USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 77 CYS SG : rot 180:sc= -0.244 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.0383 USER MOD Set 2.1: A 72 ASN : amide:sc= 2.42 K(o=3.3,f=-4.8!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.843 K(o=3.3,f=1.7) USER MOD Set 3.1: A 42 HIS : no HE2:sc= 0.659 K(o=2.7,f=-5.6!) USER MOD Set 3.2: A 45 ASN : amide:sc= 2.01 K(o=2.7,f=-10!) USER MOD Set 4.1: A 13 THR OG1 : rot -140:sc= 0.683 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -154:sc= 1.02 (180deg=-1.03) USER MOD Single : A 5 ASN : amide:sc= 0.222 K(o=0.22,f=-3.4!) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 1.17 (180deg=0.561) USER MOD Single : A 19 TYR OH : rot -20:sc= 1.04 USER MOD Single : A 20 ASN : amide:sc= 0.368 K(o=0.37,f=-3.3) USER MOD Single : A 21 GLN : amide:sc= 0.48 K(o=0.48,f=-5.2!) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.3 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.0725 (180deg=-2.14!) USER MOD Single : A 26 SER OG : rot -128:sc= 1.29 USER MOD Single : A 41 GLN : amide:sc= 2.41 K(o=2.4,f=-5.6!) USER MOD Single : A 43 CYS SG : rot 170:sc=0.000698 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 47 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.35) USER MOD Single : A 49 MET CE :methyl -133:sc= 0 (180deg=-0.338) USER MOD Single : A 50 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.073) USER MOD Single : A 57 THR OG1 : rot 127:sc= 0.452 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 3.23 (180deg=2.88) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0638 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 81 THR OG1 : rot 68:sc= 1.92 USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -2.771 7.629 12.516 1.00 0.00 N ATOM 15 CA ALA A 2 -3.511 6.472 12.019 1.00 0.00 C ATOM 16 C ALA A 2 -4.993 6.855 11.908 1.00 0.00 C ATOM 17 O ALA A 2 -5.617 7.101 12.938 1.00 0.00 O ATOM 18 CB ALA A 2 -3.313 5.247 12.920 1.00 0.00 C ATOM 0 HA ALA A 2 -3.132 6.193 11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.878 4.405 12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.255 4.989 12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.665 5.475 13.926 1.00 0.00 H new ATOM 24 N PRO A 3 -5.550 6.986 10.693 1.00 0.00 N ATOM 25 CA PRO A 3 -6.943 7.367 10.509 1.00 0.00 C ATOM 26 C PRO A 3 -7.891 6.250 10.927 1.00 0.00 C ATOM 27 O PRO A 3 -7.504 5.090 11.030 1.00 0.00 O ATOM 28 CB PRO A 3 -7.112 7.699 9.023 1.00 0.00 C ATOM 29 CG PRO A 3 -5.897 7.079 8.327 1.00 0.00 C ATOM 30 CD PRO A 3 -4.860 6.843 9.425 1.00 0.00 C ATOM 0 HA PRO A 3 -7.190 8.224 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.042 7.286 8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.149 8.777 8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.164 6.144 7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.506 7.744 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.421 5.850 9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.044 7.561 9.346 1.00 0.00 H new ATOM 38 N ALA A 4 -9.164 6.608 11.119 1.00 0.00 N ATOM 39 CA ALA A 4 -10.208 5.623 11.332 1.00 0.00 C ATOM 40 C ALA A 4 -10.308 4.731 10.092 1.00 0.00 C ATOM 41 O ALA A 4 -10.264 3.506 10.175 1.00 0.00 O ATOM 42 CB ALA A 4 -11.536 6.328 11.625 1.00 0.00 C ATOM 0 H ALA A 4 -9.488 7.575 11.130 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.969 4.998 12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.316 5.583 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.432 6.942 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.806 6.961 10.780 1.00 0.00 H new ATOM 48 N ASN A 5 -10.366 5.365 8.920 1.00 0.00 N ATOM 49 CA ASN A 5 -10.361 4.720 7.610 1.00 0.00 C ATOM 50 C ASN A 5 -8.927 4.391 7.211 1.00 0.00 C ATOM 51 O ASN A 5 -8.492 4.681 6.103 1.00 0.00 O ATOM 52 CB ASN A 5 -11.040 5.603 6.548 1.00 0.00 C ATOM 53 CG ASN A 5 -10.679 7.080 6.670 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.983 7.727 7.669 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.985 7.614 5.678 1.00 0.00 N ATOM 0 H ASN A 5 -10.420 6.382 8.857 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.935 3.795 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.758 5.248 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.121 5.492 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.687 8.588 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.748 7.051 4.861 1.00 0.00 H new ATOM 62 N ALA A 6 -8.188 3.759 8.113 1.00 0.00 N ATOM 63 CA ALA A 6 -6.896 3.178 7.804 1.00 0.00 C ATOM 64 C ALA A 6 -7.090 1.776 7.246 1.00 0.00 C ATOM 65 O ALA A 6 -7.866 0.995 7.794 1.00 0.00 O ATOM 66 CB ALA A 6 -6.059 3.126 9.078 1.00 0.00 C ATOM 0 H ALA A 6 -8.473 3.636 9.085 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.382 3.785 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.085 2.690 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.925 4.135 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.568 2.515 9.823 1.00 0.00 H new ATOM 72 N VAL A 7 -6.366 1.438 6.179 1.00 0.00 N ATOM 73 CA VAL A 7 -6.234 0.051 5.785 1.00 0.00 C ATOM 74 C VAL A 7 -5.372 -0.640 6.834 1.00 0.00 C ATOM 75 O VAL A 7 -4.166 -0.393 6.932 1.00 0.00 O ATOM 76 CB VAL A 7 -5.616 -0.091 4.394 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.485 -1.571 4.020 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.473 0.600 3.331 1.00 0.00 C ATOM 0 H VAL A 7 -5.871 2.102 5.584 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.220 -0.411 5.728 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.634 0.380 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.044 -1.658 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.847 -2.075 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.471 -2.035 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.006 0.481 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.466 0.151 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.558 1.661 3.565 1.00 0.00 H new ATOM 88 N ALA A 8 -6.022 -1.508 7.601 1.00 0.00 N ATOM 89 CA ALA A 8 -5.394 -2.343 8.601 1.00 0.00 C ATOM 90 C ALA A 8 -4.674 -3.500 7.916 1.00 0.00 C ATOM 91 O ALA A 8 -5.147 -4.006 6.899 1.00 0.00 O ATOM 92 CB ALA A 8 -6.459 -2.877 9.561 1.00 0.00 C ATOM 0 H ALA A 8 -7.030 -1.649 7.537 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.668 -1.758 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.986 -3.506 10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.961 -2.041 10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.189 -3.464 9.004 1.00 0.00 H new ATOM 98 N ALA A 9 -3.548 -3.939 8.479 1.00 0.00 N ATOM 99 CA ALA A 9 -2.833 -5.121 8.007 1.00 0.00 C ATOM 100 C ALA A 9 -3.785 -6.303 7.773 1.00 0.00 C ATOM 101 O ALA A 9 -3.689 -6.991 6.760 1.00 0.00 O ATOM 102 CB ALA A 9 -1.747 -5.493 9.019 1.00 0.00 C ATOM 0 H ALA A 9 -3.106 -3.482 9.277 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.372 -4.887 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.211 -6.375 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.049 -4.663 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.207 -5.706 9.984 1.00 0.00 H new ATOM 108 N ASP A 10 -4.708 -6.524 8.712 1.00 0.00 N ATOM 109 CA ASP A 10 -5.672 -7.615 8.729 1.00 0.00 C ATOM 110 C ASP A 10 -7.016 -7.230 8.096 1.00 0.00 C ATOM 111 O ASP A 10 -7.986 -7.973 8.244 1.00 0.00 O ATOM 112 CB ASP A 10 -5.867 -8.053 10.190 1.00 0.00 C ATOM 113 CG ASP A 10 -6.425 -6.929 11.055 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.822 -5.833 10.997 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.424 -7.181 11.761 1.00 0.00 O ATOM 0 H ASP A 10 -4.804 -5.911 9.522 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.282 -8.435 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.544 -8.907 10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.913 -8.385 10.599 1.00 0.00 H new ATOM 120 N ASP A 11 -7.100 -6.109 7.364 1.00 0.00 N ATOM 121 CA ASP A 11 -8.300 -5.789 6.592 1.00 0.00 C ATOM 122 C ASP A 11 -8.597 -6.952 5.632 1.00 0.00 C ATOM 123 O ASP A 11 -7.689 -7.620 5.140 1.00 0.00 O ATOM 124 CB ASP A 11 -8.112 -4.438 5.881 1.00 0.00 C ATOM 125 CG ASP A 11 -9.194 -4.009 4.903 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.221 -4.702 4.720 1.00 0.00 O ATOM 127 OD2 ASP A 11 -8.992 -2.952 4.271 1.00 0.00 O ATOM 0 H ASP A 11 -6.355 -5.416 7.293 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.169 -5.676 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.021 -3.665 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.164 -4.469 5.344 1.00 0.00 H new ATOM 132 N ALA A 12 -9.871 -7.188 5.330 1.00 0.00 N ATOM 133 CA ALA A 12 -10.269 -8.239 4.406 1.00 0.00 C ATOM 134 C ALA A 12 -9.739 -7.881 3.021 1.00 0.00 C ATOM 135 O ALA A 12 -9.178 -8.711 2.303 1.00 0.00 O ATOM 136 CB ALA A 12 -11.793 -8.374 4.402 1.00 0.00 C ATOM 0 H ALA A 12 -10.651 -6.657 5.718 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.854 -9.200 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.087 -9.162 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.139 -8.625 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.241 -7.431 4.090 1.00 0.00 H new ATOM 142 N THR A 13 -9.890 -6.604 2.665 1.00 0.00 N ATOM 143 CA THR A 13 -9.351 -6.080 1.431 1.00 0.00 C ATOM 144 C THR A 13 -7.822 -6.207 1.450 1.00 0.00 C ATOM 145 O THR A 13 -7.222 -6.608 0.455 1.00 0.00 O ATOM 146 CB THR A 13 -9.819 -4.630 1.290 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.208 -4.527 1.569 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.555 -4.081 -0.115 1.00 0.00 C ATOM 0 H THR A 13 -10.389 -5.915 3.228 1.00 0.00 H new ATOM 0 HA THR A 13 -9.706 -6.641 0.566 1.00 0.00 H new ATOM 0 HB THR A 13 -9.249 -4.040 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.622 -3.901 0.