00 N ATOM 100 CA ASN A 7 -11.257 -16.388 -4.844 1.00 0.00 C ATOM 101 C ASN A 7 -10.524 -15.460 -3.889 1.00 0.00 C ATOM 102 O ASN A 7 -10.438 -15.734 -2.694 1.00 0.00 O ATOM 103 CB ASN A 7 -10.853 -17.835 -4.561 1.00 0.00 C ATOM 104 CG ASN A 7 -11.879 -18.839 -5.048 1.00 0.00 C ATOM 105 OD1 ASN A 7 -12.583 -18.606 -6.030 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.971 -19.963 -4.361 1.00 0.00 N ATOM 0 H ASN A 7 -10.059 -16.268 -6.563 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.327 -16.266 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.895 -18.040 -5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.707 -17.963 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.644 -20.677 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.369 -20.117 -3.553 1.00 0.00 H new ATOM 113 N VAL A 8 -10.007 -14.355 -4.401 1.00 0.00 N ATOM 114 CA VAL A 8 -9.340 -13.388 -3.550 1.00 0.00 C ATOM 115 C VAL A 8 -9.967 -12.015 -3.725 1.00 0.00 C ATOM 116 O VAL A 8 -9.938 -11.430 -4.810 1.00 0.00 O ATOM 117 CB VAL A 8 -7.821 -13.305 -3.831 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.160 -12.276 -2.926 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.167 -14.667 -3.654 1.00 0.00 C ATOM 0 H VAL A 8 -10.036 -14.108 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.467 -13.726 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.685 -12.989 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.092 -12.235 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.604 -11.297 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.309 -12.559 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.099 -14.587 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.318 -15.013 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.615 -15.379 -4.347 1.00 0.00 H new ATOM 129 N HIS A 9 -10.532 -11.511 -2.642 1.00 0.00 N ATOM 130 CA HIS A 9 -11.148 -10.191 -2.625 1.00 0.00 C ATOM 131 C HIS A 9 -10.690 -9.447 -1.382 1.00 0.00 C ATOM 132 O HIS A 9 -10.697 -10.009 -0.287 1.00 0.00 O ATOM 133 CB HIS A 9 -12.680 -10.298 -2.615 1.00 0.00 C ATOM 134 CG HIS A 9 -13.243 -11.184 -3.689 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.526 -10.937 -4.990 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.588 -12.497 -3.466 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -14.031 -12.097 -5.521 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -14.058 -13.022 -4.580 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.578 -12.003 -1.749 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.846 -9.654 -3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.000 -10.675 -1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.103 -9.300 -2.725 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.489 -13.017 -2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.354 -12.231 -6.543 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.387 -13.981 -4.695 1.00 0.00 H new ATOM 147 N LEU A 10 -10.289 -8.202 -1.550 1.00 0.00 N ATOM 148 CA LEU A 10 -9.813 -7.410 -0.431 1.00 0.00 C ATOM 149 C LEU A 10 -10.818 -6.324 -0.077 1.00 0.00 C ATOM 150 O LEU A 10 -11.068 -5.414 -0.872 1.00 0.00 O ATOM 151 CB LEU A 10 -8.451 -6.792 -0.755 1.00 0.00 C ATOM 152 CG LEU A 10 -7.310 -7.796 -0.909 1.00 0.00 C ATOM 153 CD1 LEU A 10 -6.021 -7.081 -1.273 1.00 0.00 C ATOM 154 CD2 LEU A 10 -7.132 -8.603 0.369 1.00 0.00 C ATOM 0 H LEU A 10 -10.283 -7.717 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.700 -8.067 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.539 -6.219 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.191 -6.087 0.034 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.562 -8.484 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.218 -7.810 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.154 -6.548 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.765 -6.371 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.315 -9.313 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.901 -7.930 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.052 -9.145 0.588 1.00 0.00 H new ATOM 166 N PRO A 11 -11.437 -6.433 1.104 1.00 0.00 N ATOM 167 CA PRO A 11 -12.357 -5.419 1.606 1.00 0.00 C ATOM 168 C PRO A 11 -11.653 -4.086 1.798 1.00 0.00 C ATOM 169 O PRO A 11 -10.497 -4.041 2.222 1.00 0.00 O ATOM 170 CB PRO A 11 -12.832 -5.975 2.953 1.00 0.00 C ATOM 171 CG PRO A 11 -12.512 -7.429 2.907 1.00 0.00 C ATOM 172 CD PRO A 11 -11.290 -7.555 2.046 1.00 0.00 C ATOM 0 HA PRO A 11 -13.178 -5.230 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.323 -5.485 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.900 -5.811 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.327 -7.820 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.343 -7.999 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.373 -7.475 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.256 -8.515 1.530 1.00 0.00 H new ATOM 180 N ASP A 12 -12.355 -3.007 1.484 1.00 0.00 N ATOM 181 CA ASP A 12 -11.813 -1.663 1.597 1.00 0.00 C ATOM 182 C ASP A 12 -11.300 -1.407 3.005 1.00 0.00 C ATOM 183 O ASP A 12 -10.260 -0.782 3.207 1.00 0.00 O ATOM 184 CB ASP A 12 -12.901 -0.645 1.268 1.00 0.00 C ATOM 185 CG ASP A 12 -13.502 -0.837 -0.112 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.843 -0.501 -1.121 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.644 -1.335 -0.195 1.00 0.00 O ATOM 0 H ASP A 12 -13.316 -3.040 1.144 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.984 -1.564 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.692 -0.714 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.483 0.359 1.339 1.00 0.00 H new ATOM 192 N ALA A 13 -12.043 -1.916 3.971 1.00 0.00 N ATOM 193 CA ALA A 13 -11.744 -1.727 5.384 1.00 0.00 C ATOM 194 C ALA A 13 -10.457 -2.424 5.830 1.00 0.00 C ATOM 195 O ALA A 13 -9.980 -2.182 6.936 1.00 0.00 O ATOM 196 CB ALA A 13 -12.913 -2.214 6.216 1.00 0.00 C ATOM 0 H ALA A 13 -12.877 -2.477 3.799 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.584 -0.660 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.690 -2.073 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.807 -1.647 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.084 -3.272 6.019 1.00 0.00 H new ATOM 202 N GLU A 14 -9.892 -3.295 4.996 1.00 0.00 N ATOM 203 CA GLU A 14 -8.630 -3.943 5.344 1.00 0.00 C ATOM 204 C GLU A 14 -7.460 -3.075 4.915 1.00 0.00 C ATOM 205 O GLU A 14 -6.299 -3.364 5.216 1.00 0.00 O ATOM 206 CB GLU A 14 -8.512 -5.334 4.712 1.00 0.00 C ATOM 207 CG GLU A 14 -9.590 -6.307 5.159 1.00 0.00 C ATOM 208 CD GLU A 14 -9.167 -7.755 5.007 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.817 -8.170 3.884 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.184 -8.486 6.019 1.00 0.00 O ATOM 0 H GLU A 14 -10.279 -3.564 4.092 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.611 -4.068 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.554 -5.234 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.535 -5.752 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.840 -6.113 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.495 -6.134 4.577 1.00 0.00 H new ATOM 217 N ILE A 15 -7.789 -1.999 4.234 1.00 0.00 N ATOM 218 CA ILE A 15 -6.803 -1.046 3.771 1.00 0.00 C ATOM 219 C ILE A 15 -6.925 0.236 4.579 1.00 0.00 C ATOM 220 O ILE A 15 -7.927 0.950 4.483 1.00 0.00 O ATOM 221 CB ILE A 15 -6.982 -0.732 2.270 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.967 -2.026 1.449 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.892 0.216 1.794 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.240 -1.816 -0.027 1.00 0.00 C ATOM 0 H ILE A 15 -8.749 -1.760 3.985 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.814 -1.484 3.907 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.947 -0.246 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.996 -2.508 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.713 -2.711 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.032 0.428 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.946 1.146 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.916 -0.246 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.213 -2.776 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.223 -1.363 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.480 -1.157 -0.447 1.00 0.00 H new ATOM 236 N GLU A 16 -5.925 0.519 5.392 1.00 0.00 N ATOM 237 CA GLU A 16 -5.957 1.693 6.240 1.00 0.00 C ATOM 238 C GLU A 16 -5.422 2.905 5.482 1.00 0.00 C ATOM 239 O GLU A 16 -4.212 3.042 5.268 1.00 0.00 O ATOM 240 CB GLU A 16 -5.153 1.452 7.519 1.00 0.00 C ATOM 241 CG GLU A 16 -5.214 2.604 8.512 1.00 0.00 C ATOM 242 CD GLU A 16 -6.610 2.837 9.054 1.00 0.00 C ATOM 243 OE1 GLU A 16 -7.414 3.502 8.368 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.904 2.369 10.170 1.00 0.00 O ATOM 0 H GLU A 16 -5.082 -0.048 5.482 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.990 1.893 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.522 0.548 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.112 1.269 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.536 2.400 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.860 3.514 8.028 1.00 0.00 H new ATOM 251 N LEU A 17 -6.338 3.766 5.059 1.00 0.00 N ATOM 252 CA LEU A 17 -5.989 4.967 4.322 1.00 0.00 C ATOM 253 C LEU A 17 -5.905 6.160 5.263 1.00 0.00 C ATOM 254 O LEU A 17 -6.916 6.614 5.801 1.00 0.00 O ATOM 255 CB LEU A 17 -7.030 5.244 3.235 1.00 0.00 C ATOM 256 CG LEU A 17 -7.154 4.168 2.157 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.326 4.469 1.236 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.867 4.058 1.356 1.00 0.00 C ATOM 0 H LEU A 17 -7.339 3.650 5.218 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.016 4.812 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.002 5.371 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.784 6.190 2.753 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.335 3.212 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.399 3.692 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.248 4.495 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.172 5.435 