USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 863 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 62 SER OG : rot 110:sc= 0.414 USER MOD Set 1.2: A 106 HIS : no HE2:sc= 1.36 K(o=1.8,f=-4.7!) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.328 X(o=-0.41,f=0.0099) USER MOD Set 2.2: A 103 HIS : no HD1:sc= -0.0809 X(o=-0.41,f=0.0099) USER MOD Set 3.1: A 79 THR OG1 : rot -139:sc= 0.935 USER MOD Set 3.2: A 82 GLN : amide:sc= 1.8 K(o=2.7,f=-1.7) USER MOD Set 4.1: A 18 THR OG1 : rot 136:sc= 1.3 USER MOD Set 4.2: A 38 HIS : no HD1:sc= 1.03 K(o=2.3,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -145:sc= -0.101 (180deg=-0.507) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.14 (180deg=0.881) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0606 F(o=-1.4!,f=-0.061) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.031 F(o=-1,f=0.031) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.168 (180deg=-0.721) USER MOD Single : A 34 SER OG : rot 180:sc= 0.114 USER MOD Single : A 35 SER OG : rot -155:sc= 1.33 USER MOD Single : A 37 MET CE :methyl -163:sc= -0.676 (180deg=-1.31) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 46 SER OG : rot 170:sc= -0.0186 USER MOD Single : A 47 SER OG : rot 89:sc= 0.899 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.96 (180deg=1.84) USER MOD Single : A 65 THR OG1 : rot 76:sc= 0.409 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 K(o=0,f=-0.68) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.021 F(o=-1.6!,f=-0.021) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.218 K(o=-0.22,f=-9.5!) USER MOD Single : A 92 SER OG : rot -2:sc= 1.05 USER MOD Single : A 97 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.29) USER MOD Single : A 100 LYS NZ :NH3+ -127:sc= -0.72! (180deg=-1.67!) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -0.0124 F(o=-0.75,f=-0.012) USER MOD Single : A 105 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.580 -2.462 -3.253 1.00 0.00 N ATOM 2 CA MET A 1 -12.954 -3.780 -3.019 1.00 0.00 C ATOM 3 C MET A 1 -12.035 -4.147 -4.179 1.00 0.00 C ATOM 4 O MET A 1 -12.417 -4.048 -5.343 1.00 0.00 O ATOM 5 CB MET A 1 -14.029 -4.862 -2.852 1.00 0.00 C ATOM 6 CG MET A 1 -13.461 -6.252 -2.614 1.00 0.00 C ATOM 7 SD MET A 1 -14.732 -7.532 -2.572 1.00 0.00 S ATOM 8 CE MET A 1 -15.761 -6.954 -1.223 1.00 0.00 C ATOM 0 H1 MET A 1 -14.122 -2.181 -2.411 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.841 -1.755 -3.441 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.219 -2.521 -4.072 1.00 0.00 H new ATOM 0 HA MET A 1 -12.365 -3.719 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.675 -4.595 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.654 -4.882 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.743 -6.485 -3.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.914 -6.259 -1.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.154 -7.809 -0.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.167 -6.333 -0.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.589 -6.368 -1.622 1.00 0.00 H new ATOM 20 N LEU A 2 -10.829 -4.581 -3.842 1.00 0.00 N ATOM 21 CA LEU A 2 -9.836 -4.950 -4.833 1.00 0.00 C ATOM 22 C LEU A 2 -10.012 -6.407 -5.225 1.00 0.00 C ATOM 23 O LEU A 2 -9.646 -7.317 -4.475 1.00 0.00 O ATOM 24 CB LEU A 2 -8.415 -4.720 -4.306 1.00 0.00 C ATOM 25 CG LEU A 2 -7.975 -3.256 -4.178 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.719 -2.545 -3.058 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.473 -3.173 -3.953 1.00 0.00 C ATOM 0 H LEU A 2 -10.515 -4.686 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.980 -4.318 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.331 -5.191 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.716 -5.232 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.222 -2.752 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.382 -1.510 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.790 -2.566 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.520 -3.048 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.176 -2.128 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.212 -3.704 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.953 -3.628 -4.796 1.00 0.00 H new ATOM 39 N VAL A 3 -10.614 -6.616 -6.378 1.00 0.00 N ATOM 40 CA VAL A 3 -10.797 -7.955 -6.918 1.00 0.00 C ATOM 41 C VAL A 3 -9.491 -8.477 -7.505 1.00 0.00 C ATOM 42 O VAL A 3 -9.008 -7.972 -8.520 1.00 0.00 O ATOM 43 CB VAL A 3 -11.891 -7.985 -8.007 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.111 -9.402 -8.517 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.191 -7.402 -7.473 1.00 0.00 C ATOM 0 H VAL A 3 -10.989 -5.872 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.111 -8.595 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.554 -7.372 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.886 -9.397 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.183 -9.784 -8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.422 -10.042 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.951 -7.431 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.528 -7.987 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.027 -6.369 -7.165 1.00 0.00 H new ATOM 55 N ILE A 4 -8.908 -9.469 -6.848 1.00 0.00 N ATOM 56 CA ILE A 4 -7.674 -10.077 -7.324 1.00 0.00 C ATOM 57 C ILE A 4 -7.982 -11.407 -8.003 1.00 0.00 C ATOM 58 O ILE A 4 -7.434 -11.729 -9.057 1.00 0.00 O ATOM 59 CB ILE A 4 -6.674 -10.309 -6.168 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.384 -8.989 -5.446 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.380 -10.927 -6.688 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.469 -9.128 -4.247 1.00 0.00 C ATOM 0 H ILE A 4 -9.270 -9.870 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.217 -9.391 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.123 -11.005 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.935 -8.291 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.327 -8.550 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.691 -11.081 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.598 -11.884 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.924 -10.257 -7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.314 -8.150 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.924 -9.799 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.510 -9.536 -4.566 1.00 0.00 H new ATOM 74 N SER A 5 -8.868 -12.175 -7.389 1.00 0.00 N ATOM 75 CA SER A 5 -9.279 -13.460 -7.926 1.00 0.00 C ATOM 76 C SER A 5 -10.721 -13.750 -7.518 1.00 0.00 C ATOM 77 O SER A 5 -11.369 -12.913 -6.889 1.00 0.00 O ATOM 78 CB SER A 5 -8.346 -14.565 -7.427 1.00 0.00 C ATOM 79 OG SER A 5 -7.000 -14.292 -7.776 1.00 0.00 O ATOM 0 H SER A 5 -9.320 -11.926 -6.509 1.00 0.00 H new ATOM 0 HA SER A 5 -9.220 -13.429 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.433 -14.657 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.649 -15.521 -7.854 1.00 0.00 H new ATOM 0 HG SER A 5 -6.424 -15.012 -7.444 1.00 0.00 H new ATOM 85 N ASN A 6 -11.211 -14.937 -7.857 1.00 0.00 N ATOM 86 CA ASN A 6 -12.588 -15.315 -7.544 1.00 0.00 C ATOM 87 C ASN A 6 -12.773 -15.482 -6.045 1.00 0.00 C ATOM 88 O ASN A 6 -13.819 -15.142 -5.496 1.00 0.00 O ATOM 89 CB ASN A 6 -12.966 -16.613 -8.263 1.00 0.00 C ATOM 90 CG ASN A 6 -12.956 -16.472 -9.772 1.00 0.00 C ATOM 91 OD1 ASN A 6 -11.926 -16.672 -10.425 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.102 -16.130 -10.342 1.00 0.00 N ATOM 0 H ASN A 6 -10.678 -15.655 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 6 -13.243 -14.516 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.271 -17.400 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.958 -16.927 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.156 -16.023 -11.355 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.930 -15.974 -9.768 1.00 0.00 H new ATOM 99 N ASN A 7 -11.752 -16.009 -5.382 1.00 0.00 N ATOM 100 CA ASN A 7 -11.806 -16.204 -3.939 1.00 0.00 C ATOM 101 C ASN A 7 -10.824 -15.289 -3.223 1.00 0.00 C ATOM 102 O ASN A 7 -10.610 -15.409 -2.019 1.00 0.00 O ATOM 103 CB ASN A 7 -11.513 -17.664 -3.575 1.00 0.00 C ATOM 104 CG ASN A 7 -12.619 -18.612 -4.004 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.853 -18.139 -3.974 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -12.364 -19.768 -4.337 1.00 0.00 N flip ATOM 0 H ASN A 7 -10.880 -16.308 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.815 -15.953 -3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.577 -17.969 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.371 -17.743 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.398 -20.095 -4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.119 -20.400 -4.603 1.00 0.00 H new ATOM 113 N VAL A 8 -10.249 -14.350 -3.959 1.00 0.00 N ATOM 114 CA VAL A 8 -9.290 -13.428 -3.380 1.00 0.00 C ATOM 115 C VAL A 8 -9.731 -11.995 -3.633 1.00 0.00 C ATOM 116 O VAL A 8 -9.823 -11.547 -4.779 1.00 0.00 O ATOM 117 CB VAL A 8 -7.867 -13.635 -3.950 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.869 -12.707 -3.269 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.432 -15.088 -3.802 1.00 0.00 C ATOM 0 H VAL A 8 -10.430 -14.208 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.254 -13.627 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.891 -13.390 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.876 -12.871 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.165 -11.671 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.851 -12.914 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.428 -15.211 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.431 -15.362 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.125 -15.732 -4.344 1.00 0.00 H new ATOM 129 N HIS A 9 -9.989 -11.285 -2.552 1.00 0.00 N ATOM 130 CA HIS A 9 -10.448 -9.907 -2.619 1.00 0.00 C ATOM 131 C HIS A 9 -9.842 -9.108 -1.480 1.00 0.00 C ATOM 132 O HIS A 9 -9.654 -9.632 -0.387 1.00 0.00 O ATOM 133 CB HIS A 9 -11.976 -9.829 -2.509 1.00 0.00 C ATOM 134 CG HIS A 9 -12.720 -10.547 -3.594 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.071 -10.145 -4.833 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.208 -11.828 -3.455 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.761 -11.176 -5.418 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -13.829 -12.179 -4.565 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.887 -11.644 -1.603 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.137 -9.497 -3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.279 -10.241 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.274 -8.781 -2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.099 -12.447 -2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.180 -11.168 -6.414 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.285 -13.076 -4.735 1.00 0.00 H new ATOM 147 N LEU A 10 -9.530 -7.850 -1.736 1.00 0.00 N ATOM 148 CA LEU A 10 -9.087 -6.962 -0.676 1.00 0.00 C ATOM 149 C LEU A 10 -10.196 -5.989 -0.311 1.00 0.00 C ATOM 150 O LEU A 10 -10.565 -5.125 -1.110 1.00 0.00 O ATOM 151 CB LEU A 10 -7.822 -6.203 -1.078 1.00 0.00 C ATOM 152 CG LEU A 10 -6.540 -7.033 -1.057 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.341 -6.177 -1.428 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.339 -7.661 0.312 1.00 0.00 C ATOM 0 H LEU A 10 -9.575 -7.423 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.847 -7.570 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.961 -5.801 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.698 -5.352 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.634 -7.829 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.438 -6.787 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.481 -5.770 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.243 -5.359 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.421 -8.249 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.266 -6.876 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.185 -8.308 0.543 1.00 0.00 H new ATOM 166 N PRO A 11 -10.765 -6.147 0.891 1.00 0.00 N ATOM 167 CA PRO A 11 -11.810 -5.264 1.395 1.00 0.00 C ATOM 168 C PRO A 11 -11.286 -3.861 1.661 1.00 0.00 C ATOM 169 O PRO A 11 -10.180 -3.685 2.174 1.00 0.00 O ATOM 170 CB PRO A 11 -12.261 -5.923 2.707 1.00 0.00 C ATOM 171 CG PRO A 11 -11.689 -7.300 2.674 1.00 0.00 C ATOM 172 CD PRO A 11 -10.439 -7.205 1.852 1.00 0.00 C ATOM 0 HA PRO A 11 -12.619 -5.146 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.898 -5.367 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.348 -5.951 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.469 -7.656 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.394 -8.005 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.573 -6.946 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.209 -8.147 1.354 1.00 0.00 H new ATOM 180 N ASP A 12 -12.091 -2.876 1.305 1.00 0.00 N ATOM 181 CA ASP A 12 -11.747 -1.474 1.480 1.00 0.00 C ATOM 182 C ASP A 12 -11.405 -1.169 2.930 1.00 0.00 C ATOM 183 O ASP A 12 -10.470 -0.425 3.222 1.00 0.00 O ATOM 184 CB ASP A 12 -12.932 -0.619 1.052 1.00 0.00 C ATOM 185 CG ASP A 12 -13.343 -0.866 -0.385 1.00 0.00 C ATOM 186 OD1 ASP A 12 -14.044 -1.870 -0.645 1.00 0.00 O ATOM 187 OD2 ASP A 12 -12.979 -0.061 -1.264 1.00 0.00 O ATOM 0 H ASP A 12 -13.008 -3.026 0.884 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.873 -1.250 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.778 -0.824 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.679 0.434 1.177 1.00 0.00 H new ATOM 192 N ALA A 13 -12.176 -1.758 3.827 1.00 0.00 N ATOM 193 CA ALA A 13 -12.029 -1.538 5.262 1.00 0.00 C ATOM 194 C ALA A 13 -10.662 -1.967 5.794 1.00 0.00 C ATOM 195 O ALA A 13 -10.227 -1.490 6.841 1.00 0.00 O ATOM 196 CB ALA A 13 -13.123 -2.274 6.014 1.00 0.00 C ATOM 0 H ALA A 13 -12.926 -2.405 3.584 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.115 -0.464 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.006 -2.105 7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.097 -1.905 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.053 -3.342 5.806 1.00 0.00 H new ATOM 202 N GLU A 14 -9.980 -2.869 5.090 1.00 0.00 N ATOM 203 CA GLU A 14 -8.686 -3.358 5.558 1.00 0.00 C ATOM 204 C GLU A 14 -7.559 -2.441 5.101 1.00 0.00 C ATOM 205 O GLU A 14 -6.390 -2.662 5.424 1.00 0.00 O ATOM 206 CB GLU A 14 -8.430 -4.789 5.082 1.00 0.00 C ATOM 207 CG GLU A 14 -9.464 -5.788 5.576 1.00 0.00 C ATOM 208 CD GLU A 14 -8.980 -7.223 5.484 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.648 -7.681 4.369 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.931 -7.900 6.532 1.00 0.00 O ATOM 0 H GLU A 14 -10.296 -3.270 4.207 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.711 -3.360 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.415 -4.803 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.442 -5.104 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.718 -5.560 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.378 -5.679 4.992 1.00 0.00 H new ATOM 217 N ILE A 15 -7.921 -1.410 4.368 1.00 0.00 N ATOM 218 CA ILE A 15 -6.956 -0.438 3.887 1.00 0.00 C ATOM 219 C ILE A 15 -7.112 0.873 4.645 1.00 0.00 C ATOM 220 O ILE A 15 -8.072 1.616 4.434 1.00 0.00 O ATOM 221 CB ILE A 15 -7.117 -0.180 2.373 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.069 -1.501 1.600 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.029 0.768 1.880 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.284 -1.343 0.111 1.00 0.00 C ATOM 0 H ILE A 15 -8.884 -1.220 4.089 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.961 -0.848 4.060 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.087 0.286 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.103 -1.976 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.829 -2.173 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.154 0.941 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.104 1.716 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.050 0.325 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.236 -2.320 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.262 -0.897 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.509 -0.698 -0.302 1.00 0.00 H new ATOM 236 N GLU A 16 -6.182 1.144 5.545 1.00 0.00 N ATOM 237 CA GLU A 16 -6.213 2.369 6.324 1.00 0.00 C ATOM 238 C GLU A 16 -5.468 3.473 5.587 1.00 0.00 C ATOM 239 O GLU A 16 -4.241 3.450 5.473 1.00 0.00 O ATOM 240 CB GLU A 16 -5.599 2.134 7.706 1.00 0.00 C ATOM 241 CG GLU A 16 -5.575 3.367 8.593 1.00 0.00 C ATOM 242 CD GLU A 16 -6.961 3.874 8.923 1.00 0.00 C ATOM 243 OE1 GLU A 16 -7.603 3.304 9.831 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.415 4.837 8.276 1.00 0.00 O ATOM 0 H GLU A 16 -5.395 0.530 5.754 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.250 2.678 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.159 1.347 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.579 1.770 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.048 3.134 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.012 4.157 8.095 1.00 0.00 H new ATOM 251 N LEU A 17 -6.219 4.426 5.067 1.00 0.00 N ATOM 252 CA LEU A 17 -5.646 5.543 4.346 1.00 0.00 C ATOM 253 C LEU A 17 -5.811 6.821 5.150 1.00 0.00 C ATOM 254 O LEU A 17 -6.927 7.306 5.338 1.00 0.00 O ATOM 255 CB LEU A 17 -6.312 5.695 2.979 1.00 0.00 C ATOM 256 CG LEU A 17 -6.063 4.547 2.001 1.00 0.00 C ATOM 257 CD1 LEU A 17 -6.825 4.778 0.708 1.00 0.00 C ATOM 258 CD2 LEU A 17 -4.576 4.398 1.723 1.00 0.00 C ATOM 0 H LEU A 17 -7.237 4.446 5.133 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.583 5.352 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.387 5.799 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.962 6.621 2.523 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.423 3.623 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.637 3.952 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.892 4.838 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.493 5.711 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.417 3.576 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.193 5.322 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.051 4.189 2.655 1.00 0.00 H new ATOM 270 N THR A 18 -4.705 7.360 5.628 1.00 0.00 N ATOM 271 CA THR A 18 -4.742 8.582 6.411 1.00 0.00 C ATOM 272 C THR A 18 -4.367 9.775 5.540 1.00 0.00 C ATOM 273 O THR A 18 -3.498 9.675 4.676 1.00 0.00 O ATOM 274 CB THR A 18 -3.773 8.508 7.603 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.354 7.147 7.808 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.426 9.034 8.874 1.00 0.00 C ATOM 0 H THR A 18 -3.772 6.972 5.489 1.00 0.00 H new ATOM 0 HA THR A 18 -5.757 8.702 6.789 1.00 0.00 H new ATOM 0 HB THR A 18 -2.908 9.131 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.387 7.123 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.718 8.970 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.720 10.073 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.308 8.436 9.104 1.00 0.00 H new ATOM 284 N ALA A 19 -5.031 10.889 5.762 1.00 0.00 N ATOM 285 CA ALA A 19 -4.770 12.105 5.010 1.00 0.00 C ATOM 286 C ALA A 19 -3.981 13.087 5.859 1.00 0.00 C ATOM 287 O ALA A 19 -4.334 13.347 7.013 1.00 0.00 O ATOM 288 CB ALA A 19 -6.075 12.731 4.541 1.00 0.00 C ATOM 0 H ALA A 19 -5.764 10.981 6.465 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.177 11.852 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.861 13.641 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.607 12.027 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.693 12.975 5.405 1.00 0.00 H new ATOM 294 N ILE A 20 -2.910 13.621 5.295 1.00 0.00 N ATOM 295 CA ILE A 20 -2.043 14.530 6.019 1.00 0.00 C ATOM 296 C ILE A 20 -2.230 15.961 5.527 1.00 0.00 C ATOM 297 O ILE A 20 -2.202 16.231 4.322 1.00 0.00 O ATOM 298 CB ILE A 20 -0.558 14.125 5.870 1.00 0.00 C ATOM 299 CG1 ILE A 20 -0.369 12.653 6.244 1.00 0.00 C ATOM 300 CG2 ILE A 20 0.327 15.013 6.738 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.034 12.137 5.995 1.00 0.00 C ATOM 0 H ILE A 20 -2.621 13.438 4.334 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.318 14.473 7.072 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.265 14.259 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.614 12.521 7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.075 12.049 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.369 14.714 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.211 16.053 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.035 14.908 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.092 11.087 6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.276 12.236 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.745 12.715 6.585 1.00 0.00 H new ATOM 313 N ARG A 21 -2.454 16.864 6.467 1.00 0.00 N ATOM 314 CA ARG A 21 -2.542 18.290 6.171 1.00 0.00 C ATOM 315 C ARG A 21 -1.214 18.838 5.668 1.00 0.00 C ATOM 316 O ARG A 21 -0.182 18.171 5.741 1.00 0.00 O ATOM 317 CB ARG A 21 -2.937 19.068 7.424 1.00 0.00 C ATOM 318 CG ARG A 21 -4.420 19.056 7.738 1.00 0.00 C ATOM 319 CD ARG A 21 -4.705 19.863 8.993 1.00 0.00 C ATOM 320 NE ARG A 21 -4.073 21.184 8.954 1.00 0.00 N ATOM 321 CZ ARG A 21 -3.551 21.796 10.023 1.00 0.00 C ATOM 322 NH1 ARG A 21 -3.591 21.209 11.213 1.00 0.00 N ATOM 323 NH2 ARG A 21 -2.977 22.988 9.901 1.00 0.00 N ATOM 0 H ARG A 21 -2.580 16.634 7.453 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.297 18.411 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.396 18.656 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.612 20.102 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.979 19.469 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.761 18.030 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.782 19.980 9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.346 19.316 9.865 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.028 21.667 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.020 20.289 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.192 21.678 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.933 23.442 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.581 23.449 10.720 1.00 0.00 H new ATOM 337 N ALA A 22 -1.249 20.060 5.162 1.00 0.00 N ATOM 338 CA ALA A 22 -0.032 20.774 4.828 1.00 0.00 C ATOM 339 C ALA A 22 0.673 21.159 6.118 1.00 0.00 C ATOM 340 O ALA A 22 0.047 21.703 7.030 1.00 0.00 O ATOM 341 CB ALA A 22 -0.339 22.006 3.988 1.00 0.00 C ATOM 0 H ALA A 22 -2.108 20.577 4.974 1.00 0.00 H new ATOM 0 HA ALA A 22 0.618 20.132 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.590 22.525 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.832 21.703 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.995 22.674 4.547 1.00 0.00 H new ATOM 347 N GLN A 23 1.958 20.849 6.207 1.00 0.00 N ATOM 348 CA GLN A 23 2.695 21.046 7.443 1.00 0.00 C ATOM 349 C GLN A 23 2.828 22.513 7.810 1.00 0.00 C ATOM 350 O GLN A 23 3.548 23.278 7.170 1.00 0.00 O ATOM 351 CB GLN A 23 4.070 20.385 7.378 1.00 0.00 C ATOM 352 CG GLN A 23 4.783 20.556 6.049 1.00 0.00 C ATOM 353 CD GLN A 23 6.204 20.038 6.087 1.00 0.00 C ATOM 354 OE1 GLN A 23 6.461 18.865 5.821 1.00 0.00 O ATOM 355 NE2 GLN A 23 7.140 20.915 6.416 1.00 0.00 N ATOM 0 H GLN A 23 2.509 20.462 5.441 1.00 0.00 H new ATOM 0 HA GLN A 23 2.114 20.565 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.696 20.798 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.958 19.320 7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.228 20.031 5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.791 21.611 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.883 21.879 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.118 20.627 6.456 1.00 0.00 H new ATOM 364 N GLY A 24 2.116 22.877 8.855 1.00 0.00 N ATOM 365 CA GLY A 24 2.215 24.206 9.415 1.00 0.00 C ATOM 366 C GLY A 24 2.887 24.150 10.765 1.00 0.00 C ATOM 367 O GLY A 24 2.340 24.598 11.774 1.00 0.00 O ATOM 0 H GLY A 24 1.457 22.265 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.783 24.851 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.221 24.643 9.512 1.00 0.00 H new ATOM 371 N ALA A 25 4.067 23.559 10.772 1.00 0.00 N ATOM 372 CA ALA A 25 4.797 23.306 11.999 1.00 0.00 C ATOM 373 C ALA A 25 5.616 24.520 12.417 1.00 0.00 C ATOM 374 O ALA A 25 6.389 25.067 11.627 1.00 0.00 O ATOM 375 CB ALA A 25 5.694 22.097 11.822 1.00 0.00 C ATOM 0 H ALA A 25 4.545 23.242 9.929 1.00 0.00 H new ATOM 0 HA ALA A 25 4.076 23.106 12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.240 21.911 12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.086 21.226 11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.401 22.284 11.014 1.00 0.00 H new ATOM 381 N GLY A 26 5.438 24.936 13.662 1.00 0.00 N ATOM 382 CA GLY A 26 6.157 26.081 14.176 1.00 0.00 C ATOM 383 C GLY A 26 5.483 27.383 13.812 1.00 0.00 C ATOM 384 O GLY A 26 4.937 28.070 14.673 1.00 0.00 O ATOM 0 H GLY A 26 4.803 24.497 14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.234 26.004 15.261 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.174 26.077 13.783 1.00 0.00 H new ATOM 388 N GLY A 27 5.505 27.707 12.533 1.00 0.00 N ATOM 389 CA GLY A 27 4.887 28.924 12.059 1.00 0.00 C ATOM 390 C GLY A 27 4.106 28.691 10.788 1.00 0.00 C ATOM 391 O GLY A 27 3.897 27.544 10.398 1.00 0.00 O ATOM 0 H GLY A 27 5.945 27.142 11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.223 29.319 12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.654 29.678 11.882 1.00 0.00 H new ATOM 395 N GLN A 28 3.697 29.781 10.141 1.00 0.00 N ATOM 396 CA GLN A 28 2.909 29.716 8.909 1.00 0.00 C ATOM 397 C GLN A 28 1.523 29.135 9.180 1.00 0.00 C ATOM 398 O GLN A 28 1.338 27.925 9.293 1.00 0.00 O ATOM 399 CB GLN A 28 3.639 28.907 7.836 1.00 0.00 C ATOM 400 CG GLN A 28 2.900 28.812 6.509 1.00 0.00 C ATOM 401 CD GLN A 28 3.684 28.032 5.470 1.00 0.00 C ATOM 402 OE1 GLN A 28 4.458 27.133 5.798 1.00 0.00 O ATOM 403 NE2 GLN A 28 3.492 28.373 4.205 1.00 0.00 N ATOM 0 H GLN A 28 3.901 30.730 10.453 1.00 0.00 H new ATOM 0 HA GLN A 28 2.782 30.732 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.617 29.356 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.814 27.900 8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.934 28.333 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.701 