USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot 130:sc= 0.139 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -7.14! C(o=-7!,f=-11!) USER MOD Set 2.1: A 16 GLN : amide:sc= -0.156 K(o=-0.31,f=-2.3!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.158 USER MOD Set 3.1: A 10 HIS : no HD1:sc= -5.17! C(o=-5!,f=-2.3!) USER MOD Set 3.2: A 45 SER OG : rot -26:sc= 0.149 USER MOD Single : A 1 GLY N :NH3+ -105:sc= -0.31 (180deg=-1.63!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0742 X(o=-0.074,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= -0.416 (180deg=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 170:sc= -0.371 USER MOD Single : A 9 SER OG : rot 93:sc= 1.31 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0145 (180deg=-0.156) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0377) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= -0.43 (180deg=-1.86!) USER MOD Single : A 40 SER OG : rot 150:sc= -0.387 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -142:sc= -0.451 (180deg=-2.01!) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0.631 (180deg=0.215) USER MOD Single : A 49 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0842) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= -0.0416 (180deg=-0.0416) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0839 K(o=-0.084,f=-0.89) USER MOD Single : A 77 SER OG : rot 110:sc= -0.0568 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0477 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.972 -1.201 -4.533 1.00 74.24 N ATOM 2 CA GLY A 1 2.022 -0.777 -3.626 1.00 12.42 C ATOM 3 C GLY A 1 2.209 0.728 -3.620 1.00 63.54 C ATOM 4 O GLY A 1 1.812 1.420 -2.684 1.00 4.14 O ATOM 0 H1 GLY A 1 0.128 -1.468 -3.987 1.00 74.24 H new ATOM 0 H2 GLY A 1 0.734 -0.420 -5.178 1.00 74.24 H new ATOM 0 H3 GLY A 1 1.300 -2.019 -5.086 1.00 74.24 H new ATOM 0 HA2 GLY A 1 1.785 -1.115 -2.617 1.00 12.42 H new ATOM 0 HA3 GLY A 1 2.959 -1.256 -3.910 1.00 12.42 H new ATOM 8 N PRO A 2 2.830 1.254 -4.686 1.00 40.23 N ATOM 9 CA PRO A 2 3.086 2.691 -4.824 1.00 15.23 C ATOM 10 C PRO A 2 1.806 3.489 -5.052 1.00 34.35 C ATOM 11 O PRO A 2 1.041 3.202 -5.973 1.00 1.03 O ATOM 12 CB PRO A 2 3.994 2.775 -6.053 1.00 20.15 C ATOM 13 CG PRO A 2 3.673 1.554 -6.844 1.00 73.43 C ATOM 14 CD PRO A 2 3.330 0.488 -5.840 1.00 42.22 C ATOM 0 HA PRO A 2 3.528 3.114 -3.922 1.00 15.23 H new ATOM 0 HB2 PRO A 2 3.801 3.681 -6.627 1.00 20.15 H new ATOM 0 HB3 PRO A 2 5.046 2.797 -5.768 1.00 20.15 H new ATOM 0 HG2 PRO A 2 2.838 1.736 -7.521 1.00 73.43 H new ATOM 0 HG3 PRO A 2 4.521 1.253 -7.458 1.00 73.43 H new ATOM 0 HD2 PRO A 2 2.575 -0.198 -6.224 1.00 42.22 H new ATOM 0 HD3 PRO A 2 4.201 -0.112 -5.577 1.00 42.22 H new ATOM 22 N SER A 3 1.579 4.490 -4.207 1.00 72.53 N ATOM 23 CA SER A 3 0.389 5.325 -4.315 1.00 3.44 C ATOM 24 C SER A 3 0.630 6.493 -5.267 1.00 41.43 C ATOM 25 O SER A 3 1.070 7.565 -4.854 1.00 31.25 O ATOM 26 CB SER A 3 -0.017 5.853 -2.937 1.00 41.02 C ATOM 27 OG SER A 3 0.271 4.904 -1.924 1.00 12.43 O ATOM 0 H SER A 3 2.203 4.742 -3.441 1.00 72.53 H new ATOM 0 HA SER A 3 -0.419 4.712 -4.715 1.00 3.44 H new ATOM 0 HB2 SER A 3 0.512 6.783 -2.730 1.00 41.02 H new ATOM 0 HB3 SER A 3 -1.082 6.084 -2.932 1.00 41.02 H new ATOM 0 HG SER A 3 0.004 5.265 -1.053 1.00 12.43 H new ATOM 33 N ASN A 4 0.339 6.276 -6.545 1.00 72.54 N ATOM 34 CA ASN A 4 0.525 7.308 -7.558 1.00 75.24 C ATOM 35 C ASN A 4 -0.702 8.212 -7.644 1.00 40.03 C ATOM 36 O ASN A 4 -0.581 9.427 -7.808 1.00 33.22 O ATOM 37 CB ASN A 4 0.798 6.671 -8.923 1.00 22.34 C ATOM 38 CG ASN A 4 1.912 5.644 -8.868 1.00 2.11 C ATOM 39 OD1 ASN A 4 1.762 4.522 -9.351 1.00 42.30 O ATOM 40 ND2 ASN A 4 3.039 6.025 -8.275 1.00 75.14 N ATOM 0 H ASN A 4 -0.027 5.394 -6.904 1.00 72.54 H new ATOM 0 HA ASN A 4 1.384 7.914 -7.269 1.00 75.24 H new ATOM 0 HB2 ASN A 4 -0.113 6.196 -9.288 1.00 22.34 H new ATOM 0 HB3 ASN A 4 1.060 7.450 -9.639 1.00 22.34 H new ATOM 0 HD21 ASN A 4 3.824 5.377 -8.207 1.00 75.14 H new ATOM 0 HD22 ASN A 4 3.119 6.965 -7.888 1.00 75.14 H new ATOM 47 N LYS A 5 -1.882 7.612 -7.532 1.00 20.14 N ATOM 48 CA LYS A 5 -3.131 8.362 -7.594 1.00 22.33 C ATOM 49 C LYS A 5 -4.093 7.908 -6.502 1.00 31.25 C ATOM 50 O LYS A 5 -3.931 6.830 -5.927 1.00 53.14 O ATOM 51 CB LYS A 5 -3.784 8.191 -8.967 1.00 71.31 C ATOM 52 CG LYS A 5 -3.421 6.885 -9.655 1.00 11.32 C ATOM 53 CD LYS A 5 -4.094 6.764 -11.012 1.00 52.20 C ATOM 54 CE LYS A 5 -3.400 7.625 -12.057 1.00 14.34 C ATOM 55 NZ LYS A 5 -4.023 8.973 -12.169 1.00 34.42 N ATOM 0 H LYS A 5 -2.000 6.608 -7.398 1.00 20.14 H new ATOM 0 HA LYS A 5 -2.901 9.416 -7.436 1.00 22.33 H new ATOM 0 HB2 LYS A 5 -4.867 8.244 -8.854 1.00 71.31 H new ATOM 0 HB3 LYS A 5 -3.489 9.023 -9.606 1.00 71.31 H new ATOM 0 HG2 LYS A 5 -2.340 6.826 -9.778 1.00 11.32 H new ATOM 0 HG3 LYS A 5 -3.717 6.046 -9.025 1.00 11.32 H new ATOM 0 HD2 LYS A 5 -4.084 5.722 -11.333 1.00 52.20 H new ATOM 0 HD3 LYS A 5 -5.139 7.062 -10.929 1.00 52.20 H new ATOM 0 HE2 LYS A 5 -2.347 7.732 -11.798 1.00 14.34 H new ATOM 0 HE3 LYS A 5 -3.441 7.125 -13.025 1.00 14.34 H new ATOM 0 HZ1 LYS A 5 -3.280 9.688 -12.304 1.00 34.42 H new ATOM 0 HZ2 LYS A 5 -4.671 8.989 -12.982 1.00 34.42 H new ATOM 0 HZ3 LYS A 5 -4.553 9.184 -11.299 1.00 34.42 H new ATOM 69 N ILE A 6 -5.094 8.735 -6.219 1.00 40.02 N ATOM 70 CA ILE A 6 -6.083 8.416 -5.196 1.00 62.25 C ATOM 71 C ILE A 6 -7.428 9.061 -5.513 1.00 71.53 C ATOM 72 O ILE A 6 -7.490 10.116 -6.145 1.00 71.31 O ATOM 73 CB ILE A 6 -5.620 8.877 -3.803 1.00 12.33 C ATOM 74 CG1 ILE A 6 -5.367 10.387 -3.799 1.00 72.15 C ATOM 75 CG2 ILE A 6 -4.367 8.124 -3.384 1.00 53.00 C ATOM 76 CD1 ILE A 6 -5.610 11.037 -2.455 1.00 40.03 C ATOM 0 H ILE A 6 -5.242 9.631 -6.684 1.00 40.02 H new ATOM 0 HA ILE A 6 -6.195 7.332 -5.191 1.00 62.25 H new ATOM 0 HB ILE A 6 -6.409 8.657 -3.084 1.00 12.33 H new ATOM 0 HG12 ILE A 6 -4.338 10.575 -4.104 1.00 72.15 H new ATOM 0 HG13 ILE A 6 -6.011 10.857 -4.542 1.00 72.15 H new ATOM 0 HG21 ILE A 6 -4.053 8.462 -2.397 1.00 53.00 H new ATOM 0 HG22 ILE A 6 -4.579 7.055 -3.352 1.00 53.00 H new ATOM 0 HG23 ILE A 6 -3.570 8.314 -4.103 1.00 53.00 H new ATOM 0 HD11 ILE A 6 -5.411 12.106 -2.527 1.00 40.03 H new ATOM 0 HD12 ILE A 6 -6.647 10.880 -2.157 1.00 40.03 H new ATOM 0 HD13 ILE A 6 -4.947 10.594 -1.711 1.00 40.03 H new ATOM 88 N LYS A 7 -8.504 8.420 -5.069 1.00 41.45 N ATOM 89 CA LYS A 7 -9.850 8.932 -5.301 1.00 60.43 C ATOM 90 C LYS A 7 -10.096 10.202 -4.494 1.00 60.11 C ATOM 91 O LYS A 7 -9.605 10.341 -3.373 1.00 53.44 O ATOM 92 CB LYS A 7 -10.891 7.871 -4.934 1.00 12.32 C ATOM 93 CG LYS A 7 -11.862 7.556 -6.058 1.00 2.44 C ATOM 94 CD LYS A 7 -13.149 6.948 -5.529 1.00 35.40 C ATOM 95 CE LYS A 7 -14.370 7.718 -6.010 1.00 2.10 C ATOM 96 NZ LYS A 7 -14.965 7.107 -7.230 1.00 31.22 N ATOM 0 H LYS A 7 -8.470 7.545 -4.546 1.00 41.45 H new ATOM 0 HA LYS A 7 -9.943 9.173 -6.360 1.00 60.43 H new ATOM 0 HB2 LYS A 7 -10.377 6.955 -4.642 1.00 12.32 H new ATOM 0 HB3 LYS A 7 -11.453 8.211 -4.064 1.00 12.32 H new ATOM 0 HG2 LYS A 7 -12.089 8.468 -6.610 1.00 2.44 H new ATOM 0 HG3 LYS A 7 -11.395 6.866 -6.761 1.00 2.44 H new ATOM 0 HD2 LYS A 7 -13.222 5.910 -5.853 1.00 35.40 H new ATOM 0 HD3 LYS A 7 -13.128 6.941 -4.439 1.00 35.40 H new ATOM 0 HE2 LYS A 7 -15.117 7.747 -5.217 1.00 2.10 H new ATOM 0 HE3 LYS A 7 -14.089 8.750 -6.221 1.00 2.10 H new ATOM 0 HZ1 LYS A 7 -15.794 7.660 -7.526 1.00 31.22 H new ATOM 0 HZ2 LYS A 7 -14.260 7.103 -7.995 1.00 31.22 H new ATOM 0 HZ3 LYS A 7 -15.257 6.131 -7.022 1.00 31.22 H new ATOM 110 N CYS A 8 -10.857 11.125 -5.071 1.00 75.11 N ATOM 111 CA CYS A 8 -11.169 12.385 -4.405 1.00 21.44 C ATOM 112 C CYS A 8 -12.173 13.197 -5.217 1.00 20.44 C ATOM 113 O CYS A 8 -12.449 12.881 -6.374 1.00 43.34 O ATOM 114 CB CYS A 8 -9.893 13.200 -4.187 1.00 21.50 C ATOM 115 SG CYS A 8 -9.510 13.520 -2.449 1.00 44.21 S ATOM 0 H CYS A 8 -11.270 11.025 -5.998 1.00 75.11 H new ATOM 0 HA CYS A 8 -11.615 12.155 -3.437 1.00 21.44 H new ATOM 0 HB2 CYS A 8 -9.055 12.671 -4.641 1.00 21.50 H new ATOM 0 HB3 CYS A 8 -9.989 14.152 -4.708 1.00 21.50 H new ATOM 0 HG CYS A 8 -8.312 14.014 -2.353 1.00 44.21 