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.977 3.286 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.654 5.013 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.045 3.795 2.022 1.00 0.00 H new ATOM 270 N THR A 18 -4.703 6.653 5.474 1.00 0.00 N ATOM 271 CA THR A 18 -4.499 7.811 6.322 1.00 0.00 C ATOM 272 C THR A 18 -3.959 8.968 5.494 1.00 0.00 C ATOM 273 O THR A 18 -3.339 8.761 4.450 1.00 0.00 O ATOM 274 CB THR A 18 -3.520 7.493 7.466 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.797 6.189 7.996 1.00 0.00 O ATOM 276 CG2 THR A 18 -3.615 8.521 8.587 1.00 0.00 C ATOM 0 H THR A 18 -3.849 6.269 5.069 1.00 0.00 H new ATOM 0 HA THR A 18 -5.459 8.088 6.757 1.00 0.00 H new ATOM 0 HB THR A 18 -2.510 7.524 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.170 5.991 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.909 8.264 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.377 9.510 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.627 8.526 8.992 1.00 0.00 H new ATOM 284 N ALA A 19 -4.195 10.178 5.960 1.00 0.00 N ATOM 285 CA ALA A 19 -3.758 11.374 5.261 1.00 0.00 C ATOM 286 C ALA A 19 -2.882 12.227 6.167 1.00 0.00 C ATOM 287 O ALA A 19 -3.227 12.468 7.326 1.00 0.00 O ATOM 288 CB ALA A 19 -4.958 12.168 4.770 1.00 0.00 C ATOM 0 H ALA A 19 -4.693 10.362 6.831 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.167 11.076 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.614 13.061 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.547 11.554 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.574 12.459 5.621 1.00 0.00 H new ATOM 294 N ILE A 20 -1.746 12.670 5.649 1.00 0.00 N ATOM 295 CA ILE A 20 -0.809 13.457 6.433 1.00 0.00 C ATOM 296 C ILE A 20 -0.690 14.867 5.868 1.00 0.00 C ATOM 297 O ILE A 20 -0.307 15.054 4.713 1.00 0.00 O ATOM 298 CB ILE A 20 0.586 12.795 6.464 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.480 11.354 6.972 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.536 13.599 7.341 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.782 10.589 6.905 1.00 0.00 C ATOM 0 H ILE A 20 -1.452 12.497 4.688 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.194 13.508 7.451 1.00 0.00 H new ATOM 0 HB ILE A 20 0.984 12.777 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.129 11.367 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.272 10.826 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.515 13.119 7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.632 14.609 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.143 13.645 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.629 9.577 7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.125 10.544 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.532 11.093 7.514 1.00 0.00 H new ATOM 313 N ARG A 21 -1.031 15.857 6.677 1.00 0.00 N ATOM 314 CA ARG A 21 -0.894 17.245 6.265 1.00 0.00 C ATOM 315 C ARG A 21 0.507 17.763 6.577 1.00 0.00 C ATOM 316 O ARG A 21 1.253 17.140 7.335 1.00 0.00 O ATOM 317 CB ARG A 21 -1.979 18.124 6.900 1.00 0.00 C ATOM 318 CG ARG A 21 -2.241 17.850 8.371 1.00 0.00 C ATOM 319 CD ARG A 21 -3.466 18.614 8.847 1.00 0.00 C ATOM 320 NE ARG A 21 -3.893 18.205 10.185 1.00 0.00 N ATOM 321 CZ ARG A 21 -5.142 18.318 10.631 1.00 0.00 C ATOM 322 NH1 ARG A 21 -6.105 18.748 9.824 1.00 0.00 N ATOM 323 NH2 ARG A 21 -5.436 17.965 11.877 1.00 0.00 N ATOM 0 H ARG A 21 -1.403 15.727 7.618 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.034 17.295 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.693 19.170 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.908 17.985 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.389 16.781 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.372 18.141 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.247 19.682 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.284 18.458 8.144 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.193 17.810 10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.889 18.993 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.061 18.833 10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.705 17.607 12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.393 18.051 12.219 1.00 0.00 H new ATOM 494 N SER A 34 -0.766 18.899 2.843 1.00 0.00 N ATOM 495 CA SER A 34 0.112 18.076 2.037 1.00 0.00 C ATOM 496 C SER A 34 -0.705 17.005 1.330 1.00 0.00 C ATOM 497 O SER A 34 -1.811 16.670 1.756 1.00 0.00 O ATOM 498 CB SER A 34 1.193 17.424 2.904 1.00 0.00 C ATOM 499 OG SER A 34 2.174 16.767 2.118 1.00 0.00 O ATOM 0 HA SER A 34 0.604 18.707 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.671 18.184 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.731 16.707 3.583 1.00 0.00 H new ATOM 0 HG SER A 34 2.848 16.365 2.705 1.00 0.00 H new ATOM 505 N SER A 35 -0.151 16.475 0.260 1.00 0.00 N ATOM 506 CA SER A 35 -0.800 15.430 -0.508 1.00 0.00 C ATOM 507 C SER A 35 -0.268 14.065 -0.086 1.00 0.00 C ATOM 508 O SER A 35 -0.645 13.036 -0.650 1.00 0.00 O ATOM 509 CB SER A 35 -0.555 15.666 -1.999 1.00 0.00 C ATOM 510 OG SER A 35 0.821 15.908 -2.263 1.00 0.00 O ATOM 0 H SER A 35 0.760 16.755 -0.103 1.00 0.00 H new ATOM 0 HA SER A 35 -1.873 15.453 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.890 14.798 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.148 16.516 -2.337 1.00 0.00 H new ATOM 0 HG SER A 35 0.983 15.857 -3.228 1.00 0.00 H new ATOM 516 N ALA A 36 0.613 14.073 0.912 1.00 0.00 N ATOM 517 CA ALA A 36 1.237 12.858 1.407 1.00 0.00 C ATOM 518 C ALA A 36 0.219 11.966 2.101 1.00 0.00 C ATOM 519 O ALA A 36 -0.229 12.250 3.215 1.00 0.00 O ATOM 520 CB ALA A 36 2.380 13.196 2.353 1.00 0.00 C ATOM 0 H ALA A 36 0.910 14.920 1.396 1.00 0.00 H new ATOM 0 HA ALA A 36 1.639 12.312 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.837 12.275 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.127 13.788 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.996 13.767 3.198 1.00 0.00 H new ATOM 526 N MET A 37 -0.153 10.896 1.431 1.00 0.00 N ATOM 527 CA MET A 37 -1.072 9.930 1.992 1.00 0.00 C ATOM 528 C MET A 37 -0.287 8.782 2.604 1.00 0.00 C ATOM 529 O MET A 37 0.737 8.361 2.062 1.00 0.00 O ATOM 530 CB MET A 37 -2.016 9.395 0.917 1.00 0.00 C ATOM 531 CG MET A 37 -2.800 10.476 0.184 1.00 0.00 C ATOM 532 SD MET A 37 -3.955 11.355 1.254 1.00 0.00 S ATOM 533 CE MET A 37 -5.088 10.035 1.682 1.00 0.00 C ATOM 0 H MET A 37 0.170 10.673 0.490 1.00 0.00 H new ATOM 0 HA MET A 37 -1.669 10.419 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.436 8.826 0.190 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.719 8.701 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.102 11.190 -0.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.350 10.023 -0.641 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.114 10.394 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.941 9.195 1.004 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.900 9.712 2.706 1.00 0.00 H new ATOM 543 N HIS A 38 -0.758 8.280 3.726 1.00 0.00 N ATOM 544 CA HIS A 38 -0.092 7.180 4.397 1.00 0.00 C ATOM 545 C HIS A 38 -0.881 5.915 4.188 1.00 0.00 C ATOM 546 O HIS A 38 -2.026 5.796 4.622 1.00 0.00 O ATOM 547 CB HIS A 38 0.079 7.456 5.889 1.00 0.00 C ATOM 548 CG HIS A 38 0.844 6.402 6.636 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.243 5.397 7.365 1.00 0.00 N ATOM 550 CD2 HIS A 38 2.179 6.219 6.785 1.00 0.00 C ATOM 551 CE1 HIS A 38 1.174 4.649 7.928 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.359 5.125 7.594 1.00 0.00 N ATOM 0 H HIS A 38 -1.600 8.615 4.194 1.00 0.00 H new ATOM 0 HA HIS A 38 0.904 7.067 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.588 8.412 6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.907 7.560 6.341 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.763 5.254 7.455 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.959 6.824 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.996 3.790 8.558 1.00 0.00 H new ATOM 561 N LEU A 39 -0.261 4.982 3.518 1.00 0.00 N ATOM 562 CA LEU A 39 -0.909 3.729 3.192 1.00 0.00 C ATOM 563 C LEU A 39 -0.460 2.645 4.150 1.00 0.00 C ATOM 564 O LEU A 39 0.732 2.355 4.265 1.00 0.00 O ATOM 565 CB LEU A 39 -0.603 3.309 1.751 1.00 0.00 C ATOM 566 CG LEU A 39 -1.246 1.987 1.310 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.762 2.102 1.326 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.754 1.581 -0.075 1.00 0.00 C ATOM 0 H LEU A 39 0.699 5.062 3.183 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.986 3.871 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.937 4.100 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.478 3.227 1.634 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.950 1.211 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.202 1.156 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.098 2.340 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.074 2.893 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.223 0.641 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.015 2.356 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.328 1.455 -0.054 1.00 0.00 H new ATOM 580 N ARG A 40 -1.418 2.078 4.857 1.00 0.00 N ATOM 581 CA ARG A 40 -1.159 0.939 5.712 1.00 0.00 C ATOM 582 C ARG A 40 -1.967 -0.260 5.232 1.00 0.00 C ATOM 583 O ARG A 40 -3.194 -0.277 5.334 1.00 0.00 O ATOM 584 CB ARG A 40 -1.503 1.254 7.173 1.00 0.00 C ATOM 585 CG ARG A 40 -1.641 0.007 8.029 1.00 0.00 C ATOM 586 CD ARG A 40 -2.198 0.312 9.408 1.00 0.00 C ATOM 587 NE ARG A 40 -2.515 -0.920 10.134 1.00 0.00 N ATOM 588 CZ ARG A 40 -2.650 -1.011 11.455 1.00 0.00 C ATOM 589 NH1 ARG A 40 -2.598 0.076 12.217 1.00 0.00 N ATOM 590 NH2 ARG A 40 -2.854 -2.201 12.012 1.00 0.00 N ATOM 0 H ARG A 40 -2.389 2.391 4.855 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.096 0.705 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.727 1.894 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.435 1.818 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.294 -0.706 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.666 -0.470 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.473 0.896 