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.902 -3.049 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.486 -4.117 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.089 -4.685 -0.848 1.00 0.00 H new ATOM 156 N ALA A 14 -7.180 -5.903 2.586 1.00 0.00 N ATOM 157 CA ALA A 14 -5.737 -6.045 2.690 1.00 0.00 C ATOM 158 C ALA A 14 -5.319 -7.477 2.406 1.00 0.00 C ATOM 159 O ALA A 14 -4.438 -7.705 1.586 1.00 0.00 O ATOM 160 CB ALA A 14 -5.214 -5.628 4.061 1.00 0.00 C ATOM 0 H ALA A 14 -7.638 -5.562 3.431 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.301 -5.379 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.131 -5.752 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.465 -4.583 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.671 -6.251 4.830 1.00 0.00 H new ATOM 166 N ILE A 15 -5.966 -8.435 3.065 1.00 0.00 N ATOM 167 CA ILE A 15 -5.713 -9.852 2.894 1.00 0.00 C ATOM 168 C ILE A 15 -5.804 -10.195 1.406 1.00 0.00 C ATOM 169 O ILE A 15 -4.856 -10.736 0.842 1.00 0.00 O ATOM 170 CB ILE A 15 -6.665 -10.641 3.804 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.122 -10.521 5.239 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.779 -12.111 3.383 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.127 -10.975 6.291 1.00 0.00 C ATOM 0 H ILE A 15 -6.697 -8.236 3.748 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.706 -10.134 3.203 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.672 -10.230 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.214 -11.117 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.844 -9.485 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.463 -12.630 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.159 -12.169 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.797 -12.581 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.689 -10.868 7.283 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.026 -10.363 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.386 -12.020 6.120 1.00 0.00 H new ATOM 185 N ALA A 16 -6.907 -9.816 0.752 1.00 0.00 N ATOM 186 CA ALA A 16 -7.074 -10.029 -0.683 1.00 0.00 C ATOM 187 C ALA A 16 -5.908 -9.458 -1.506 1.00 0.00 C ATOM 188 O ALA A 16 -5.502 -10.056 -2.500 1.00 0.00 O ATOM 189 CB ALA A 16 -8.409 -9.436 -1.141 1.00 0.00 C ATOM 0 H ALA A 16 -7.700 -9.358 1.200 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.075 -11.105 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.530 -9.597 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.225 -9.922 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.423 -8.367 -0.931 1.00 0.00 H new ATOM 195 N LEU A 17 -5.371 -8.305 -1.100 1.00 0.00 N ATOM 196 CA LEU A 17 -4.289 -7.609 -1.795 1.00 0.00 C ATOM 197 C LEU A 17 -2.909 -8.001 -1.257 1.00 0.00 C ATOM 198 O LEU A 17 -1.900 -7.561 -1.800 1.00 0.00 O ATOM 199 CB LEU A 17 -4.571 -6.101 -1.786 1.00 0.00 C ATOM 200 CG LEU A 17 -5.896 -5.728 -2.481 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.070 -4.208 -2.432 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.949 -6.187 -3.943 1.00 0.00 C ATOM 0 H LEU A 17 -5.685 -7.819 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.260 -7.924 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.597 -5.749 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.750 -5.581 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.699 -6.238 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.004 -3.933 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.093 -3.878 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.237 -3.730 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.904 -5.897 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.137 -5.720 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.843 -7.271 -3.988 1.00 0.00 H new ATOM 214 N LYS A 18 -2.838 -8.859 -0.234 1.00 0.00 N ATOM 215 CA LYS A 18 -1.616 -9.182 0.481 1.00 0.00 C ATOM 216 C LYS A 18 -0.930 -7.909 0.981 1.00 0.00 C ATOM 217 O LYS A 18 0.299 -7.814 0.997 1.00 0.00 O ATOM 218 CB LYS A 18 -0.695 -10.020 -0.407 1.00 0.00 C ATOM 219 CG LYS A 18 -1.392 -11.237 -1.026 1.00 0.00 C ATOM 220 CD LYS A 18 -1.777 -12.267 0.048 1.00 0.00 C ATOM 221 CE LYS A 18 -1.736 -13.692 -0.515 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.345 -14.169 -0.656 1.00 0.00 N ATOM 0 H LYS A 18 -3.654 -9.356 0.123 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.862 -9.778 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.300 -9.391 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.157 -10.359 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.286 -10.914 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.733 -11.702 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.095 -12.187 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.777 -12.049 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.288 -14.362 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.232 -13.717 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.339 -15.077 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.209 -13.470 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.076 -14.296 0.287 1.00 0.00 H new ATOM 236 N TYR A 19 -1.731 -6.917 1.380 1.00 0.00 N ATOM 237 CA TYR A 19 -1.192 -5.656 1.839 1.00 0.00 C ATOM 238 C TYR A 19 -0.518 -5.842 3.193 1.00 0.00 C ATOM 239 O TYR A 19 -0.973 -6.638 4.012 1.00 0.00 O ATOM 240 CB TYR A 19 -2.261 -4.555 1.874 1.00 0.00 C ATOM 241 CG TYR A 19 -1.991 -3.380 2.807 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.414 -3.453 4.147 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.333 -2.216 2.359 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.380 -2.316 4.964 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.221 -1.104 3.218 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.861 -1.114 4.467 1.00 0.00 C ATOM 247 OH TYR A 19 -2.022 0.045 5.169 1.00 0.00 O ATOM 0 H TYR A 19 -2.749 -6.972 1.391 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.439 -5.323 1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.386 -4.167 0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.210 -5.008 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.767 -4.392 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.917 -2.177 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.754 -2.366 5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.642 -0.244 2.915 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.764 -0.056 5.802 1.00 0.00 H new ATOM 257 N ASN A 20 0.516 -5.044 3.458 1.00 0.00 N ATOM 258 CA ASN A 20 0.873 -4.722 4.830 1.00 0.00 C ATOM 259 C ASN A 20 1.223 -3.246 4.927 1.00 0.00 C ATOM 260 O ASN A 20 1.720 -2.666 3.964 1.00 0.00 O ATOM 261 CB ASN A 20 1.985 -5.620 5.363 1.00 0.00 C ATOM 262 CG ASN A 20 2.220 -5.371 6.849 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.310 -5.004 7.587 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.462 -5.486 7.287 1.00 0.00 N ATOM 0 H ASN A 20 1.111 -4.616 2.749 1.00 0.00 H new ATOM 0 HA ASN A 20 0.012 -4.916 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.722 -6.666 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.905 -5.434 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.682 -5.268 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.200 -5.793 6.653 1.00 0.00 H new ATOM 271 N GLN A 21 0.948 -2.669 6.099 1.00 0.00 N ATOM 272 CA GLN A 21 1.282 -1.306 6.483 1.00 0.00 C ATOM 273 C GLN A 21 2.794 -1.114 6.475 1.00 0.00 C ATOM 274 O GLN A 21 3.285 -0.091 6.004 1.00 0.00 O ATOM 275 CB GLN A 21 0.764 -1.066 7.903 1.00 0.00 C ATOM 276 CG GLN A 21 -0.753 -0.867 7.950 1.00 0.00 C ATOM 277 CD GLN A 21 -1.292 -0.936 9.373 1.00 0.00 C ATOM 278 OE1 GLN A 21 -2.081 -1.818 9.705 1.00 0.00 O ATOM 279 NE2 GLN A 21 -0.860 -0.014 10.228 1.00 0.00 N ATOM 0 H GLN A 21 0.461 -3.171 6.841 1.00 0.00 H new ATOM 0 HA GLN A 21 0.829 -0.607 5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.035 -1.913 8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.255 -0.188 8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.006 0.099 7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.238 -1.630 7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.205 0.703 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.184 -0.024 11.195 1.00 0.00 H new ATOM 288 N ASP A 22 3.520 -2.093 7.027 1.00 0.00 N ATOM 289 CA ASP A 22 4.975 -2.127 6.952 1.00 0.00 C ATOM 290 C ASP A 22 5.380 -3.016 5.778 1.00 0.00 C ATOM 291 O ASP A 