29.816 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.842 29.124 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.994 27.885 3.463 1.00 0.00 H new ATOM 412 N ASN A 29 0.553 30.021 9.288 1.00 0.00 N ATOM 413 CA ASN A 29 -0.814 29.628 9.610 1.00 0.00 C ATOM 414 C ASN A 29 -1.529 29.145 8.361 1.00 0.00 C ATOM 415 O ASN A 29 -2.092 29.940 7.607 1.00 0.00 O ATOM 416 CB ASN A 29 -1.582 30.801 10.228 1.00 0.00 C ATOM 417 CG ASN A 29 -0.866 31.404 11.421 1.00 0.00 C ATOM 418 OD1 ASN A 29 -0.046 32.311 11.273 1.00 0.00 O ATOM 419 ND2 ASN A 29 -1.169 30.915 12.613 1.00 0.00 N ATOM 0 H ASN A 29 0.682 31.024 9.158 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.774 28.816 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.731 31.571 9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.571 30.461 10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.718 31.290 13.448 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.853 30.163 12.697 1.00 0.00 H new ATOM 426 N VAL A 30 -1.483 27.844 8.131 1.00 0.00 N ATOM 427 CA VAL A 30 -2.106 27.250 6.960 1.00 0.00 C ATOM 428 C VAL A 30 -2.951 26.037 7.336 1.00 0.00 C ATOM 429 O VAL A 30 -2.439 25.012 7.798 1.00 0.00 O ATOM 430 CB VAL A 30 -1.061 26.845 5.886 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.524 28.075 5.176 1.00 0.00 C ATOM 432 CG2 VAL A 30 0.082 26.050 6.504 1.00 0.00 C ATOM 0 H VAL A 30 -1.017 27.175 8.744 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.754 28.016 6.534 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.560 26.208 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.207 27.772 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.345 28.602 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.048 28.735 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.799 25.780 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.579 26.656 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.312 25.144 6.965 1.00 0.00 H new ATOM 442 N ASN A 31 -4.251 26.164 7.156 1.00 0.00 N ATOM 443 CA ASN A 31 -5.148 25.050 7.368 1.00 0.00 C ATOM 444 C ASN A 31 -5.563 24.491 6.024 1.00 0.00 C ATOM 445 O ASN A 31 -6.618 24.816 5.479 1.00 0.00 O ATOM 446 CB ASN A 31 -6.365 25.468 8.190 1.00 0.00 C ATOM 447 CG ASN A 31 -6.012 25.743 9.639 1.00 0.00 C ATOM 448 OD1 ASN A 31 -5.670 26.867 10.007 1.00 0.00 O ATOM 449 ND2 ASN A 31 -6.085 24.715 10.470 1.00 0.00 N ATOM 0 H ASN A 31 -4.708 27.028 6.864 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.631 24.277 7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.809 26.361 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.119 24.682 8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.853 24.839 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.373 23.799 10.125 1.00 0.00 H new ATOM 456 N LYS A 32 -4.681 23.678 5.495 1.00 0.00 N ATOM 457 CA LYS A 32 -4.874 23.026 4.211 1.00 0.00 C ATOM 458 C LYS A 32 -4.678 21.531 4.347 1.00 0.00 C ATOM 459 O LYS A 32 -3.871 21.079 5.157 1.00 0.00 O ATOM 460 CB LYS A 32 -3.861 23.559 3.198 1.00 0.00 C ATOM 461 CG LYS A 32 -4.393 24.628 2.264 1.00 0.00 C ATOM 462 CD LYS A 32 -5.298 24.032 1.200 1.00 0.00 C ATOM 463 CE LYS A 32 -5.517 25.003 0.050 1.00 0.00 C ATOM 464 NZ LYS A 32 -4.242 25.344 -0.641 1.00 0.00 N ATOM 0 H LYS A 32 -3.796 23.444 5.945 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.888 23.234 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.006 23.963 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.494 22.725 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.944 25.373 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.560 25.145 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.858 23.110 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.258 23.768 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.212 24.566 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.980 25.915 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.446 25.650 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.764 26.113 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.625 24.507 -0.664 1.00 0.00 H new ATOM 478 N VAL A 33 -5.410 20.767 3.560 1.00 0.00 N ATOM 479 CA VAL A 33 -5.178 19.339 3.466 1.00 0.00 C ATOM 480 C VAL A 33 -4.363 19.067 2.210 1.00 0.00 C ATOM 481 O VAL A 33 -4.769 19.435 1.108 1.00 0.00 O ATOM 482 CB VAL A 33 -6.495 18.536 3.432 1.00 0.00 C ATOM 483 CG1 VAL A 33 -6.215 17.040 3.440 1.00 0.00 C ATOM 484 CG2 VAL A 33 -7.387 18.917 4.603 1.00 0.00 C ATOM 0 H VAL A 33 -6.172 21.112 2.976 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.635 19.015 4.354 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.018 18.782 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.158 16.493 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.620 16.777 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.666 16.777 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.310 18.339 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.869 18.705 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.622 19.980 4.551 1.00 0.00 H new ATOM 494 N SER A 34 -3.208 18.449 2.375 1.00 0.00 N ATOM 495 CA SER A 34 -2.265 18.326 1.281 1.00 0.00 C ATOM 496 C SER A 34 -2.428 16.986 0.569 1.00 0.00 C ATOM 497 O SER A 34 -3.293 16.180 0.921 1.00 0.00 O ATOM 498 CB SER A 34 -0.833 18.488 1.806 1.00 0.00 C ATOM 499 OG SER A 34 0.076 18.749 0.749 1.00 0.00 O ATOM 0 H SER A 34 -2.902 18.027 3.252 1.00 0.00 H new ATOM 0 HA SER A 34 -2.467 19.115 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.798 19.303 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.532 17.583 2.333 1.00 0.00 H new ATOM 0 HG SER A 34 0.980 18.849 1.113 1.00 0.00 H new ATOM 505 N SER A 35 -1.589 16.760 -0.426 1.00 0.00 N ATOM 506 CA SER A 35 -1.644 15.549 -1.224 1.00 0.00 C ATOM 507 C SER A 35 -0.922 14.397 -0.528 1.00 0.00 C ATOM 508 O SER A 35 -0.861 13.286 -1.049 1.00 0.00 O ATOM 509 CB SER A 35 -1.019 15.818 -2.593 1.00 0.00 C ATOM 510 OG SER A 35 -1.625 16.942 -3.212 1.00 0.00 O ATOM 0 H SER A 35 -0.852 17.409 -0.703 1.00 0.00 H new ATOM 0 HA SER A 35 -2.687 15.258 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.051 15.992 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.135 14.941 -3.229 1.00 0.00 H new ATOM 0 HG SER A 35 -1.530 16.871 -4.185 1.00 0.00 H new ATOM 516 N ALA A 36 -0.395 14.670 0.660 1.00 0.00 N ATOM 517 CA ALA A 36 0.346 13.682 1.423 1.00 0.00 C ATOM 518 C ALA A 36 -0.602 12.701 2.094 1.00 0.00 C ATOM 519 O ALA A 36 -1.420 13.078 2.935 1.00 0.00 O ATOM 520 CB ALA A 36 1.229 14.359 2.460 1.00 0.00 C ATOM 0 H ALA A 36 -0.471 15.579 1.117 1.00 0.00 H new ATOM 0 HA ALA A 36 0.984 13.128 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.776 13.602 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.936 15.021 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.609 14.940 3.143 1.00 0.00 H new ATOM 526 N MET A 37 -0.499 11.451 1.697 1.00 0.00 N ATOM 527 CA MET A 37 -1.298 10.385 2.278 1.00 0.00 C ATOM 528 C MET A 37 -0.426 9.476 3.129 1.00 0.00 C ATOM 529 O MET A 37 0.771 9.341 2.891 1.00 0.00 O ATOM 530 CB MET A 37 -1.969 9.565 1.177 1.00 0.00 C ATOM 531 CG MET A 37 -3.021 10.327 0.385 1.00 0.00 C ATOM 532 SD MET A 37 -4.484 10.716 1.366 1.00 0.00 S ATOM 533 CE MET A 37 -5.027 9.069 1.814 1.00 0.00 C ATOM 0 H MET A 37 0.139 11.142 0.964 1.00 0.00 H new ATOM 0 HA MET A 37 -2.066 10.835 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.203 9.205 0.490 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.433 8.687 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.586 11.252 0.007 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.316 9.736 -0.482 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.062 9.107 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.955 8.413 0.946 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.396 8.683 2.614 1.00 0.00 H new ATOM 543 N HIS A 38 -1.027 8.857 4.121 1.00 0.00 N ATOM 544 CA HIS A 38 -0.333 7.916 4.984 1.00 0.00 C ATOM 545 C HIS A 38 -1.005 6.557 4.888 1.00 0.00 C ATOM 546 O HIS A 38 -2.217 6.440 5.059 1.00 0.00 O ATOM 547 CB HIS A 38 -0.330 8.422 6.429 1.00 0.00 C ATOM 548 CG HIS A 38 0.255 7.469 7.430 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.516 6.750 8.316 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.540 7.140 7.702 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.268 6.026 9.091 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.523 6.243 8.743 1.00 0.00 N ATOM 0 H HIS A 38 -2.011 8.989 4.355 1.00 0.00 H new ATOM 0 HA HIS A 38 0.704 7.822 4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.228 9.357 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.355 8.649 6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.417 7.514 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.062 5.365 9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.343 5.816 9.175 1.00 0.00 H new ATOM 561 N LEU A 39 -0.218 5.542 4.612 1.00 0.00 N ATOM 562 CA LEU A 39 -0.755 4.216 4.370 1.00 0.00 C ATOM 563 C LEU A 39 -0.527 3.294 5.558 1.00 0.00 C ATOM 564 O LEU A 39 0.560 3.268 6.138 1.00 0.00 O ATOM 565 CB LEU A 39 -0.129 3.592 3.120 1.00 0.00 C ATOM 566 CG LEU A 39 -0.662 4.099 1.775 1.00 0.00 C ATOM 567 CD1 LEU A 39 -0.205 5.524 1.498 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.221 3.168 0.655 1.00 0.00 C ATOM 0 H LEU A 39 0.798 5.606 4.549 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.828 4.331 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.946 3.767 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.278 2.513 3.164 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.751 4.106 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.600 5.853 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.571 6.183 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.884 5.558 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.604 3.536 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.868 3.133 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.610 2.167 0.840 1.00 0.00 H new ATOM 580 N ARG A 40 -1.565 2.559 5.916 1.00 0.00 N ATOM 581 CA ARG A 40 -1.462 1.499 6.900 1.00 0.00 C ATOM 582 C ARG A 40 -2.225 0.275 6.403 1.00 0.00 C ATOM 583 O ARG A 40 -3.453 0.231 6.445 1.00 0.00 O ATOM 584 CB ARG A 40 -2.002 1.958 8.261 1.00 0.00 C ATOM 585 CG ARG A 40 -2.086 0.844 9.299 1.00 0.00 C ATOM 586 CD ARG A 40 -0.709 0.350 9.708 1.00 0.00 C ATOM 587 NE ARG A 40 -0.775 -0.876 10.502 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.175 -1.044 11.680 1.00 0.00 C ATOM 589 NH1 ARG A 40 0.440 -0.025 12.269 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.208 -2.230 12.271 1.00 0.00 N ATOM 0 H ARG A 40 -2.502 2.681 5.532 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.412 1.240 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.362 2.752 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.994 2.387 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.618 1.206 10.179 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.665 0.014 8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.109 0.171 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.202 1.126 10.282 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.317 -1.655 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.454 0.891 11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.898 -0.158 13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.691 -3.009 11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.250 -2.363 13.173 1.00 0.00 H new ATOM 604 N PHE A 41 -1.489 -0.693 5.890 1.00 0.00 N ATOM 605 CA PHE A 41 -2.087 -1.919 5.390 1.00 0.00 C ATOM 606 C PHE A 41 -1.380 -3.125 5.993 1.00 0.00 C ATOM 607 O PHE A 41 -0.255 -3.451 5.616 1.00 0.00 O ATOM 608 CB PHE A 41 -2.013 -1.965 3.861 1.00 0.00 C ATOM 609 CG PHE A 41 -2.650 -3.187 3.254 1.00 0.00 C ATOM 610 CD1 PHE A 41 -4.025 -3.268 3.110 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.870 -4.250 2.822 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.612 -4.385 2.548 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.452 -5.370 2.260 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.824 -5.437 2.123 1.00 0.00 C ATOM 0 H PHE A 41 -0.473 -0.655 5.808 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.137 -1.944 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.498 -1.076 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.967 -1.924 3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.646 -2.448 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.796 -4.201 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.685 -4.436 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.835 -6.192 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.281 -6.311 1.684 1.00 0.00 H new ATOM 624 N ASP A 42 -2.028 -3.770 6.948 1.00 0.00 N ATOM 625 CA ASP A 42 -1.454 -4.938 7.597 1.00 0.00 C ATOM 626 C ASP A 42 -1.581 -6.167 6.710 1.00 0.00 C ATOM 627 O ASP A 42 -2.659 -6.748 6.588 1.00 0.00 O ATOM 628 CB ASP A 42 -2.128 -5.201 8.949 1.00 0.00 C ATOM 629 CG ASP A 42 -1.769 -4.170 10.001 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.256 -3.027 9.912 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.004 -4.501 10.932 1.00 0.00 O ATOM 0 H ASP A 42 -2.951 -3.506 7.291 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.397 -4.735 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.209 -5.212 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.841 -6.190 9.305 1.00 0.00 H new ATOM 636 N ILE A 43 -0.476 -6.557 6.085 1.00 0.00 N ATOM 637 CA ILE A 43 -0.429 -7.790 5.308 1.00 0.00 C ATOM 638 C ILE A 43 -0.753 -8.965 6.218 1.00 0.00 C ATOM 639 O ILE A 43 -1.379 -9.937 5.810 1.00 0.00 O ATOM 640 CB ILE A 43 0.962 -8.011 4.669 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.354 -6.810 3.805 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.966 -9.288 3.841 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.743 -6.920 3.210 1.00 0.00 C ATOM 0 H ILE A 43 0.401 -6.036 6.101 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.161 -7.712 4.504 1.00 0.00 H new ATOM 0 HB ILE A 43 1.697 -8.113 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.629 -6.701 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.297 -5.904 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.951 -9.431 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.730 -10.138 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.220 -9.211 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.953 -6.034 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.477 -6.998 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.799 -7.807 2.579 1.00 0.00 H new ATOM 655 N ASN A 44 -0.329 -8.835 7.462 1.00 0.00 N ATOM 656 CA ASN A 44 -0.585 -9.823 8.494 1.00 0.00 C ATOM 657 C ASN A 44 -2.079 -10.120 8.640 1.00 0.00 C ATOM 658 O ASN A 44 -2.515 -11.264 8.494 1.00 0.00 O ATOM 659 CB ASN A 44 -0.046 -9.302 9.825 1.00 0.00 C ATOM 660 CG ASN A 44 -0.082 -10.346 10.917 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.088 -10.504 11.608 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.018 -11.056 11.093 1.00 0.00 N ATOM 0 H ASN A 44 0.209 -8.032 7.788 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.085 -10.748 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.980 -8.960 9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.631 -8.437 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.055 -11.767 11.824 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.830 -10.894 10.498 1.00 0.00 H new ATOM 669 N ALA A 45 -2.859 -9.076 8.895 1.00 0.00 N ATOM 670 CA ALA A 45 -4.257 -9.239 9.293 1.00 0.00 C ATOM 671 C ALA A 45 -5.241 -9.100 8.130 1.00 0.00 C ATOM 672 O ALA A 45 -6.450 -9.210 8.332 1.00 0.00 O ATOM 673 CB ALA A 45 -4.594 -8.235 10.384 1.00 0.00 C ATOM 0 H ALA A 45 -2.549 -8.106 8.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.364 -10.258 9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.636 -8.356 10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.949 -8.404 11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.439 -7.224 10.008 1.00 0.00 H new ATOM 679 N SER A 46 -4.736 -8.877 6.924 1.00 0.00 N ATOM 680 CA SER A 46 -5.604 -8.709 5.762 1.00 0.00 C ATOM 681 C SER A 46 -6.126 -10.050 5.252 1.00 0.00 C ATOM 682 O SER A 46 -5.615 -11.116 5.620 1.00 0.00 O ATOM 683 CB SER A 46 -4.863 -7.965 4.650 1.00 0.00 C ATOM 684 OG SER A 46 -3.553 -8.471 4.486 1.00 0.00 O ATOM 0 H SER A 46 -3.738 -8.808 6.724 1.00 0.00 H new ATOM 0 HA SER A 46 -6.465 -8.117 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.413 -8.061 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.819 -6.902 4.886 1.00 0.00 H new ATOM 0 HG SER A 46 -3.157 -8.096 3.672 1.00 0.00 H new ATOM 690 N SER A 47 -7.136 -9.987 4.391 1.00 0.00 N ATOM 691 CA SER A 47 -7.798 -11.178 3.867 1.00 0.00 C ATOM 692 C SER A 47 -6.965 -11.877 2.786 1.00 0.00 C ATOM 693 O SER A 47 -7.453 -12.788 2.110 1.00 0.00 O ATOM 694 CB SER A 47 -9.165 -10.794 3.298 1.00 0.00 C ATOM 695 OG SER A 47 -9.913 -10.044 4.241 1.00 0.00 O ATOM 0 H SER A 47 -7.519 -9.111 4.037 1.00 0.00 H new ATOM 0 HA SER A 47 -7.916 -11.880 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.033 -10.211 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.715 -11.694 3.024 1.00 0.00 H new ATOM 0 HG SER A 47 -9.715 -9.090 4.132 1.00 0.00 H new ATOM 701 N LEU A 48 -5.717 -11.453 2.621 1.00 0.00 N ATOM 702 CA LEU A 48 -4.815 -12.083 1.667 1.00 0.00 C ATOM 703 C LEU A 48 -4.538 -13.531 2.062 1.00 0.00 C ATOM 704 O LEU A 48 -4.438 -13.853 3.245 1.00 0.00 O ATOM 705 CB LEU A 48 -3.499 -11.307 1.590 1.00 0.00 C ATOM 706 CG LEU A 48 -3.577 -9.952 0.893 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.255 -9.212 1.020 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.945 -10.130 -0.574 1.00 0.00 C ATOM 0 H LEU A 48 -5.307 -10.674 3.137 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.294 -12.073 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.127 -11.154 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.764 -11.922 1.070 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.354 -9.359 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.328 -8.248 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.025 -9.055 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.462 -9.802 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.997 -9.154 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.188 -10.740 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.914 -10.624 -0.649 1.00 0.00 H new ATOM 720 N PRO A 49 -4.431 -14.430 1.078 1.00 0.00 N ATOM 721 CA PRO A 49 -4.069 -15.825 1.328 1.00 0.00 C ATOM 722 C PRO A 49 -2.632 -15.946 1.826 1.00 0.00 C ATOM 723 O PRO A 49 -1.735 -15.284 1.298 1.00 0.00 O ATOM 724 CB PRO A 49 -4.218 -16.498 -0.044 1.00 0.00 C ATOM 725 CG PRO A 49 -4.997 -15.536 -0.877 1.00 0.00 C ATOM 726 CD PRO A 49 -4.668 -14.172 -0.345 1.00 0.00 C ATOM 0 HA PRO A 49 -4.692 -16.280 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.244 -16.703 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.737 -17.453 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.725 -15.621 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.066 -15.735 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.789 -13.749 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.487 -13.469 -0.498 1.00 0.00 H new ATOM 734 N PRO A 50 -2.398 -16.792 2.846 1.00 0.00 N ATOM 735 CA PRO A 50 -1.063 -17.006 3.421 1.00 0.00 C ATOM 736 C PRO A 50 -0.034 -17.390 2.363 1.00 0.00 C ATOM 737 O PRO A 50 1.149 -17.089 2.496 1.00 0.00 O ATOM 738 CB PRO A 50 -1.266 -18.158 4.417 1.00 0.00 C ATOM 739 CG PRO A 50 -2.608 -18.728 4.104 1.00 0.00 C ATOM 740 CD PRO A 50 -3.414 -17.602 3.528 1.00 0.00 C ATOM 0 HA PRO A 50 -0.675 -16.099 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.486 -18.911 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.223 -17.799 5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.526 -19.551 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.081 -19.127 5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.176 -17.962 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.930 -17.035 4.303 1.00 0.00 H new ATOM 748 N PHE A 51 -0.506 -18.043 1.305 1.00 0.00 N ATOM 749 CA PHE A 51 0.336 -18.394 0.167 1.00 0.00 C ATOM 750 C PHE A 51 1.079 -17.161 -0.353 1.00 0.00 C ATOM 751 O PHE A 51 2.285 -17.201 -0.599 1.00 0.00 O ATOM 752 CB PHE A 51 -0.536 -18.994 -0.939 1.00 0.00 C ATOM 753 CG PHE A 51 0.227 -19.505 -2.126 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.167 -20.510 -1.980 1.00 0.00 C ATOM 755 CD2 PHE A 51 -0.007 -18.989 -3.389 1.00 0.00 C ATOM 756 CE1 PHE A 51 1.861 -20.993 -3.074 1.00 0.00 C ATOM 757 CE2 PHE A 51 0.683 -19.465 -4.486 1.00 0.00 C ATOM 758 CZ PHE A 51 1.618 -20.469 -4.328 1.00 0.00 C ATOM 0 H PHE A 51 -1.477 -18.342 1.213 1.00 0.00 H new ATOM 0 HA PHE A 51 1.078 -19.128 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.121 -19.813 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.244 -18.237 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.361 -20.922 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.738 -18.205 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.592 -21.778 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.492 -19.053 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.159 -20.844 -5.185 1.00 0.00 H new ATOM 768 N TYR A 52 0.345 -16.067 -0.511 1.00 0.00 N ATOM 769 CA TYR A 52 0.915 -14.813 -0.964 1.00 0.00 C ATOM 770 C TYR A 52 1.674 -14.108 0.156 1.00 0.00 C ATOM 771 O TYR A 52 2.691 -13.460 -0.089 1.00 0.00 O ATOM 772 CB TYR A 52 -0.192 -13.919 -1.513 1.00 0.00 C ATOM 773 CG TYR A 52 -0.752 -14.412 -2.826 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.146 -14.075 -4.026 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.875 -15.232 -2.863 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.643 -14.535 -5.229 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.375 -15.701 -4.063 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.758 -15.348 -5.243 1.00 0.00 C ATOM 779 OH TYR A 52 -2.247 -15.817 -6.443 1.00 0.00 O ATOM 0 H TYR A 52 -0.658 -16.028 -0.329 1.00 0.00 H new ATOM 0 HA TYR A 52 1.633 -15.025 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.998 -13.857 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.196 -12.909 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.729 -13.442 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.364 -15.506 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.161 -14.260 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.245 -16.341 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.035 -16.376 -6.279 1.00 0.00 H new ATOM 789 N LYS A 53 1.177 -14.245 1.384 1.00 0.00 N ATOM 790 CA LYS A 53 1.802 -13.608 2.543 1.00 0.00 C ATOM 791 C LYS A 53 3.223 -14.121 2.753 1.00 0.00 C ATOM 792 O LYS A 53 4.142 -13.332 2.982 1.00 0.00 O ATOM 793 CB LYS A 53 0.964 -13.828 3.807 1.00 0.00 C ATOM 794 CG LYS A 53 -0.383 -13.121 3.771 1.00 0.00 C ATOM 795 CD LYS A 53 -1.168 -13.325 5.059 1.00 0.00 C ATOM 796 CE LYS A 53 -2.487 -12.570 5.019 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.298 -12.762 6.252 1.00 0.00 N ATOM 0 H LYS A 53 0.344 -14.791 1.603 1.00 0.00 H new ATOM 0 HA LYS A 53 1.852 -12.537 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.801 -14.897 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.527 -13.478 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.229 -12.055 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.966 -13.493 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.358 -14.388 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.575 -12.984 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.288 -11.507 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.064 -12.900 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.250 -12.370 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.371 -13.777 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.841 -12.273 7.048 1.00 0.00 H new ATOM 811 N GLU A 54 3.403 -15.436 2.657 1.00 0.00 N ATOM 812 CA GLU A 54 4.727 -16.037 2.790 1.00 0.00 C ATOM 813 C GLU A 54 5.693 -15.495 1.737 1.00 0.00 C ATOM 814 O GLU A 54 6.867 -15.266 2.028 1.00 0.00 O ATOM 815 CB GLU A 54 4.654 -17.563 2.691 1.00 0.00 C ATOM 816 CG GLU A 54 4.532 -18.269 4.034 1.00 0.00 C ATOM 817 CD GLU A 54 3.181 -18.087 4.698 1.00 0.00 C ATOM 818 OE1 GLU A 54 2.962 -17.041 5.343 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.339 -19.007 4.596 1.00 0.00 O ATOM 0 H GLU A 54 2.651 -16.104 2.488 1.00 0.00 H new ATOM 0 HA GLU A 54 5.104 -15.768 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.800 -17.835 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.547 -17.926 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.717 -19.334 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.308 -17.896 4.702 1.00 0.00 H new ATOM 826 N ARG A 55 5.190 -15.284 0.522 1.00 0.00 N ATOM 827 CA ARG A 55 6.003 -14.748 -0.568 1.00 0.00 C ATOM 828 C ARG A 55 6.481 -13.335 -0.242 1.00 0.00 C ATOM 829 O ARG A 55 7.651 -13.006 -0.422 1.00 0.00 O ATOM 830 CB ARG A 55 5.213 -14.740 -1.881 1.00 0.00 C ATOM 831 CG ARG A 55 5.047 -16.114 -2.515 1.00 0.00 C ATOM 832 CD ARG A 55 4.244 -16.034 -3.805 1.00 0.00 C ATOM 833 NE ARG A 55 4.287 -17.286 -4.565 1.00 0.00 N ATOM 834 CZ ARG A 55 3.452 -17.591 -5.560 1.00 0.00 C ATOM 835 NH1 ARG A 55 2.451 -16.776 -5.876 1.00 0.00 N ATOM 836 NH2 ARG A 55 3.609 -18.721 -6.235 1.00 0.00 N ATOM 0 H ARG A 55 4.221 -15.477 0.267 1.00 0.00 H new ATOM 0 HA ARG A 55 6.873 -15.394 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.226 -14.315 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.715 -14.083 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.028 -16.543 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.547 -16.782 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.208 -15.789 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.632 -15.223 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 55 5.002 -17.969 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.316 -15.909 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.818 -17.018 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.368 -19.358 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.970 -18.954 -6.996 