9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.096 0.923 9.314 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.642 -1.771 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.453 0.991 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.703 -0.005 13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.906 -3.035 11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.958 -2.279 13.024 1.00 0.00 H new ATOM 604 N PHE A 41 -1.284 -1.244 4.688 1.00 0.00 N ATOM 605 CA PHE A 41 -1.940 -2.471 4.276 1.00 0.00 C ATOM 606 C PHE A 41 -1.484 -3.616 5.164 1.00 0.00 C ATOM 607 O PHE A 41 -0.335 -4.052 5.087 1.00 0.00 O ATOM 608 CB PHE A 41 -1.644 -2.783 2.808 1.00 0.00 C ATOM 609 CG PHE A 41 -2.344 -4.012 2.305 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.700 -3.981 2.013 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.649 -5.199 2.127 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.347 -5.109 1.550 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.293 -6.331 1.666 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.644 -6.286 1.377 1.00 0.00 C ATOM 0 H PHE A 41 -0.278 -1.221 4.520 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.017 -2.343 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.939 -1.930 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.569 -2.909 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.255 -3.065 2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.593 -5.239 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.402 -5.072 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.742 -7.250 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.149 -7.170 1.016 1.00 0.00 H new ATOM 624 N ASP A 42 -2.378 -4.082 6.021 1.00 0.00 N ATOM 625 CA ASP A 42 -2.057 -5.158 6.946 1.00 0.00 C ATOM 626 C ASP A 42 -1.975 -6.496 6.230 1.00 0.00 C ATOM 627 O ASP A 42 -2.987 -7.142 5.972 1.00 0.00 O ATOM 628 CB ASP A 42 -3.080 -5.234 8.084 1.00 0.00 C ATOM 629 CG ASP A 42 -2.976 -4.068 9.045 1.00 0.00 C ATOM 630 OD1 ASP A 42 -3.532 -2.996 8.738 1.00 0.00 O ATOM 631 OD2 ASP A 42 -2.338 -4.218 10.110 1.00 0.00 O ATOM 0 H ASP A 42 -3.333 -3.732 6.096 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.079 -4.935 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.085 -5.263 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.938 -6.165 8.633 1.00 0.00 H new ATOM 636 N ILE A 43 -0.757 -6.892 5.896 1.00 0.00 N ATOM 637 CA ILE A 43 -0.493 -8.206 5.329 1.00 0.00 C ATOM 638 C ILE A 43 -1.055 -9.280 6.248 1.00 0.00 C ATOM 639 O ILE A 43 -1.643 -10.267 5.805 1.00 0.00 O ATOM 640 CB ILE A 43 1.024 -8.446 5.178 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.677 -7.310 4.389 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.283 -9.785 4.507 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.187 -7.395 4.345 1.00 0.00 C ATOM 0 H ILE A 43 0.075 -6.313 6.010 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.966 -8.251 4.348 1.00 0.00 H new ATOM 0 HB ILE A 43 1.470 -8.466 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.291 -7.318 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.388 -6.357 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.357 -9.940 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.855 -10.584 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.822 -9.792 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.582 -6.558 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.583 -7.357 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.485 -8.332 3.874 1.00 0.00 H new ATOM 655 N ASN A 44 -0.883 -9.039 7.537 1.00 0.00 N ATOM 656 CA ASN A 44 -1.302 -9.948 8.581 1.00 0.00 C ATOM 657 C ASN A 44 -2.822 -10.081 8.638 1.00 0.00 C ATOM 658 O ASN A 44 -3.367 -11.174 8.507 1.00 0.00 O ATOM 659 CB ASN A 44 -0.774 -9.405 9.903 1.00 0.00 C ATOM 660 CG ASN A 44 -1.132 -10.262 11.089 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.255 -11.484 10.993 1.00 0.00 O ATOM 662 ND2 ASN A 44 -1.287 -9.621 12.229 1.00 0.00 N ATOM 0 H ASN A 44 -0.440 -8.190 7.889 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.904 -10.942 8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.311 -9.316 9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.168 -8.401 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.518 -10.138 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.176 -8.608 12.264 1.00 0.00 H new ATOM 669 N ALA A 45 -3.496 -8.954 8.817 1.00 0.00 N ATOM 670 CA ALA A 45 -4.938 -8.946 9.056 1.00 0.00 C ATOM 671 C ALA A 45 -5.761 -9.170 7.780 1.00 0.00 C ATOM 672 O ALA A 45 -6.922 -9.574 7.860 1.00 0.00 O ATOM 673 CB ALA A 45 -5.342 -7.641 9.717 1.00 0.00 C ATOM 0 H ALA A 45 -3.068 -8.028 8.802 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.156 -9.784 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.418 -7.640 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.819 -7.537 10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.080 -6.807 9.066 1.00 0.00 H new ATOM 679 N SER A 46 -5.163 -8.916 6.621 1.00 0.00 N ATOM 680 CA SER A 46 -5.881 -9.008 5.350 1.00 0.00 C ATOM 681 C SER A 46 -6.366 -10.429 5.061 1.00 0.00 C ATOM 682 O SER A 46 -5.797 -11.412 5.551 1.00 0.00 O ATOM 683 CB SER A 46 -4.991 -8.527 4.203 1.00 0.00 C ATOM 684 OG SER A 46 -3.760 -9.232 4.192 1.00 0.00 O ATOM 0 H SER A 46 -4.184 -8.645 6.533 1.00 0.00 H new ATOM 0 HA SER A 46 -6.759 -8.367 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.506 -8.670 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.803 -7.458 4.306 1.00 0.00 H new ATOM 0 HG SER A 46 -3.075 -8.701 4.650 1.00 0.00 H new ATOM 690 N SER A 47 -7.410 -10.521 4.243 1.00 0.00 N ATOM 691 CA SER A 47 -8.002 -11.797 3.854 1.00 0.00 C ATOM 692 C SER A 47 -7.136 -12.535 2.820 1.00 0.00 C ATOM 693 O SER A 47 -7.550 -13.557 2.266 1.00 0.00 O ATOM 694 CB SER A 47 -9.414 -11.555 3.294 1.00 0.00 C ATOM 695 OG SER A 47 -10.050 -12.768 2.922 1.00 0.00 O ATOM 0 H SER A 47 -7.871 -9.710 3.830 1.00 0.00 H new ATOM 0 HA SER A 47 -8.061 -12.431 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.019 -11.043 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.353 -10.896 2.428 1.00 0.00 H new ATOM 0 HG SER A 47 -9.380 -13.399 2.585 1.00 0.00 H new ATOM 701 N LEU A 48 -5.938 -12.019 2.566 1.00 0.00 N ATOM 702 CA LEU A 48 -5.008 -12.664 1.648 1.00 0.00 C ATOM 703 C LEU A 48 -4.552 -14.014 2.197 1.00 0.00 C ATOM 704 O LEU A 48 -4.273 -14.139 3.388 1.00 0.00 O ATOM 705 CB LEU A 48 -3.781 -11.778 1.413 1.00 0.00 C ATOM 706 CG LEU A 48 -4.015 -10.537 0.554 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.742 -9.713 0.464 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.485 -10.931 -0.839 1.00 0.00 C ATOM 0 H LEU A 48 -5.589 -11.156 2.983 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.529 -12.819 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.395 -11.460 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.005 -12.382 0.943 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.792 -9.934 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.922 -8.831 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.438 -9.402 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.951 -10.313 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.646 -10.033 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.728 -11.553 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.418 -11.489 -0.764 1.00 0.00 H new ATOM 720 N PRO A 49 -4.481 -15.040 1.335 1.00 0.00 N ATOM 721 CA PRO A 49 -3.987 -16.372 1.709 1.00 0.00 C ATOM 722 C PRO A 49 -2.593 -16.330 2.341 1.00 0.00 C ATOM 723 O PRO A 49 -1.799 -15.424 2.060 1.00 0.00 O ATOM 724 CB PRO A 49 -3.931 -17.133 0.379 1.00 0.00 C ATOM 725 CG PRO A 49 -4.114 -16.103 -0.690 1.00 0.00 C ATOM 726 CD PRO A 49 -4.900 -14.989 -0.070 1.00 0.00 C ATOM 0 HA PRO A 49 -4.631 -16.834 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.978 -17.650 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.713 -17.891 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.151 -15.744 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.642 -16.521 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.668 -14.027 -0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.974 -15.142 -0.178 1.00 0.00 H new ATOM 734 N PRO A 50 -2.277 -17.323 3.192 1.00 0.00 N ATOM 735 CA PRO A 50 -0.963 -17.437 3.842 1.00 0.00 C ATOM 736 C PRO A 50 0.184 -17.443 2.833 1.00 0.00 C ATOM 737 O PRO A 50 1.257 -16.911 3.098 1.00 0.00 O ATOM 738 CB PRO A 50 -1.039 -18.779 4.574 1.00 0.00 C ATOM 739 CG PRO A 50 -2.493 -19.014 4.790 1.00 0.00 C ATOM 740 CD PRO A 50 -3.187 -18.413 3.603 1.00 0.00 C ATOM 0 HA PRO A 50 -0.760 -16.591 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.593 -19.578 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.499 -18.744 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.709 -20.079 4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.830 -18.549 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.325 -19.143 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.175 -18.035 3.864 1.00 0.00 H new ATOM 748 N PHE A 51 -0.067 -18.044 1.672 1.00 0.00 N ATOM 749 CA PHE A 51 0.908 -18.089 0.587 1.00 0.00 C ATOM 750 C PHE A 51 1.394 -16.685 0.230 1.00 0.00 C ATOM 751 O PHE A 51 2.596 -16.443 0.090 1.00 0.00 O ATOM 752 CB PHE A 51 0.280 -18.745 -0.645 1.00 0.00 C ATOM 753 CG PHE A 51 1.235 -18.917 -1.793 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.131 -19.972 -1.810 1.00 0.00 C ATOM 755 CD2 PHE A 51 1.240 -18.020 -2.851 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.010 -20.132 -2.861 1.00 0.00 C ATOM 757 CE2 PHE A 51 2.119 -18.175 -3.904 1.00 0.00 C ATOM 758 CZ PHE A 51 3.007 -19.231 -3.908 1.00 0.00 C ATOM 0 H PHE A 51 -0.948 -18.511 1.458 1.00 0.00 H new ATOM 0 HA PHE A 51 1.764 -18.676 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.115 -19.721 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.566 -18.142 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.142 -20.677 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.548 -17.191 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.701 -20.962 