22 5.335 -4.246 5.844 1.00 0.00 O ATOM 292 CB ASP A 22 5.635 -2.472 8.299 1.00 0.00 C ATOM 293 CG ASP A 22 5.703 -3.947 8.646 1.00 0.00 C ATOM 294 OD1 ASP A 22 4.775 -4.434 9.334 1.00 0.00 O ATOM 295 OD2 ASP A 22 6.738 -4.600 8.359 1.00 0.00 O ATOM 0 H ASP A 22 3.112 -2.878 7.535 1.00 0.00 H new ATOM 0 HA ASP A 22 5.363 -1.129 6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.649 -2.072 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.090 -1.957 9.091 1.00 0.00 H new ATOM 300 N ALA A 23 5.747 -2.383 4.663 1.00 0.00 N ATOM 301 CA ALA A 23 6.175 -3.092 3.470 1.00 0.00 C ATOM 302 C ALA A 23 7.237 -4.151 3.791 1.00 0.00 C ATOM 303 O ALA A 23 7.221 -5.230 3.206 1.00 0.00 O ATOM 304 CB ALA A 23 6.670 -2.072 2.449 1.00 0.00 C ATOM 0 H ALA A 23 5.754 -1.367 4.568 1.00 0.00 H new ATOM 0 HA ALA A 23 5.331 -3.637 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.995 -2.589 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.862 -1.383 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.507 -1.514 2.869 1.00 0.00 H new ATOM 310 N THR A 24 8.129 -3.858 4.743 1.00 0.00 N ATOM 311 CA THR A 24 9.151 -4.757 5.256 1.00 0.00 C ATOM 312 C THR A 24 8.650 -6.191 5.457 1.00 0.00 C ATOM 313 O THR A 24 9.247 -7.115 4.911 1.00 0.00 O ATOM 314 CB THR A 24 9.716 -4.143 6.547 1.00 0.00 C ATOM 315 OG1 THR A 24 8.738 -3.327 7.172 1.00 0.00 O ATOM 316 CG2 THR A 24 10.905 -3.236 6.218 1.00 0.00 C ATOM 0 H THR A 24 8.154 -2.943 5.193 1.00 0.00 H new ATOM 0 HA THR A 24 9.944 -4.855 4.515 1.00 0.00 H new ATOM 0 HB THR A 24 10.015 -4.962 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.158 -3.883 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.299 -2.805 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.684 -3.820 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.579 -2.436 5.553 1.00 0.00 H new ATOM 324 N LYS A 25 7.574 -6.403 6.225 1.00 0.00 N ATOM 325 CA LYS A 25 7.043 -7.750 6.438 1.00 0.00 C ATOM 326 C LYS A 25 5.899 -8.096 5.478 1.00 0.00 C ATOM 327 O LYS A 25 5.134 -9.022 5.739 1.00 0.00 O ATOM 328 CB LYS A 25 6.600 -7.888 7.891 1.00 0.00 C ATOM 329 CG LYS A 25 7.801 -7.818 8.844 1.00 0.00 C ATOM 330 CD LYS A 25 7.408 -8.188 10.284 1.00 0.00 C ATOM 331 CE LYS A 25 6.188 -7.402 10.783 1.00 0.00 C ATOM 332 NZ LYS A 25 6.368 -5.951 10.605 1.00 0.00 N ATOM 0 H LYS A 25 7.059 -5.664 6.704 1.00 0.00 H new ATOM 0 HA LYS A 25 7.839 -8.464 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.892 -7.096 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.079 -8.836 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.582 -8.494 8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.220 -6.812 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.194 -9.255 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.253 -8.000 10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.299 -7.728 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.019 -7.622 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.437 -5.489 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.904 -5.566 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.890 -5.771 9.724 1.00 0.00 H new ATOM 346 N SER A 26 5.774 -7.376 4.364 1.00 0.00 N ATOM 347 CA SER A 26 4.877 -7.777 3.294 1.00 0.00 C ATOM 348 C SER A 26 5.478 -8.940 2.496 1.00 0.00 C ATOM 349 O SER A 26 6.616 -9.351 2.720 1.00 0.00 O ATOM 350 CB SER A 26 4.602 -6.587 2.373 1.00 0.00 C ATOM 351 OG SER A 26 3.528 -6.910 1.516 1.00 0.00 O ATOM 0 H SER A 26 6.285 -6.512 4.184 1.00 0.00 H new ATOM 0 HA SER A 26 3.937 -8.112 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.361 -5.702 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.491 -6.349 1.789 1.00 0.00 H new ATOM 0 HG SER A 26 3.786 -6.734 0.587 1.00 0.00 H new ATOM 357 N GLU A 27 4.728 -9.420 1.502 1.00 0.00 N ATOM 358 CA GLU A 27 5.172 -10.471 0.597 1.00 0.00 C ATOM 359 C GLU A 27 6.158 -9.945 -0.448 1.00 0.00 C ATOM 360 O GLU A 27 6.684 -10.736 -1.224 1.00 0.00 O ATOM 361 CB GLU A 27 3.963 -11.133 -0.082 1.00 0.00 C ATOM 362 CG GLU A 27 3.060 -11.797 0.963 1.00 0.00 C ATOM 363 CD GLU A 27 1.957 -12.655 0.363 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.663 -12.539 -0.850 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.355 -13.449 1.118 1.00 0.00 O ATOM 0 H GLU A 27 3.786 -9.083 1.304 1.00 0.00 H new ATOM 0 HA GLU A 27 5.699 -11.219 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.397 -10.386 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.304 -11.877 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.673 -12.415 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.609 -11.023 1.584 1.00 0.00 H new ATOM 372 N ARG A 28 6.410 -8.634 -0.502 1.00 0.00 N ATOM 373 CA ARG A 28 7.173 -8.002 -1.569 1.00 0.00 C ATOM 374 C ARG A 28 8.483 -8.717 -1.905 1.00 0.00 C ATOM 375 O ARG A 28 8.772 -8.947 -3.073 1.00 0.00 O ATOM 376 CB ARG A 28 7.378 -6.516 -1.264 1.00 0.00 C ATOM 377 CG ARG A 28 8.080 -6.216 0.060 1.00 0.00 C ATOM 378 CD ARG A 28 8.333 -4.713 0.161 1.00 0.00 C ATOM 379 NE ARG A 28 9.316 -4.394 1.216 1.00 0.00 N ATOM 380 CZ ARG A 28 9.781 -3.167 1.493 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.447 -2.117 0.745 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.658 -2.966 2.477 1.00 0.00 N ATOM 0 H ARG A 28 6.083 -7.977 0.207 1.00 0.00 H new ATOM 0 HA ARG A 28 6.578 -8.090 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.957 -6.072 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.405 -6.024 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.466 -6.551 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.022 -6.761 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.694 -4.340 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.395 -4.199 0.371 1.00 0.00 H new ATOM 0 HE ARG A 28 9.669 -5.168 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.827 -2.238 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.812 -1.192 0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.988 -3.754 3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.999 -2.025 2.672 1.00 0.00 H new ATOM 396 N VAL A 29 9.265 -9.085 -0.893 1.00 0.00 N ATOM 397 CA VAL A 29 10.525 -9.805 -1.053 1.00 0.00 C ATOM 398 C VAL A 29 10.300 -11.157 -1.736 1.00 0.00 C ATOM 399 O VAL A 29 11.070 -11.553 -2.606 1.00 0.00 O ATOM 400 CB VAL A 29 11.204 -9.909 0.325 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.772 -11.290 0.674 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.316 -8.865 0.457 1.00 0.00 C ATOM 0 H VAL A 29 9.035 -8.887 0.081 1.00 0.00 H new ATOM 0 HA VAL A 29 11.200 -9.263 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 29 10.400 -9.724 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.228 -11.256 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.968 -12.026 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.525 -11.571 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.784 -8.954 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.064 -9.030 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.893 -7.867 0.346 1.00 0.00 H new ATOM 412 N ALA A 30 9.244 -11.865 -1.334 1.00 0.00 N ATOM 413 CA ALA A 30 8.897 -13.167 -1.895 1.00 0.00 C ATOM 414 C ALA A 30 8.399 -13.016 -3.334 1.00 0.00 C ATOM 415 O ALA A 30 8.845 -13.723 -4.233 1.00 0.00 O ATOM 416 CB ALA A 30 7.850 -13.857 -1.010 1.00 0.00 C ATOM 0 H ALA A 30 8.603 -11.548 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 30 9.789 -13.794 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.597 -14.828 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.255 -13.995 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.954 -13.239 -0.957 1.00 0.00 H new ATOM 422 N ALA A 31 7.453 -12.099 -3.542 1.00 0.00 N ATOM 423 CA ALA A 31 6.823 -11.854 -4.830 1.00 0.00 C ATOM 424 C ALA A 31 7.828 -11.298 -5.843 1.00 0.00 C ATOM 425 O ALA A 31 7.792 -11.664 -7.015 1.00 0.00 O ATOM 426 CB ALA A 31 5.655 -10.884 -4.630 1.00 0.00 C ATOM 0 H ALA A 31 7.099 -11.495 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 31 6.451 -12.796 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.174 -10.692 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.932 -11.322 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.027 -9.947 -4.216 1.00 0.00 H new ATOM 432 N ALA A 32 8.690 -10.386 -5.384 1.00 0.00 N ATOM 433 CA ALA A 32 9.711 -9.691 -6.156 1.00 0.00 C ATOM 434 C ALA A 32 9.202 -9.251 -7.531 1.00 0.00 C ATOM 435 O ALA A 32 9.802 -9.565 -8.557 1.00 0.00 O ATOM 436 CB ALA A 32 10.977 -10.550 -6.239 1.00 0.00 C ATOM 0 H ALA A 32 8.689 -10.100 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 32 9.966 -8.768 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.736 -10.024 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.354 -10.740 -5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.743 -11.497 -6.724 1.00 0.00 H new ATOM 442 N ARG A 33 8.098 -8.493 -7.554 1.00 0.00 N ATOM 443 CA ARG A 33 7.597 -7.938 -8.804 1.00 0.00 C ATOM 444 C ARG A 33 8.683 -7.087 -9.472 1.00 0.00 C ATOM 445 O ARG A 33 9.392 -6.370 -8.767 1.00 0.00 O ATOM 446 CB ARG A 33 6.326 -7.125 -8.588 1.00 