H new ATOM 121 N SER A 9 -12.716 14.242 -4.602 1.00 75.23 N ATOM 122 CA SER A 9 -13.693 15.096 -5.266 1.00 75.23 C ATOM 123 C SER A 9 -13.364 16.569 -5.050 1.00 11.30 C ATOM 124 O SER A 9 -12.287 16.911 -4.562 1.00 44.42 O ATOM 125 CB SER A 9 -15.101 14.795 -4.747 1.00 75.34 C ATOM 126 OG SER A 9 -15.439 13.434 -4.949 1.00 74.24 O ATOM 0 H SER A 9 -12.496 14.518 -3.645 1.00 75.23 H new ATOM 0 HA SER A 9 -13.654 14.886 -6.335 1.00 75.23 H new ATOM 0 HB2 SER A 9 -15.159 15.034 -3.685 1.00 75.34 H new ATOM 0 HB3 SER A 9 -15.824 15.432 -5.257 1.00 75.34 H new ATOM 0 HG SER A 9 -15.215 12.919 -4.146 1.00 74.24 H new ATOM 132 N HIS A 10 -14.300 17.439 -5.416 1.00 41.13 N ATOM 133 CA HIS A 10 -14.110 18.877 -5.262 1.00 73.22 C ATOM 134 C HIS A 10 -15.417 19.627 -5.506 1.00 61.13 C ATOM 135 O HIS A 10 -16.260 19.185 -6.289 1.00 3.03 O ATOM 136 CB HIS A 10 -13.035 19.378 -6.227 1.00 70.53 C ATOM 137 CG HIS A 10 -13.323 19.060 -7.662 1.00 5.00 C ATOM 138 ND1 HIS A 10 -13.497 20.029 -8.627 1.00 42.32 N ATOM 139 CD2 HIS A 10 -13.464 17.871 -8.295 1.00 45.44 C ATOM 140 CE1 HIS A 10 -13.735 19.451 -9.790 1.00 54.22 C ATOM 141 NE2 HIS A 10 -13.720 18.142 -9.616 1.00 42.01 N ATOM 0 H HIS A 10 -15.198 17.173 -5.821 1.00 41.13 H new ATOM 0 HA HIS A 10 -13.787 19.067 -4.239 1.00 73.22 H new ATOM 0 HB2 HIS A 10 -12.933 20.458 -6.116 1.00 70.53 H new ATOM 0 HB3 HIS A 10 -12.077 18.938 -5.951 1.00 70.53 H new ATOM 0 HD2 HIS A 10 -13.389 16.892 -7.844 1.00 45.44 H new ATOM 0 HE1 HIS A 10 -13.912 19.962 -10.725 1.00 54.22 H new ATOM 0 HE2 HIS A 10 -13.874 17.445 -10.345 1.00 42.01 H new ATOM 149 N ILE A 11 -15.577 20.760 -4.832 1.00 54.05 N ATOM 150 CA ILE A 11 -16.781 21.570 -4.977 1.00 14.12 C ATOM 151 C ILE A 11 -16.466 23.055 -4.828 1.00 64.32 C ATOM 152 O ILE A 11 -15.980 23.496 -3.786 1.00 42.14 O ATOM 153 CB ILE A 11 -17.851 21.179 -3.941 1.00 24.41 C ATOM 154 CG1 ILE A 11 -18.362 19.762 -4.214 1.00 35.14 C ATOM 155 CG2 ILE A 11 -19.000 22.176 -3.963 1.00 32.13 C ATOM 156 CD1 ILE A 11 -19.288 19.236 -3.139 1.00 2.22 C ATOM 0 H ILE A 11 -14.889 21.138 -4.181 1.00 54.05 H new ATOM 0 HA ILE A 11 -17.169 21.381 -5.978 1.00 14.12 H new ATOM 0 HB ILE A 11 -17.399 21.198 -2.949 1.00 24.41 H new ATOM 0 HG12 ILE A 11 -18.885 19.751 -5.170 1.00 35.14 H new ATOM 0 HG13 ILE A 11 -17.510 19.089 -4.309 1.00 35.14 H new ATOM 0 HG21 ILE A 11 -19.748 21.886 -3.225 1.00 32.13 H new ATOM 0 HG22 ILE A 11 -18.623 23.171 -3.725 1.00 32.13 H new ATOM 0 HG23 ILE A 11 -19.453 22.187 -4.954 1.00 32.13 H new ATOM 0 HD11 ILE A 11 -19.611 18.228 -3.398 1.00 2.22 H new ATOM 0 HD12 ILE A 11 -18.762 19.214 -2.184 1.00 2.22 H new ATOM 0 HD13 ILE A 11 -20.159 19.886 -3.059 1.00 2.22 H new ATOM 168 N LEU A 12 -16.746 23.821 -5.876 1.00 53.13 N ATOM 169 CA LEU A 12 -16.494 25.258 -5.864 1.00 34.24 C ATOM 170 C LEU A 12 -17.773 26.032 -5.557 1.00 61.41 C ATOM 171 O LEU A 12 -18.839 25.725 -6.089 1.00 33.33 O ATOM 172 CB LEU A 12 -15.923 25.707 -7.210 1.00 4.34 C ATOM 173 CG LEU A 12 -14.401 25.647 -7.346 1.00 51.41 C ATOM 174 CD1 LEU A 12 -13.736 26.498 -6.275 1.00 23.11 C ATOM 175 CD2 LEU A 12 -13.915 24.209 -7.265 1.00 25.52 C ATOM 0 H LEU A 12 -17.148 23.471 -6.746 1.00 53.13 H new ATOM 0 HA LEU A 12 -15.767 25.468 -5.080 1.00 34.24 H new ATOM 0 HB2 LEU A 12 -16.363 25.089 -7.993 1.00 4.34 H new ATOM 0 HB3 LEU A 12 -16.244 26.732 -7.395 1.00 4.34 H new ATOM 0 HG LEU A 12 -14.126 26.047 -8.322 1.00 51.41 H new ATOM 0 HD11 LEU A 12 -12.653 26.443 -6.387 1.00 23.11 H new ATOM 0 HD12 LEU A 12 -14.060 27.533 -6.380 1.00 23.11 H new ATOM 0 HD13 LEU A 12 -14.018 26.128 -5.289 1.00 23.11 H new ATOM 0 HD21 LEU A 12 -12.830 24.186 -7.364 1.00 25.52 H new ATOM 0 HD22 LEU A 12 -14.201 23.782 -6.304 1.00 25.52 H new ATOM 0 HD23 LEU A 12 -14.365 23.627 -8.069 1.00 25.52 H new ATOM 187 N VAL A 13 -17.657 27.039 -4.697 1.00 43.11 N ATOM 188 CA VAL A 13 -18.802 27.860 -4.322 1.00 24.34 C ATOM 189 C VAL A 13 -18.439 29.341 -4.319 1.00 62.31 C ATOM 190 O VAL A 13 -17.329 29.720 -4.695 1.00 33.54 O ATOM 191 CB VAL A 13 -19.339 27.471 -2.931 1.00 50.33 C ATOM 192 CG1 VAL A 13 -19.780 26.016 -2.916 1.00 54.45 C ATOM 193 CG2 VAL A 13 -18.286 27.728 -1.864 1.00 11.43 C ATOM 0 H VAL A 13 -16.781 27.306 -4.247 1.00 43.11 H new ATOM 0 HA VAL A 13 -19.578 27.681 -5.066 1.00 24.34 H new ATOM 0 HB VAL A 13 -20.208 28.091 -2.710 1.00 50.33 H new ATOM 0 HG11 VAL A 13 -20.156 25.760 -1.925 1.00 54.45 H new ATOM 0 HG12 VAL A 13 -20.569 25.867 -3.653 1.00 54.45 H new ATOM 0 HG13 VAL A 13 -18.932 25.376 -3.158 1.00 54.45 H new ATOM 0 HG21 VAL A 13 -18.681 27.448 -0.888 1.00 11.43 H new ATOM 0 HG22 VAL A 13 -17.397 27.135 -2.079 1.00 11.43 H new ATOM 0 HG23 VAL A 13 -18.023 28.786 -1.859 1.00 11.43 H new ATOM 203 N SER A 14 -19.382 30.174 -3.893 1.00 53.03 N ATOM 204 CA SER A 14 -19.164 31.615 -3.844 1.00 50.35 C ATOM 205 C SER A 14 -19.162 32.117 -2.404 1.00 62.33 C ATOM 206 O SER A 14 -18.638 33.190 -2.107 1.00 45.33 O ATOM 207 CB SER A 14 -20.243 32.344 -4.648 1.00 32.52 C ATOM 208 OG SER A 14 -19.902 32.406 -6.023 1.00 24.53 O ATOM 0 H SER A 14 -20.305 29.876 -3.577 1.00 53.03 H new ATOM 0 HA SER A 14 -18.189 31.824 -4.284 1.00 50.35 H new ATOM 0 HB2 SER A 14 -21.197 31.831 -4.530 1.00 32.52 H new ATOM 0 HB3 SER A 14 -20.373 33.353 -4.257 1.00 32.52 H new ATOM 0 HG SER A 14 -20.608 32.875 -6.514 1.00 24.53 H new ATOM 214 N LYS A 15 -19.752 31.330 -1.510 1.00 74.24 N ATOM 215 CA LYS A 15 -19.819 31.691 -0.099 1.00 25.30 C ATOM 216 C LYS A 15 -19.413 30.514 0.783 1.00 54.15 C ATOM 217 O LYS A 15 -19.619 29.356 0.420 1.00 1.24 O ATOM 218 CB LYS A 15 -21.231 32.152 0.265 1.00 34.41 C ATOM 219 CG LYS A 15 -22.300 31.107 -0.004 1.00 31.40 C ATOM 220 CD LYS A 15 -23.639 31.748 -0.327 1.00 12.33 C ATOM 221 CE LYS A 15 -24.226 32.454 0.886 1.00 5.23 C ATOM 222 NZ LYS A 15 -25.701 32.622 0.771 1.00 2.42 N ATOM 0 H LYS A 15 -20.191 30.438 -1.738 1.00 74.24 H new ATOM 0 HA LYS A 15 -19.121 32.510 0.074 1.00 25.30 H new ATOM 0 HB2 LYS A 15 -21.255 32.421 1.321 1.00 34.41 H new ATOM 0 HB3 LYS A 15 -21.466 33.054 -0.299 1.00 34.41 H new ATOM 0 HG2 LYS A 15 -21.989 30.473 -0.835 1.00 31.40 H new ATOM 0 HG3 LYS A 15 -22.406 30.461 0.868 1.00 31.40 H new ATOM 0 HD2 LYS A 15 -23.515 32.463 -1.140 1.00 12.33 H new ATOM 0 HD3 LYS A 15 -24.334 30.985 -0.677 1.00 12.33 H new ATOM 0 HE2 LYS A 15 -23.995 31.883 1.785 1.00 5.23 H new ATOM 0 HE3 LYS A 15 -23.757 33.431 0.999 1.00 5.23 H new ATOM 0 HZ1 LYS A 15 -26.062 33.107 1.617 1.00 2.42 H new ATOM 0 HZ2 LYS A 15 -25.921 33.188 -0.073 1.00 2.42 H new ATOM 0 HZ3 LYS A 15 -26.151 31.688 0.689 1.00 2.42 H new ATOM 236 N GLN A 16 -18.838 30.819 1.941 1.00 33.34 N ATOM 237 CA GLN A 16 -18.405 29.785 2.875 1.00 73.33 C ATOM 238 C GLN A 16 -19.593 28.967 3.369 1.00 14.04 C ATOM 239 O GLN A 16 -19.449 27.799 3.731 1.00 23.30 O ATOM 240 CB GLN A 16 -17.674 30.414 4.063 1.00 73.55 C ATOM 241 CG GLN A 16 -16.204 30.692 3.793 1.00 24.32 C ATOM 242 CD GLN A 16 -15.371 30.706 5.060 1.00 72.45 C ATOM 243 OE1 GLN A 16 -15.759 30.133 6.078 1.00 34.21 O ATOM 244 NE2 GLN A 16 -14.219 31.364 5.003 1.00 20.52 N ATOM 0 H GLN A 16 -18.661 31.773 2.256 1.00 33.34 H new ATOM 0 HA GLN A 16 -17.721 29.119 2.349 1.00 73.33 H new ATOM 0 HB2 GLN A 16 -18.169 31.348 4.331 1.00 73.55 H new ATOM 0 HB3 GLN A 16 -17.758 29.750 4.924 1.00 73.55 H new ATOM 0 HG2 GLN A 16 -15.813 29.934 3.114 1.00 24.32 H new ATOM 0 HG3 GLN A 16 -16.107 31.653 3.288 1.00 24.32 H new ATOM 0 HE21 GLN A 16 -13.937 31.825 4.138 1.00 20.52 H new ATOM 0 HE22 GLN A 16 -13.616 31.409 5.825 1.00 20.52 H new ATOM 253 N SER A 17 -20.768 29.588 3.384 1.00 35.13 N ATOM 254 CA SER A 17 -21.981 28.918 3.839 1.00 13.50 C ATOM 255 C SER A 17 -22.316 27.730 2.942 1.00 64.31 C ATOM 256 O SER A 17 -23.072 26.840 3.329 1.00 52.51 O ATOM 257 CB SER A 17 -23.154 29.901 3.861 1.00 72.31 C ATOM 258 OG SER A 17 -22.779 31.130 4.457 1.00 34.03 O ATOM 0 H SER A 17 -20.906 30.554 3.086 1.00 35.13 H new ATOM 0 HA SER A 17 -21.805 28.549 4.850 1.00 13.50 H new ATOM 0 HB2 SER A 17 -23.503 30.078 2.844 1.00 72.31 H new ATOM 0 HB3 SER A 17 -23.987 29.465 4.412 