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.112 -17.471 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.699 -19.353 -4.728 1.00 0.00 H new ATOM 768 N TYR A 52 0.452 -15.762 0.095 1.00 0.00 N ATOM 769 CA TYR A 52 0.772 -14.389 -0.250 1.00 0.00 C ATOM 770 C TYR A 52 1.446 -13.678 0.915 1.00 0.00 C ATOM 771 O TYR A 52 2.362 -12.882 0.713 1.00 0.00 O ATOM 772 CB TYR A 52 -0.487 -13.644 -0.689 1.00 0.00 C ATOM 773 CG TYR A 52 -0.798 -13.816 -2.158 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.384 -14.982 -2.638 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.501 -12.811 -3.069 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.658 -15.141 -3.983 1.00 0.00 C ATOM 777 CE2 TYR A 52 -0.771 -12.963 -4.415 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.352 -14.128 -4.865 1.00 0.00 C ATOM 779 OH TYR A 52 -1.618 -14.283 -6.206 1.00 0.00 O ATOM 0 H TYR A 52 -0.544 -15.943 0.220 1.00 0.00 H new ATOM 0 HA TYR A 52 1.474 -14.399 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.334 -13.997 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.368 -12.583 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.629 -15.776 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.051 -11.894 -2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.110 -16.054 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.528 -12.173 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.343 -13.476 -6.689 1.00 0.00 H new ATOM 789 N LYS A 53 0.996 -13.969 2.133 1.00 0.00 N ATOM 790 CA LYS A 53 1.649 -13.451 3.326 1.00 0.00 C ATOM 791 C LYS A 53 3.118 -13.873 3.375 1.00 0.00 C ATOM 792 O LYS A 53 3.992 -13.055 3.661 1.00 0.00 O ATOM 793 CB LYS A 53 0.915 -13.939 4.566 1.00 0.00 C ATOM 794 CG LYS A 53 -0.434 -13.274 4.764 1.00 0.00 C ATOM 795 CD LYS A 53 -1.323 -14.090 5.677 1.00 0.00 C ATOM 796 CE LYS A 53 -2.461 -13.262 6.236 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.207 -12.521 5.184 1.00 0.00 N ATOM 0 H LYS A 53 0.184 -14.559 2.317 1.00 0.00 H new ATOM 0 HA LYS A 53 1.615 -12.362 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.774 -15.018 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.535 -13.755 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.292 -12.279 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.923 -13.144 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.727 -14.940 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.730 -14.494 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.150 -13.915 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.065 -12.552 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.169 -12.315 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.715 -11.629 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.259 -13.100 4.322 1.00 0.00 H new ATOM 811 N GLU A 54 3.379 -15.145 3.074 1.00 0.00 N ATOM 812 CA GLU A 54 4.742 -15.668 3.056 1.00 0.00 C ATOM 813 C GLU A 54 5.625 -14.880 2.098 1.00 0.00 C ATOM 814 O GLU A 54 6.737 -14.492 2.454 1.00 0.00 O ATOM 815 CB GLU A 54 4.755 -17.146 2.663 1.00 0.00 C ATOM 816 CG GLU A 54 4.207 -18.077 3.729 1.00 0.00 C ATOM 817 CD GLU A 54 4.300 -19.532 3.321 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.257 -19.891 2.602 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.422 -20.323 3.719 1.00 0.00 O ATOM 0 H GLU A 54 2.662 -15.832 2.839 1.00 0.00 H new ATOM 0 HA GLU A 54 5.141 -15.563 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.172 -17.273 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.779 -17.440 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.757 -17.926 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.166 -17.824 3.930 1.00 0.00 H new ATOM 826 N ARG A 55 5.129 -14.653 0.886 1.00 0.00 N ATOM 827 CA ARG A 55 5.875 -13.902 -0.119 1.00 0.00 C ATOM 828 C ARG A 55 6.234 -12.506 0.376 1.00 0.00 C ATOM 829 O ARG A 55 7.384 -12.084 0.284 1.00 0.00 O ATOM 830 CB ARG A 55 5.073 -13.794 -1.415 1.00 0.00 C ATOM 831 CG ARG A 55 5.362 -14.904 -2.411 1.00 0.00 C ATOM 832 CD ARG A 55 6.840 -14.942 -2.773 1.00 0.00 C ATOM 833 NE ARG A 55 7.098 -15.691 -3.999 1.00 0.00 N ATOM 834 CZ ARG A 55 7.425 -16.983 -4.030 1.00 0.00 C ATOM 835 NH1 ARG A 55 7.433 -17.703 -2.915 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.717 -17.566 -5.186 1.00 0.00 N ATOM 0 H ARG A 55 4.213 -14.978 0.575 1.00 0.00 H new ATOM 0 HA ARG A 55 6.799 -14.447 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.010 -13.802 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.286 -12.833 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.063 -15.863 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.767 -14.753 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.208 -13.923 -2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.400 -15.391 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 55 7.023 -15.195 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.188 -17.268 -2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.684 -18.691 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.691 -17.025 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.967 -18.555 -5.210 1.00 0.00 H new ATOM 850 N LEU A 56 5.248 -11.808 0.912 1.00 0.00 N ATOM 851 CA LEU A 56 5.440 -10.447 1.390 1.00 0.00 C ATOM 852 C LEU A 56 6.409 -10.407 2.570 1.00 0.00 C ATOM 853 O LEU A 56 7.311 -9.574 2.618 1.00 0.00 O ATOM 854 CB LEU A 56 4.094 -9.844 1.785 1.00 0.00 C ATOM 855 CG LEU A 56 3.123 -9.608 0.621 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.766 -9.153 1.128 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.690 -8.579 -0.343 1.00 0.00 C ATOM 0 H LEU A 56 4.299 -12.163 1.028 1.00 0.00 H new ATOM 0 HA LEU A 56 5.875 -9.857 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.616 -10.503 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.272 -8.894 2.288 1.00 0.00 H new ATOM 0 HG LEU A 56 2.994 -10.554 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.097 -8.993 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.347 -9.917 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.879 -8.222 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.989 -8.423 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.849 -7.637 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.639 -8.937 -0.741 1.00 0.00 H new ATOM 869 N LEU A 57 6.220 -11.313 3.516 1.00 0.00 N ATOM 870 CA LEU A 57 7.069 -11.401 4.691 1.00 0.00 C ATOM 871 C LEU A 57 8.505 -11.767 4.330 1.00 0.00 C ATOM 872 O LEU A 57 9.456 -11.320 4.975 1.00 0.00 O ATOM 873 CB LEU A 57 6.500 -12.442 5.651 1.00 0.00 C ATOM 874 CG LEU A 57 5.626 -11.883 6.772 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.386 -11.201 6.217 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.246 -12.987 7.744 1.00 0.00 C ATOM 0 H LEU A 57 5.473 -12.008 3.490 1.00 0.00 H new ATOM 0 HA LEU A 57 7.087 -10.420 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.913 -13.159 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.328 -12.992 6.098 1.00 0.00 H new ATOM 0 HG LEU A 57 6.203 -11.130 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.785 -10.814 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.683 -10.379 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.799 -11.921 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.623 -12.574 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.693 -13.763 7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.149 -13.417 8.178 1.00 0.00 H new ATOM 888 N ALA A 58 8.657 -12.583 3.300 1.00 0.00 N ATOM 889 CA ALA A 58 9.971 -13.038 2.870 1.00 0.00 C ATOM 890 C ALA A 58 10.575 -12.092 1.835 1.00 0.00 C ATOM 891 O ALA A 58 11.512 -12.460 1.121 1.00 0.00 O ATOM 892 CB ALA A 58 9.882 -14.449 2.304 1.00 0.00 C ATOM 0 H ALA A 58 7.883 -12.946 2.743 1.00 0.00 H new ATOM 0 HA ALA A 58 10.625 -13.045 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.872 -14.777 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.505 -15.125 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.206 -14.456 1.449 1.00 0.00 H new ATOM 898 N LEU A 59 10.062 -10.867 1.767 1.00 0.00 N ATOM 899 CA LEU A 59 10.550 -9.900 0.813 1.00 0.00 C ATOM 900 C LEU A 59 11.839 -9.296 1.325 1.00 0.00 C ATOM 901 O LEU A 59 12.118 -9.304 2.522 1.00 0.00 O ATOM 902 CB LEU A 59 9.514 -8.803 0.576 1.00 0.00 C ATOM 903 CG LEU A 59 9.250 -8.462 -0.889 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.675 -9.664 -1.623 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.314 -7.271 -0.998 1.00 0.00 C ATOM 0 H LEU A 59 9.308 -10.529 2.365 1.00 0.00 H new ATOM 0 HA LEU A 59 10.735 -10.403 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.574 -9.108 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.842 -7.899 1.089 1.00 0.00 H new ATOM 0 HG LEU A 59 10.198 -8.197 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.494 -9.401 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.382 -10.492 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.736 -9.961 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.137 -7.042 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.367 -7.507 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.766 -6.407 -0.510 1.00 0.00 H new ATOM 917 N ASN A 60 12.623 -8.784 0.407 1.00 0.00 N ATOM 918 CA ASN A 60 13.913 -8.222 0.723 1.00 0.00 C ATOM 919 C ASN A 60 13.810 -6.711 0.855 1.00 0.00 C ATOM 920 O ASN A 60 14.814 -5.993 0.819 1.00 0.00 O ATOM 921 CB ASN A 60 14.903 -8.597 -0.371 1.00 0.00 C ATOM 922 CG ASN A 60 15.432 -10.017 -0.249 1.00 0.00 C ATOM 923 OD1 ASN A 60 14.643 -10.903 0.338 1.00 0.00 O flip ATOM 924 ND2 ASN A 60 16.542 -10.315 -0.686 1.00 0.00 N flip ATOM 0 H ASN A 60 12.383 -8.746 -0.584 1.00 0.00 H new ATOM 0 HA ASN A 60 14.262 -8.622 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.421 -8.479 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.742 -7.902 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.122 -9.605 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.883 -11.273 -0.602 1.00 0.00 H new ATOM 931 N ASP A 61 12.584 -6.233 1.005 1.00 0.00 N ATOM 932 CA ASP A 61 12.336 -4.803 1.091 1.00 0.00 C ATOM 933 C ASP A 61 12.093 -4.415 2.543 1.00 0.00 