0.00 C ATOM 447 CG ARG A 33 5.150 -8.102 -8.633 1.00 0.00 C ATOM 448 CD ARG A 33 3.839 -7.344 -8.668 1.00 0.00 C ATOM 449 NE ARG A 33 3.697 -6.532 -9.891 1.00 0.00 N ATOM 450 CZ ARG A 33 2.730 -5.623 -10.091 1.00 0.00 C ATOM 451 NH1 ARG A 33 1.666 -5.598 -9.286 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.842 -4.725 -11.078 1.00 0.00 N ATOM 0 H ARG A 33 7.546 -8.256 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 33 7.341 -8.766 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.359 -6.607 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.222 -6.362 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.232 -8.741 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.177 -8.755 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.011 -8.050 -8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.773 -6.696 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 33 4.380 -6.671 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.589 -6.269 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.929 -4.908 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.664 -4.730 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.105 -4.036 -11.227 1.00 0.00 H new ATOM 466 N PRO A 34 8.825 -7.141 -10.804 1.00 0.00 N ATOM 467 CA PRO A 34 9.808 -6.341 -11.513 1.00 0.00 C ATOM 468 C PRO A 34 9.464 -4.854 -11.403 1.00 0.00 C ATOM 469 O PRO A 34 8.301 -4.486 -11.232 1.00 0.00 O ATOM 470 CB PRO A 34 9.767 -6.837 -12.963 1.00 0.00 C ATOM 471 CG PRO A 34 8.336 -7.356 -13.115 1.00 0.00 C ATOM 472 CD PRO A 34 8.031 -7.930 -11.731 1.00 0.00 C ATOM 0 HA PRO A 34 10.810 -6.446 -11.097 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.981 -6.035 -13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.501 -7.623 -13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.643 -6.558 -13.383 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.263 -8.116 -13.893 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.968 -7.856 -11.500 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.296 -8.986 -11.676 1.00 0.00 H new ATOM 480 N GLY A 35 10.489 -4.003 -11.507 1.00 0.00 N ATOM 481 CA GLY A 35 10.366 -2.557 -11.415 1.00 0.00 C ATOM 482 C GLY A 35 11.573 -1.992 -10.675 1.00 0.00 C ATOM 483 O GLY A 35 12.366 -1.248 -11.242 1.00 0.00 O ATOM 0 H GLY A 35 11.448 -4.315 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.301 -2.122 -12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.448 -2.292 -10.891 1.00 0.00 H new ATOM 487 N LEU A 36 11.704 -2.368 -9.404 1.00 0.00 N ATOM 488 CA LEU A 36 12.747 -1.941 -8.478 1.00 0.00 C ATOM 489 C LEU A 36 12.885 -3.095 -7.475 1.00 0.00 C ATOM 490 O LEU A 36 12.006 -3.960 -7.447 1.00 0.00 O ATOM 491 CB LEU A 36 12.321 -0.612 -7.821 1.00 0.00 C ATOM 492 CG LEU A 36 13.320 0.553 -7.914 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.667 0.937 -9.357 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.721 1.776 -7.209 1.00 0.00 C ATOM 0 H LEU A 36 11.047 -3.016 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 36 13.709 -1.746 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.383 -0.293 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.117 -0.803 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 36 14.243 0.224 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.376 1.765 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.112 0.081 -9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.760 1.239 -9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.421 2.609 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.785 2.053 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.531 1.536 -6.163 1.00 0.00 H new ATOM 506 N PRO A 37 13.958 -3.169 -6.677 1.00 0.00 N ATOM 507 CA PRO A 37 14.183 -4.282 -5.776 1.00 0.00 C ATOM 508 C PRO A 37 13.166 -4.185 -4.634 1.00 0.00 C ATOM 509 O PRO A 37 12.732 -3.078 -4.304 1.00 0.00 O ATOM 510 CB PRO A 37 15.639 -4.146 -5.326 1.00 0.00 C ATOM 511 CG PRO A 37 15.935 -2.649 -5.444 1.00 0.00 C ATOM 512 CD PRO A 37 14.901 -2.100 -6.432 1.00 0.00 C ATOM 0 HA PRO A 37 14.041 -5.266 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.773 -4.498 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.306 -4.734 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.852 -2.156 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.950 -2.477 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.397 -1.225 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.380 -1.785 -7.359 1.00 0.00 H new ATOM 520 N PRO A 38 12.739 -5.323 -4.055 1.00 0.00 N ATOM 521 CA PRO A 38 11.530 -5.392 -3.250 1.00 0.00 C ATOM 522 C PRO A 38 11.545 -4.347 -2.145 1.00 0.00 C ATOM 523 O PRO A 38 10.560 -3.645 -1.948 1.00 0.00 O ATOM 524 CB PRO A 38 11.409 -6.833 -2.742 1.00 0.00 C ATOM 525 CG PRO A 38 12.791 -7.441 -2.975 1.00 0.00 C ATOM 526 CD PRO A 38 13.379 -6.624 -4.127 1.00 0.00 C ATOM 0 HA PRO A 38 10.643 -5.153 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.137 -6.860 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.638 -7.381 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.411 -7.371 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.721 -8.498 -3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.461 -6.534 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.184 -7.103 -5.086 1.00 0.00 H new ATOM 534 N GLU A 39 12.673 -4.178 -1.460 1.00 0.00 N ATOM 535 CA GLU A 39 12.708 -3.289 -0.319 1.00 0.00 C ATOM 536 C GLU A 39 12.410 -1.817 -0.639 1.00 0.00 C ATOM 537 O GLU A 39 11.860 -1.111 0.216 1.00 0.00 O ATOM 538 CB GLU A 39 13.922 -3.576 0.562 1.00 0.00 C ATOM 539 CG GLU A 39 13.840 -5.016 1.119 1.00 0.00 C ATOM 540 CD GLU A 39 12.607 -5.207 2.003 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.584 -4.625 3.110 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.594 -5.751 1.513 1.00 0.00 O ATOM 0 H GLU A 39 13.557 -4.639 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 39 11.847 -3.522 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.838 -3.452 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.963 -2.861 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.809 -5.726 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.739 -5.236 1.695 1.00 0.00 H new ATOM 549 N GLU A 40 12.644 -1.368 -1.876 1.00 0.00 N ATOM 550 CA GLU A 40 12.257 -0.027 -2.301 1.00 0.00 C ATOM 551 C GLU A 40 10.778 0.058 -2.704 1.00 0.00 C ATOM 552 O GLU A 40 10.253 1.159 -2.876 1.00 0.00 O ATOM 553 CB GLU A 40 13.145 0.433 -3.458 1.00 0.00 C ATOM 554 CG GLU A 40 14.625 0.481 -3.069 1.00 0.00 C ATOM 555 CD GLU A 40 15.430 1.159 -4.168 1.00 0.00 C ATOM 556 OE1 GLU A 40 15.355 2.405 -4.226 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.069 0.421 -4.947 1.00 0.00 O ATOM 0 H GLU A 40 13.102 -1.920 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 40 12.395 0.635 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.015 -0.242 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.826 1.422 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.746 1.023 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.999 -0.529 -2.903 1.00 0.00 H new ATOM 564 N GLN A 41 10.092 -1.072 -2.879 1.00 0.00 N ATOM 565 CA GLN A 41 8.710 -1.093 -3.335 1.00 0.00 C ATOM 566 C GLN A 41 7.778 -0.755 -2.177 1.00 0.00 C ATOM 567 O GLN A 41 7.776 -1.467 -1.173 1.00 0.00 O ATOM 568 CB GLN A 41 8.339 -2.481 -3.870 1.00 0.00 C ATOM 569 CG GLN A 41 9.262 -2.977 -4.983 1.00 0.00 C ATOM 570 CD GLN A 41 8.750 -4.270 -5.611 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.673 -4.764 -5.274 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.525 -4.824 -6.533 1.00 0.00 N ATOM 0 H GLN A 41 10.484 -1.998 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 41 8.604 -0.357 -4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.360 -3.195 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.315 -2.455 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.349 -2.209 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.262 -3.140 -4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.410 -4.385 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.236 -5.689 -6.990 1.00 0.00 H new ATOM 581 N HIS A 42 6.955 0.283 -2.308 1.00 0.00 N ATOM 582 CA HIS A 42 5.862 0.541 -1.381 1.00 0.00 C ATOM 583 C HIS A 42 4.860 1.509 -2.019 1.00 0.00 C ATOM 584 O HIS A 42 5.146 2.052 -3.086 1.00 0.00 O ATOM 585 CB HIS A 42 6.388 0.995 -0.002 1.00 0.00 C ATOM 586 CG HIS A 42 7.694 1.747 0.027 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.172 2.583 -0.958 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.655 1.640 0.994 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.412 2.967 -0.611 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.724 2.411 0.577 1.00 0.00 N ATOM 0 H HIS A 42 7.029 0.967 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 42 5.321 -0.385 -1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.626 1.624 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.494 0.111 0.626 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.672 2.862 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.591 1.065 