1.00 72.31 H new ATOM 0 HG SER A 17 -23.545 31.741 4.457 1.00 34.03 H new ATOM 264 N GLU A 18 -21.744 27.724 1.742 1.00 24.04 N ATOM 265 CA GLU A 18 -21.982 26.646 0.789 1.00 4.31 C ATOM 266 C GLU A 18 -20.851 25.622 0.834 1.00 41.02 C ATOM 267 O GLU A 18 -21.093 24.415 0.862 1.00 52.44 O ATOM 268 CB GLU A 18 -22.119 27.208 -0.628 1.00 30.04 C ATOM 269 CG GLU A 18 -23.336 28.099 -0.812 1.00 52.15 C ATOM 270 CD GLU A 18 -24.597 27.309 -1.103 1.00 14.34 C ATOM 271 OE1 GLU A 18 -25.099 26.632 -0.182 1.00 35.21 O ATOM 272 OE2 GLU A 18 -25.084 27.369 -2.252 1.00 62.21 O ATOM 0 H GLU A 18 -21.113 28.452 1.407 1.00 24.04 H new ATOM 0 HA GLU A 18 -22.912 26.149 1.066 1.00 4.31 H new ATOM 0 HB2 GLU A 18 -21.222 27.777 -0.873 1.00 30.04 H new ATOM 0 HB3 GLU A 18 -22.175 26.380 -1.335 1.00 30.04 H new ATOM 0 HG2 GLU A 18 -23.485 28.695 0.088 1.00 52.15 H new ATOM 0 HG3 GLU A 18 -23.151 28.796 -1.629 1.00 52.15 H new ATOM 279 N ALA A 19 -19.616 26.113 0.840 1.00 34.51 N ATOM 280 CA ALA A 19 -18.448 25.241 0.882 1.00 14.03 C ATOM 281 C ALA A 19 -18.349 24.521 2.223 1.00 72.54 C ATOM 282 O ALA A 19 -18.197 23.299 2.273 1.00 0.21 O ATOM 283 CB ALA A 19 -17.182 26.042 0.617 1.00 32.40 C ATOM 0 H ALA A 19 -19.398 27.109 0.816 1.00 34.51 H new ATOM 0 HA ALA A 19 -18.559 24.488 0.102 1.00 14.03 H new ATOM 0 HB1 ALA A 19 -16.318 25.379 0.651 1.00 32.40 H new ATOM 0 HB2 ALA A 19 -17.244 26.506 -0.367 1.00 32.40 H new ATOM 0 HB3 ALA A 19 -17.075 26.816 1.377 1.00 32.40 H new ATOM 289 N LEU A 20 -18.436 25.283 3.307 1.00 13.11 N ATOM 290 CA LEU A 20 -18.357 24.717 4.649 1.00 1.33 C ATOM 291 C LEU A 20 -19.597 23.888 4.966 1.00 14.42 C ATOM 292 O LEU A 20 -19.633 23.160 5.957 1.00 4.42 O ATOM 293 CB LEU A 20 -18.196 25.831 5.685 1.00 44.45 C ATOM 294 CG LEU A 20 -17.555 25.426 7.013 1.00 32.12 C ATOM 295 CD1 LEU A 20 -16.039 25.428 6.897 1.00 60.23 C ATOM 296 CD2 LEU A 20 -18.008 26.356 8.129 1.00 20.10 C ATOM 0 H LEU A 20 -18.561 26.295 3.283 1.00 13.11 H new ATOM 0 HA LEU A 20 -17.486 24.063 4.689 1.00 1.33 H new ATOM 0 HB2 LEU A 20 -17.596 26.627 5.243 1.00 44.45 H new ATOM 0 HB3 LEU A 20 -19.180 26.251 5.893 1.00 44.45 H new ATOM 0 HG LEU A 20 -17.878 24.414 7.257 1.00 32.12 H new ATOM 0 HD11 LEU A 20 -15.601 25.137 7.852 1.00 60.23 H new ATOM 0 HD12 LEU A 20 -15.732 24.721 6.126 1.00 60.23 H new ATOM 0 HD13 LEU A 20 -15.696 26.427 6.630 1.00 60.23 H new ATOM 0 HD21 LEU A 20 -17.542 26.053 9.067 1.00 20.10 H new ATOM 0 HD22 LEU A 20 -17.715 27.379 7.892 1.00 20.10 H new ATOM 0 HD23 LEU A 20 -19.092 26.303 8.229 1.00 20.10 H new ATOM 308 N ALA A 21 -20.613 24.004 4.116 1.00 41.04 N ATOM 309 CA ALA A 21 -21.853 23.263 4.303 1.00 61.33 C ATOM 310 C ALA A 21 -21.711 21.824 3.818 1.00 71.25 C ATOM 311 O ALA A 21 -22.621 21.010 3.982 1.00 15.24 O ATOM 312 CB ALA A 21 -22.997 23.955 3.576 1.00 0.14 C ATOM 0 H ALA A 21 -20.601 24.604 3.292 1.00 41.04 H new ATOM 0 HA ALA A 21 -22.075 23.240 5.370 1.00 61.33 H new ATOM 0 HB1 ALA A 21 -23.917 23.390 3.725 1.00 0.14 H new ATOM 0 HB2 ALA A 21 -23.122 24.963 3.971 1.00 0.14 H new ATOM 0 HB3 ALA A 21 -22.772 24.008 2.511 1.00 0.14 H new ATOM 318 N ILE A 22 -20.565 21.516 3.219 1.00 52.03 N ATOM 319 CA ILE A 22 -20.306 20.175 2.711 1.00 23.11 C ATOM 320 C ILE A 22 -19.941 19.220 3.842 1.00 20.21 C ATOM 321 O ILE A 22 -20.057 18.003 3.702 1.00 72.21 O ATOM 322 CB ILE A 22 -19.170 20.178 1.670 1.00 40.02 C ATOM 323 CG1 ILE A 22 -19.511 21.120 0.513 1.00 32.34 C ATOM 324 CG2 ILE A 22 -18.919 18.768 1.156 1.00 1.14 C ATOM 325 CD1 ILE A 22 -20.804 20.769 -0.190 1.00 32.33 C ATOM 0 H ILE A 22 -19.802 22.177 3.074 1.00 52.03 H new ATOM 0 HA ILE A 22 -21.225 19.835 2.234 1.00 23.11 H new ATOM 0 HB ILE A 22 -18.259 20.537 2.149 1.00 40.02 H new ATOM 0 HG12 ILE A 22 -19.578 22.139 0.893 1.00 32.34 H new ATOM 0 HG13 ILE A 22 -18.697 21.103 -0.211 1.00 32.34 H new ATOM 0 HG21 ILE A 22 -18.114 18.786 0.421 1.00 1.14 H new ATOM 0 HG22 ILE A 22 -18.637 18.122 1.988 1.00 1.14 H new ATOM 0 HG23 ILE A 22 -19.826 18.384 0.690 1.00 1.14 H new ATOM 0 HD11 ILE A 22 -20.983 21.478 -0.998 1.00 32.33 H new ATOM 0 HD12 ILE A 22 -20.733 19.761 -0.600 1.00 32.33 H new ATOM 0 HD13 ILE A 22 -21.629 20.814 0.521 1.00 32.33 H new ATOM 337 N MET A 23 -19.501 19.780 4.964 1.00 14.00 N ATOM 338 CA MET A 23 -19.122 18.978 6.121 1.00 0.14 C ATOM 339 C MET A 23 -20.281 18.865 7.107 1.00 72.53 C ATOM 340 O MET A 23 -20.322 17.947 7.926 1.00 15.23 O ATOM 341 CB MET A 23 -17.905 19.590 6.816 1.00 23.23 C ATOM 342 CG MET A 23 -18.092 21.049 7.198 1.00 11.22 C ATOM 343 SD MET A 23 -17.441 21.427 8.837 1.00 60.24 S ATOM 344 CE MET A 23 -15.735 21.807 8.445 1.00 32.30 C ATOM 0 H MET A 23 -19.398 20.786 5.096 1.00 14.00 H new ATOM 0 HA MET A 23 -18.867 17.978 5.771 1.00 0.14 H new ATOM 0 HB2 MET A 23 -17.682 19.014 7.714 1.00 23.23 H new ATOM 0 HB3 MET A 23 -17.040 19.503 6.159 1.00 23.23 H new ATOM 0 HG2 MET A 23 -17.597 21.680 6.460 1.00 11.22 H new ATOM 0 HG3 MET A 23 -19.153 21.295 7.167 1.00 11.22 H new ATOM 0 HE1 MET A 23 -15.199 22.061 9.360 1.00 32.30 H new ATOM 0 HE2 MET A 23 -15.267 20.940 7.980 1.00 32.30 H new ATOM 0 HE3 MET A 23 -15.699 22.651 7.757 1.00 32.30 H new ATOM 354 N GLU A 24 -21.219 19.802 7.020 1.00 32.34 N ATOM 355 CA GLU A 24 -22.377 19.806 7.907 1.00 75.43 C ATOM 356 C GLU A 24 -23.533 19.020 7.294 1.00 13.14 C ATOM 357 O GLU A 24 -24.330 18.410 8.007 1.00 33.13 O ATOM 358 CB GLU A 24 -22.820 21.242 8.197 1.00 33.43 C ATOM 359 CG GLU A 24 -23.586 21.885 7.054 1.00 42.25 C ATOM 360 CD GLU A 24 -23.738 23.385 7.225 1.00 60.14 C ATOM 361 OE1 GLU A 24 -23.159 23.933 8.186 1.00 53.41 O ATOM 362 OE2 GLU A 24 -24.433 24.009 6.396 1.00 0.43 O ATOM 0 H GLU A 24 -21.200 20.567 6.346 1.00 32.34 H new ATOM 0 HA GLU A 24 -22.089 19.326 8.842 1.00 75.43 H new ATOM 0 HB2 GLU A 24 -23.445 21.247 9.090 1.00 33.43 H new ATOM 0 HB3 GLU A 24 -21.941 21.847 8.420 1.00 33.43 H new ATOM 0 HG2 GLU A 24 -23.071 21.680 6.116 1.00 42.25 H new ATOM 0 HG3 GLU A 24 -24.574 21.429 6.981 1.00 42.25 H new ATOM 369 N LYS A 25 -23.618 19.040 5.969 1.00 53.33 N ATOM 370 CA LYS A 25 -24.675 18.329 5.258 1.00 22.00 C ATOM 371 C LYS A 25 -24.401 16.829 5.234 1.00 0.13 C ATOM 372 O LYS A 25 -25.319 16.018 5.365 1.00 24.13 O ATOM 373 CB LYS A 25 -24.801 18.858 3.828 1.00 42.34 C ATOM 374 CG LYS A 25 -25.688 20.085 3.709 1.00 51.21 C ATOM 375 CD LYS A 25 -27.152 19.703 3.564 1.00 52.54 C ATOM 376 CE LYS A 25 -28.011 20.909 3.215 1.00 51.44 C ATOM 377 NZ LYS A 25 -28.196 21.815 4.382 1.00 15.40 N ATOM 0 H LYS A 25 -22.967 19.541 5.364 1.00 53.33 H new ATOM 0 HA LYS A 25 -25.613 18.501 5.786 1.00 22.00 H new ATOM 0 HB2 LYS A 25 -23.808 19.100 3.450 1.00 42.34 H new ATOM 0 HB3 LYS A 25 -25.200 18.068 3.191 1.00 42.34 H new ATOM 0 HG2 LYS A 25 -25.561 20.714 4.590 1.00 51.21 H new ATOM 0 HG3 LYS A 25 -25.378 20.677 2.848 1.00 51.21 H new ATOM 0 HD2 LYS A 25 -27.256 18.944 2.788 1.00 52.54 H new ATOM 0 HD3 LYS A 25 -27.507 19.259 4.494 1.00 52.54 H new ATOM 0 HE2 LYS A 25 -27.547 21.461 2.397 1.00 51.44 H new ATOM 0 HE3 LYS A 25 -28.984 20.571 2.860 1.00 51.44 H new ATOM 0 HZ1 LYS A 25 -28.787 22.624 4.103 1.00 15.40 H new ATOM 0 HZ2 LYS A 25 -28.661 21.296 5.154 1.00 15.40 H new ATOM 0 HZ3 LYS A 25 -27.269 22.158 4.705 1.00 15.40 H new ATOM 391 N LEU A 26 -23.133 16.466 5.067 1.00 55.52 N ATOM 392 CA LEU A 26 -22.739 15.062 5.028 1.00 41.54 C ATOM 393 C LEU A 26 -22.266 14.591 6.399 1.00 1.52 C ATOM 394 O LEU A 26 -21.471 13.657 6.507 1.00 34.02 O ATOM 395 CB LEU A 26 -21.630 14.854 3.995 1.00 74.04 C ATOM 396 CG LEU A 26 -21.774 15.635 2.688 1.00 0.54 C ATOM 397 CD1 LEU A 26 -20.609 15.338 1.757 1.00 3.34 C ATOM 398 CD2 LEU A 26 -23.097 15.305 2.011 1.00 22.04 C ATOM 0 H LEU A 26 -22.361 17.124 4.957 1.00 55.52 H new ATOM 0 HA LEU A 26 -23.610 14.472 4.743 1.00 41.54 H new ATOM 0 HB2 LEU A 26 -20.679 15.124 4.453 1.00 74.04 H new ATOM 0 HB3 LEU A 26 -21.578 13.792 3.756 1.00 74.04 H new ATOM 0 HG LEU A 26 -21.764 16.700 2.921 1.00 0.54 H new ATOM 0 HD11 LEU A 26 -20.729 15.903 0.832 1.00 3.34 H new ATOM 0 HD12 LEU A 26 -19.675 15.626 2.240 1.00 3.34 H new ATOM 0 HD13 