C ATOM 934 O ASP A 61 11.336 -5.075 3.257 1.00 0.00 O ATOM 935 CB ASP A 61 11.135 -4.405 0.225 1.00 0.00 C ATOM 936 CG ASP A 61 11.080 -2.911 -0.035 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.818 -2.147 0.910 1.00 0.00 O ATOM 938 OD2 ASP A 61 11.311 -2.490 -1.190 1.00 0.00 O ATOM 0 H ASP A 61 11.748 -6.813 1.070 1.00 0.00 H new ATOM 0 HA ASP A 61 13.211 -4.271 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.185 -4.935 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.215 -4.720 0.718 1.00 0.00 H new ATOM 943 N SER A 62 12.738 -3.348 2.971 1.00 0.00 N ATOM 944 CA SER A 62 12.706 -2.927 4.367 1.00 0.00 C ATOM 945 C SER A 62 11.407 -2.198 4.717 1.00 0.00 C ATOM 946 O SER A 62 11.191 -1.806 5.867 1.00 0.00 O ATOM 947 CB SER A 62 13.913 -2.040 4.659 1.00 0.00 C ATOM 948 OG SER A 62 15.113 -2.708 4.311 1.00 0.00 O ATOM 0 H SER A 62 13.299 -2.747 2.367 1.00 0.00 H new ATOM 0 HA SER A 62 12.748 -3.820 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.832 -1.109 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.930 -1.775 5.716 1.00 0.00 H new ATOM 0 HG SER A 62 15.878 -2.127 4.502 1.00 0.00 H new ATOM 954 N ARG A 63 10.544 -2.008 3.728 1.00 0.00 N ATOM 955 CA ARG A 63 9.220 -1.450 3.976 1.00 0.00 C ATOM 956 C ARG A 63 8.280 -2.546 4.462 1.00 0.00 C ATOM 957 O ARG A 63 7.139 -2.286 4.849 1.00 0.00 O ATOM 958 CB ARG A 63 8.675 -0.777 2.717 1.00 0.00 C ATOM 959 CG ARG A 63 9.434 0.484 2.338 1.00 0.00 C ATOM 960 CD ARG A 63 9.056 0.970 0.950 1.00 0.00 C ATOM 961 NE ARG A 63 9.473 0.029 -0.086 1.00 0.00 N ATOM 962 CZ ARG A 63 9.223 0.186 -1.385 1.00 0.00 C ATOM 963 NH1 ARG A 63 8.544 1.246 -1.817 1.00 0.00 N ATOM 964 NH2 ARG A 63 9.655 -0.722 -2.253 1.00 0.00 N ATOM 0 H ARG A 63 10.735 -2.230 2.751 1.00 0.00 H new ATOM 0 HA ARG A 63 9.295 -0.689 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.718 -1.483 1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.625 -0.529 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.226 1.267 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.506 0.289 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.977 1.115 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.517 1.941 0.767 1.00 0.00 H new ATOM 0 HE ARG A 63 9.989 -0.802 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.212 1.944 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.356 1.360 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.176 -1.535 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.466 -0.606 -3.249 1.00 0.00 H new ATOM 978 N ILE A 64 8.776 -3.778 4.439 1.00 0.00 N ATOM 979 CA ILE A 64 8.062 -4.905 5.011 1.00 0.00 C ATOM 980 C ILE A 64 8.365 -4.984 6.499 1.00 0.00 C ATOM 981 O ILE A 64 9.505 -5.221 6.897 1.00 0.00 O ATOM 982 CB ILE A 64 8.456 -6.241 4.343 1.00 0.00 C ATOM 983 CG1 ILE A 64 8.200 -6.187 2.835 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.702 -7.405 4.980 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.756 -5.939 2.463 1.00 0.00 C ATOM 0 H ILE A 64 9.677 -4.019 4.026 1.00 0.00 H new ATOM 0 HA ILE A 64 6.997 -4.747 4.840 1.00 0.00 H new ATOM 0 HB ILE A 64 9.523 -6.401 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.816 -5.400 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.523 -7.128 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.994 -8.337 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.943 -7.457 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.629 -7.254 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.659 -5.915 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.134 -6.739 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.432 -4.984 2.877 1.00 0.00 H new ATOM 997 N THR A 65 7.353 -4.765 7.311 1.00 0.00 N ATOM 998 CA THR A 65 7.537 -4.743 8.748 1.00 0.00 C ATOM 999 C THR A 65 7.123 -6.069 9.383 1.00 0.00 C ATOM 1000 O THR A 65 6.274 -6.785 8.845 1.00 0.00 O ATOM 1001 CB THR A 65 6.744 -3.587 9.387 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.370 -3.641 8.976 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.342 -2.244 8.993 1.00 0.00 C ATOM 0 H THR A 65 6.395 -4.600 7.002 1.00 0.00 H new ATOM 0 HA THR A 65 8.599 -4.588 8.936 1.00 0.00 H new ATOM 0 HB THR A 65 6.800 -3.694 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.304 -3.414 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.768 -1.441 9.454 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.376 -2.192 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.311 -2.136 7.909 1.00 0.00 H new ATOM 1011 N SER A 66 7.725 -6.390 10.528 1.00 0.00 N ATOM 1012 CA SER A 66 7.428 -7.632 11.245 1.00 0.00 C ATOM 1013 C SER A 66 5.988 -7.640 11.755 1.00 0.00 C ATOM 1014 O SER A 66 5.445 -8.685 12.116 1.00 0.00 O ATOM 1015 CB SER A 66 8.390 -7.791 12.419 1.00 0.00 C ATOM 1016 OG SER A 66 9.733 -7.654 11.990 1.00 0.00 O ATOM 0 H SER A 66 8.426 -5.804 10.982 1.00 0.00 H new ATOM 0 HA SER A 66 7.551 -8.465 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.169 -7.043 13.180 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.249 -8.768 12.881 1.00 0.00 H new ATOM 0 HG SER A 66 10.334 -7.757 12.757 1.00 0.00 H new ATOM 1022 N ASP A 67 5.378 -6.465 11.777 1.00 0.00 N ATOM 1023 CA ASP A 67 3.990 -6.320 12.201 1.00 0.00 C ATOM 1024 C ASP A 67 3.052 -6.892 11.146 1.00 0.00 C ATOM 1025 O ASP A 67 1.847 -7.014 11.372 1.00 0.00 O ATOM 1026 CB ASP A 67 3.656 -4.844 12.420 1.00 0.00 C ATOM 1027 CG ASP A 67 4.644 -4.144 13.329 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.658 -3.624 12.817 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.409 -4.107 14.556 1.00 0.00 O ATOM 0 H ASP A 67 5.825 -5.590 11.504 1.00 0.00 H new ATOM 0 HA ASP A 67 3.859 -6.865 13.136 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.633 -4.335 11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.656 -4.763 12.847 1.00 0.00 H new ATOM 1034 N GLY A 68 3.617 -7.232 9.991 1.00 0.00 N ATOM 1035 CA GLY A 68 2.817 -7.703 8.885 1.00 0.00 C ATOM 1036 C GLY A 68 2.038 -6.570 8.266 1.00 0.00 C ATOM 1037 O GLY A 68 0.840 -6.689 8.024 1.00 0.00 O ATOM 0 H GLY A 68 4.619 -7.188 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.461 -8.161 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.131 -8.476 9.230 1.00 0.00 H new ATOM 1041 N VAL A 69 2.719 -5.455 8.031 1.00 0.00 N ATOM 1042 CA VAL A 69 2.074 -4.259 7.513 1.00 0.00 C ATOM 1043 C VAL A 69 2.904 -3.625 6.398 1.00 0.00 C ATOM 1044 O VAL A 69 4.129 -3.503 6.511 1.00 0.00 O ATOM 1045 CB VAL A 69 1.859 -3.206 8.628 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.186 -1.958 8.081 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.050 -3.779 9.785 1.00 0.00 C ATOM 0 H VAL A 69 3.721 -5.356 8.192 1.00 0.00 H new ATOM 0 HA VAL A 69 1.107 -4.570 7.118 1.00 0.00 H new ATOM 0 HB VAL A 69 2.843 -2.929 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.048 -1.236 8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.811 -1.519 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.216 -2.222 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.917 -3.014 10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.074 -4.102 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.579 -4.631 10.212 1.00 0.00 H new ATOM 1057 N ILE A 70 2.228 -3.242 5.329 1.00 0.00 N ATOM 1058 CA ILE A 70 2.836 -2.452 4.266 1.00 0.00 C ATOM 1059 C ILE A 70 2.762 -0.980 4.639 1.00 0.00 C ATOM 1060 O ILE A 70 1.671 -0.436 4.808 1.00 0.00 O ATOM 1061 CB ILE A 70 2.112 -2.659 2.916 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.179 -4.123 2.482 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.712 -1.760 1.841 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.582 -4.599 2.171 1.00 0.00 C ATOM 0 H ILE A 70 1.246 -3.467 5.171 1.00 0.00 H new ATOM 0 HA ILE A 70 3.871 -2.776 4.154 1.00 0.00 H new ATOM 0 HB ILE A 70 1.065 -2.388 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.759 -4.747 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.554 -4.261 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.189 -1.921 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.609 -0.717 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.768 -1.999 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.553 -5.646 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.998 -4.000 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.207 -4.494 3.058 1.00 0.00 H new ATOM 1076 N VAL A 71 3.914 -0.345 4.787 1.00 0.00 N ATOM 1077 CA VAL A 71 3.951 1.049 5.188 1.00 0.00 C ATOM 1078 C VAL A 71 4.685 1.910 4.166 1.00 0.00 C ATOM 1079 O VAL A 71 5.845 1.660 3.823 1.00 0.00 O ATOM 1080 CB VAL A 71 4.590 1.222 6.587 1.00 0.00 C ATOM 1081 CG1 VAL A 71 5.942 0.529 6.669 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.726 2.696 6.940 1.00 0.00 C ATOM 0 H VAL A 71 4.829 -0.770 4.636 1.00 0.00 H new ATOM 0 HA VAL A 71 2.916 1.388 5.239 1.00 0.00 H new ATOM 0 HB VAL A 71 3.927 0.751 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.363 0.670 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.817 -0.536 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.616 0.956 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.177 2.794 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.358 3.190 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.740 3.162 6.944 1.00 0.00 H new ATOM 1092 N LEU A 72 3.983 2.914 3.666 1.00 0.00 N ATOM 1093 CA LEU A 72 4.569 3.869 2.735 1.00 0.00 C ATOM 1094 C LEU A 72 3.848 5.205 2.801 1.00 0.00 C ATOM 1095 O LEU A 72 2.844 5.359 3.510 1.00 0.00 O ATOM 1096 CB LEU A 72 4.558 3.346 1.289 1.00 0.00 C ATOM 1097 CG LEU A 72 3.181 3.066 0.675 1.00 0.00 C ATOM 1098 CD1 LEU A 72 3.280 3.009 -0.841 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.608 1.763 1.208 1.00 0.00 C ATOM 0 H LEU A 72 3.003 3.090 3.889 1.00 0.00 H new ATOM 0 HA LEU A 72 5.607 4.006 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.071 4.073 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.141 2.426 1.254 1.00 0.00 H new ATOM 0 HG LEU A 72 2.512 3.879 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.295 2.810 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.650 3.963 