1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.054 3.615 -1.189 1.00 0.00 H new ATOM 599 N CYS A 43 3.695 1.707 -1.394 1.00 0.00 N ATOM 600 CA CYS A 43 2.617 2.554 -1.893 1.00 0.00 C ATOM 601 C CYS A 43 3.159 3.937 -2.297 1.00 0.00 C ATOM 602 O CYS A 43 2.779 4.490 -3.327 1.00 0.00 O ATOM 603 CB CYS A 43 1.494 2.642 -0.884 1.00 0.00 C ATOM 604 SG CYS A 43 0.697 1.040 -0.520 1.00 0.00 S ATOM 0 H CYS A 43 3.474 1.267 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 43 2.198 2.101 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.884 3.061 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.740 3.336 -1.255 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.098 1.173 0.500 1.00 0.00 H new ATOM 609 N ALA A 44 4.109 4.476 -1.522 1.00 0.00 N ATOM 610 CA ALA A 44 4.852 5.698 -1.835 1.00 0.00 C ATOM 611 C ALA A 44 5.225 5.822 -3.323 1.00 0.00 C ATOM 612 O ALA A 44 5.113 6.896 -3.918 1.00 0.00 O ATOM 613 CB ALA A 44 6.132 5.741 -0.994 1.00 0.00 C ATOM 0 H ALA A 44 4.388 4.059 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 44 4.195 6.535 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.688 6.650 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.872 5.733 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.747 4.871 -1.223 1.00 0.00 H new ATOM 619 N ASN A 45 5.706 4.721 -3.910 1.00 0.00 N ATOM 620 CA ASN A 45 6.120 4.632 -5.304 1.00 0.00 C ATOM 621 C ASN A 45 5.271 3.601 -6.049 1.00 0.00 C ATOM 622 O ASN A 45 5.782 2.916 -6.934 1.00 0.00 O ATOM 623 CB ASN A 45 7.638 4.385 -5.425 1.00 0.00 C ATOM 624 CG ASN A 45 8.181 3.170 -4.663 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.639 2.748 -3.646 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.316 2.629 -5.086 1.00 0.00 N ATOM 0 H ASN A 45 5.819 3.841 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 45 5.941 5.591 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.885 4.268 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.161 5.274 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.740 1.861 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.765 2.981 -5.932 1.00 0.00 H new ATOM 633 N CYS A 46 3.971 3.537 -5.731 1.00 0.00 N ATOM 634 CA CYS A 46 2.990 2.719 -6.430 1.00 0.00 C ATOM 635 C CYS A 46 2.137 3.577 -7.370 1.00 0.00 C ATOM 636 O CYS A 46 1.608 4.621 -6.986 1.00 0.00 O ATOM 637 CB CYS A 46 2.117 2.024 -5.436 1.00 0.00 C ATOM 638 SG CYS A 46 0.904 0.975 -6.257 1.00 0.00 S ATOM 0 H CYS A 46 3.569 4.069 -4.959 1.00 0.00 H new ATOM 0 HA CYS A 46 3.517 1.978 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.731 1.420 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.605 2.762 -4.819 1.00 0.00 H new ATOM 0 HG CYS A 46 0.165 0.386 -5.364 1.00 0.00 H new ATOM 643 N GLN A 47 2.026 3.131 -8.620 1.00 0.00 N ATOM 644 CA GLN A 47 1.323 3.767 -9.722 1.00 0.00 C ATOM 645 C GLN A 47 -0.099 4.167 -9.330 1.00 0.00 C ATOM 646 O GLN A 47 -0.626 5.154 -9.837 1.00 0.00 O ATOM 647 CB GLN A 47 1.329 2.785 -10.908 1.00 0.00 C ATOM 648 CG GLN A 47 1.086 3.441 -12.270 1.00 0.00 C ATOM 649 CD GLN A 47 2.314 4.201 -12.758 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.467 5.393 -12.505 1.00 0.00 O ATOM 651 NE2 GLN A 47 3.227 3.511 -13.430 1.00 0.00 N ATOM 0 H GLN A 47 2.458 2.252 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 47 1.827 4.693 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.289 2.269 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.564 2.027 -10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.818 2.677 -12.999 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.240 4.124 -12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.076 2.522 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.080 3.970 -13.749 1.00 0.00 H new ATOM 660 N PHE A 48 -0.720 3.384 -8.446 1.00 0.00 N ATOM 661 CA PHE A 48 -2.124 3.520 -8.102 1.00 0.00 C ATOM 662 C PHE A 48 -2.339 4.332 -6.819 1.00 0.00 C ATOM 663 O PHE A 48 -3.471 4.406 -6.343 1.00 0.00 O ATOM 664 CB PHE A 48 -2.734 2.113 -8.018 1.00 0.00 C ATOM 665 CG PHE A 48 -2.392 1.211 -9.197 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.580 1.669 -10.515 1.00 0.00 C ATOM 667 CD2 PHE A 48 -1.835 -0.064 -8.980 1.00 0.00 C ATOM 668 CE1 PHE A 48 -2.170 0.881 -11.605 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.468 -0.870 -10.072 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.611 -0.389 -11.383 1.00 0.00 C ATOM 0 H PHE A 48 -0.250 2.630 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.634 4.090 -8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.393 1.636 -7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.818 2.203 -7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.041 2.630 -10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.689 -0.424 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.285 1.252 -12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.075 -1.862 -9.902 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.292 -0.994 -12.219 1.00 0.00 H new ATOM 680 N MET A 49 -1.287 4.935 -6.251 1.00 0.00 N ATOM 681 CA MET A 49 -1.391 5.724 -5.027 1.00 0.00 C ATOM 682 C MET A 49 -1.889 7.145 -5.335 1.00 0.00 C ATOM 683 O MET A 49 -1.573 7.695 -6.388 1.00 0.00 O ATOM 684 CB MET A 49 -0.028 5.708 -4.324 1.00 0.00 C ATOM 685 CG MET A 49 -0.073 6.280 -2.900 1.00 0.00 C ATOM 686 SD MET A 49 0.056 8.078 -2.743 1.00 0.00 S ATOM 687 CE MET A 49 1.783 8.331 -3.192 1.00 0.00 C ATOM 0 H MET A 49 -0.342 4.887 -6.631 1.00 0.00 H new ATOM 0 HA MET A 49 -2.130 5.290 -4.353 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.341 4.683 -4.285 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.685 6.281 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.007 5.964 -2.436 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.737 5.829 -2.326 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.254 8.995 -2.467 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.302 7.372 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.839 8.779 -4.184 1.00 0.00 H new ATOM 697 N GLN A 50 -2.677 7.732 -4.425 1.00 0.00 N ATOM 698 CA GLN A 50 -3.238 9.078 -4.530 1.00 0.00 C ATOM 699 C GLN A 50 -2.933 9.866 -3.253 1.00 0.00 C ATOM 700 O GLN A 50 -3.351 9.481 -2.159 1.00 0.00 O ATOM 701 CB GLN A 50 -4.751 8.992 -4.747 1.00 0.00 C ATOM 702 CG GLN A 50 -5.072 8.240 -6.043 1.00 0.00 C ATOM 703 CD GLN A 50 -6.567 8.158 -6.326 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.012 8.461 -7.427 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.357 7.702 -5.357 1.00 0.00 N ATOM 0 H GLN A 50 -2.950 7.260 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.787 9.592 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.216 8.484 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.175 9.995 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.576 8.736 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.663 7.232 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.961 7.457 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.358 7.598 -5.522 1.00 0.00 H new ATOM 714 N ALA A 51 -2.203 10.974 -3.391 1.00 0.00 N ATOM 715 CA ALA A 51 -1.840 11.866 -2.292 1.00 0.00 C ATOM 716 C ALA A 51 -2.875 12.970 -2.090 1.00 0.00 C ATOM 717 O ALA A 51 -3.081 13.444 -0.976 1.00 0.00 O ATOM 718 CB ALA A 51 -0.431 12.418 -2.490 1.00 0.00 C ATOM 0 H ALA A 51 -1.840 11.282 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.836 11.283 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.180 13.080 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.281 11.594 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.387 12.975 -3.426 1.00 0.00 H new ATOM 724 N ASP A 52 -3.544 13.334 -3.180 1.00 0.00 N ATOM 725 CA ASP A 52 -4.688 14.225 -3.268 1.00 0.00 C ATOM 726 C ASP A 52 -5.921 13.678 -2.536 1.00 0.00 C ATOM 727 O ASP A 52 -6.853 14.435 -2.270 1.00 0.00 O ATOM 728 CB ASP A 52 -5.006 14.396 -4.760 1.00 0.00 C ATOM 729 CG ASP A 52 -5.219 13.045 -5.438 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.214 12.294 -5.496 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.369 12.768 -5.830 1.00 0.00 O ATOM 0 H ASP A 52 -3.274 12.982 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.442 15.172 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.900 15.009 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.190 14.927 -5.250 1.00 0.00 H new ATOM 736 N ALA A 53 -5.948 12.376 -2.223 1.00 0.00 N ATOM 737 CA ALA A 53 -7.091 11.722 -1.608 1.00 0.00 C ATOM 738 C ALA A 53 -7.518 12.434 -0.321 1.00 0.00 C ATOM 739 O ALA A 53 -6.813 12.380 0.685 1.00 0.00 O ATOM 740 CB ALA A 53 -6.746 10.257 -1.329 1.00 0.00 C ATOM 0 H ALA A 53 -5.163 11.747 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.934 11.771 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.601 9.763 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.500 9.756 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.891 10.207 -0.655 1.00 0.00 H new ATOM 746 N ALA A 54 -8.682 13.090 -0.345 1.00 0.00 N ATOM 747 CA ALA A 54 -9.228 13.774 0.817 1.00 0.00 C ATOM 748 C ALA A 54 -9.248 12.832 2.024 1.00 0.00 C ATOM 749 O ALA A 54 -9.807 11.741 1.949 1.00 0.00 O ATOM 750 CB ALA A 54 -10.634 14.288 0.507 1.00 0.00 C ATOM 0 H ALA A 54 -9.269 13.158 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.594 14.627 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.036 14.799 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.591 14.984 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.280 13.449 0.249 1.00 0.00 H new ATOM 756 N GLY A 55 -8.612 13.253 3.120 1.00 0.00 N ATOM 757 CA GLY A 55 -8.445 12.445 4.320 1.00 0.00 C ATOM 758 C GLY A 55 -7.003 11.967 4.495 1.00 0.00 C ATOM 759 O GLY A 55 -6.620 11.608 5.606 1.00 0.00 O ATOM 0 H GLY A 55 -8.194 14.180 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.742 13.027 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.109 11.582 4.271 1.00 0.00 H new ATOM 763 N ALA A 56 -6.199 11.960 3.425 1.00 0.00 N ATOM 764 CA ALA A 56 -4.777 11.655 3.493 1.00 0.00 C ATOM 765 C ALA A 56 -4.096 12.499 4.578 1.00 0.00 C ATOM 766 O ALA A 56 -4.359 13.696 4.679 1.00 0.00 O ATOM 767 CB ALA A 56 -4.147 11.919 2.124 1.00 0.00 C ATOM 0 H ALA A 56 -6.527 12.169 2.482 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.641 10.606 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.081 11.694 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.624 11.286 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.286 12.966 1.855 1.00 0.00 H new ATOM 773 N THR A 57 -3.244 11.872 5.395 1.00 0.00 N ATOM 774 CA THR A 57 -2.661 12.500 6.578 1.00 0.00 C ATOM 775 C THR A 57 -1.177 12.805 6.359 1.00 0.00 C ATOM 776 O THR A 57 -0.789 13.269 5.285 1.00 0.00 O ATOM 777 CB THR A 57 -2.942 11.654 7.832 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.195 10.459 7.779 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.426 11.301 7.968 1.00 0.00 C ATOM 0 H THR A 57 -2.940 10.909 5.251 1.00 0.00 H new ATOM 0 HA THR A 57 -3.140 13.464 6.748 1.00 0.00 H new ATOM 0 HB THR A 57 -2.652 12.251 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.671 10.364 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.577 10.704 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.013 12.217 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.746 10.731 7.096 1.00 0.00 H new ATOM 787 N ASP A 58 -0.338 12.490 7.347 1.00 0.00 N ATOM 788 CA ASP A 58 1.079 12.454 7.310 1.00 0.00 C ATOM 789 C ASP A 58 1.471 11.242 6.469 1.00 0.00 C ATOM 790 O ASP A 58 1.857 11.379 5.307 1.00 0.00 O ATOM 791 CB ASP A 58 1.550 12.317 8.772 1.00 0.00 C ATOM 792 CG ASP A 58 0.710 11.518 9.765 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.073 10.639 9.326 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.860 11.728 10.987 1.00 0.00 O ATOM 0 H ASP A 58 -0.692 12.234 8.268 1.00 0.00 H new ATOM 0 HA ASP A 58 1.532 13.343 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.544 11.871 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.660 13.324 9.175 1.00 0.00 H new ATOM 799 N GLU A 59 1.309 10.041 7.024 1.00 0.00 N ATOM 800 CA GLU A 59 1.820 8.829 6.440 1.00 0.00 C ATOM 801 C GLU A 59 0.782 8.243 5.501 1.00 0.00 C ATOM 802 O GLU A 59 1.096 7.343 4.726 1.00 0.00 O ATOM 803 CB GLU A 59 2.033 7.810 7.550 1.00 0.00 C ATOM 804 CG GLU A 59 2.822 8.243 8.784 1.00 0.00 C ATOM 805 CD GLU A 59 2.579 7.210 9.874 1.00 0.00 C ATOM 806 OE1 GLU A 59 2.709 6.009 9.549 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.163 7.639 10.972 1.00 0.00 O ATOM 0 H GLU A 59 0.811 9.895 7.902 1.00 0.00 H new ATOM 0 HA GLU A 59 2.746 9.049 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.052 7.471 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.539 6.947 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.885 8.313 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.502 9.231 9.115 1.00 0.00 H new ATOM 814 N TRP A 60 -0.475 8.678 5.639 1.00 0.00 N ATOM 815 CA TRP A 60 -1.573 7.918 5.094 1.00 0.00 C ATOM 816 C TRP A 60 -2.065 8.601 3.833 1.00 0.00 C ATOM 817 O TRP A 60 -2.111 9.837 3.791 1.00 0.00 O ATOM 818 CB TRP A 60 -2.623 7.722 6.173 1.00 0.00 C ATOM 819 CG TRP A 60 -2.131 6.946 7.357 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.415 7.445 8.389 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.263 5.518 7.630 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.109 6.441 9.272 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.658 5.247 8.889 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.851 4.424 6.963 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.699 3.990 9.497 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.828 3.136 7.528 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.329 2.934 8.828 1.00 0.00 C ATOM 0 H TRP A 60 -0.741 9.539 6.117 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.272 6.915 4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.973 8.698 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.482 7.206 5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.127 8.480 8.502 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.542 6.568 10.110 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.326 4.577 6.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.252 3.835 10.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.196 2.295 6.959 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.431 1.971 9.306 1.00 0.00 H new ATOM 838 N LYS A 61 -2.313 7.803 2.794 1.00 0.00 N ATOM 839 CA LYS A 61 -2.668 8.241 1.450 1.00 0.00 C ATOM 840 C LYS A 61 -3.742 7.315 0.881 1.00 0.00 C ATOM 841 O LYS A 61 -3.991 6.241 1.422 1.00 0.00 O ATOM 842 CB LYS A 61 -1.423 8.263 0.538 1.00 0.00 C ATOM 843 CG LYS A 61 -0.797 9.657 0.422 1.00 0.00 C ATOM 844 CD LYS A 61 0.160 10.028 1.556 1.00 0.00 C ATOM 845 CE LYS A 61 -0.021 11.490 1.997 1.00 0.00 C ATOM 846 NZ LYS A 61 -0.042 11.588 3.467 1.00 0.00 N ATOM 0 H LYS A 61 -2.269 6.787 2.874 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.063 9.256 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.680 7.567 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.700 7.910 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.259 9.720 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.597 10.397 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.010 9.368 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.188 9.871 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.790 12.099 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.950 11.887 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.266 12.564 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.765 10.944 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.890 11.325 3.846 1.00 0.00 H new ATOM 860 N GLY A 62 -4.390 7.730 -0.207 1.00 0.00 N ATOM 861 CA GLY A 62 -5.379 6.907 -0.879 1.00 0.00 C ATOM 862 C GLY A 62 -4.686 5.930 -1.819 1.00 0.00 C ATOM 863 O GLY A 62 -3.570 6.186 -2.268 1.00 0.00 O ATOM 0 H GLY A 62 -4.241 8.641 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.971 6.361 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.069 7.537 -1.440 1.00 0.00 H new ATOM 867 N CYS A 63 -5.373 4.835 -2.143 1.00 0.00 N ATOM 868 CA CYS A 63 -4.987 3.898 -3.183 1.00 0.00 C ATOM 869 C CYS A 63 -6.224 3.705 -4.063 1.00 0.00 C ATOM 870 O CYS A 63 -7.321 3.498 -3.544 1.00 0.00 O ATOM 871 CB CYS A 63 -4.488 2.626 -2.547 1.00 0.00 C ATOM 872 SG CYS A 63 -4.287 1.362 -3.821 1.00 0.00 S ATOM 0 H CYS A 63 -6.239 4.573 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.167 4.257 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.538 2.806 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.192 2.285 -1.788 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.854 0.263 -3.278 1.00 0.00 H new ATOM 877 N GLN A 64 -6.078 3.849 -5.384 1.00 0.00 N ATOM 878 CA GLN A 64 -7.190 3.825 -6.334 1.00 0.00 C ATOM 879 C GLN A 64 -8.045 2.574 -6.149 1.00 0.00 C ATOM 880 O GLN A 64 -9.271 2.636 -6.172 1.00 0.00 O ATOM 881 CB GLN A 64 -6.651 3.874 -7.769 1.00 0.00 C ATOM 882 CG GLN A 64 -6.091 5.259 -8.106 1.00 0.00 C ATOM 883 CD GLN A 64 -5.228 5.269 -9.362 1.00 0.00 C ATOM 884 OE1 GLN A 64 -5.045 4.249 -10.021 1.00 0.00 O ATOM 885 NE2 GLN A 64 -4.669 6.427 -9.697 1.00 0.00 N ATOM 0 H GLN A 64 -5.170 3.987 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.815 4.698 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.870 3.124 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.448 3.622 -8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.919 5.956 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.500 5.619 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.839 7.258 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.070 6.485 -10.521 1.00 0.00 H new ATOM 894 N LEU A 65 -7.386 1.434 -5.942 1.00 0.00 N ATOM 895 CA LEU A 65 -8.034 0.139 -5.786 1.00 0.00 C ATOM 896 C LEU A 65 -8.571 -0.053 -4.358 1.00 0.00 C ATOM 897 O LEU A 65 -8.941 -1.165 -3.990 1.00 0.00 O ATOM 898 CB LEU A 65 -7.012 -0.950 -6.152 1.00 0.00 C ATOM 899 CG LEU A 65 -6.590 -0.869 -7.633 1.00 0.00 C ATOM 900 CD1 LEU A 65 -5.118 -1.260 -7.794 1.00 0.00 C ATOM 901 CD2 LEU A 65 -7.470 -1.782 -8.494 1.00 0.00 C ATOM 0 H LEU A 65 -6.369 1.388 