1.00 0.00 H new ATOM 850 N LEU A 56 5.562 -12.512 0.250 1.00 0.00 N ATOM 851 CA LEU A 56 5.873 -11.130 0.607 1.00 0.00 C ATOM 852 C LEU A 56 6.880 -11.070 1.751 1.00 0.00 C ATOM 853 O LEU A 56 7.862 -10.327 1.694 1.00 0.00 O ATOM 854 CB LEU A 56 4.592 -10.391 1.003 1.00 0.00 C ATOM 855 CG LEU A 56 3.579 -10.193 -0.125 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.307 -9.552 0.405 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.180 -9.343 -1.232 1.00 0.00 C ATOM 0 H LEU A 56 4.591 -12.778 0.412 1.00 0.00 H new ATOM 0 HA LEU A 56 6.317 -10.647 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.109 -10.941 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.864 -9.413 1.401 1.00 0.00 H new ATOM 0 HG LEU A 56 3.325 -11.170 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.598 -9.419 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.866 -10.195 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.543 -8.582 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.447 -9.211 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.460 -8.369 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.064 -9.839 -1.632 1.00 0.00 H new ATOM 869 N LEU A 57 6.636 -11.866 2.780 1.00 0.00 N ATOM 870 CA LEU A 57 7.494 -11.917 3.946 1.00 0.00 C ATOM 871 C LEU A 57 8.893 -12.430 3.607 1.00 0.00 C ATOM 872 O LEU A 57 9.866 -12.122 4.300 1.00 0.00 O ATOM 873 CB LEU A 57 6.847 -12.822 4.989 1.00 0.00 C ATOM 874 CG LEU A 57 5.599 -12.251 5.667 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.004 -13.264 6.630 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.930 -10.956 6.390 1.00 0.00 C ATOM 0 H LEU A 57 5.835 -12.495 2.827 1.00 0.00 H new ATOM 0 HA LEU A 57 7.608 -10.905 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.582 -13.766 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.586 -13.049 5.757 1.00 0.00 H new ATOM 0 HG LEU A 57 4.858 -12.034 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.118 -12.840 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.728 -14.166 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.739 -13.514 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.031 -10.565 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.689 -11.147 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.308 -10.226 5.674 1.00 0.00 H new ATOM 888 N ALA A 58 8.994 -13.203 2.538 1.00 0.00 N ATOM 889 CA ALA A 58 10.262 -13.800 2.146 1.00 0.00 C ATOM 890 C ALA A 58 11.010 -12.933 1.143 1.00 0.00 C ATOM 891 O ALA A 58 12.032 -13.354 0.597 1.00 0.00 O ATOM 892 CB ALA A 58 10.031 -15.187 1.568 1.00 0.00 C ATOM 0 H ALA A 58 8.212 -13.433 1.925 1.00 0.00 H new ATOM 0 HA ALA A 58 10.880 -13.878 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.986 -15.624 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.555 -15.819 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.385 -15.114 0.693 1.00 0.00 H new ATOM 898 N LEU A 59 10.528 -11.717 0.915 1.00 0.00 N ATOM 899 CA LEU A 59 11.139 -10.846 -0.060 1.00 0.00 C ATOM 900 C LEU A 59 12.389 -10.196 0.521 1.00 0.00 C ATOM 901 O LEU A 59 12.563 -10.121 1.737 1.00 0.00 O ATOM 902 CB LEU A 59 10.145 -9.780 -0.520 1.00 0.00 C ATOM 903 CG LEU A 59 9.838 -9.774 -2.025 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.792 -8.719 -2.351 1.00 0.00 C ATOM 905 CD2 LEU A 59 11.107 -9.534 -2.831 1.00 0.00 C ATOM 0 H LEU A 59 9.719 -11.320 1.394 1.00 0.00 H new ATOM 0 HA LEU A 59 11.429 -11.442 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.211 -9.919 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.533 -8.800 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 59 9.439 -10.751 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.587 -8.729 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.875 -8.935 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.164 -7.736 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.868 -9.533 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.537 -8.571 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.826 -10.326 -2.621 1.00 0.00 H new ATOM 917 N ASN A 60 13.244 -9.726 -0.361 1.00 0.00 N ATOM 918 CA ASN A 60 14.514 -9.130 0.024 1.00 0.00 C ATOM 919 C ASN A 60 14.375 -7.619 0.077 1.00 0.00 C ATOM 920 O ASN A 60 15.359 -6.880 0.083 1.00 0.00 O ATOM 921 CB ASN A 60 15.581 -9.532 -0.993 1.00 0.00 C ATOM 922 CG ASN A 60 17.002 -9.334 -0.488 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.546 -10.190 0.205 1.00 0.00 O ATOM 924 ND2 ASN A 60 17.621 -8.223 -0.854 1.00 0.00 N ATOM 0 H ASN A 60 13.082 -9.744 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 60 14.808 -9.486 1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.441 -10.579 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.442 -8.949 -1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.583 -8.055 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.136 -7.535 -1.430 1.00 0.00 H new ATOM 931 N ASP A 61 13.139 -7.158 0.116 1.00 0.00 N ATOM 932 CA ASP A 61 12.870 -5.739 0.014 1.00 0.00 C ATOM 933 C ASP A 61 12.921 -5.085 1.390 1.00 0.00 C ATOM 934 O ASP A 61 12.806 -5.754 2.415 1.00 0.00 O ATOM 935 CB ASP A 61 11.516 -5.492 -0.647 1.00 0.00 C ATOM 936 CG ASP A 61 11.388 -4.071 -1.147 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.995 -3.196 -0.360 1.00 0.00 O ATOM 938 OD2 ASP A 61 11.720 -3.816 -2.324 1.00 0.00 O ATOM 0 H ASP A 61 12.310 -7.744 0.217 1.00 0.00 H new ATOM 0 HA ASP A 61 13.642 -5.289 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.386 -6.184 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.719 -5.699 0.067 1.00 0.00 H new ATOM 943 N SER A 62 13.082 -3.778 1.396 1.00 0.00 N ATOM 944 CA SER A 62 13.268 -3.027 2.631 1.00 0.00 C ATOM 945 C SER A 62 11.975 -2.338 3.072 1.00 0.00 C ATOM 946 O SER A 62 11.857 -1.904 4.219 1.00 0.00 O ATOM 947 CB SER A 62 14.367 -1.984 2.443 1.00 0.00 C ATOM 948 OG SER A 62 15.537 -2.566 1.885 1.00 0.00 O ATOM 0 H SER A 62 13.088 -3.204 0.553 1.00 0.00 H new ATOM 0 HA SER A 62 13.557 -3.733 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.008 -1.187 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.607 -1.528 3.403 1.00 0.00 H new ATOM 0 HG SER A 62 15.654 -2.248 0.966 1.00 0.00 H new ATOM 954 N ARG A 63 11.010 -2.234 2.160 1.00 0.00 N ATOM 955 CA ARG A 63 9.737 -1.595 2.475 1.00 0.00 C ATOM 956 C ARG A 63 8.889 -2.538 3.319 1.00 0.00 C ATOM 957 O ARG A 63 8.190 -2.116 4.241 1.00 0.00 O ATOM 958 CB ARG A 63 8.968 -1.229 1.199 1.00 0.00 C ATOM 959 CG ARG A 63 9.790 -0.480 0.159 1.00 0.00 C ATOM 960 CD ARG A 63 10.295 0.858 0.667 1.00 0.00 C ATOM 961 NE ARG A 63 11.102 1.539 -0.342 1.00 0.00 N ATOM 962 CZ ARG A 63 11.030 2.841 -0.609 1.00 0.00 C ATOM 963 NH1 ARG A 63 10.195 3.618 0.068 1.00 0.00 N ATOM 964 NH2 ARG A 63 11.799 3.357 -1.559 1.00 0.00 N ATOM 0 H ARG A 63 11.086 -2.582 1.204 1.00 0.00 H new ATOM 0 HA ARG A 63 9.944 -0.679 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.581 -2.143 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.107 -0.619 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.639 -1.095 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.183 -0.320 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.449 1.487 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.888 0.707 1.569 1.00 0.00 H new ATOM 0 HE ARG A 63 11.765 0.979 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.604 3.218 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.144 4.615 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.439 2.757 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.750 4.354 -1.770 1.00 0.00 H new ATOM 978 N ILE A 64 8.959 -3.818 2.985 1.00 0.00 N ATOM 979 CA ILE A 64 8.215 -4.842 3.696 1.00 0.00 C ATOM 980 C ILE A 64 8.837 -5.108 5.061 1.00 0.00 C ATOM 981 O ILE A 64 9.939 -5.655 5.158 1.00 0.00 O ATOM 982 CB ILE A 64 8.158 -6.151 2.876 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.469 -5.893 1.534 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.424 -7.238 3.652 1.00 0.00 C ATOM 985 CD1 ILE A 64 7.405 -7.107 0.631 1.00 0.00 C ATOM 0 H ILE A 64 9.530 -4.173 2.218 1.00 0.00 H new ATOM 0 HA ILE A 64 7.198 -4.478 3.839 1.00 0.00 H new ATOM 0 HB ILE A 64 9.176 -6.495 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.456 -5.537 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.997 -5.094 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.394 -8.152 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.946 -7.431 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.406 -6.910 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.903 -6.842 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.416 -7.451 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.851 -7.902 1.129 1.00 0.00 H new ATOM 997 N THR A 65 8.142 -4.702 6.112 1.00 0.00 N ATOM 998 CA THR A 65 8.637 -4.882 7.463 1.00 0.00 C ATOM 999 C THR A 65 8.427 -6.318 7.937 1.00 0.00 C ATOM 1000 O THR A 65 7.592 -7.048 7.393 1.00 0.00 O ATOM 1001 CB THR A 65 7.964 -3.893 8.428 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.993 -3.119 7.719 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.993 -2.964 9.051 1.00 0.00 C ATOM 0 H THR A 65 7.232 -4.245 6.053 1.00 0.00 H new ATOM 0 HA THR A 65 9.708 -4.680 7.455 1.00 0.00 H new ATOM 0 HB THR A 65 7.479 -4.460 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.195 -3.664 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.495 -2.272 9.730 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.726 -3.551 9.604 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.497 -2.401 8.266 1.00 0.00 H new ATOM 1011 N SER A 66 9.164 -6.711 8.967 1.00 0.00 N ATOM 1012 CA SER A 66 9.232 -8.105 9.389 1.00 0.00 C ATOM 1013 C SER A 66 7.956 -8.555 10.102 1.00 0.00 C ATOM 1014 O SER A 66 7.802 -9.731 10.434 1.00 0.00 O ATOM 1015 CB SER A 66 10.442 -8.291 10.298 1.00 0.00 C ATOM 1016 OG SER A 66 11.596 -7.715 9.711 1.00 0.00 O ATOM 0 H SER A 66 9.729 -6.077 9.532 1.00 0.00 H new ATOM 0 HA SER A 66 9.333 -8.726 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.251 -7.830 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.610 -9.353 10.478 1.00 0.00 H new ATOM 0 HG SER A 66 12.364 -7.841 10.307 1.00 0.00 H new ATOM 1022 N ASP A 67 7.043 -7.626 10.341 1.00 0.00 N ATOM 1023 CA ASP A 67 5.769 -7.955 10.969 1.00 0.00 C ATOM 1024 C ASP A 67 4.668 -8.089 9.925 1.00 0.00 C ATOM 1025 O ASP A 67 3.518 -8.375 10.257 1.00 0.00 O ATOM 1026 CB ASP A 67 5.387 -6.904 12.016 1.00 0.00 C ATOM 1027 CG ASP A 67 6.300 -6.946 13.223 1.00 0.00 C ATOM 1028 OD1 ASP A 67 6.263 -7.944 13.966 1.00 0.00 O ATOM 1029 OD2 ASP A 67 7.076 -5.991 13.423 1.00 0.00 O ATOM 0 H ASP A 67 7.159 -6.639 10.111 1.00 0.00 H new ATOM 0 HA ASP A 67 5.884 -8.915 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.428 -5.912 11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.358 -7.067 12.335 1.00 0.00 H new ATOM 1034 N GLY A 68 5.032 -7.901 8.661 1.00 0.00 N ATOM 1035 CA GLY A 68 4.057 -7.995 7.593 1.00 0.00 C ATOM 1036 C GLY A 68 3.098 -6.827 7.602 1.00 0.00 C ATOM 1037 O GLY A 68 1.882 -7.009 7.571 1.00 0.00 O ATOM 0 H GLY A 68 5.982 -7.686 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.572 -8.034 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.497 -8.925 7.693 1.00 0.00 H new ATOM 1041 N VAL A 69 3.646 -5.625 7.654 1.00 0.00 N ATOM 1042 CA VAL A 69 2.835 -4.421 7.708 1.00 0.00 C ATOM 1043 C VAL A 69 3.293 -3.430 6.644 1.00 0.00 C ATOM 1044 O VAL A 69 4.488 -3.257 6.419 1.00 0.00 O ATOM 1045 CB VAL A 69 2.913 -3.746 9.098 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.003 -2.529 9.170 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.571 -4.730 10.208 1.00 0.00 C ATOM 0 H VAL A 69 4.652 -5.457 7.660 1.00 0.00 H new ATOM 0 HA VAL A 69 1.802 -4.714 7.522 1.00 0.00 H new ATOM 0 HB VAL A 69 3.941 -3.413 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.079 -2.076 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.305 -1.804 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.972 -2.834 8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.634 -4.227 11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.559 -5.107 10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.275 -5.562 10.186 1.00 0.00 H new ATOM 1057 N ILE A 70 2.336 -2.810 5.973 1.00 0.00 N ATOM 1058 CA ILE A 70 2.636 -1.782 4.992 1.00 0.00 C ATOM 1059 C ILE A 70 2.333 -0.404 5.569 1.00 0.00 C ATOM 1060 O ILE A 70 1.172 -0.046 5.771 1.00 0.00 O ATOM 1061 CB ILE A 70 1.827 -1.992 3.685 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.269 -3.284 2.990 1.00 0.00 C ATOM 1063 CG2 ILE A 70 1.972 -0.802 2.744 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.731 -3.298 2.591 1.00 0.00 C ATOM 0 H ILE A 70 1.341 -3.002 6.091 1.00 0.00 H new ATOM 0 HA ILE A 70 3.697 -1.852 4.750 1.00 0.00 H new ATOM 0 HB ILE A 70 0.773 -2.077 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.076 -4.126 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.658 -3.433 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.393 -0.982 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.605 0.098 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.022 -0.670 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.967 -4.245 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.928 -2.478 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.352 -3.182 3.479 1.00 0.00 H new ATOM 1076 N VAL A 71 3.384 0.348 5.862 1.00 0.00 N ATOM 1077 CA VAL A 71 3.244 1.713 6.353 1.00 0.00 C ATOM 1078 C VAL A 71 4.069 2.649 5.488 1.00 0.00 C ATOM 1079 O VAL A 71 5.298 2.580 5.483 1.00 0.00 O ATOM 1080 CB VAL A 71 3.708 1.864 7.815 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.414 3.264 8.331 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.059 0.817 8.707 1.00 0.00 C ATOM 0 H VAL A 71 4.350 0.034 5.768 1.00 0.00 H new ATOM 0 HA VAL A 71 2.184 1.963 6.306 1.00 0.00 H new ATOM 0 HB VAL A 71 4.786 1.707 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.750 3.349 9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.940 3.996 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.342 3.452 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.405 0.948 9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.975 0.930 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.331 -0.179 8.357 1.00 0.00 H new ATOM 1092 N LEU A 72 3.394 3.507 4.752 1.00 0.00 N ATOM 1093 CA LEU A 72 4.066 4.409 3.825 1.00 0.00 C ATOM 1094 C LEU A 72 3.516 5.822 3.930 1.00 0.00 C ATOM 1095 O LEU A 72 2.532 6.078 4.628 1.00 0.00 O ATOM 1096 CB LEU A 72 3.936 3.938 2.367 1.00 0.00 C ATOM 1097 CG LEU A 72 4.935 2.871 1.900 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.594 1.505 2.468 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.975 2.819 0.381 1.00 0.00 C ATOM 0 H LEU A 72 2.379 3.603 4.774 1.00 0.00 H new ATOM 0 HA LEU A 72 5.119 4.404 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.928 3.548 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.037 4.807 1.717 1.00 0.00 H new ATOM 0 HG LEU A 72 5.921 3.148 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.322 0.773 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.618 1.547 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.597 1.212 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.687 2.058 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.984 2.572 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.282 3.790 -0.008 1.00 0.00 H new ATOM 1111 N LYS A 73 4.163 6.720 3.210 1.00 0.00 N ATOM 1112 CA LYS A 73 3.764 8.114 3.134 1.00 0.00 C ATOM 1113 C LYS A 73 3.791 8.536 1.673 1.00 0.00 C ATOM 1114 O LYS A 73 4.855 8.682 1.074 1.00 0.00 O ATOM 1115 CB LYS A 73 4.704 8.990 3.961 1.00 0.00 C ATOM 1116 CG LYS A 73 4.746 8.619 5.440 1.00 0.00 C ATOM 1117 CD LYS A 73 5.884 9.312 6.178 1.00 0.00 C ATOM 1118 CE LYS A 73 7.242 8.795 5.724 1.00 0.00 C ATOM 1119 NZ LYS A 73 8.362 9.422 6.476 1.00 0.00 N ATOM 0 H LYS A 73 4.990 6.500 2.655 1.00 0.00 H new ATOM 0 HA LYS A 73 2.760 8.235 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.710 8.918 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.394 10.031 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.798 8.886 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.857 7.539 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.828 10.387 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.773 9.153 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.279 7.714 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.366 8.992 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.267 9.040 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.344 10.452 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.260 9.213 7.490 1.00 0.00 H new ATOM 1133 N ALA A 74 2.616 8.696 1.107 1.00 0.00 N ATOM 1134 CA ALA A 74 2.466 8.928 -0.322 1.00 0.00 C ATOM 1135 C ALA A 74 2.406 10.413 -0.647 1.00 0.00 C ATOM 1136 O ALA A 74 1.479 11.114 -0.244 1.00 0.00 O ATOM 1137 CB ALA A 74 1.224 8.224 -0.842 1.00 0.00 C ATOM 0 H ALA A 74 1.734 8.670 1.619 1.00 0.00 H new ATOM 0 HA ALA A 74 3.345 8.516 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.124 8.406 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.311 7.152 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.345 8.608 -0.325 1.00 0.00 H new ATOM 1143 N GLN A 75 3.413 10.878 -1.366 1.00 0.00 N ATOM 1144 CA GLN A 75 3.462 12.249 -1.842 1.00 0.00 C ATOM 1145 C GLN A 75 4.218 12.290 -3.164 1.00 0.00 C ATOM 1146 O GLN A 75 5.447 12.329 -3.189 1.00 0.00 O ATOM 1147 CB GLN A 75 4.134 13.150 -0.802 1.00 0.00 C ATOM 1148 CG GLN A 75 4.304 14.595 -1.244 1.00 0.00 C ATOM 1149 CD GLN A 75 4.910 15.465 -0.161 1.00 0.00 C ATOM 1150 OE1 GLN A 75 4.693 15.242 1.031 1.00 0.00 O ATOM 1151 NE2 GLN A 75 5.683 16.459 -0.563 1.00 0.00 N ATOM 0 H GLN A 75 4.220 10.315 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 75 2.449 12.619 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.545 13.129 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.114 12.738 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.938 14.629 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.334 15.000 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.839 16.613 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.123 17.072 0.123 1.00 0.00 H new ATOM 1160 N GLN A 76 3.480 12.235 -4.262 1.00 0.00 N ATOM 1161 CA GLN A 76 4.086 12.149 -5.579 1.00 0.00 C ATOM 1162 C GLN A 76 3.333 13.008 -6.589 1.00 0.00 C ATOM 1163 O GLN A 76 3.869 13.984 -7.113 1.00 0.00 O ATOM 1164 CB GLN A 76 4.085 10.691 -6.041 1.00 0.00 C ATOM 1165 CG GLN A 76 4.818 10.458 -7.352 1.00 0.00 C ATOM 1166 CD GLN A 76 4.629 9.051 -7.895 1.00 0.00 C ATOM 1167 OE1 GLN A 76 3.464 8.470 -7.654 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 5.517 8.495 -8.540 1.00 0.00 N flip ATOM 0 H GLN A 76 2.460 12.248 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 76 5.109 12.520 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.542 10.075 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.054 10.355 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.466 11.177 -8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.882 10.645 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.402 8.973 -8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.368 7.556 -8.909 1.00 0.00 H new ATOM 1177 N TYR A 77 2.081 12.645 -6.837 1.00 0.00 N ATOM 1178 CA TYR A 77 1.283 13.280 -7.873 1.00 0.00 C ATOM 1179 C TYR A 77 0.730 14.618 -7.381 1.00 0.00 C ATOM 1180 O TYR A 77 0.913 14.991 -6.217 1.00 0.00 O ATOM 1181 CB TYR A 77 0.135 12.350 -8.290 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.194 12.382 -9.772 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.432 11.512 -10.660 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.135 13.269 -10.281 1.00 0.00 C ATOM 1185 CE1 TYR A 77 0.128 11.525 -12.007 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.444 13.286 -11.628 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.810 12.415 -12.486 1.00 0.00 C ATOM 1188 OH TYR A 77 -1.122 12.433 -13.828 1.00 0.00 O ATOM 0 H TYR A 77 1.594 11.907 -6.328 1.00 0.00 H new ATOM 0 HA TYR A 77 1.919 13.470 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.392 11.328 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.758 12.620 -7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.168 10.815 -10.289 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.633 13.956 -9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.622 10.842 -12.682 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.180 13.980 -12.006 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.802 13.118 -13.997 1.00 0.00 H new ATOM 1198 N ARG A 78 0.054 15.326 -8.278 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.488 16.650 -7.996 1.00 0.00 C ATOM 1200 C ARG A 78 -1.468 16.627 -6.829 1.00 0.00 C ATOM 1201 O ARG A 78 -1.281 17.329 -5.836 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.198 17.185 -9.246 1.00 0.00 C ATOM 1203 CG ARG A 78 -0.986 18.670 -9.506 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.538 19.549 -8.394 1.00 0.00 C ATOM 1205 NE ARG A 78 -1.265 20.961 -8.647 1.00 0.00 N ATOM 1206 CZ ARG A 78 -1.366 21.928 -7.740 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -1.795 21.669 -6.508 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -1.055 23.171 -8.075 1.00 0.00 N ATOM 0 H ARG A 78 -0.134 14.997 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 78 0.343 17.300 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.851 16.624 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.267 16.995 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.080 18.865 -9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.463 18.941 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.613 19.395 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.095 19.256 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.976 21.225 -9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.052 20.717 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.867 22.422 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.741 23.380 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.130 23.919 -7.385 1.00 0.00 H new ATOM 1222 N THR A 79 -2.509 15.817 -6.946 1.00 0.00 N ATOM 1223 CA THR A 79 -3.610 15.865 -6.001 1.00 0.00 C ATOM 1224 C THR A 79 -3.609 14.668 -5.058 1.00 0.00 C ATOM 1225 O THR A 79 -3.012 13.627 -5.346 1.00 0.00 O ATOM 1226 CB THR A 79 -4.963 15.908 -6.734 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.125 14.717 -7.512 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.054 17.127 -7.642 1.00 0.00 C ATOM 0 H THR A 79 -2.613 15.121 -7.684 1.00 0.00 H new ATOM 0 HA THR A 79 -3.472 16.775 -5.416 1.00 0.00 H new ATOM 0 HB THR A 79 -5.756 15.975 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.516 14.945 -8.381 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.020 17.133 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.951 18.033 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.256 17.088 -8.384 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.284 14.843 -3.932 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.487 13.779 -2.956 1.00 0.00 C ATOM 1238 C GLN A 80 -5.247 12.611 -3.582 1.00 0.00 C ATOM 1239 O GLN A 80 -4.971 11.447 -3.291 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.265 14.335 -1.763 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.561 13.318 -0.679 1.00 0.00 C ATOM 1242 CD GLN A 80 -6.402 13.899 0.441 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.749 14.461 1.442 1.00 0.00 O flip ATOM 1244 NE2 GLN A 80 -7.633 13.850 0.400 1.00 0.00 N flip ATOM 0 H GLN A 80 -4.709 15.731 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.517 13.411 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.698 15.158 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.207 14.751 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.081 12.465 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.623 12.944 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.100 13.407 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.185 14.253 1.157 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.194 12.942 -4.457 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.012 11.942 -5.132 1.00 0.00 C ATOM 1255 C GLU A 81 -6.153 11.026 -6.000 1.00 0.00 C ATOM 1256 O GLU A 81 -6.235 9.802 -5.898 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.087 12.626 -5.987 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.984 11.651 -6.729 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.937 12.343 -7.683 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.508 12.702 -8.804 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.121 12.518 -7.329 1.00 0.00 O ATOM 0 H GLU A 81 -6.414 13.904 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.498 11.331 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.702 13.257 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.602 13.282 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.366 10.947 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.557 11.070 -6.007 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.318 11.624 -6.845 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.460 10.846 -7.728 1.00 0.00 C ATOM 1270 C GLN A 82 -3.414 10.067 -6.936 1.00 0.00 C ATOM 1271 O GLN A 82 -3.033 8.967 -7.324 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.790 11.742 -8.771 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.606 11.930 -10.047 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.933 12.628 -9.822 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -6.019 13.855 -9.881 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.978 11.852 -9.588 1.00 0.00 N ATOM 0 H GLN A 82 -5.219 12.635 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.090 10.127 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.600 12.719 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.821 11.316 -9.032 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.019 12.506 -10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.790 10.955 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.862 10.839 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.900 12.266 -9.448 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.962 10.633 -5.821 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.016 