LEU A 26 -20.587 14.272 1.531 1.00 3.34 H new ATOM 0 HD21 LEU A 26 -23.182 15.870 1.083 1.00 22.04 H new ATOM 0 HD22 LEU A 26 -23.137 14.238 1.791 1.00 22.04 H new ATOM 0 HD23 LEU A 26 -23.921 15.570 2.674 1.00 22.04 H new ATOM 410 N LYS A 27 -22.762 15.242 7.446 1.00 33.44 N ATOM 411 CA LYS A 27 -22.394 14.889 8.812 1.00 35.22 C ATOM 412 C LYS A 27 -22.625 13.402 9.070 1.00 14.44 C ATOM 413 O LYS A 27 -21.949 12.795 9.899 1.00 24.22 O ATOM 414 CB LYS A 27 -23.201 15.721 9.811 1.00 4.21 C ATOM 415 CG LYS A 27 -22.595 15.754 11.203 1.00 15.12 C ATOM 416 CD LYS A 27 -23.140 16.914 12.021 1.00 64.43 C ATOM 417 CE LYS A 27 -24.645 16.805 12.209 1.00 40.11 C ATOM 418 NZ LYS A 27 -25.021 15.588 12.981 1.00 51.23 N ATOM 0 H LYS A 27 -23.421 16.018 7.374 1.00 33.44 H new ATOM 0 HA LYS A 27 -21.333 15.103 8.943 1.00 35.22 H new ATOM 0 HB2 LYS A 27 -23.286 16.741 9.437 1.00 4.21 H new ATOM 0 HB3 LYS A 27 -24.212 15.319 9.873 1.00 4.21 H new ATOM 0 HG2 LYS A 27 -22.806 14.815 11.715 1.00 15.12 H new ATOM 0 HG3 LYS A 27 -21.511 15.839 11.127 1.00 15.12 H new ATOM 0 HD2 LYS A 27 -22.651 16.935 12.995 1.00 64.43 H new ATOM 0 HD3 LYS A 27 -22.902 17.855 11.524 1.00 64.43 H new ATOM 0 HE2 LYS A 27 -25.011 17.691 12.727 1.00 40.11 H new ATOM 0 HE3 LYS A 27 -25.132 16.782 11.234 1.00 40.11 H new ATOM 0 HZ1 LYS A 27 -26.025 15.643 13.248 1.00 51.23 H new ATOM 0 HZ2 LYS A 27 -24.864 14.743 12.395 1.00 51.23 H new ATOM 0 HZ3 LYS A 27 -24.437 15.527 13.839 1.00 51.23 H new ATOM 432 N SER A 28 -23.584 12.824 8.354 1.00 64.04 N ATOM 433 CA SER A 28 -23.904 11.409 8.507 1.00 44.24 C ATOM 434 C SER A 28 -23.540 10.631 7.247 1.00 73.44 C ATOM 435 O SER A 28 -23.290 9.426 7.298 1.00 51.52 O ATOM 436 CB SER A 28 -25.392 11.233 8.817 1.00 24.30 C ATOM 437 OG SER A 28 -25.810 9.903 8.565 1.00 34.11 O ATOM 0 H SER A 28 -24.153 13.313 7.663 1.00 64.04 H new ATOM 0 HA SER A 28 -23.318 11.016 9.338 1.00 44.24 H new ATOM 0 HB2 SER A 28 -25.582 11.486 9.860 1.00 24.30 H new ATOM 0 HB3 SER A 28 -25.978 11.923 8.210 1.00 24.30 H new ATOM 0 HG SER A 28 -26.764 9.815 8.772 1.00 34.11 H new ATOM 443 N GLY A 29 -23.512 11.327 6.115 1.00 43.22 N ATOM 444 CA GLY A 29 -23.178 10.685 4.856 1.00 2.30 C ATOM 445 C GLY A 29 -24.323 10.723 3.864 1.00 31.44 C ATOM 446 O GLY A 29 -24.680 9.699 3.281 1.00 72.13 O ATOM 0 H GLY A 29 -23.715 12.324 6.047 1.00 43.22 H new ATOM 0 HA2 GLY A 29 -22.308 11.176 4.421 1.00 2.30 H new ATOM 0 HA3 GLY A 29 -22.898 9.648 5.043 1.00 2.30 H new ATOM 450 N GLU A 30 -24.902 11.904 3.674 1.00 31.04 N ATOM 451 CA GLU A 30 -26.016 12.068 2.748 1.00 44.21 C ATOM 452 C GLU A 30 -25.594 11.722 1.324 1.00 60.44 C ATOM 453 O GLU A 30 -25.931 10.656 0.806 1.00 42.24 O ATOM 454 CB GLU A 30 -26.544 13.504 2.800 1.00 23.41 C ATOM 455 CG GLU A 30 -27.088 13.903 4.161 1.00 4.52 C ATOM 456 CD GLU A 30 -28.087 12.902 4.707 1.00 14.42 C ATOM 457 OE1 GLU A 30 -29.286 13.023 4.379 1.00 71.35 O ATOM 458 OE2 GLU A 30 -27.671 11.999 5.462 1.00 0.12 O ATOM 0 H GLU A 30 -24.618 12.761 4.149 1.00 31.04 H new ATOM 0 HA GLU A 30 -26.810 11.385 3.050 1.00 44.21 H new ATOM 0 HB2 GLU A 30 -25.741 14.188 2.524 1.00 23.41 H new ATOM 0 HB3 GLU A 30 -27.331 13.620 2.055 1.00 23.41 H new ATOM 0 HG2 GLU A 30 -26.260 14.004 4.863 1.00 4.52 H new ATOM 0 HG3 GLU A 30 -27.564 14.881 4.085 1.00 4.52 H new ATOM 465 N LYS A 31 -24.855 12.629 0.694 1.00 75.13 N ATOM 466 CA LYS A 31 -24.385 12.421 -0.671 1.00 20.34 C ATOM 467 C LYS A 31 -23.558 13.609 -1.150 1.00 13.34 C ATOM 468 O LYS A 31 -24.103 14.656 -1.500 1.00 52.51 O ATOM 469 CB LYS A 31 -25.572 12.199 -1.612 1.00 4.32 C ATOM 470 CG LYS A 31 -25.344 11.093 -2.629 1.00 2.24 C ATOM 471 CD LYS A 31 -25.268 9.730 -1.962 1.00 0.22 C ATOM 472 CE LYS A 31 -24.484 8.738 -2.809 1.00 2.33 C ATOM 473 NZ LYS A 31 -25.115 8.527 -4.140 1.00 41.45 N ATOM 0 H LYS A 31 -24.568 13.516 1.107 1.00 75.13 H new ATOM 0 HA LYS A 31 -23.751 11.534 -0.679 1.00 20.34 H new ATOM 0 HB2 LYS A 31 -26.455 11.960 -1.019 1.00 4.32 H new ATOM 0 HB3 LYS A 31 -25.785 13.128 -2.140 1.00 4.32 H new ATOM 0 HG2 LYS A 31 -26.153 11.097 -3.360 1.00 2.24 H new ATOM 0 HG3 LYS A 31 -24.420 11.284 -3.175 1.00 2.24 H new ATOM 0 HD2 LYS A 31 -24.796 9.828 -0.984 1.00 0.22 H new ATOM 0 HD3 LYS A 31 -26.275 9.350 -1.793 1.00 0.22 H new ATOM 0 HE2 LYS A 31 -23.465 9.101 -2.943 1.00 2.33 H new ATOM 0 HE3 LYS A 31 -24.417 7.785 -2.284 1.00 2.33 H new ATOM 0 HZ1 LYS A 31 -24.611 7.772 -4.647 1.00 41.45 H new ATOM 0 HZ2 LYS A 31 -26.111 8.255 -4.013 1.00 41.45 H new ATOM 0 HZ3 LYS A 31 -25.065 9.407 -4.691 1.00 41.45 H new ATOM 487 N PHE A 32 -22.240 13.441 -1.161 1.00 40.25 N ATOM 488 CA PHE A 32 -21.338 14.500 -1.597 1.00 52.32 C ATOM 489 C PHE A 32 -21.759 15.047 -2.959 1.00 62.11 C ATOM 490 O PHE A 32 -21.711 16.253 -3.198 1.00 31.34 O ATOM 491 CB PHE A 32 -19.901 13.980 -1.666 1.00 11.00 C ATOM 492 CG PHE A 32 -18.909 15.017 -2.108 1.00 63.31 C ATOM 493 CD1 PHE A 32 -18.732 15.296 -3.454 1.00 63.32 C ATOM 494 CD2 PHE A 32 -18.152 15.711 -1.178 1.00 40.32 C ATOM 495 CE1 PHE A 32 -17.819 16.250 -3.864 1.00 52.21 C ATOM 496 CE2 PHE A 32 -17.238 16.666 -1.583 1.00 55.11 C ATOM 497 CZ PHE A 32 -17.071 16.936 -2.927 1.00 60.52 C ATOM 0 H PHE A 32 -21.773 12.581 -0.873 1.00 40.25 H new ATOM 0 HA PHE A 32 -21.389 15.309 -0.868 1.00 52.32 H new ATOM 0 HB2 PHE A 32 -19.611 13.606 -0.684 1.00 11.00 H new ATOM 0 HB3 PHE A 32 -19.862 13.135 -2.353 1.00 11.00 H new ATOM 0 HD1 PHE A 32 -19.314 14.762 -4.191 1.00 63.32 H new ATOM 0 HD2 PHE A 32 -18.277 15.504 -0.125 1.00 40.32 H new ATOM 0 HE1 PHE A 32 -17.691 16.459 -4.916 1.00 52.21 H new ATOM 0 HE2 PHE A 32 -16.655 17.201 -0.848 1.00 55.11 H new ATOM 0 HZ PHE A 32 -16.357 17.682 -3.245 1.00 60.52 H new ATOM 507 N GLY A 33 -22.171 14.149 -3.849 1.00 63.32 N ATOM 508 CA GLY A 33 -22.592 14.558 -5.176 1.00 0.42 C ATOM 509 C GLY A 33 -23.833 15.430 -5.146 1.00 60.13 C ATOM 510 O GLY A 33 -23.978 16.345 -5.956 1.00 44.55 O ATOM 0 H GLY A 33 -22.221 13.145 -3.674 1.00 63.32 H new ATOM 0 HA2 GLY A 33 -21.781 15.102 -5.660 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -22.788 13.673 -5.781 1.00 0.42 H new ATOM 514 N LYS A 34 -24.732 15.145 -4.211 1.00 0.24 N ATOM 515 CA LYS A 34 -25.966 15.908 -4.078 1.00 14.14 C ATOM 516 C LYS A 34 -25.671 17.394 -3.894 1.00 71.23 C ATOM 517 O LYS A 34 -26.502 18.245 -4.211 1.00 53.53 O ATOM 518 CB LYS A 34 -26.785 15.391 -2.893 1.00 34.02 C ATOM 519 CG LYS A 34 -28.079 16.155 -2.667 1.00 64.25 C ATOM 520 CD LYS A 34 -28.968 16.121 -3.899 1.00 31.12 C ATOM 521 CE LYS A 34 -30.274 16.864 -3.663 1.00 52.25 C ATOM 522 NZ LYS A 34 -30.130 18.328 -3.899 1.00 23.03 N ATOM 0 H LYS A 34 -24.629 14.390 -3.533 1.00 0.24 H new ATOM 0 HA LYS A 34 -26.542 15.780 -4.994 1.00 14.14 H new ATOM 0 HB2 LYS A 34 -27.018 14.339 -3.055 1.00 34.02 H new ATOM 0 HB3 LYS A 34 -26.177 15.448 -1.990 1.00 34.02 H new ATOM 0 HG2 LYS A 34 -28.613 15.725 -1.820 1.00 64.25 H new ATOM 0 HG3 LYS A 34 -27.852 17.189 -2.409 1.00 64.25 H new ATOM 0 HD2 LYS A 34 -28.441 16.568 -4.742 1.00 31.12 H new ATOM 0 HD3 LYS A 34 -29.180 15.086 -4.168 1.00 31.12 H new ATOM 0 HE2 LYS A 34 -31.044 16.464 -4.323 1.00 52.25 H new ATOM 0 HE3 LYS A 34 -30.610 16.692 -2.640 1.00 52.25 H new ATOM 0 HZ1 LYS A 34 -31.042 18.799 -3.728 1.00 23.03 H new ATOM 0 HZ2 LYS A 34 -29.414 18.715 -3.252 1.00 23.03 H new ATOM 0 HZ3 LYS A 34 -29.834 18.494 -4.882 1.00 23.03 H new ATOM 536 N LEU A 35 -24.484 17.697 -3.383 1.00 43.52 N ATOM 537 CA LEU A 35 -24.078 19.080 -3.160 1.00 42.33 C ATOM 538 C LEU A 35 -23.138 19.557 -4.263 1.00 75.03 C ATOM 539 O LEU A 35 -23.094 20.744 -4.583 1.00 51.45 O ATOM 540 CB LEU A 35 -23.395 19.219 -1.799 1.00 32.33 C ATOM 541 CG LEU A 35 -23.977 18.371 -0.667 1.00 1.41 C ATOM 542 CD1 LEU A 35 -23.219 18.618 0.629 1.00 72.24 C ATOM 543 CD2 LEU A 35 -25.458 18.670 -0.485 1.00 21.13 C ATOM 0 H LEU A 35 -23.785 17.004 -3.115 1.00 43.52 H new ATOM 0 HA LEU A 35 -24.973 19.702 -3.176 1.00 42.33 H new ATOM 0 HB2 LEU A 35 -22.342 18.961 -1.915 1.00 32.33 H new ATOM 0 HB3 LEU A 35 -23.436 20.266 -1.500 1.00 32.33 H new ATOM 0 HG LEU A 35 -23.868 17.320 -0.933 1.00 1.41 H new ATOM 0 HD11 LEU A 35 -23.647 18.006 1.423 1.00 72.24 H new ATOM 0 HD12 LEU A 35 -22.170 18.354 0.493 1.00 72.24 H new ATOM 0 HD13 LEU A 35 -23.296 19.671 0.901 1.00 72.24 H new ATOM 0 HD21 LEU A 35 -25.856 18.058 0.324 1.00 21.13 H new ATOM 0 HD22 LEU A 35 -25.589 19.724 -0.241 1.00 21.13 H new ATOM 0 HD23 LEU A 35 -25.991 18.442 -1.408 1.00 21.13 H new ATOM 555 N ALA A 36 -22.392 18.623 -4.843 1.00 3.53 N ATOM 556 CA ALA A 36 -21.457 18.948 -5.913 1.00 62.22 C ATOM 557 C ALA A 36 -22.189 19.167 -7.233 1.00 65.54 C ATOM 558 O ALA A 36 -21.653 19.778 -8.158 1.00 12.21 O ATOM 559 CB ALA A 36 -20.419 17.844 -6.060 1.00 13.24 C ATOM 0 H ALA A 36 -22.417 17.635 -4.590 1.00 3.53 H new ATOM 0 HA ALA A 36 -20.950 19.876 -5.650 1.00 62.22 H new ATOM 0 HB1 ALA A 36 -19.727 18.100 -6.863 1.00 13.24 H new ATOM 0 HB2 ALA A 36 -19.868 17.736 -5.126 1.00 13.24 H new ATOM 0 HB3 ALA A 36 -20.918 16.904 -6.297 1.00 13.24 H new ATOM 565 N LYS A 37 -23.416 18.664 -7.314 1.00 65.11 N ATOM 566 CA LYS A 37 -24.223 18.805 -8.521 1.00 24.13 C ATOM 567 C LYS A 37 -24.998 20.118 -8.506 1.00 74.32 C ATOM 568 O LYS A 37 -25.815 20.376 -9.390 1.00 73.34 O ATOM 569 CB LYS A 37 -25.192 17.629 -8.651 1.00 71.44 C ATOM 570 CG LYS A 37 -25.330 17.108 -10.072 1.00 31.12 C ATOM 571 CD LYS A 37 -26.639 16.361 -10.268 1.00 10.52 C ATOM 572 CE LYS A 37 -27.799 17.319 -10.491 1.00 44.51 C ATOM 573 NZ LYS A 37 -28.488 17.662 -9.216 1.00 13.11 N ATOM 0 H LYS A 37 -23.874 18.155 -6.558 1.00 65.11 H new ATOM 0 HA LYS A 37 -23.551 18.810 -9.379 1.00 24.13 H new ATOM 0 HB2 LYS A 37 -24.854 16.817 -8.007 1.00 71.44 H new ATOM 0 HB3 LYS A 37 -26.173 17.936 -8.289 1.00 71.44 H new ATOM 0 HG2 LYS A 37 -25.277 17.941 -10.773 1.00 31.12 H new ATOM 0 HG3 LYS A 37 -24.495 16.446 -10.300 1.00 31.12 H new ATOM 0 HD2 LYS A 37 -26.551 15.689 -11.122 1.00 10.52 H new ATOM 0 HD3 LYS A 37 -26.840 15.742 -9.394 1.00 10.52 H new ATOM 0 HE2 LYS A 37 -27.432 18.231 -10.962 1.00 44.51 H new ATOM 0 HE3 LYS A 37 -28.514 16.870 -11.181 1.00 44.51 H new ATOM 0 HZ1 LYS A 37 -29.515 17.693 -9.374 1.00 13.11 H new ATOM 0 HZ2 LYS A 37 -28.269 16.942 -8.499 1.00 13.11 H new ATOM 0 HZ3 LYS A 37 -28.161 18.592 -8.884 1.00 13.11 H new ATOM 587 N GLU A 38 -24.737 20.944 -7.498 1.00 63.32 N ATOM 588 CA GLU A 38 -25.412 22.230 -7.370 1.00 21.23 C ATOM 589 C GLU A 38 -24.438 23.312 -6.910 1.00 61.32 C ATOM 590 O GLU A 38 -24.210 24.297 -7.613 1.00 54.31 O ATOM 591 CB GLU A 38 -26.577 22.124 -6.384 1.00 5.11 C ATOM 592 CG GLU A 38 -27.451 20.900 -6.603 1.00 45.21 C ATOM 593 CD GLU A 38 -28.912 21.165 -6.295 1.00 62.34 C ATOM 594 OE1 GLU A 38 -29.235 21.410 -5.114 1.00 54.44 O ATOM 595 OE2 GLU A 38 -29.732 21.124 -7.237 1.00 24.24 O ATOM 0 H GLU A 38 -24.063 20.746 -6.758 1.00 63.32 H new ATOM 0 HA GLU A 38 -25.800 22.507 -8.350 1.00 21.23 H new ATOM 0 HB2 GLU A 38 -26.181 22.100 -5.369 1.00 5.11 H new ATOM 0 HB3 GLU A 38 -27.193 23.019 -6.465 1.00 5.11 H new ATOM 0 HG2 GLU A 38 -27.355 20.570 -7.637 1.00 45.21 H new ATOM 0 HG3 GLU A 38 -27.093 20.085 -5.974 1.00 45.21 H new ATOM 602 N LEU A 39 -23.868 23.120 -5.726 1.00 43.43 N ATOM 603 CA LEU A 39 -22.919 24.079 -5.170 1.00 25.30 C ATOM 604 C LEU A 39 -21.765 24.326 -6.137 1.00 23.30 C ATOM 605 O LEU A 39 -21.392 25.470 -6.395 1.00 53.32 O ATOM 606 CB LEU A 39 -22.378 23.574 -3.831 1.00 53.31 C ATOM 607 CG LEU A 39 -23.414 23.359 -2.727 1.00 72.43 C ATOM 608 CD1 LEU A 39 -22.730 23.009 -1.415 1.00 60.11 C ATOM 609 CD2 LEU A 39 -24.285 24.596 -2.565 1.00 32.23 C ATOM 0 H LEU A 39 -24.046 22.310 -5.132 1.00 43.43 H new ATOM 0 HA LEU A 39 -23.444 25.021 -5.011 1.00 25.30 H new ATOM 0 HB2 LEU A 39 -21.859 22.631 -4.004 1.00 53.31 H new ATOM 0 HB3 LEU A 39 -21.635 24.285 -3.471 1.00 53.31 H new ATOM 0 HG LEU A 39 -24.054 22.524 -3.012 1.00 72.43 H new ATOM 0 HD11 LEU A 39 -23.483 22.860 -0.641 1.00 60.11 H new ATOM 0 HD12 LEU A 39 -22.151 22.094 -1.539 1.00 60.11 H new ATOM 0 HD13 LEU A 39 -22.066 23.822 -1.123 1.00 60.11 H new ATOM 0 HD21 LEU A 39 -25.016 24.425 -1.775 1.00 32.23 H new ATOM 0 HD22 LEU A 39 -23.660 25.449 -2.302 1.00 32.23 H new ATOM 0 HD23 LEU A 39 -24.804 24.801 -3.502 1.00 32.23 H new ATOM 621 N SER A 40 -21.205 23.245 -6.670 1.00 24.10 N ATOM 622 CA SER A 40 -20.092 23.344 -7.607 1.00 70.44 C ATOM 623 C SER A 40 -20.411 24.329 -8.727 1.00 73.22 C ATOM 624 O SER A 40 -21.174 24.019 -9.643 1.00 71.14 O ATOM 625 CB SER A 40 -19.772 21.969 -8.198 1.00 5.02 C ATOM 626 OG SER A 40 -18.420 21.897 -8.616 1.00 25.10 O ATOM 0 H SER A 40 -21.504 22.291 -6.469 1.00 24.10 H new ATOM 0 HA SER A 40 -19.222 23.709 -7.062 1.00 70.44 H new ATOM 0 HB2 SER A 40 -19.968 21.196 -7.455 1.00 5.02 H new ATOM 0 HB3 SER A 40 -20.429 21.772 -9.045 1.00 5.02 H new ATOM 0 HG SER A 40 -18.100 20.974 -8.532 1.00 25.10 H new ATOM 632 N ILE A 41 -19.822 25.518 -8.646 1.00 52.14 N ATOM 633 CA ILE A 41 -20.042 26.549 -9.653 1.00 72.44 C ATOM 634 C ILE A 41 -19.279 26.238 -10.936 1.00 24.50 C ATOM 635 O ILE A 41 -19.638 26.709 -12.015 1.00 4.10 O ATOM 636 CB ILE A 41 -19.617 27.936 -9.139 1.00 45.44 C ATOM 637 CG1 ILE A 41 -18.172 27.898 -8.636 1.00 73.22 C ATOM 638 CG2 ILE A 41 -20.555 28.404 -8.037 1.00 11.32 C ATOM 639 CD1 ILE A 41 -17.335 29.064 -9.111 1.00 44.33 C ATOM 0 H ILE A 41 -19.189 25.791 -7.894 1.00 52.14 H new ATOM 0 HA ILE A 41 -21.111 26.560 -9.864 1.00 72.44 H new ATOM 0 HB ILE A 41 -19.676 28.646 -9.964 1.00 45.44 H new ATOM 0 HG12 ILE A 41 -18.176 27.884 -7.546 1.00 73.22 H new ATOM 0 HG13 ILE A 41 -17.706 26.969 -8.965 1.00 73.22 H new ATOM 0 HG21 ILE A 41 -20.241 29.386 -7.684 1.00 11.32 H new ATOM 0 HG22 ILE A 41 -21.571 28.466 -8.426 1.00 11.32 H new ATOM 0 HG23 ILE A 41 -20.526 27.695 -7.209 1.00 11.32 H new ATOM 0 HD11 ILE A 41 -16.323 28.971 -8.716 1.00 44.33 H new ATOM 0 HD12 ILE A 41 -17.300 29.067 -10.200 1.00 44.33 H new ATOM 0 HD13 ILE A 41 -17.777 29.996 -8.760 1.00 44.33 H new ATOM 651 N ASP A 42 -18.225 25.438 -10.810 1.00 61.22 N ATOM 652 CA ASP A 42 -17.411 25.060 -11.960 1.00 21.31 C ATOM 653 C ASP A 42 -18.227 24.244 -12.958 1.00 12.00 C ATOM 654 O ASP A 42 -18.627 23.115 -12.673 1.00 21.34 O ATOM 655 CB ASP A 42 -16.189 24.260 -11.507 1.00 14.32 C ATOM 656 CG ASP A 42 -15.199 24.029 -12.630 1.00 70.12 C ATOM 657 OD1 ASP A 42 -15.388 24.612 -13.717 1.00 53.05 O ATOM 658 OD2 ASP A 42 -14.234 23.263 -12.423 1.00 62.34 O ATOM 0 H ASP A 42 -17.915 25.039 -9.924 1.00 61.22 H new ATOM 0 HA ASP A 42 -17.075 25.973 -12.452 1.00 21.31 H new ATOM 0 HB2 ASP A 42 -15.693 24.789 -10.693 1.00 14.32 H new ATOM 0 HB3 ASP A 42 -16.515 23.298 -11.110 1.00 14.32 H new ATOM 663 N SER A 43 -18.471 24.823 -14.130 1.00 23.22 N ATOM 664 CA SER A 43 -19.243 24.151 -15.168 1.00 43.01 C ATOM 665 C SER A 43 -18.692 22.754 -15.437 1.00 1.01 C ATOM 666 O SER A 43 -19.435 21.838 -15.787 1.00 2.02 O ATOM 667 CB SER A 43 -19.226 24.974 -16.458 1.00 13.12 C ATOM 668 OG SER A 43 -19.956 24.326 -17.486 1.00 32.40 O ATOM 0 H SER A 43 -18.145 25.756 -14.384 1.00 23.22 H new ATOM 0 HA SER A 43 -20.271 24.056 -14.818 1.00 43.01 H new ATOM 0 HB2 SER A 43 -19.653 25.959 -16.270 1.00 13.12 H new ATOM 0 HB3 SER A 43 -18.196 25.129 -16.781 1.00 13.12 H new ATOM 0 HG SER A 43 -19.931 24.872 -18.299 1.00 32.40 H new ATOM 674 N GLY A 44 -17.382 22.598 -15.269 1.00 52.11 N ATOM 675 CA GLY A 44 -16.752 21.311 -15.497 1.00 74.15 C ATOM 676 C GLY A 44 -16.646 20.485 -14.231 1.00 3.34 C ATOM 677 O GLY A 44 -15.604 19.890 -13.956 1.00 52.15 O ATOM 0 H GLY A 44 -16.746 23.341 -14.979 1.00 52.11 H new ATOM 0 HA2 GLY A 44 -17.324 20.757 -16.242 1.00 74.15 H new ATOM 0 HA3 GLY A 44 -15.755 21.466 -15.911 1.00 74.15 H new ATOM 681 N SER A 45 -17.726 20.451 -13.456 1.00 64.52 N ATOM 682 CA SER A 45 -17.747 19.696 -12.208 1.00 64.31 C ATOM 683 C SER A 45 -19.179 19.373 -11.792 1.00 44.15 C ATOM 684 O SER A 45 -19.486 18.245 -11.408 1.00 44.43 O ATOM 685 CB SER A 45 -17.047 20.484 -11.100 1.00 10.14 C ATOM 686 OG SER A 45 -15.796 20.984 -11.540 1.00 34.21 O ATOM 0 H SER A 45 -18.597 20.937 -13.670 1.00 64.52 H new ATOM 0 HA SER A 45 -17.215 18.759 -12.370 1.00 64.31 H new