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.897 0.075 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.131 -0.849 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.440 -1.932 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.719 0.160 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.838 -1.197 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.495 -0.581 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.972 -2.280 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.157 -1.712 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.368 -2.812 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.511 -1.472 -8.406 1.00 0.00 H new ATOM 913 N PHE A 66 -8.605 1.012 -3.547 1.00 0.00 N ATOM 914 CA PHE A 66 -8.825 0.947 -2.110 1.00 0.00 C ATOM 915 C PHE A 66 -9.702 2.134 -1.682 1.00 0.00 C ATOM 916 O PHE A 66 -9.259 3.015 -0.949 1.00 0.00 O ATOM 917 CB PHE A 66 -7.429 0.944 -1.446 1.00 0.00 C ATOM 918 CG PHE A 66 -7.091 -0.240 -0.569 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.990 -0.686 0.414 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.810 -0.820 -0.661 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.642 -1.772 1.234 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.458 -1.891 0.173 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.403 -2.412 1.071 1.00 0.00 C ATOM 0 H PHE A 66 -8.476 1.964 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.358 0.048 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.679 1.008 -2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.337 1.849 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.944 -0.196 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.097 -0.438 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.330 -2.116 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.465 -2.313 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.177 -3.304 1.636 1.00 0.00 H new ATOM 933 N PRO A 67 -10.960 2.192 -2.147 1.00 0.00 N ATOM 934 CA PRO A 67 -11.802 3.360 -1.963 1.00 0.00 C ATOM 935 C PRO A 67 -12.212 3.529 -0.501 1.00 0.00 C ATOM 936 O PRO A 67 -12.380 2.553 0.230 1.00 0.00 O ATOM 937 CB PRO A 67 -13.011 3.150 -2.874 1.00 0.00 C ATOM 938 CG PRO A 67 -13.098 1.630 -3.015 1.00 0.00 C ATOM 939 CD PRO A 67 -11.642 1.167 -2.918 1.00 0.00 C ATOM 0 HA PRO A 67 -11.273 4.277 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.919 3.564 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.873 3.635 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.710 1.190 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.546 1.342 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.571 0.195 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.198 1.059 -3.907 1.00 0.00 H new ATOM 947 N GLY A 68 -12.351 4.783 -0.067 1.00 0.00 N ATOM 948 CA GLY A 68 -12.792 5.165 1.269 1.00 0.00 C ATOM 949 C GLY A 68 -11.667 5.040 2.296 1.00 0.00 C ATOM 950 O GLY A 68 -11.439 5.941 3.103 1.00 0.00 O ATOM 0 H GLY A 68 -12.151 5.588 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.156 6.192 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.630 4.535 1.569 1.00 0.00 H new ATOM 954 N LYS A 69 -10.978 3.902 2.271 1.00 0.00 N ATOM 955 CA LYS A 69 -9.880 3.610 3.175 1.00 0.00 C ATOM 956 C LYS A 69 -8.629 4.382 2.716 1.00 0.00 C ATOM 957 O LYS A 69 -8.580 4.874 1.590 1.00 0.00 O ATOM 958 CB LYS A 69 -9.609 2.095 3.216 1.00 0.00 C ATOM 959 CG LYS A 69 -10.869 1.229 3.042 1.00 0.00 C ATOM 960 CD LYS A 69 -10.628 -0.210 3.522 1.00 0.00 C ATOM 961 CE LYS A 69 -11.671 -1.181 2.941 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.406 -2.574 3.357 1.00 0.00 N ATOM 0 H LYS A 69 -11.173 3.149 1.611 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.142 3.928 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.896 1.842 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.138 1.846 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.695 1.668 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.165 1.220 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.628 -0.530 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.666 -0.243 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.667 -0.885 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.662 -1.117 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.801 -3.228 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.380 -2.725 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.850 -2.751 4.281 1.00 0.00 H new ATOM 976 N LEU A 70 -7.607 4.473 3.570 1.00 0.00 N ATOM 977 CA LEU A 70 -6.313 5.072 3.264 1.00 0.00 C ATOM 978 C LEU A 70 -5.223 4.044 3.561 1.00 0.00 C ATOM 979 O LEU A 70 -5.205 3.470 4.650 1.00 0.00 O ATOM 980 CB LEU A 70 -6.084 6.316 4.134 1.00 0.00 C ATOM 981 CG LEU A 70 -7.075 7.457 3.859 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.033 8.442 5.029 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.761 8.202 2.558 1.00 0.00 C ATOM 0 H LEU A 70 -7.663 4.119 4.525 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.287 5.367 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.154 6.031 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.070 6.681 3.970 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.067 7.019 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.733 9.257 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.310 7.927 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.025 8.845 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.490 8.998 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.761 8.632 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.808 7.507 1.720 1.00 0.00 H new ATOM 995 N ILE A 71 -4.317 3.817 2.611 1.00 0.00 N ATOM 996 CA ILE A 71 -3.120 3.026 2.840 1.00 0.00 C ATOM 997 C ILE A 71 -2.087 3.885 3.559 1.00 0.00 C ATOM 998 O ILE A 71 -2.248 5.101 3.662 1.00 0.00 O ATOM 999 CB ILE A 71 -2.584 2.437 1.520 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.292 3.436 0.383 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.599 1.419 0.994 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.167 4.436 0.653 1.00 0.00 C ATOM 0 H ILE A 71 -4.397 4.179 1.661 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.357 2.173 3.476 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.618 2.007 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.044 2.872 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.205 3.992 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.235 0.992 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.732 0.625 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.554 1.914 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.046 5.090 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.415 5.035 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.237 3.897 0.833 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.016 3.260 4.047 1.00 0.00 N ATOM 1015 CA ASN A 72 0.155 3.967 4.542 1.00 0.00 C ATOM 1016 C ASN A 72 1.199 3.945 3.429 1.00 0.00 C ATOM 1017 O ASN A 72 1.419 2.885 2.850 1.00 0.00 O ATOM 1018 CB ASN A 72 0.672 3.256 5.798 1.00 0.00 C ATOM 1019 CG ASN A 72 1.700 4.101 6.542 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.744 4.452 5.989 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.401 4.420 7.798 1.00 0.00 N ATOM 0 H ASN A 72 -0.940 2.245 4.108 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.076 4.998 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.164 3.034 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.119 2.302 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.050 4.981 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.523 4.104 8.209 1.00 0.00 H new ATOM 1028 N VAL A 73 1.842 5.077 3.118 1.00 0.00 N ATOM 1029 CA VAL A 73 2.846 5.171 2.050 1.00 0.00 C ATOM 1030 C VAL A 73 3.904 4.080 2.156 1.00 0.00 C ATOM 1031 O VAL A 73 4.432 3.597 1.155 1.00 0.00 O ATOM 1032 CB VAL A 73 3.544 6.541 2.074 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.529 7.620 1.746 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.257 6.870 3.395 1.00 0.00 C ATOM 0 H VAL A 73 1.680 5.959 3.603 1.00 0.00 H new ATOM 0 HA VAL A 73 2.308 5.043 1.111 1.00 0.00 H new ATOM 0 HB VAL A 73 4.333 6.500 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.016 8.595 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.112 7.438 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.728 7.603 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.721 7.854 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.533 6.869 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.024 6.121 3.591 1.00 0.00 H new ATOM 1044 N ASN A 74 4.232 3.745 3.400 1.00 0.00 N ATOM 1045 CA ASN A 74 5.255 2.765 3.755 1.00 0.00 C ATOM 1046 C ASN A 74 4.797 1.317 3.555 1.00 0.00 C ATOM 1047 O ASN A 74 5.591 0.403 3.788 1.00 0.00 O ATOM 1048 CB ASN A 74 5.625 2.954 5.231 1.00 0.00 C ATOM 1049 CG ASN A 74 6.220 4.321 5.519 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.346 4.621 5.134 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.450 5.153 6.202 1.00 0.00 N ATOM 0 H ASN A 74 3.780 4.160 4.214 1.00 0.00 H new