9.938 -4.949 1.00 0.00 C ATOM 1287 C ASN A 83 -2.659 8.707 -4.324 1.00 0.00 C ATOM 1288 O ASN A 83 -1.997 7.688 -4.127 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.475 10.858 -3.850 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.306 11.698 -4.325 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.462 11.282 -5.190 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.139 12.872 -3.741 1.00 0.00 N ATOM 0 H ASN A 83 -3.232 11.563 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.178 9.625 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.273 11.514 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.164 10.256 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.648 13.465 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.797 13.185 -3.027 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.951 8.803 -4.010 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.698 7.677 -3.498 1.00 0.00 C ATOM 1301 C ARG A 84 -4.704 6.552 -4.519 1.00 0.00 C ATOM 1302 O ARG A 84 -4.337 5.414 -4.224 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.127 8.118 -3.214 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.026 7.010 -2.720 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.474 7.445 -2.726 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.817 8.286 -1.578 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.034 8.786 -1.360 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -11.023 8.549 -2.221 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.264 9.519 -0.277 1.00 0.00 N ATOM 0 H ARG A 84 -4.496 9.660 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.233 7.318 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.109 8.916 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.554 8.539 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.904 6.129 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.733 6.722 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.681 7.992 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.114 6.563 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.082 8.502 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.851 7.983 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.952 8.934 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.511 9.699 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.194 9.902 -0.109 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.124 6.903 -5.724 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.212 5.953 -6.826 1.00 0.00 C ATOM 1325 C ALA A 85 -3.854 5.339 -7.162 1.00 0.00 C ATOM 1326 O ALA A 85 -3.762 4.144 -7.440 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.801 6.632 -8.052 1.00 0.00 C ATOM 0 H ALA A 85 -5.413 7.850 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.867 5.141 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.863 5.915 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.799 7.003 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.164 7.466 -8.348 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.807 6.164 -7.140 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.449 5.704 -7.435 1.00 0.00 C ATOM 1335 C ASP A 86 -0.997 4.668 -6.417 1.00 0.00 C ATOM 1336 O ASP A 86 -0.605 3.555 -6.774 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.476 6.890 -7.415 1.00 0.00 C ATOM 1338 CG ASP A 86 0.945 6.507 -7.797 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.244 6.455 -9.010 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.779 6.288 -6.891 1.00 0.00 O ATOM 0 H ASP A 86 -2.873 7.158 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.453 5.249 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.835 7.658 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.471 7.330 -6.418 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.089 5.039 -5.149 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.646 4.182 -4.058 1.00 0.00 C ATOM 1347 C ALA A 87 -1.400 2.857 -4.037 1.00 0.00 C ATOM 1348 O ALA A 87 -0.791 1.794 -3.917 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.802 4.903 -2.731 1.00 0.00 C ATOM 0 H ALA A 87 -1.470 5.936 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 87 0.408 3.955 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.468 4.253 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.201 5.812 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.850 5.162 -2.579 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.719 2.918 -4.165 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.546 1.718 -4.131 1.00 0.00 C ATOM 1357 C LEU A 88 -3.232 0.794 -5.301 1.00 0.00 C ATOM 1358 O LEU A 88 -3.197 -0.428 -5.145 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.029 2.083 -4.135 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.523 2.813 -2.882 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.010 3.110 -2.996 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.237 1.993 -1.632 1.00 0.00 C ATOM 0 H LEU A 88 -3.240 3.786 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.316 1.188 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.231 2.709 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.611 1.170 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.985 3.757 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.347 3.629 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.190 3.739 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.561 2.175 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.596 2.530 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.747 1.032 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.163 1.829 -1.543 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.998 1.377 -6.471 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.692 0.604 -7.665 1.00 0.00 C ATOM 1376 C LEU A 89 -1.341 -0.085 -7.504 1.00 0.00 C ATOM 1377 O LEU A 89 -1.208 -1.288 -7.743 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.695 1.526 -8.893 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.842 0.846 -10.263 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.568 0.120 -10.669 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.021 -0.118 -10.257 1.00 0.00 C ATOM 0 H LEU A 89 -3.015 2.386 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.453 -0.164 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.509 2.242 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.766 2.096 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.028 1.628 -10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.711 -0.348 -11.643 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.745 0.833 -10.726 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.334 -0.646 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.110 -0.590 -11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.861 -0.883 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.937 0.429 -10.034 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.350 0.677 -7.068 1.00 0.00 N ATOM 1394 CA ARG A 90 1.004 0.163 -6.906 1.00 0.00 C ATOM 1395 C ARG A 90 1.083 -0.832 -5.752 1.00 0.00 C ATOM 1396 O ARG A 90 1.924 -1.730 -5.759 1.00 0.00 O ATOM 1397 CB ARG A 90 1.977 1.318 -6.698 1.00 0.00 C ATOM 1398 CG ARG A 90 2.071 2.224 -7.914 1.00 0.00 C ATOM 1399 CD ARG A 90 2.784 3.523 -7.601 1.00 0.00 C ATOM 1400 NE ARG A 90 4.185 3.327 -7.237 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.973 4.309 -6.810 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.468 5.527 -6.624 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.253 4.070 -6.551 1.00 0.00 N ATOM 0 H ARG A 90 -0.458 1.660 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 90 1.282 -0.370 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.661 1.904 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.965 0.920 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.599 1.704 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.068 2.441 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.727 4.181 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.268 4.027 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 90 4.579 2.389 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.481 5.703 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.069 6.284 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.633 3.132 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.857 4.824 -6.223 1.00 0.00 H new ATOM 1417 N LEU A 91 0.208 -0.665 -4.766 1.00 0.00 N ATOM 1418 CA LEU A 91 0.114 -1.606 -3.657 1.00 0.00 C ATOM 1419 C LEU A 91 -0.325 -2.971 -4.162 1.00 0.00 C ATOM 1420 O LEU A 91 0.316 -3.987 -3.888 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.890 -1.104 -2.616 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.991 -1.949 -1.342 1.00 0.00 C ATOM 1423 CD1 LEU A 91 0.335 -1.968 -0.598 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.100 -1.423 -0.443 1.00 0.00 C ATOM 0 H LEU A 91 -0.447 0.115 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 91 1.098 -1.691 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.620 -0.086 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.875 -1.056 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.233 -2.972 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.238 -2.574 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.106 -2.393 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.612 -0.950 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.159 -2.034 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.886 -0.390 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.051 -1.467 -0.974 1.00 0.00 H new ATOM 1436 N SER A 92 -1.415 -2.985 -4.917 1.00 0.00 N ATOM 1437 CA SER A 92 -1.923 -4.220 -5.495 1.00 0.00 C ATOM 1438 C SER A 92 -0.933 -4.786 -6.501 1.00 0.00 C ATOM 1439 O SER A 92 -0.777 -6.003 -6.620 1.00 0.00 O ATOM 1440 CB SER A 92 -3.290 -3.986 -6.145 1.00 0.00 C ATOM 1441 OG SER A 92 -3.256 -2.910 -7.071 1.00 0.00 O ATOM 0 H SER A 92 -1.964 -2.155 -5.143 1.00 0.00 H new ATOM 0 HA SER A 92 -2.048 -4.950 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.610 -4.895 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.029 -3.777 -5.372 1.00 0.00 H new ATOM 0 HG SER A 92 -2.362 -2.508 -7.073 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.260 -3.886 -7.212 1.00 0.00 N ATOM 1448 CA GLU A 93 0.789 -4.265 -8.146 1.00 0.00 C ATOM 1449 C GLU A 93 1.837 -5.080 -7.411 1.00 0.00 C ATOM 1450 O GLU A 93 2.114 -6.211 -7.775 1.00 0.00 O ATOM 1451 CB GLU A 93 1.418 -3.008 -8.763 1.00 0.00 C ATOM 1452 CG GLU A 93 2.186 -3.234 -10.053 1.00 0.00 C ATOM 1453 CD GLU A 93 3.633 -3.610 -9.833 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.326 -2.910 -9.060 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.090 -4.590 -10.446 1.00 0.00 O ATOM 0 H GLU A 93 -0.427 -2.881 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 93 0.368 -4.867 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.628 -2.282 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.092 -2.562 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.697 -4.022 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.142 -2.328 -10.657 1.00 0.00 H new ATOM 1462 N LEU A 94 2.356 -4.499 -6.334 1.00 0.00 N ATOM 1463 CA LEU A 94 3.399 -5.121 -5.526 1.00 0.00 C ATOM 1464 C LEU A 94 2.999 -6.539 -5.116 1.00 0.00 C ATOM 1465 O LEU A 94 3.778 -7.476 -5.269 1.00 0.00 O ATOM 1466 CB LEU A 94 3.660 -4.254 -4.281 1.00 0.00 C ATOM 1467 CG LEU A 94 5.028 -4.425 -3.601 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.258 -3.302 -2.603 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.139 -5.769 -2.895 1.00 0.00 C ATOM 0 H LEU A 94 2.065 -3.582 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 94 4.312 -5.192 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.548 -3.207 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.884 -4.470 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 94 5.791 -4.387 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.230 -3.432 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.233 -2.344 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.476 -3.324 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.119 -5.854 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.364 -5.844 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.013 -6.573 -3.621 1.00 0.00 H new ATOM 1481 N ILE A 95 1.775 -6.688 -4.625 1.00 0.00 N ATOM 1482 CA ILE A 95 1.300 -7.972 -4.109 1.00 0.00 C ATOM 1483 C ILE A 95 1.255 -9.043 -5.201 1.00 0.00 C ATOM 1484 O ILE A 95 1.809 -10.133 -5.042 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.102 -7.836 -3.474 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.072 -6.809 -2.337 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.593 -9.185 -2.960 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.427 -6.536 -1.719 1.00 0.00 C ATOM 0 H ILE A 95 1.089 -5.935 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 95 2.013 -8.282 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.796 -7.489 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.606 -7.162 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.338 -5.873 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.582 -9.067 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.648 -9.892 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.100 -9.562 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.322 -5.799 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.104 -6.152 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.832 -7.460 -1.307 1.00 0.00 H new ATOM 1500 N VAL A 96 0.604 -8.727 -6.311 1.00 0.00 N ATOM 1501 CA VAL A 96 0.428 -9.689 -7.397 1.00 0.00 C ATOM 1502 C VAL A 96 1.746 -9.904 -8.150 1.00 0.00 C ATOM 1503 O VAL A 96 2.043 -11.000 -8.625 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.673 -9.228 -8.381 1.00 0.00 C ATOM 1505 CG1 VAL A 96 -0.938 -10.288 -9.443 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.953 -8.896 -7.628 1.00 0.00 C ATOM 0 H VAL A 96 0.188 -7.813 -6.486 1.00 0.00 H new ATOM 0 HA VAL A 96 0.117 -10.634 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.321 -8.328 -8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.716 -9.937 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.024 -10.475 -10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.264 -11.211 -8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.718 -8.573 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.302 -9.781 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.758 -8.096 -6.914 1.00 0.00 H new ATOM 1516 N ASN A 97 2.532 -8.845 -8.247 1.00 0.00 N ATOM 1517 CA ASN A 97 3.819 -8.872 -8.930 1.00 0.00 C ATOM 1518 C ASN A 97 4.821 -9.734 -8.169 1.00 0.00 C ATOM 1519 O ASN A 97 5.547 -10.531 -8.764 1.00 0.00 O ATOM 1520 CB ASN A 97 4.302 -7.433 -9.048 1.00 0.00 C ATOM 1521 CG ASN A 97 5.671 -7.252 -9.653 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.164 -8.079 -10.418 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.265 -6.120 -9.331 1.00 0.00 N ATOM 0 H ASN A 97 2.295 -7.935 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 97 3.718 -9.315 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.583 -6.875 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.302 -6.986 -8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.180 -5.895 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.810 -5.469 -8.691 1.00 0.00 H new ATOM 1530 N ALA A 98 4.826 -9.596 -6.848 1.00 0.00 N ATOM 1531 CA ALA A 98 5.721 -10.373 -5.993 1.00 0.00 C ATOM 1532 C ALA A 98 5.410 -11.865 -6.057 1.00 0.00 C ATOM 1533 O ALA A 98 6.204 -12.692 -5.626 1.00 0.00 O ATOM 1534 CB ALA A 98 5.644 -9.884 -4.556 1.00 0.00 C ATOM 0 H ALA A 98 4.218 -8.951 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 98 6.735 -10.227 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.317 -10.474 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.936 -8.835 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.623 -9.992 -4.189 1.00 0.00 H new ATOM 1540 N ALA A 99 4.250 -12.207 -6.603 1.00 0.00 N ATOM 1541 CA ALA A 99 3.858 -13.604 -6.753 1.00 0.00 C ATOM 1542 C ALA A 99 4.704 -14.303 -7.819 1.00 0.00 C ATOM 1543 O ALA A 99 4.776 -15.530 -7.864 1.00 0.00 O ATOM 1544 CB ALA A 99 2.380 -13.708 -7.087 1.00 0.00 C ATOM 0 H ALA A 99 3.564 -11.537 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 99 4.035 -14.109 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.104 -14.757 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.793 -13.260 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.180 -13.182 -8.020 1.00 0.00 H new ATOM 1550 N LYS A 100 5.330 -13.511 -8.680 1.00 0.00 N ATOM 1551 CA LYS A 100 6.229 -14.038 -9.702 1.00 0.00 C ATOM 1552 C LYS A 100 7.668 -13.975 -9.216 1.00 0.00 C ATOM 1553 O LYS A 100 8.567 -14.582 -9.799 1.00 0.00 O ATOM 1554 CB LYS A 100 6.134 -13.225 -11.000 1.00 0.00 C ATOM 1555 CG LYS A 100 4.812 -13.336 -11.746 1.00 0.00 C ATOM 1556 CD LYS A 100 3.732 -12.465 -11.126 1.00 0.00 C ATOM 1557 CE LYS A 100 2.489 -12.420 -11.996 1.00 0.00 C ATOM 1558 NZ LYS A 100 1.392 -11.642 -11.363 1.00 0.00 N ATOM 0 H LYS A 100 5.232 -12.496 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 100 5.932 -15.069 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.312 -12.176 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.936 -13.543 -11.667 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.958 -13.046 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.483 -14.375 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.474 -12.850 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.115 -11.454 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.738 -11.977 -12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.146 -13.436 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.527 -12.219 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.664 -11.384 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.216 -10.778 -11.914 1.00 0.00 H new ATOM 1572 N LEU A 101 7.865 -13.237 -8.145 1.00 0.00 N ATOM 1573 CA LEU A 101 9.168 -12.820 -7.721 1.00 0.00 C ATOM 1574 C LEU A 101 9.612 -13.547 -6.446 1.00 0.00 C ATOM 1575 O LEU A 101 8.788 -13.914 -5.608 1.00 0.00 O ATOM 1576 CB LEU A 101 9.090 -11.312 -7.498 1.00 0.00 C ATOM 1577 CG LEU A 101 10.264 -10.703 -6.774 1.00 0.00 C ATOM 1578 CD1 LEU A 101 11.486 -10.659 -7.676 1.00 0.00 C ATOM 1579 CD2 LEU A 101 9.912 -9.318 -6.263 1.00 0.00 C ATOM 0 H LEU A 101 7.110 -12.910 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 101 9.913 -13.067 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.989 -10.823 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.183 -11.092 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 101 10.504 -11.330 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.322 -10.216 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.748 -11.671 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.266 -10.058 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.771 -8.893 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.643 -8.678 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.069 -9.387 -5.575 1.00 0.00 H new ATOM 1591 N GLU A 102 10.916 -13.778 -6.333 1.00 0.00 N ATOM 1592 CA GLU A 102 11.511 -14.349 -5.128 1.00 0.00 C ATOM 1593 C GLU A 102 12.968 -13.901 -5.059 1.00 0.00 C ATOM 1594 O GLU A 102 13.811 -14.399 -5.809 1.00 0.00 O ATOM 1595 CB GLU A 102 11.411 -15.882 -5.143 1.00 0.00 C ATOM 1596 CG GLU A 102 11.487 -16.533 -3.762 1.00 0.00 C ATOM 1597 CD GLU A 102 12.825 -16.342 -3.069 1.00 0.00 C ATOM 1598 OE1 GLU A 102 13.739 -17.161 -3.300 1.00 0.00 O ATOM 1599 OE2 GLU A 102 12.961 -15.381 -2.287 1.00 0.00 O ATOM 0 H GLU A 102 11.589 -13.575 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 102 10.973 -14.000 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.471 -16.168 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 102 12.214 -16.280 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.699 -16.120 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.289 -17.600 -3.862 1.00 0.00 H new ATOM 1606 N HIS A 103 13.250 -12.938 -4.178 1.00 0.00 N ATOM 1607 CA HIS A 103 14.569 -12.309 -4.119 1.00 0.00 C ATOM 1608 C HIS A 103 14.922 -11.697 -5.473 1.00 0.00 C ATOM 1609 O HIS A 103 14.038 -11.467 -6.293 1.00 0.00 O ATOM 1610 CB HIS A 103 15.638 -13.321 -3.688 1.00 0.00 C ATOM 1611 CG HIS A 103 15.866 -13.361 -2.207 1.00 0.00 C ATOM 1612 ND1 HIS A 103 17.122 -13.297 -1.644 1.00 0.00 N ATOM 1613 CD2 HIS A 103 14.997 -13.445 -1.173 1.00 0.00 C ATOM 1614 CE1 HIS A 103 17.016 -13.343 -0.329 1.00 0.00 C ATOM 1615 NE2 HIS A 103 15.736 -13.432 -0.017 1.00 0.00 N ATOM 0 H HIS A 103 12.582 -12.578 -3.497 1.00 0.00 H new ATOM 0 HA HIS A 103 14.539 -11.514 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 103 15.344 -14.314 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.577 -13.078 -4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.921 -13.510 -1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.837 -13.313 0.372 1.00 0.00 H new ATOM 0 HE2 HIS A 103 15.358 -13.483 0.929 1.00 0.00 H new ATOM 1624 N HIS A 104 16.205 -11.401 -5.691 1.00 0.00 N ATOM 1625 CA HIS A 104 16.680 -10.878 -6.984 1.00 0.00 C ATOM 1626 C HIS A 104 16.083 -9.499 -7.271 1.00 0.00 C ATOM 1627 O HIS A 104 16.151 -9.004 -8.397 1.00 0.00 O ATOM 1628 CB HIS A 104 16.320 -11.831 -8.139 1.00 0.00 C ATOM 1629 CG HIS A 104 16.929 -13.200 -8.048 1.00 0.00 C ATOM 1630 ND1 HIS A 104 17.105 -14.028 -6.990 1.00 0.00 N flip ATOM 1631 CD2 HIS A 104 17.400 -13.889 -9.144 1.00 0.00 C flip ATOM 1632 CE1 HIS A 104 17.668 -15.184 -7.461 1.00 0.00 C flip ATOM 1633 NE2 HIS A 104 17.837 -15.072 -8.765 1.00 0.00 N flip ATOM 0 H HIS A 104 16.938 -11.513 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 104 17.765 -10.795 -6.915 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.236 -11.935 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.632 -11.373 -9.078 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.409 -13.516 -10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 104 17.930 -16.045 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 104 18.239 -15.783 -9.377 1.00 0.00 H new ATOM 1642 N HIS A 105 15.522 -8.876 -6.247 1.00 0.00 N ATOM 1643 CA HIS A 105 14.817 -7.614 -6.404 1.00 0.00 C ATOM 1644 C HIS A 105 15.278 -6.647 -5.327 1.00 0.00 C ATOM 1645 O HIS A 105 15.738 -7.079 -4.265 1.00 0.00 O ATOM 1646 CB HIS A 105 13.301 -7.845 -6.313 1.00 0.00 C ATOM 1647 CG HIS A 105 12.459 -6.640 -6.628 1.00 0.00 C ATOM 1648 ND1 HIS A 105 12.034 -6.324 -7.902 1.00 0.00 N ATOM 1649 CD2 HIS A 105 11.945 -5.682 -5.818 1.00 0.00 C ATOM 1650 CE1 HIS A 105 11.302 -5.229 -7.861 1.00 0.00 C ATOM 1651 NE2 HIS A 105 11.232 -4.820 -6.610 1.00 0.00 N ATOM 0 H HIS A 105 15.542 -9.228 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 105 15.039 -7.188 -7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.029 -8.650 -6.996 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.060 -8.186 -5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.073 -5.611 -4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.838 -4.748 -8.709 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.728 -3.995 -6.284 1.00 0.00 H new ATOM 1660 N HIS A 106 15.174 -5.351 -5.623 1.00 0.00 N ATOM 1661 CA HIS A 106 15.596 -4.273 -4.719 1.00 0.00 C ATOM 1662 C HIS A 106 17.113 -4.124 -4.757 1.00 0.00 C ATOM 1663 O HIS A 106 17.639 -3.011 -4.789 1.00 0.00 O ATOM 1664 CB HIS A 106 15.102 -4.505 -3.283 1.00 0.00 C ATOM 1665 CG HIS A 106 15.179 -3.288 -2.414 1.00 0.00 C ATOM 1666 ND1 HIS A 106 14.068 -2.573 -2.032 1.00 0.00 N ATOM 1667 CD2 HIS A 106 16.238 -2.665 -1.846 1.00 0.00 C ATOM 1668 CE1 HIS A 106 14.438 -1.560 -1.271 1.00 0.00 C ATOM 1669 NE2 HIS A 106 15.749 -1.595 -1.141 1.00 0.00 N ATOM 0 H HIS A 106 14.791 -5.013 -6.506 1.00 0.00 H new ATOM 0 HA HIS A 106 15.141 -3.345 -5.066 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.069 -4.852 -3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 106 15.692 -5.302 -2.830 1.00 0.00 H new ATOM 0 HD1 HIS A 106 13.107 -2.792 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.274 -2.956 -1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 106 13.779 -0.827 -0.830 1.00 0.00 H new ATOM 1678 N HIS A 107 17.811 -5.247 -4.757 1.00 0.00 N ATOM 1679 CA HIS A 107 19.255 -5.257 -4.918 1.00 0.00 C ATOM 1680 C HIS A 107 19.687 -6.597 -5.499 1.00 0.00 C ATOM 1681 O HIS A 107 19.395 -7.649 -4.932 1.00 0.00 O ATOM 1682 CB HIS A 107 19.954 -5.014 -3.576 1.00 0.00 C ATOM 1683 CG HIS A 107 21.332 -4.430 -3.710 1.00 0.00 C ATOM 1684 ND1 HIS A 107 21.887 -3.600 -2.761 1.00 0.00 N ATOM 1685 CD2 HIS A 107 22.258 -4.540 -4.692 1.00 0.00 C ATOM 1686 CE1 HIS A 107 23.088 -3.220 -3.156 1.00 0.00 C ATOM 1687 NE2 HIS A 107 23.339 -3.777 -4.326 1.00 0.00 N ATOM 0 H HIS A 107 17.396 -6.172 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 107 19.541 -4.454 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.342 -4.343 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.020 -5.958 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 107 22.163 -5.121 -5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.753 -2.564 -2.613 1.00 0.00 H new ATOM 0 HE2 HIS A 107 24.195 -3.660 -4.869 1.00 0.00 H new ATOM 1696 N HIS A 108 20.350 -6.555 -6.644 1.00 0.00 N ATOM 1697 CA HIS A 108 20.852 -7.766 -7.278 1.00 0.00 C ATOM 1698 C HIS A 108 22.055 -7.433 -8.148 1.00 0.00 C ATOM 1699 O HIS A 108 21.949 -6.510 -8.979 1.00 0.00 O ATOM 1700 CB HIS A 108 19.750 -8.474 -8.098 1.00 0.00 C ATOM 1701 CG HIS A 108 19.269 -7.723 -9.309 1.00 0.00 C ATOM 1702 ND1 HIS A 108 19.299 -8.255 -10.577 1.00 0.00 N ATOM 1703 CD2 HIS A 108 18.735 -6.485 -9.438 1.00 0.00 C ATOM 1704 CE1 HIS A 108 18.808 -7.379 -11.434 1.00 0.00 C ATOM 1705 NE2 HIS A 108 18.457 -6.294 -10.770 1.00 0.00 N ATOM 1706 OXT HIS A 108 23.109 -8.083 -7.986 1.00 0.00 O ATOM 0 H HIS A 108 20.554 -5.696 -7.154 1.00 0.00 H new ATOM 0 HA HIS A 108 21.165 -8.459 -6.497 1.00 0.00 H new ATOM 0 HB2 HIS A 108 20.126 -9.446 -8.419 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.898 -8.662 -7.445 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.560 -5.778 -8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.710 -7.526 -12.499 1.00 0.00 H new ATOM 0 HE2 HIS A 108 18.047 -5.453 -11.178 1.00 0.00 H new TER 1715 HIS A 108