ATOM 0 HB2 SER A 45 -17.681 21.312 -10.782 1.00 10.14 H new ATOM 0 HB3 SER A 45 -16.900 19.843 -10.231 1.00 10.14 H new ATOM 0 HG SER A 45 -15.448 20.411 -12.254 1.00 34.21 H new ATOM 692 N ALA A 46 -20.050 20.373 -11.874 1.00 31.11 N ATOM 693 CA ALA A 46 -21.451 20.197 -11.508 1.00 21.30 C ATOM 694 C ALA A 46 -22.098 19.089 -12.333 1.00 51.23 C ATOM 695 O ALA A 46 -23.130 18.538 -11.950 1.00 42.03 O ATOM 696 CB ALA A 46 -22.211 21.502 -11.685 1.00 51.34 C ATOM 0 H ALA A 46 -19.811 21.313 -12.190 1.00 31.11 H new ATOM 0 HA ALA A 46 -21.493 19.905 -10.459 1.00 21.30 H new ATOM 0 HB1 ALA A 46 -23.255 21.355 -11.408 1.00 51.34 H new ATOM 0 HB2 ALA A 46 -21.771 22.269 -11.048 1.00 51.34 H new ATOM 0 HB3 ALA A 46 -22.153 21.819 -12.726 1.00 51.34 H new ATOM 702 N LYS A 47 -21.486 18.769 -13.468 1.00 64.55 N ATOM 703 CA LYS A 47 -22.001 17.727 -14.348 1.00 14.04 C ATOM 704 C LYS A 47 -21.483 16.355 -13.928 1.00 73.54 C ATOM 705 O LYS A 47 -22.058 15.327 -14.286 1.00 34.12 O ATOM 706 CB LYS A 47 -21.604 18.012 -15.798 1.00 12.04 C ATOM 707 CG LYS A 47 -22.515 19.010 -16.493 1.00 10.20 C ATOM 708 CD LYS A 47 -22.202 19.113 -17.976 1.00 30.22 C ATOM 709 CE LYS A 47 -22.919 18.033 -18.773 1.00 25.10 C ATOM 710 NZ LYS A 47 -22.161 16.751 -18.776 1.00 44.02 N ATOM 0 H LYS A 47 -20.632 19.217 -13.800 1.00 64.55 H new ATOM 0 HA LYS A 47 -23.088 17.725 -14.270 1.00 14.04 H new ATOM 0 HB2 LYS A 47 -20.582 18.390 -15.818 1.00 12.04 H new ATOM 0 HB3 LYS A 47 -21.609 17.077 -16.358 1.00 12.04 H new ATOM 0 HG2 LYS A 47 -23.554 18.709 -16.360 1.00 10.20 H new ATOM 0 HG3 LYS A 47 -22.405 19.990 -16.028 1.00 10.20 H new ATOM 0 HD2 LYS A 47 -22.498 20.095 -18.344 1.00 30.22 H new ATOM 0 HD3 LYS A 47 -21.126 19.026 -18.129 1.00 30.22 H new ATOM 0 HE2 LYS A 47 -23.910 17.868 -18.351 1.00 25.10 H new ATOM 0 HE3 LYS A 47 -23.062 18.373 -19.799 1.00 25.10 H new ATOM 0 HZ1 LYS A 47 -22.242 16.302 -19.711 1.00 44.02 H new ATOM 0 HZ2 LYS A 47 -21.160 16.939 -18.568 1.00 44.02 H new ATOM 0 HZ3 LYS A 47 -22.552 16.115 -18.052 1.00 44.02 H new ATOM 724 N LYS A 48 -20.395 16.346 -13.167 1.00 43.31 N ATOM 725 CA LYS A 48 -19.800 15.101 -12.696 1.00 23.20 C ATOM 726 C LYS A 48 -19.794 15.044 -11.172 1.00 65.32 C ATOM 727 O LYS A 48 -18.961 14.367 -10.570 1.00 42.03 O ATOM 728 CB LYS A 48 -18.371 14.961 -13.227 1.00 70.25 C ATOM 729 CG LYS A 48 -17.577 16.256 -13.187 1.00 31.53 C ATOM 730 CD LYS A 48 -17.732 17.045 -14.476 1.00 1.33 C ATOM 731 CE LYS A 48 -16.674 16.657 -15.497 1.00 41.12 C ATOM 732 NZ LYS A 48 -15.321 17.143 -15.107 1.00 52.22 N ATOM 0 H LYS A 48 -19.906 17.188 -12.863 1.00 43.31 H new ATOM 0 HA LYS A 48 -20.403 14.275 -13.071 1.00 23.20 H new ATOM 0 HB2 LYS A 48 -17.847 14.205 -12.641 1.00 70.25 H new ATOM 0 HB3 LYS A 48 -18.408 14.599 -14.254 1.00 70.25 H new ATOM 0 HG2 LYS A 48 -17.911 16.863 -12.345 1.00 31.53 H new ATOM 0 HG3 LYS A 48 -16.523 16.033 -13.020 1.00 31.53 H new ATOM 0 HD2 LYS A 48 -18.724 16.871 -14.894 1.00 1.33 H new ATOM 0 HD3 LYS A 48 -17.659 18.111 -14.262 1.00 1.33 H new ATOM 0 HE2 LYS A 48 -16.653 15.572 -15.604 1.00 41.12 H new ATOM 0 HE3 LYS A 48 -16.941 17.068 -16.471 1.00 41.12 H new ATOM 0 HZ1 LYS A 48 -14.711 17.185 -15.948 1.00 52.22 H new ATOM 0 HZ2 LYS A 48 -15.400 18.092 -14.690 1.00 52.22 H new ATOM 0 HZ3 LYS A 48 -14.906 16.492 -14.410 1.00 52.22 H new ATOM 746 N ASN A 49 -20.730 15.757 -10.554 1.00 24.52 N ATOM 747 CA ASN A 49 -20.832 15.785 -9.100 1.00 1.44 C ATOM 748 C ASN A 49 -19.482 16.101 -8.465 1.00 25.23 C ATOM 749 O ASN A 49 -19.162 15.612 -7.382 1.00 32.34 O ATOM 750 CB ASN A 49 -21.352 14.444 -8.578 1.00 11.34 C ATOM 751 CG ASN A 49 -22.734 14.115 -9.107 1.00 53.13 C ATOM 752 OD1 ASN A 49 -22.878 13.362 -10.071 1.00 52.35 O ATOM 753 ND2 ASN A 49 -23.760 14.678 -8.478 1.00 65.24 N ATOM 0 H ASN A 49 -21.428 16.323 -11.037 1.00 24.52 H new ATOM 0 HA ASN A 49 -21.535 16.572 -8.826 1.00 1.44 H new ATOM 0 HB2 ASN A 49 -20.659 13.653 -8.863 1.00 11.34 H new ATOM 0 HB3 ASN A 49 -21.379 14.467 -7.489 1.00 11.34 H new ATOM 0 HD21 ASN A 49 -24.713 14.493 -8.790 1.00 65.24 H new ATOM 0 HD22 ASN A 49 -23.594 15.296 -7.683 1.00 65.24 H new ATOM 760 N GLY A 50 -18.690 16.923 -9.148 1.00 1.24 N ATOM 761 CA GLY A 50 -17.383 17.291 -8.635 1.00 11.20 C ATOM 762 C GLY A 50 -16.541 16.084 -8.274 1.00 71.45 C ATOM 763 O GLY A 50 -15.651 16.169 -7.429 1.00 65.35 O ATOM 0 H GLY A 50 -18.930 17.340 -10.047 1.00 1.24 H new ATOM 0 HA2 GLY A 50 -16.858 17.886 -9.382 1.00 11.20 H new ATOM 0 HA3 GLY A 50 -17.506 17.921 -7.754 1.00 11.20 H new ATOM 767 N ASN A 51 -16.824 14.954 -8.916 1.00 5.33 N ATOM 768 CA ASN A 51 -16.087 13.722 -8.656 1.00 1.33 C ATOM 769 C ASN A 51 -15.022 13.490 -9.723 1.00 50.01 C ATOM 770 O ASN A 51 -15.248 12.762 -10.692 1.00 42.11 O ATOM 771 CB ASN A 51 -17.046 12.531 -8.607 1.00 4.01 C ATOM 772 CG ASN A 51 -16.551 11.429 -7.689 1.00 54.13 C ATOM 773 OD1 ASN A 51 -17.195 11.099 -6.694 1.00 75.11 O ATOM 774 ND2 ASN A 51 -15.402 10.854 -8.022 1.00 22.41 N ATOM 0 H ASN A 51 -17.558 14.866 -9.619 1.00 5.33 H new ATOM 0 HA ASN A 51 -15.592 13.820 -7.690 1.00 1.33 H new ATOM 0 HB2 ASN A 51 -18.025 12.870 -8.269 1.00 4.01 H new ATOM 0 HB3 ASN A 51 -17.177 12.131 -9.613 1.00 4.01 H new ATOM 0 HD21 ASN A 51 -15.019 10.106 -7.443 1.00 22.41 H new ATOM 0 HD22 ASN A 51 -14.902 11.160 -8.857 1.00 22.41 H new ATOM 781 N LEU A 52 -13.863 14.111 -9.539 1.00 64.52 N ATOM 782 CA LEU A 52 -12.762 13.971 -10.487 1.00 22.34 C ATOM 783 C LEU A 52 -12.194 12.556 -10.457 1.00 10.23 C ATOM 784 O LEU A 52 -11.418 12.169 -11.329 1.00 50.35 O ATOM 785 CB LEU A 52 -11.659 14.982 -10.169 1.00 5.31 C ATOM 786 CG LEU A 52 -11.124 14.965 -8.737 1.00 74.21 C ATOM 787 CD1 LEU A 52 -10.000 13.951 -8.600 1.00 21.43 C ATOM 788 CD2 LEU A 52 -10.647 16.351 -8.329 1.00 11.40 C ATOM 0 H LEU A 52 -13.660 14.716 -8.743 1.00 64.52 H new ATOM 0 HA LEU A 52 -13.149 14.166 -11.487 1.00 22.34 H new ATOM 0 HB2 LEU A 52 -10.825 14.806 -10.849 1.00 5.31 H new ATOM 0 HB3 LEU A 52 -12.038 15.982 -10.382 1.00 5.31 H new ATOM 0 HG LEU A 52 -11.935 14.671 -8.070 1.00 74.21 H new ATOM 0 HD11 LEU A 52 -9.631 13.953 -7.574 1.00 21.43 H new ATOM 0 HD12 LEU A 52 -10.373 12.958 -8.850 1.00 21.43 H new ATOM 0 HD13 LEU A 52 -9.188 14.214 -9.278 1.00 21.43 H new ATOM 0 HD21 LEU A 52 -10.270 16.320 -7.307 1.00 11.40 H new ATOM 0 HD22 LEU A 52 -9.851 16.674 -9.000 1.00 11.40 H new ATOM 0 HD23 LEU A 52 -11.478 17.054 -8.387 1.00 11.40 H new ATOM 800 N GLY A 53 -12.588 11.787 -9.446 1.00 32.53 N ATOM 801 CA GLY A 53 -12.110 10.422 -9.322 1.00 41.15 C ATOM 802 C GLY A 53 -10.671 10.353 -8.851 1.00 60.32 C ATOM 803 O GLY A 53 -10.325 10.901 -7.805 1.00 52.35 O ATOM 0 H GLY A 53 -13.229 12.085 -8.711 1.00 32.53 H new ATOM 0 HA2 GLY A 53 -12.745 9.880 -8.621 1.00 41.15 H new ATOM 0 HA3 GLY A 53 -12.198 9.920 -10.286 1.00 41.15 H new ATOM 807 N TYR A 54 -9.829 9.675 -9.624 1.00 60.41 N ATOM 808 CA TYR A 54 -8.420 9.530 -9.278 1.00 54.41 C ATOM 809 C TYR A 54 -7.594 10.666 -9.877 1.00 61.43 C ATOM 810 O TYR A 54 -7.781 11.040 -11.035 1.00 11.43 O ATOM 811 CB TYR A 54 -7.888 8.184 -9.768 1.00 64.33 C ATOM 812 CG TYR A 54 -7.862 7.116 -8.697 1.00 0.23 C ATOM 813 CD1 TYR A 54 -8.937 6.945 -7.833 1.00 52.34 C ATOM 814 CD2 TYR A 54 -6.763 6.281 -8.547 1.00 61.33 C ATOM 815 CE1 TYR A 54 -8.918 5.973 -6.853 1.00 60.24 C ATOM 816 CE2 TYR A 54 -6.735 5.305 -7.570 1.00 75.42 C ATOM 817 CZ TYR A 54 -7.815 5.155 -6.726 1.00 31.43 C ATOM 818 OH TYR A 54 -7.792 4.184 -5.750 1.00 51.31 O ATOM 0 H TYR A 54 -10.098 9.217 -10.495 1.00 60.41 H new ATOM 0 HA TYR A 54 -8.332 9.573 -8.192 1.00 54.41 H new ATOM 0 HB2 TYR A 54 -8.505 7.839 -10.598 1.00 64.33 H new ATOM 0 HB3 TYR A 54 -6.879 8.321 -10.157 1.00 64.33 H new ATOM 0 HD1 TYR A 54 -9.802 7.584 -7.930 1.00 52.34 H new ATOM 0 HD2 TYR A 54 -5.915 6.397 -9.206 1.00 61.33 H new ATOM 0 HE1 TYR A 54 -9.762 5.854 -6.190 1.00 60.24 H new ATOM 0 HE2 TYR A 54 -5.872 4.663 -7.468 1.00 75.42 H new ATOM 0 HH TYR A 54 -6.944 3.694 -5.796 1.00 51.31 H new ATOM 828 N PHE A 55 -6.680 11.207 -9.080 1.00 0.11 N ATOM 829 CA PHE A 55 -5.824 12.299 -9.530 1.00 