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.967 2.214 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.631 1.585 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.278 0.941 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.503 1.828 2.291 1.00 0.00 H new ATOM 1111 N LYS A 73 4.369 6.165 2.057 1.00 0.00 N ATOM 1112 CA LYS A 73 3.804 7.500 1.995 1.00 0.00 C ATOM 1113 C LYS A 73 3.806 7.984 0.559 1.00 0.00 C ATOM 1114 O LYS A 73 4.864 8.143 -0.055 1.00 0.00 O ATOM 1115 CB LYS A 73 4.589 8.486 2.863 1.00 0.00 C ATOM 1116 CG LYS A 73 4.573 8.162 4.349 1.00 0.00 C ATOM 1117 CD LYS A 73 5.346 9.192 5.156 1.00 0.00 C ATOM 1118 CE LYS A 73 5.229 8.933 6.648 1.00 0.00 C ATOM 1119 NZ LYS A 73 5.971 9.937 7.453 1.00 0.00 N ATOM 0 H LYS A 73 5.199 6.039 1.477 1.00 0.00 H new ATOM 0 HA LYS A 73 2.784 7.451 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.623 8.511 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.181 9.486 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.542 8.122 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.004 7.174 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.396 9.172 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.971 10.190 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.178 8.945 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.610 7.937 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.862 9.720 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.979 9.909 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.592 10.886 7.260 1.00 0.00 H new ATOM 1133 N ALA A 74 2.628 8.203 0.031 1.00 0.00 N ATOM 1134 CA ALA A 74 2.471 8.654 -1.341 1.00 0.00 C ATOM 1135 C ALA A 74 2.390 10.176 -1.399 1.00 0.00 C ATOM 1136 O ALA A 74 1.390 10.764 -0.999 1.00 0.00 O ATOM 1137 CB ALA A 74 1.238 8.025 -1.973 1.00 0.00 C ATOM 0 H ALA A 74 1.749 8.076 0.533 1.00 0.00 H new ATOM 0 HA ALA A 74 3.345 8.337 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.137 8.375 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.340 6.940 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.353 8.309 -1.404 1.00 0.00 H new ATOM 1143 N GLN A 75 3.456 10.801 -1.875 1.00 0.00 N ATOM 1144 CA GLN A 75 3.516 12.252 -1.994 1.00 0.00 C ATOM 1145 C GLN A 75 3.835 12.648 -3.435 1.00 0.00 C ATOM 1146 O GLN A 75 4.299 13.756 -3.706 1.00 0.00 O ATOM 1147 CB GLN A 75 4.585 12.793 -1.045 1.00 0.00 C ATOM 1148 CG GLN A 75 5.977 12.271 -1.345 1.00 0.00 C ATOM 1149 CD GLN A 75 6.982 12.625 -0.270 1.00 0.00 C ATOM 1150 OE1 GLN A 75 7.613 13.683 -0.313 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.159 11.731 0.689 1.00 0.00 N ATOM 0 H GLN A 75 4.300 10.321 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 75 2.549 12.679 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.593 13.881 -1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.319 12.529 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.937 11.187 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.314 12.677 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.616 10.868 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.838 11.905 1.430 1.00 0.00 H new ATOM 1160 N GLN A 76 3.548 11.732 -4.352 1.00 0.00 N ATOM 1161 CA GLN A 76 3.916 11.883 -5.758 1.00 0.00 C ATOM 1162 C GLN A 76 3.201 13.063 -6.415 1.00 0.00 C ATOM 1163 O GLN A 76 3.834 13.926 -7.027 1.00 0.00 O ATOM 1164 CB GLN A 76 3.583 10.591 -6.515 1.00 0.00 C ATOM 1165 CG GLN A 76 3.988 10.620 -7.982 1.00 0.00 C ATOM 1166 CD GLN A 76 5.491 10.693 -8.181 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.242 10.084 -7.276 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 5.971 11.277 -9.148 1.00 0.00 N flip ATOM 0 H GLN A 76 3.054 10.864 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 76 4.987 12.081 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.082 9.755 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.511 10.406 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.604 9.728 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.521 11.478 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.358 11.734 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.983 11.305 -9.276 1.00 0.00 H new ATOM 1177 N TYR A 77 1.883 13.097 -6.284 1.00 0.00 N ATOM 1178 CA TYR A 77 1.067 14.069 -6.974 1.00 0.00 C ATOM 1179 C TYR A 77 0.747 15.283 -6.108 1.00 0.00 C ATOM 1180 O TYR A 77 1.023 15.302 -4.906 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.221 13.399 -7.411 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.269 13.065 -8.883 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.753 13.984 -9.804 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.155 11.828 -9.351 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.810 13.681 -11.148 1.00 0.00 C ATOM 1186 CE2 TYR A 77 0.100 11.518 -10.695 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.386 12.449 -11.588 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.446 12.146 -12.927 1.00 0.00 O ATOM 0 H TYR A 77 1.356 12.451 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 77 1.629 14.431 -7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.355 12.483 -6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.059 14.053 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.090 14.952 -9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.534 11.097 -8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.186 14.408 -11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.435 10.553 -11.045 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.108 11.238 -13.072 1.00 0.00 H new ATOM 1198 N ARG A 78 0.155 16.284 -6.753 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.229 17.539 -6.112 1.00 0.00 C ATOM 1200 C ARG A 78 -1.425 17.358 -5.179 1.00 0.00 C ATOM 1201 O ARG A 78 -1.452 17.906 -4.078 1.00 0.00 O ATOM 1202 CB ARG A 78 -0.572 18.564 -7.197 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.217 19.837 -6.678 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.731 20.692 -7.823 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.530 21.820 -7.349 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.438 22.457 -8.090 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -3.690 22.051 -9.331 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -4.103 23.491 -7.587 1.00 0.00 N ATOM 0 H ARG A 78 -0.074 16.247 -7.746 1.00 0.00 H new ATOM 0 HA ARG A 78 0.609 17.886 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.340 18.826 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.244 18.099 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.040 19.585 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.493 20.404 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.887 21.064 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.333 20.077 -8.492 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.384 22.140 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.189 21.251 -9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.385 22.539 -9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.920 23.800 -6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.797 23.977 -8.156 1.00 0.00 H new ATOM 1222 N THR A 79 -2.411 16.600 -5.627 1.00 0.00 N ATOM 1223 CA THR A 79 -3.636 16.416 -4.869 1.00 0.00 C ATOM 1224 C THR A 79 -3.621 15.093 -4.112 1.00 0.00 C ATOM 1225 O THR A 79 -2.907 14.155 -4.485 1.00 0.00 O ATOM 1226 CB THR A 79 -4.858 16.467 -5.799 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.604 15.684 -6.971 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.183 17.899 -6.195 1.00 0.00 C ATOM 0 H THR A 79 -2.386 16.100 -6.516 1.00 0.00 H new ATOM 0 HA THR A 79 -3.703 17.228 -4.145 1.00 0.00 H new ATOM 0 HB THR A 79 -5.715 16.058 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.385 15.717 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.052 17.906 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.400 18.483 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.330 18.335 -6.715 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.416 15.024 -3.052 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.467 13.834 -2.212 1.00 0.00 C ATOM 1238 C GLN A 80 -5.138 12.679 -2.947 1.00 0.00 C ATOM 1239 O GLN A 80 -4.694 11.538 -2.856 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.205 14.127 -0.904 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.517 15.170 -0.040 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.199 15.365 1.302 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -4.787 14.591 2.291 1.00 0.00 O flip ATOM 1244 NE2 GLN A 80 -6.094 16.196 1.446 1.00 0.00 N flip ATOM 0 H GLN A 80 -5.034 15.778 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.443 13.545 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.215 14.466 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.301 13.202 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.481 14.873 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.496 16.120 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.384 16.775 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.546 16.306 2.354 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.197 12.991 -3.687 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.965 11.982 -4.418 1.00 0.00 C ATOM 1255 C GLU A 81 -6.130 11.281 -5.489 1.00 0.00 C ATOM 1256 O GLU A 81 -6.382 10.121 -5.821 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.217 12.603 -5.038 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.453 12.488 -4.155 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.211 12.948 -2.731 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.109 14.174 -2.512 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -9.116 12.083 -1.835 1.00 0.00 O ATOM 0 H GLU A 81 -6.547 13.942 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.265 11.223 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.026 13.656 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.417 12.120 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.259 13.079 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.789 11.451 -4.143 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.149 11.976 -6.040 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.262 11.360 -7.017 1.00 0.00 C ATOM 1270 C GLN A 82 -3.341 10.352 -6.342 1.00 0.00 C ATOM 1271 O GLN A 82 -3.201 9.226 -6.811 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.450 12.419 -7.756 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.249 13.198 -8.791 1.00 0.00 C ATOM 1274 CD GLN A 82 -4.698 12.336 -9.955 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -5.888 11.766 -9.850 1.00 0.00 O flip ATOM 1276 NE2 GLN A 82 -3.985 12.198 -10.949 1.00 0.00 N flip ATOM 0 H GLN A 82 -4.947 12.954 -5.833 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.875 10.832 -7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.036 13.118 -7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.607 11.937 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.123 13.639 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.642 14.022 -9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.074 12.655 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.305 11.627 -11.731 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.734 10.748 -5.226 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.887 9.840 -4.447 1.00 0.00 C ATOM 1287 C ASN A 83 -2.728 8.724 -3.838 1.00 0.00 C ATOM 1288 O ASN A 83 -2.247 7.617 -3.600 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.144 10.600 -3.344 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.054 11.500 -3.895 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.550 11.204 -4.923 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.222 12.596 -3.207 1.00 0.00 N ATOM 0 H ASN A 83 -2.811 11.689 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.150 9.401 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.856 11.201 -2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.704 9.886 -2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.957 13.227 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.300 12.810 -2.357 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.987 9.050 -3.585 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.989 8.091 -3.144 1.00 0.00 C ATOM 1301 C ARG A 84 -5.061 6.923 -4.122 1.00 0.00 C ATOM 1302 O ARG A 84 -4.941 5.762 -3.733 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.331 8.815 -3.076 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.486 8.017 -2.506 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.731 8.891 -2.438 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.903 8.180 -1.933 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.836 8.749 -1.167 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.740 10.036 -0.840 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.885 8.040 -0.750 1.00 0.00 N ATOM 0 H ARG A 84 -4.346 10.000 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.730 7.691 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.206 9.716 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.599 9.138 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.678 7.142 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.232 7.652 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.530 9.750 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.950 9.280 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.014 7.196 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.952 10.590 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.455 10.468 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.976 7.060 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.596 8.478 -0.165 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.242 7.248 -5.395 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.293 6.236 -6.449 1.00 0.00 C ATOM 1325 C ALA A 85 -3.911 5.628 -6.696 1.00 0.00 C ATOM 1326 O ALA A 85 -3.785 4.428 -6.948 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.847 6.841 -7.731 1.00 0.00 C ATOM 0 H ALA A 85 -5.356 8.206 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.957 5.436 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.880 6.078 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.853 7.219 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.205 7.660 -8.054 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.886 6.472 -6.607 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.497 6.053 -6.817 1.00 0.00 C ATOM 1335 C ASP A 86 -1.129 4.921 -5.871 1.00 0.00 C ATOM 1336 O ASP A 86 -0.683 3.857 -6.299 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.555 7.241 -6.583 1.00 0.00 C ATOM 1338 CG ASP A 86 0.911 6.887 -6.756 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.358 6.730 -7.911 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.629 6.787 -5.736 1.00 0.00 O ATOM 0 H ASP A 86 -2.991 7.463 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.395 5.700 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.813 8.042 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.712 7.628 -5.576 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.350 5.158 -4.587 1.00 0.00 N ATOM 1346 CA ALA A 87 -1.047 4.179 -3.551 1.00 0.00 C ATOM 1347 C ALA A 87 -1.781 2.863 -3.793 1.00 0.00 C ATOM 1348 O ALA A 87 -1.207 1.787 -3.640 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.398 4.745 -2.185 1.00 0.00 C ATOM 0 H ALA A 87 -1.743 6.030 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 87 0.022 3.968 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.169 4.008 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.817 5.649 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.461 4.985 -2.153 1.00 0.00 H new ATOM 1355 N LEU A 88 -3.048 2.954 -4.179 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.854 1.767 -4.439 1.00 0.00 C ATOM 1357 C LEU A 88 -3.313 0.990 -5.634 1.00 0.00 C ATOM 1358 O LEU A 88 -3.238 -0.241 -5.602 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.314 2.155 -4.681 1.00 0.00 C ATOM 1360 CG LEU A 88 -6.029 2.799 -3.487 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.450 3.180 -3.865 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -6.031 1.855 -2.294 1.00 0.00 C ATOM 0 H LEU A 88 -3.539 3.837 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.800 1.125 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.354 2.846 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.866 1.262 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.490 3.704 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.945 3.636 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.429 3.890 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.998 2.288 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.542 2.329 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.548 0.933 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.004 1.626 -2.010 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.925 1.711 -6.678 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.388 1.090 -7.881 1.00 0.00 C ATOM 1376 C LEU A 89 -1.084 0.362 -7.569 1.00 0.00 C ATOM 1377 O LEU A 89 -0.915 -0.811 -7.907 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.155 2.149 -8.961 1.00 0.00 C ATOM 1379 CG LEU A 89 -1.681 1.609 -10.312 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -2.718 0.665 -10.905 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -1.391 2.754 -11.271 1.00 0.00 C ATOM 0 H LEU A 89 -2.973 2.729 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.112 0.363 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.083 2.700 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.417 2.863 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.759 1.050 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.363 0.291 -11.865 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.878 -0.173 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.657 1.200 -11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.055 2.352 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.297 3.340 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.612 3.391 -10.852 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.179 1.055 -6.890 1.00 0.00 N ATOM 1394 CA ARG A 90 1.121 0.492 -6.541 1.00 0.00 C ATOM 1395 C ARG A 90 0.952 -0.681 -5.578 1.00 0.00 C ATOM 1396 O ARG A 90 1.746 -1.622 -5.581 1.00 0.00 O ATOM 1397 CB ARG A 90 2.006 1.581 -5.925 1.00 0.00 C ATOM 1398 CG ARG A 90 2.145 2.803 -6.822 1.00 0.00 C ATOM 1399 CD ARG A 90 2.699 4.001 -6.072 1.00 0.00 C ATOM 1400 NE ARG A 90 4.156 4.003 -5.986 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.868 5.095 -5.708 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.252 6.256 -5.503 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.192 5.033 -5.647 1.00 0.00 N ATOM 0 H ARG A 90 -0.321 2.012 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 90 1.604 0.118 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.586 1.885 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.995 1.169 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.801 2.565 -7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.172 3.057 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.370 4.915 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.282 4.015 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 90 4.653 3.127 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.235 6.311 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.797 7.092 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.669 4.147 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.733 5.871 -5.434 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.104 -0.627 -4.772 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.418 -1.702 -3.843 1.00 0.00 C ATOM 1419 C LEU A 91 -0.805 -2.966 -4.598 1.00 0.00 C ATOM 1420 O LEU A 91 -0.250 -4.039 -4.362 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.566 -1.286 -2.921 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.900 -2.272 -1.802 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.709 -2.457 -0.870 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -3.120 -1.798 -1.029 1.00 0.00 C ATOM 0 H LEU A 91 -0.758 0.155 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 91 0.470 -1.905 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.318 -0.324 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.459 -1.135 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.129 -3.239 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.970 -3.163 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.139 -2.842 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.443 -1.498 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.347 -2.510 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.917 -0.820 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.972 -1.724 -1.704 1.00 0.00 H new ATOM 1436 N SER A 92 -1.749 -2.823 -5.516 1.00 0.00 N ATOM 1437 CA SER A 92 -2.216 -3.949 -6.314 1.00 0.00 C ATOM 1438 C SER A 92 -1.084 -4.528 -7.162 1.00 0.00 C ATOM 1439 O SER A 92 -0.980 -5.744 -7.332 1.00 0.00 O ATOM 1440 CB SER A 92 -3.403 -3.530 -7.187 1.00 0.00 C ATOM 1441 OG SER A 92 -3.111 -2.380 -7.964 1.00 0.00 O ATOM 0 H SER A 92 -2.208 -1.937 -5.728 1.00 0.00 H new ATOM 0 HA SER A 92 -2.552 -4.733 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.676 -4.353 -7.