ATOM 0 HA ASN A 74 6.105 2.934 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.735 2.814 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.338 2.184 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.786 6.089 6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.520 4.858 6.501 1.00 0.00 H new ATOM 1058 N GLY A 75 3.542 1.093 3.159 1.00 0.00 N ATOM 1059 CA GLY A 75 2.984 -0.232 2.956 1.00 0.00 C ATOM 1060 C GLY A 75 3.228 -0.720 1.537 1.00 0.00 C ATOM 1061 O GLY A 75 3.861 -0.035 0.742 1.00 0.00 O ATOM 0 H GLY A 75 2.879 1.845 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.430 -0.930 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.913 -0.213 3.158 1.00 0.00 H new ATOM 1065 N TRP A 76 2.759 -1.923 1.219 1.00 0.00 N ATOM 1066 CA TRP A 76 2.864 -2.526 -0.106 1.00 0.00 C ATOM 1067 C TRP A 76 1.666 -3.451 -0.238 1.00 0.00 C ATOM 1068 O TRP A 76 1.209 -3.930 0.799 1.00 0.00 O ATOM 1069 CB TRP A 76 4.170 -3.328 -0.193 1.00 0.00 C ATOM 1070 CG TRP A 76 4.469 -4.055 -1.477 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.380 -3.651 -2.387 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.026 -5.376 -1.933 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.557 -4.622 -3.348 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.727 -5.701 -3.133 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.160 -6.366 -1.422 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.577 -6.932 -3.788 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.047 -7.628 -2.033 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.755 -7.914 -3.213 1.00 0.00 C ATOM 0 H TRP A 76 2.283 -2.521 1.894 1.00 0.00 H new ATOM 0 HA TRP A 76 2.874 -1.780 -0.900 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.996 -2.644 0.003 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.165 -4.062 0.613 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.896 -2.703 -2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.219 -4.551 -4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.571 -6.150 -0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.086 -7.122 -4.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.412 -8.382 -1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.667 -8.886 -3.676 1.00 0.00 H new ATOM 1089 N CYS A 77 1.204 -3.704 -1.469 1.00 0.00 N ATOM 1090 CA CYS A 77 0.269 -4.768 -1.816 1.00 0.00 C ATOM 1091 C CYS A 77 0.719 -5.425 -3.129 1.00 0.00 C ATOM 1092 O CYS A 77 1.560 -4.875 -3.842 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.152 -4.258 -1.899 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.516 -3.548 -3.521 1.00 0.00 S ATOM 0 H CYS A 77 1.485 -3.149 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 77 0.276 -5.519 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.844 -5.075 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.314 -3.505 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.746 -3.127 -3.544 1.00 0.00 H new ATOM 1099 N ALA A 78 0.171 -6.601 -3.449 1.00 0.00 N ATOM 1100 CA ALA A 78 0.510 -7.377 -4.639 1.00 0.00 C ATOM 1101 C ALA A 78 0.404 -6.543 -5.917 1.00 0.00 C ATOM 1102 O ALA A 78 1.199 -6.691 -6.851 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.392 -8.611 -4.711 1.00 0.00 C ATOM 0 H ALA A 78 -0.539 -7.049 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 78 1.550 -7.692 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.142 -9.193 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.243 -9.223 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.434 -8.297 -4.765 1.00 0.00 H new ATOM 1109 N SER A 79 -0.588 -5.656 -5.963 1.00 0.00 N ATOM 1110 CA SER A 79 -0.829 -4.772 -7.083 1.00 0.00 C ATOM 1111 C SER A 79 0.327 -3.794 -7.327 1.00 0.00 C ATOM 1112 O SER A 79 0.425 -3.311 -8.458 1.00 0.00 O ATOM 1113 CB SER A 79 -2.159 -4.043 -6.879 1.00 0.00 C ATOM 1114 OG SER A 79 -3.099 -4.930 -6.301 1.00 0.00 O ATOM 0 H SER A 79 -1.257 -5.536 -5.202 1.00 0.00 H new ATOM 0 HA SER A 79 -0.891 -5.379 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.016 -3.176 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.532 -3.671 -7.833 1.00 0.00 H new ATOM 0 HG SER A 79 -3.951 -4.463 -6.168 1.00 0.00 H new ATOM 1120 N TRP A 80 1.214 -3.552 -6.345 1.00 0.00 N ATOM 1121 CA TRP A 80 2.335 -2.613 -6.445 1.00 0.00 C ATOM 1122 C TRP A 80 2.966 -2.574 -7.837 1.00 0.00 C ATOM 1123 O TRP A 80 3.450 -3.587 -8.334 1.00 0.00 O ATOM 1124 CB TRP A 80 3.433 -2.898 -5.413 1.00 0.00 C ATOM 1125 CG TRP A 80 4.522 -1.865 -5.443 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.506 -0.721 -4.728 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.693 -1.773 -6.314 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.546 0.092 -5.121 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.317 -0.506 -6.098 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.290 -2.624 -7.270 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.467 -0.110 -6.802 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.444 -2.238 -7.977 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.043 -0.990 -7.734 1.00 0.00 C ATOM 0 H TRP A 80 1.166 -4.018 -5.439 1.00 0.00 H new ATOM 0 HA TRP A 80 1.892 -1.639 -6.239 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.993 -2.930 -4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.862 -3.882 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.785 -0.479 -3.961 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.724 1.020 -4.738 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.851 -3.592 -7.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.904 0.862 -6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.872 -2.905 -8.711 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.942 -0.708 -8.261 1.00 0.00 H new ATOM 1144 N THR A 81 2.957 -1.400 -8.464 1.00 0.00 N ATOM 1145 CA THR A 81 3.448 -1.168 -9.812 1.00 0.00 C ATOM 1146 C THR A 81 4.261 0.118 -9.739 1.00 0.00 C ATOM 1147 O THR A 81 3.768 1.086 -9.182 1.00 0.00 O ATOM 1148 CB THR A 81 2.215 -1.056 -10.725 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.581 -2.325 -10.760 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.517 -0.588 -12.151 1.00 0.00 C ATOM 0 H THR A 81 2.592 -0.554 -8.026 1.00 0.00 H new ATOM 0 HA THR A 81 4.081 -1.960 -10.211 1.00 0.00 H new ATOM 0 HB THR A 81 1.571 -0.285 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.195 -2.522 -9.881 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.590 -0.539 -12.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.977 0.400 -12.120 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.200 -1.291 -12.628 1.00 0.00 H new ATOM 1158 N LEU A 82 5.499 0.137 -10.237 1.00 0.00 N ATOM 1159 CA LEU A 82 6.405 1.271 -10.078 1.00 0.00 C ATOM 1160 C LEU A 82 5.754 2.562 -10.599 1.00 0.00 C ATOM 1161 O LEU A 82 5.492 2.675 -11.796 1.00 0.00 O ATOM 1162 CB LEU A 82 7.711 0.950 -10.821 1.00 0.00 C ATOM 1163 CG LEU A 82 8.947 1.750 -10.370 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.085 1.464 -11.355 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.742 3.266 -10.320 1.00 0.00 C ATOM 0 H LEU A 82 5.901 -0.638 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 82 6.625 1.436 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.924 -0.112 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.555 1.126 -11.885 1.00 0.00 H new ATOM 0 HG LEU A 82 9.166 1.429 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.973 2.021 -11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.308 0.397 -11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.785 1.771 -12.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.664 3.747 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.475 3.630 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.941 3.502 -9.620 1.00 0.00 H new ATOM 1177 N LYS A 83 5.485 3.528 -9.715 1.00 0.00 N ATOM 1178 CA LYS A 83 4.905 4.802 -10.084 1.00 0.00 C ATOM 1179 C LYS A 83 5.811 5.559 -11.047 1.00 0.00 C ATOM 1180 O LYS A 83 6.999 5.751 -10.795 1.00 0.00 O ATOM 1181 CB LYS A 83 4.608 5.654 -8.844 1.00 0.00 C ATOM 1182 CG LYS A 83 3.842 6.932 -9.223 1.00 0.00 C ATOM 1183 CD LYS A 83 3.074 7.583 -8.063 1.00 0.00 C ATOM 1184 CE LYS A 83 3.802 7.612 -6.713 1.00 0.00 C ATOM 1185 NZ LYS A 83 5.132 8.250 -6.764 1.00 0.00 N ATOM 0 H LYS A 83 5.669 3.436 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 83 3.962 4.599 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.023 5.073 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.542 5.919 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.548 7.657 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.138 6.695 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.829 8.607 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.130 7.053 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.183 8.142 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.914 6.590 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.328 8.718 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.857 7.527 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.149 8.956 -7.528 1.00 0.00 H new