32.51 C ATOM 830 C PHE A 55 -4.396 12.115 -9.022 1.00 10.25 C ATOM 831 O PHE A 55 -4.100 11.167 -8.294 1.00 52.24 O ATOM 832 CB PHE A 55 -6.379 13.641 -9.050 1.00 10.10 C ATOM 833 CG PHE A 55 -5.887 14.042 -7.688 1.00 71.52 C ATOM 834 CD1 PHE A 55 -6.007 13.177 -6.612 1.00 52.41 C ATOM 835 CD2 PHE A 55 -5.306 15.283 -7.484 1.00 65.31 C ATOM 836 CE1 PHE A 55 -5.555 13.543 -5.358 1.00 35.44 C ATOM 837 CE2 PHE A 55 -4.851 15.652 -6.233 1.00 55.21 C ATOM 838 CZ PHE A 55 -4.978 14.783 -5.168 1.00 62.33 C ATOM 0 H PHE A 55 -6.512 10.908 -8.119 1.00 0.11 H new ATOM 0 HA PHE A 55 -5.808 12.290 -10.620 1.00 32.51 H new ATOM 0 HB2 PHE A 55 -6.107 14.415 -9.768 1.00 10.10 H new ATOM 0 HB3 PHE A 55 -7.468 13.590 -9.033 1.00 10.10 H new ATOM 0 HD1 PHE A 55 -6.459 12.206 -6.755 1.00 52.41 H new ATOM 0 HD2 PHE A 55 -5.208 15.969 -8.312 1.00 65.31 H new ATOM 0 HE1 PHE A 55 -5.653 12.860 -4.527 1.00 35.44 H new ATOM 0 HE2 PHE A 55 -4.396 16.621 -6.088 1.00 55.21 H new ATOM 0 HZ PHE A 55 -4.627 15.072 -4.188 1.00 62.33 H new ATOM 848 N THR A 56 -3.514 13.031 -9.411 1.00 32.15 N ATOM 849 CA THR A 56 -2.118 12.971 -8.997 1.00 64.42 C ATOM 850 C THR A 56 -1.545 14.369 -8.791 1.00 34.51 C ATOM 851 O THR A 56 -2.222 15.369 -9.027 1.00 12.15 O ATOM 852 CB THR A 56 -1.257 12.224 -10.034 1.00 12.24 C ATOM 853 OG1 THR A 56 -1.098 13.027 -11.208 1.00 62.11 O ATOM 854 CG2 THR A 56 -1.892 10.893 -10.406 1.00 11.04 C ATOM 0 H THR A 56 -3.742 13.823 -10.012 1.00 32.15 H new ATOM 0 HA THR A 56 -2.091 12.427 -8.053 1.00 64.42 H new ATOM 0 HB THR A 56 -0.280 12.031 -9.591 1.00 12.24 H new ATOM 0 HG1 THR A 56 -0.548 12.546 -11.861 1.00 62.11 H new ATOM 0 HG21 THR A 56 -1.267 10.384 -11.139 1.00 11.04 H new ATOM 0 HG22 THR A 56 -1.985 10.272 -9.515 1.00 11.04 H new ATOM 0 HG23 THR A 56 -2.880 11.068 -10.831 1.00 11.04 H new ATOM 862 N LYS A 57 -0.293 14.430 -8.349 1.00 41.22 N ATOM 863 CA LYS A 57 0.373 15.706 -8.113 1.00 34.25 C ATOM 864 C LYS A 57 0.800 16.349 -9.428 1.00 23.44 C ATOM 865 O LYS A 57 1.744 15.895 -10.073 1.00 41.13 O ATOM 866 CB LYS A 57 1.592 15.507 -7.209 1.00 54.00 C ATOM 867 CG LYS A 57 1.285 14.747 -5.931 1.00 21.24 C ATOM 868 CD LYS A 57 2.111 15.261 -4.764 1.00 62.50 C ATOM 869 CE LYS A 57 3.521 14.690 -4.787 1.00 3.15 C ATOM 870 NZ LYS A 57 4.453 15.543 -5.577 1.00 13.25 N ATOM 0 H LYS A 57 0.281 13.611 -8.147 1.00 41.22 H new ATOM 0 HA LYS A 57 -0.334 16.371 -7.618 1.00 34.25 H new ATOM 0 HB2 LYS A 57 2.362 14.971 -7.764 1.00 54.00 H new ATOM 0 HB3 LYS A 57 2.006 16.482 -6.951 1.00 54.00 H new ATOM 0 HG2 LYS A 57 0.225 14.841 -5.697 1.00 21.24 H new ATOM 0 HG3 LYS A 57 1.486 13.686 -6.080 1.00 21.24 H new ATOM 0 HD2 LYS A 57 2.157 16.349 -4.801 1.00 62.50 H new ATOM 0 HD3 LYS A 57 1.624 14.994 -3.826 1.00 62.50 H new ATOM 0 HE2 LYS A 57 3.891 14.596 -3.766 1.00 3.15 H new ATOM 0 HE3 LYS A 57 3.499 13.686 -5.211 1.00 3.15 H new ATOM 0 HZ1 LYS A 57 4.859 14.985 -6.355 1.00 13.25 H new ATOM 0 HZ2 LYS A 57 3.934 16.355 -5.968 1.00 13.25 H new ATOM 0 HZ3 LYS A 57 5.217 15.885 -4.960 1.00 13.25 H new ATOM 884 N GLY A 58 0.100 17.409 -9.818 1.00 43.00 N ATOM 885 CA GLY A 58 0.423 18.098 -11.054 1.00 24.21 C ATOM 886 C GLY A 58 -0.763 18.193 -11.992 1.00 41.02 C ATOM 887 O GLY A 58 -0.622 18.617 -13.140 1.00 34.43 O ATOM 0 H GLY A 58 -0.685 17.803 -9.300 1.00 43.00 H new ATOM 0 HA2 GLY A 58 0.782 19.101 -10.824 1.00 24.21 H new ATOM 0 HA3 GLY A 58 1.238 17.576 -11.555 1.00 24.21 H new ATOM 891 N MET A 59 -1.934 17.797 -11.505 1.00 70.21 N ATOM 892 CA MET A 59 -3.150 17.839 -12.310 1.00 22.12 C ATOM 893 C MET A 59 -4.133 18.864 -11.754 1.00 73.41 C ATOM 894 O MET A 59 -5.239 19.018 -12.271 1.00 54.13 O ATOM 895 CB MET A 59 -3.805 16.457 -12.356 1.00 2.13 C ATOM 896 CG MET A 59 -2.897 15.372 -12.910 1.00 65.30 C ATOM 897 SD MET A 59 -2.841 15.366 -14.712 1.00 32.35 S ATOM 898 CE MET A 59 -3.129 13.631 -15.054 1.00 31.12 C ATOM 0 H MET A 59 -2.067 17.443 -10.558 1.00 70.21 H new ATOM 0 HA MET A 59 -2.877 18.136 -13.323 1.00 22.12 H new ATOM 0 HB2 MET A 59 -4.118 16.179 -11.350 1.00 2.13 H new ATOM 0 HB3 MET A 59 -4.706 16.511 -12.966 1.00 2.13 H new ATOM 0 HG2 MET A 59 -1.889 15.513 -12.520 1.00 65.30 H new ATOM 0 HG3 MET A 59 -3.242 14.400 -12.558 1.00 65.30 H new ATOM 0 HE1 MET A 59 -3.123 13.467 -16.132 1.00 31.12 H new ATOM 0 HE2 MET A 59 -2.343 13.034 -14.592 1.00 31.12 H new ATOM 0 HE3 MET A 59 -4.096 13.336 -14.647 1.00 31.12 H new ATOM 908 N MET A 60 -3.723 19.560 -10.700 1.00 32.13 N ATOM 909 CA MET A 60 -4.569 20.570 -10.075 1.00 34.51 C ATOM 910 C MET A 60 -3.771 21.833 -9.766 1.00 31.53 C ATOM 911 O MET A 60 -2.633 21.984 -10.210 1.00 25.52 O ATOM 912 CB MET A 60 -5.194 20.021 -8.791 1.00 31.30 C ATOM 913 CG MET A 60 -5.910 18.693 -8.984 1.00 24.21 C ATOM 914 SD MET A 60 -7.525 18.881 -9.762 1.00 24.31 S ATOM 915 CE MET A 60 -7.663 17.324 -10.637 1.00 65.32 C ATOM 0 H MET A 60 -2.810 19.444 -10.260 1.00 32.13 H new ATOM 0 HA MET A 60 -5.363 20.826 -10.776 1.00 34.51 H new ATOM 0 HB2 MET A 60 -4.413 19.898 -8.040 1.00 31.30 H new ATOM 0 HB3 MET A 60 -5.901 20.752 -8.399 1.00 31.30 H new ATOM 0 HG2 MET A 60 -5.291 18.036 -9.595 1.00 24.21 H new ATOM 0 HG3 MET A 60 -6.032 18.206 -8.016 1.00 24.21 H new ATOM 0 HE1 MET A 60 -8.613 17.289 -11.170 1.00 65.32 H new ATOM 0 HE2 MET A 60 -6.844 17.234 -11.350 1.00 65.32 H new ATOM 0 HE3 MET A 60 -7.616 16.501 -9.924 1.00 65.32 H new ATOM 925 N VAL A 61 -4.375 22.737 -9.002 1.00 50.15 N ATOM 926 CA VAL A 61 -3.721 23.986 -8.633 1.00 45.15 C ATOM 927 C VAL A 61 -3.082 23.886 -7.253 1.00 22.54 C ATOM 928 O VAL A 61 -3.350 22.949 -6.498 1.00 74.14 O ATOM 929 CB VAL A 61 -4.712 25.165 -8.643 1.00 14.13 C ATOM 930 CG1 VAL A 61 -5.415 25.261 -9.989 1.00 64.11 C ATOM 931 CG2 VAL A 61 -5.722 25.020 -7.515 1.00 2.23 C ATOM 0 H VAL A 61 -5.317 22.627 -8.626 1.00 50.15 H new ATOM 0 HA VAL A 61 -2.946 24.167 -9.377 1.00 45.15 H new ATOM 0 HB VAL A 61 -4.154 26.088 -8.485 1.00 14.13 H new ATOM 0 HG11 VAL A 61 -6.111 26.100 -9.977 1.00 64.11 H new ATOM 0 HG12 VAL A 61 -4.676 25.414 -10.775 1.00 64.11 H new ATOM 0 HG13 VAL A 61 -5.962 24.338 -10.180 1.00 64.11 H new ATOM 0 HG21 VAL A 61 -6.415 25.861 -7.536 1.00 2.23 H new ATOM 0 HG22 VAL A 61 -6.277 24.090 -7.640 1.00 2.23 H new ATOM 0 HG23 VAL A 61 -5.199 25.005 -6.559 1.00 2.23 H new ATOM 941 N LYS A 62 -2.234 24.855 -6.926 1.00 52.03 N ATOM 942 CA LYS A 62 -1.558 24.877 -5.635 1.00 44.20 C ATOM 943 C LYS A 62 -2.565 24.830 -4.491 1.00 52.20 C ATOM 944 O LYS A 62 -2.553 23.925 -3.657 1.00 5.02 O ATOM 945 CB LYS A 62 -0.690 26.132 -5.513 1.00 42.01 C ATOM 946 CG LYS A 62 -0.561 26.647 -4.090 1.00 13.12 C ATOM 947 CD LYS A 62 0.541 27.687 -3.970 1.00 33.52 C ATOM 948 CE LYS A 62 0.030 29.080 -4.300 1.00 53.22 C ATOM 949 NZ LYS A 62 1.123 29.973 -4.775 1.00 12.22 N ATOM 0 H LYS A 62 -1.999 25.636 -7.538 1.00 52.03 H new ATOM 0 HA LYS A 62 -0.922 23.994 -5.571 1.00 44.20 H new ATOM 0 HB2 LYS A 62 0.304 25.915 -5.903 1.00 42.01 H new ATOM 0 HB3 LYS A 62 -1.113 26.918 -6.138 1.00 42.01 H new ATOM 0 HG2 LYS A 62 -1.509 27.082 -3.772 1.00 13.12 H new ATOM 0 HG3 LYS A 62 -0.351 25.814 -3.419 1.00 13.12 H new ATOM 0 HD2 LYS A 62 0.944 27.677 -2.957 1.00 33.52 H new ATOM 0 HD3 LYS A 62 1.360 27.430 -4.642 1.00 33.52 H new ATOM 0 HE2 LYS A 62 -0.742 29.012 -5.066 1.00 53.22 H new ATOM 0 HE3 LYS A 62 -0.436 29.515 -3.416 1.00 53.22 H new ATOM 0 HZ1 LYS A 62 0.734 30.913 -4.990 1.00 12.22 H new ATOM 0 HZ2 LYS A 62 1.848 30.059 -4.034 1.00 12.22 H new ATOM 0 HZ3 LYS A 62 1.551 29.571 -5.633 1.00 12.22 H new ATOM 963 N PRO A 63 -3.462 25.828 -4.449 1.00 43.02 N ATOM 964 CA PRO A 63 -4.495 25.921 -3.414 1.00 2.10 C ATOM 965 C PRO A 63 -5.560 24.839 -3.558 1.00 65.55 C ATOM 966 O PRO A 63 -6.757 25.118 -3.492 1.00 43.23 O ATOM 967 CB PRO A 63 -5.105 27.305 -3.645 1.00 32.10 C ATOM 968 CG PRO A 63 -4.848 27.597 -5.083 1.00 53.03 C ATOM 969 CD PRO A 63 -3.536 26.940 -5.411 1.00 5.22 C ATOM 0 HA PRO A 63 -4.083 25.783 -2.414 1.00 2.10 H new ATOM 0 HB2 PRO A 63 -6.173 27.309 -3.425 1.00 32.10 H new ATOM 0 HB3 PRO A 63 -4.644 28.053 -3.000 1.00 32.10 H new ATOM 0 HG2 PRO A 