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.267 -3.329 -6.553 1.00 0.00 H new ATOM 0 HG SER A 92 -2.213 -2.056 -7.744 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.229 -3.651 -7.663 1.00 0.00 N ATOM 1448 CA GLU A 93 0.932 -4.071 -8.428 1.00 0.00 C ATOM 1449 C GLU A 93 1.899 -4.873 -7.560 1.00 0.00 C ATOM 1450 O GLU A 93 2.453 -5.874 -8.006 1.00 0.00 O ATOM 1451 CB GLU A 93 1.654 -2.861 -9.017 1.00 0.00 C ATOM 1452 CG GLU A 93 0.980 -2.282 -10.247 1.00 0.00 C ATOM 1453 CD GLU A 93 1.829 -1.226 -10.920 1.00 0.00 C ATOM 1454 OE1 GLU A 93 2.956 -1.553 -11.349 1.00 0.00 O ATOM 1455 OE2 GLU A 93 1.382 -0.063 -11.020 1.00 0.00 O ATOM 0 H GLU A 93 -0.318 -2.641 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 93 0.581 -4.708 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.724 -2.085 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.673 -3.148 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.771 -3.083 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.021 -1.848 -9.964 1.00 0.00 H new ATOM 1462 N LEU A 94 2.086 -4.431 -6.323 1.00 0.00 N ATOM 1463 CA LEU A 94 2.983 -5.106 -5.390 1.00 0.00 C ATOM 1464 C LEU A 94 2.527 -6.539 -5.130 1.00 0.00 C ATOM 1465 O LEU A 94 3.347 -7.456 -5.057 1.00 0.00 O ATOM 1466 CB LEU A 94 3.052 -4.332 -4.069 1.00 0.00 C ATOM 1467 CG LEU A 94 3.991 -4.922 -3.010 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.428 -4.921 -3.505 1.00 0.00 C ATOM 1469 CD2 LEU A 94 3.873 -4.149 -1.706 1.00 0.00 C ATOM 0 H LEU A 94 1.627 -3.605 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 94 3.976 -5.139 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.368 -3.311 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.048 -4.274 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 94 3.696 -5.955 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.077 -5.344 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.501 -5.520 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.738 -3.898 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.546 -4.581 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.141 -3.106 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.847 -4.205 -1.341 1.00 0.00 H new ATOM 1481 N ILE A 95 1.219 -6.719 -5.003 1.00 0.00 N ATOM 1482 CA ILE A 95 0.635 -8.036 -4.761 1.00 0.00 C ATOM 1483 C ILE A 95 1.000 -9.010 -5.880 1.00 0.00 C ATOM 1484 O ILE A 95 1.387 -10.152 -5.627 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.904 -7.944 -4.630 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -1.280 -7.004 -3.481 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.510 -9.325 -4.410 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.768 -6.759 -3.353 1.00 0.00 C ATOM 0 H ILE A 95 0.536 -5.964 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 95 1.046 -8.409 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.307 -7.541 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.909 -7.422 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.775 -6.049 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.593 -9.237 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.267 -9.968 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.104 -9.759 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.955 -6.084 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.143 -6.311 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.279 -7.706 -3.176 1.00 0.00 H new ATOM 1500 N VAL A 96 0.900 -8.546 -7.118 1.00 0.00 N ATOM 1501 CA VAL A 96 1.243 -9.370 -8.272 1.00 0.00 C ATOM 1502 C VAL A 96 2.758 -9.507 -8.400 1.00 0.00 C ATOM 1503 O VAL A 96 3.272 -10.564 -8.764 1.00 0.00 O ATOM 1504 CB VAL A 96 0.671 -8.777 -9.576 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.964 -9.683 -10.762 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.823 -8.529 -9.441 1.00 0.00 C ATOM 0 H VAL A 96 0.585 -7.604 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 96 0.801 -10.354 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 96 1.162 -7.821 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.550 -9.241 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.042 -9.798 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.510 -10.660 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.208 -8.111 -10.371 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.330 -9.470 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.003 -7.828 -8.626 1.00 0.00 H new ATOM 1516 N ASN A 97 3.465 -8.429 -8.084 1.00 0.00 N ATOM 1517 CA ASN A 97 4.924 -8.405 -8.159 1.00 0.00 C ATOM 1518 C ASN A 97 5.539 -9.442 -7.228 1.00 0.00 C ATOM 1519 O ASN A 97 6.438 -10.186 -7.624 1.00 0.00 O ATOM 1520 CB ASN A 97 5.459 -7.014 -7.799 1.00 0.00 C ATOM 1521 CG ASN A 97 6.177 -6.344 -8.955 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.773 -7.006 -9.803 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.119 -5.021 -8.997 1.00 0.00 N ATOM 0 H ASN A 97 3.049 -7.552 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 97 5.205 -8.645 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.631 -6.383 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.142 -7.100 -6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.579 -4.514 -9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.614 -4.509 -8.273 1.00 0.00 H new ATOM 1530 N ALA A 98 5.035 -9.503 -6.001 1.00 0.00 N ATOM 1531 CA ALA A 98 5.553 -10.427 -4.997 1.00 0.00 C ATOM 1532 C ALA A 98 5.268 -11.878 -5.369 1.00 0.00 C ATOM 1533 O ALA A 98 5.883 -12.797 -4.831 1.00 0.00 O ATOM 1534 CB ALA A 98 4.959 -10.102 -3.638 1.00 0.00 C ATOM 0 H ALA A 98 4.264 -8.920 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 98 6.635 -10.306 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.351 -10.796 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.225 -9.083 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.874 -10.194 -3.684 1.00 0.00 H new ATOM 1540 N ALA A 99 4.338 -12.084 -6.290 1.00 0.00 N ATOM 1541 CA ALA A 99 4.009 -13.425 -6.743 1.00 0.00 C ATOM 1542 C ALA A 99 5.019 -13.902 -7.781 1.00 0.00 C ATOM 1543 O ALA A 99 5.310 -15.094 -7.876 1.00 0.00 O ATOM 1544 CB ALA A 99 2.596 -13.465 -7.312 1.00 0.00 C ATOM 0 H ALA A 99 3.800 -11.341 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 99 4.053 -14.098 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.367 -14.477 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.885 -13.168 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.524 -12.779 -8.156 1.00 0.00 H new ATOM 1550 N LYS A 100 5.572 -12.958 -8.537 1.00 0.00 N ATOM 1551 CA LYS A 100 6.521 -13.290 -9.595 1.00 0.00 C ATOM 1552 C LYS A 100 7.948 -13.256 -9.072 1.00 0.00 C ATOM 1553 O LYS A 100 8.841 -13.922 -9.602 1.00 0.00 O ATOM 1554 CB LYS A 100 6.396 -12.305 -10.757 1.00 0.00 C ATOM 1555 CG LYS A 100 4.982 -12.141 -11.291 1.00 0.00 C ATOM 1556 CD LYS A 100 4.940 -11.176 -12.467 1.00 0.00 C ATOM 1557 CE LYS A 100 5.516 -9.812 -12.110 1.00 0.00 C ATOM 1558 NZ LYS A 100 5.486 -8.874 -13.263 1.00 0.00 N ATOM 0 H LYS A 100 5.380 -11.961 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 100 6.288 -14.297 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.765 -11.332 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.042 -12.637 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.594 -13.111 -11.601 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.331 -11.776 -10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.500 -11.598 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.909 -11.058 -12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.951 -9.386 -11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.544 -9.931 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.887 -7.958 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.047 -9.268 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.503 -8.739 -13.575 1.00 0.00 H new ATOM 1572 N LEU A 101 8.152 -12.472 -8.034 1.00 0.00 N ATOM 1573 CA LEU A 101 9.468 -12.256 -7.478 1.00 0.00 C ATOM 1574 C LEU A 101 9.574 -12.822 -6.068 1.00 0.00 C ATOM 1575 O LEU A 101 8.659 -13.482 -5.577 1.00 0.00 O ATOM 1576 CB LEU A 101 9.766 -10.758 -7.462 1.00 0.00 C ATOM 1577 CG LEU A 101 9.898 -10.100 -8.838 1.00 0.00 C ATOM 1578 CD1 LEU A 101 10.126 -8.603 -8.690 1.00 0.00 C ATOM 1579 CD2 LEU A 101 11.033 -10.735 -9.626 1.00 0.00 C ATOM 0 H LEU A 101 7.408 -11.967 -7.553 1.00 0.00 H new ATOM 0 HA LEU A 101 10.197 -12.775 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.973 -10.253 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.691 -10.595 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 101 8.969 -10.257 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.218 -8.150 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.283 -8.157 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.041 -8.429 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.112 -10.255 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.969 -10.608 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.833 -11.798 -9.760 1.00 0.00 H new