63 -5.649 27.204 -5.710 1.00 53.03 H new ATOM 0 HG3 PRO A 63 -4.802 28.671 -5.261 1.00 53.03 H new ATOM 0 HD2 PRO A 63 -3.512 26.583 -6.441 1.00 5.22 H new ATOM 0 HD3 PRO A 63 -2.700 27.630 -5.293 1.00 5.22 H new ATOM 977 N PHE A 64 -5.116 23.601 -3.755 1.00 2.04 N ATOM 978 CA PHE A 64 -6.031 22.477 -3.909 1.00 54.12 C ATOM 979 C PHE A 64 -5.286 21.150 -3.802 1.00 31.10 C ATOM 980 O PHE A 64 -5.559 20.342 -2.914 1.00 43.45 O ATOM 981 CB PHE A 64 -6.754 22.561 -5.255 1.00 34.54 C ATOM 982 CG PHE A 64 -7.658 21.391 -5.524 1.00 44.13 C ATOM 983 CD1 PHE A 64 -7.151 20.218 -6.059 1.00 23.30 C ATOM 984 CD2 PHE A 64 -9.012 21.465 -5.243 1.00 31.20 C ATOM 985 CE1 PHE A 64 -7.980 19.139 -6.308 1.00 44.43 C ATOM 986 CE2 PHE A 64 -9.846 20.391 -5.491 1.00 21.42 C ATOM 987 CZ PHE A 64 -9.328 19.226 -6.023 1.00 31.53 C ATOM 0 H PHE A 64 -4.129 23.352 -3.812 1.00 2.04 H new ATOM 0 HA PHE A 64 -6.766 22.527 -3.105 1.00 54.12 H new ATOM 0 HB2 PHE A 64 -7.341 23.479 -5.286 1.00 34.54 H new ATOM 0 HB3 PHE A 64 -6.014 22.629 -6.052 1.00 34.54 H new ATOM 0 HD1 PHE A 64 -6.097 20.145 -6.284 1.00 23.30 H new ATOM 0 HD2 PHE A 64 -9.421 22.373 -4.825 1.00 31.20 H new ATOM 0 HE1 PHE A 64 -7.573 18.230 -6.725 1.00 44.43 H new ATOM 0 HE2 PHE A 64 -10.901 20.462 -5.269 1.00 21.42 H new ATOM 0 HZ PHE A 64 -9.977 18.384 -6.216 1.00 31.53 H new ATOM 997 N GLU A 65 -4.343 20.933 -4.713 1.00 70.44 N ATOM 998 CA GLU A 65 -3.559 19.703 -4.723 1.00 1.41 C ATOM 999 C GLU A 65 -2.960 19.430 -3.346 1.00 60.21 C ATOM 1000 O GLU A 65 -3.059 18.319 -2.823 1.00 32.11 O ATOM 1001 CB GLU A 65 -2.443 19.790 -5.767 1.00 54.42 C ATOM 1002 CG GLU A 65 -1.443 18.650 -5.686 1.00 1.21 C ATOM 1003 CD GLU A 65 -0.326 18.781 -6.703 1.00 71.24 C ATOM 1004 OE1 GLU A 65 -0.610 19.189 -7.849 1.00 32.14 O ATOM 1005 OE2 GLU A 65 0.834 18.475 -6.353 1.00 53.43 O ATOM 0 H GLU A 65 -4.103 21.592 -5.453 1.00 70.44 H new ATOM 0 HA GLU A 65 -4.225 18.880 -4.982 1.00 1.41 H new ATOM 0 HB2 GLU A 65 -2.888 19.802 -6.762 1.00 54.42 H new ATOM 0 HB3 GLU A 65 -1.914 20.735 -5.643 1.00 54.42 H new ATOM 0 HG2 GLU A 65 -1.015 18.617 -4.684 1.00 1.21 H new ATOM 0 HG3 GLU A 65 -1.962 17.704 -5.842 1.00 1.21 H new ATOM 1012 N ASP A 66 -2.339 20.449 -2.764 1.00 40.24 N ATOM 1013 CA ASP A 66 -1.724 20.320 -1.448 1.00 2.31 C ATOM 1014 C ASP A 66 -2.715 19.751 -0.439 1.00 75.22 C ATOM 1015 O ASP A 66 -2.367 18.893 0.372 1.00 1.04 O ATOM 1016 CB ASP A 66 -1.210 21.678 -0.966 1.00 73.14 C ATOM 1017 CG ASP A 66 -0.756 21.646 0.480 1.00 72.53 C ATOM 1018 OD1 ASP A 66 0.411 21.275 0.728 1.00 13.21 O ATOM 1019 OD2 ASP A 66 -1.568 21.991 1.364 1.00 42.20 O ATOM 0 H ASP A 66 -2.248 21.375 -3.183 1.00 40.24 H new ATOM 0 HA ASP A 66 -0.883 19.631 -1.533 1.00 2.31 H new ATOM 0 HB2 ASP A 66 -0.379 21.994 -1.597 1.00 73.14 H new ATOM 0 HB3 ASP A 66 -1.998 22.423 -1.080 1.00 73.14 H new ATOM 1024 N ALA A 67 -3.952 20.234 -0.494 1.00 73.54 N ATOM 1025 CA ALA A 67 -4.995 19.772 0.414 1.00 52.24 C ATOM 1026 C ALA A 67 -5.980 18.854 -0.302 1.00 11.30 C ATOM 1027 O ALA A 67 -7.184 18.904 -0.052 1.00 4.00 O ATOM 1028 CB ALA A 67 -5.725 20.958 1.027 1.00 72.25 C ATOM 0 H ALA A 67 -4.256 20.946 -1.158 1.00 73.54 H new ATOM 0 HA ALA A 67 -4.520 19.200 1.211 1.00 52.24 H new ATOM 0 HB1 ALA A 67 -6.501 20.598 1.703 1.00 72.25 H new ATOM 0 HB2 ALA A 67 -5.017 21.573 1.582 1.00 72.25 H new ATOM 0 HB3 ALA A 67 -6.181 21.553 0.236 1.00 72.25 H new ATOM 1034 N ALA A 68 -5.461 18.018 -1.194 1.00 62.25 N ATOM 1035 CA ALA A 68 -6.295 17.088 -1.946 1.00 24.30 C ATOM 1036 C ALA A 68 -5.953 15.642 -1.602 1.00 4.44 C ATOM 1037 O ALA A 68 -6.785 14.746 -1.745 1.00 62.44 O ATOM 1038 CB ALA A 68 -6.139 17.328 -3.441 1.00 31.24 C ATOM 0 H ALA A 68 -4.466 17.965 -1.414 1.00 62.25 H new ATOM 0 HA ALA A 68 -7.334 17.264 -1.668 1.00 24.30 H new ATOM 0 HB1 ALA A 68 -6.767 16.626 -3.990 1.00 31.24 H new ATOM 0 HB2 ALA A 68 -6.440 18.348 -3.679 1.00 31.24 H new ATOM 0 HB3 ALA A 68 -5.097 17.182 -3.726 1.00 31.24 H new ATOM 1044 N PHE A 69 -4.723 15.422 -1.148 1.00 40.14 N ATOM 1045 CA PHE A 69 -4.271 14.084 -0.786 1.00 0.34 C ATOM 1046 C PHE A 69 -3.890 14.021 0.690 1.00 34.23 C ATOM 1047 O PHE A 69 -3.545 12.958 1.210 1.00 13.45 O ATOM 1048 CB PHE A 69 -3.077 13.674 -1.650 1.00 1.14 C ATOM 1049 CG PHE A 69 -2.064 14.768 -1.829 1.00 42.13 C ATOM 1050 CD1 PHE A 69 -1.398 15.301 -0.736 1.00 55.23 C ATOM 1051 CD2 PHE A 69 -1.775 15.263 -3.091 1.00 41.40 C ATOM 1052 CE1 PHE A 69 -0.467 16.309 -0.899 1.00 0.13 C ATOM 1053 CE2 PHE A 69 -0.844 16.271 -3.260 1.00 21.14 C ATOM 1054 CZ PHE A 69 -0.187 16.794 -2.162 1.00 34.41 C ATOM 0 H PHE A 69 -4.022 16.153 -1.022 1.00 40.14 H new ATOM 0 HA PHE A 69 -5.093 13.390 -0.962 1.00 0.34 H new ATOM 0 HB2 PHE A 69 -2.591 12.810 -1.197 1.00 1.14 H new ATOM 0 HB3 PHE A 69 -3.438 13.360 -2.629 1.00 1.14 H new ATOM 0 HD1 PHE A 69 -1.609 14.924 0.254 1.00 55.23 H new ATOM 0 HD2 PHE A 69 -2.283 14.856 -3.953 1.00 41.40 H new ATOM 0 HE1 PHE A 69 0.042 16.718 -0.039 1.00 0.13 H new ATOM 0 HE2 PHE A 69 -0.630 16.649 -4.249 1.00 21.14 H new ATOM 0 HZ PHE A 69 0.543 17.579 -2.291 1.00 34.41 H new ATOM 1064 N LYS A 70 -3.954 15.166 1.362 1.00 73.32 N ATOM 1065 CA LYS A 70 -3.617 15.242 2.778 1.00 55.30 C ATOM 1066 C LYS A 70 -4.849 15.000 3.645 1.00 75.41 C ATOM 1067 O LYS A 70 -4.823 15.224 4.855 1.00 33.43 O ATOM 1068 CB LYS A 70 -3.012 16.609 3.106 1.00 64.40 C ATOM 1069 CG LYS A 70 -4.048 17.689 3.359 1.00 75.13 C ATOM 1070 CD LYS A 70 -3.402 19.050 3.548 1.00 43.21 C ATOM 1071 CE LYS A 70 -4.395 20.072 4.080 1.00 0.02 C ATOM 1072 NZ LYS A 70 -4.404 20.114 5.569 1.00 4.00 N ATOM 0 H LYS A 70 -4.236 16.054 0.948 1.00 73.32 H new ATOM 0 HA LYS A 70 -2.884 14.464 2.993 1.00 55.30 H new ATOM 0 HB2 LYS A 70 -2.377 16.514 3.987 1.00 64.40 H new ATOM 0 HB3 LYS A 70 -2.370 16.920 2.282 1.00 64.40 H new ATOM 0 HG2 LYS A 70 -4.744 17.729 2.521 1.00 75.13 H new ATOM 0 HG3 LYS A 70 -4.630 17.436 4.245 1.00 75.13 H new ATOM 0 HD2 LYS A 70 -2.564 18.963 4.239 1.00 43.21 H new ATOM 0 HD3 LYS A 70 -2.997 19.396 2.597 1.00 43.21 H new ATOM 0 HE2 LYS A 70 -4.144 21.059 3.690 1.00 0.02 H new ATOM 0 HE3 LYS A 70 -5.394 19.830 3.717 1.00 0.02 H new ATOM 0 HZ1 LYS A 70 -5.093 20.822 5.892 1.00 4.00 H new ATOM 0 HZ2 LYS A 70 -4.668 19.179 5.941 1.00 4.00 H new ATOM 0 HZ3 LYS A 70 -3.457 20.370 5.915 1.00 4.00 H new ATOM 1086 N LEU A 71 -5.926 14.539 3.018 1.00 44.45 N ATOM 1087 CA LEU A 71 -7.168 14.265 3.732 1.00 63.34 C ATOM 1088 C LEU A 71 -7.235 12.803 4.166 1.00 52.35 C ATOM 1089 O LEU A 71 -6.412 11.987 3.754 1.00 21.52 O ATOM 1090 CB LEU A 71 -8.371 14.602 2.851 1.00 55.14 C ATOM 1091 CG LEU A 71 -8.261 15.886 2.027 1.00 75.24 C ATOM 1092 CD1 LEU A 71 -9.428 15.999 1.057 1.00 1.22 C ATOM 1093 CD2 LEU A 71 -8.205 17.102 2.940 1.00 24.24 C ATOM 0 H LEU A 71 -5.964 14.347 2.017 1.00 44.45 H new ATOM 0 HA LEU A 71 -7.192 14.892 4.623 1.00 63.34 H new ATOM 0 HB2 LEU A 71 -8.541 13.769 2.168 1.00 55.14 H new ATOM 0 HB3 LEU A 71 -9.253 14.677 3.488 1.00 55.14 H new ATOM 0 HG LEU A 71 -7.337 15.847 1.450 1.00 75.24 H new ATOM 0 HD11 LEU A 71 -9.333 16.918 0.479 1.00 1.22 H new ATOM 0 HD12 LEU A 71 -9.424 15.144 0.381 1.00 1.22 H new ATOM 0 HD13 LEU A 71 -10.364 16.016 1.615 1.00 1.22 H new ATOM 0 HD21 LEU A 71 -8.127 18.007 2.337 1.00 24.24 H new ATOM 0 HD22 LEU A 71 -9.111 17.146 3.544 1.00 24.24 H new ATOM 0 HD23 LEU A 71 -7.337 17.026 3.594 1.00 24.24 H new ATOM 1105 N GLN A 72 -8.221 12.483 4.996 1.00 1.02 N ATOM 1106 CA GLN A 72 -8.396 11.120 5.484 1.00 32.41 C ATOM 1107 C GLN A 72 -9.414 10.364 4.636 1.00 3.33 C ATOM 1108 O GLN A 72 -10.137 10.960 3.839 1.00 62.11 O ATOM 1109 CB GLN A 72 -8.843 11.132 6.947 1.00 4.21 C ATOM 1110 CG GLN A 72 -8.029 10.209 7.840 1.00 75.44 C ATOM 1111 CD GLN A 72 -8.015 10.659 9.287 1.00 74.32 C ATOM 1112 OE1 GLN A 72 -7.823 11.840 9.580 1.00 74.34 O ATOM 1113 NE2 GLN A 72 -8.217 9.719 10.202 1.00 34.20 N ATOM 0 H GLN A 72 -8.911 13.148 5.345 1.00 1.02 H new ATOM 0 HA GLN A 72 -7.436 10.609 5.409 1.00 32.41 H new ATOM 0 HB2 GLN A 72 -8.773 12.150 7.331 1.00 4.21 H new ATOM 0 HB3 GLN A 72 -9.892 10.842 7.000 1.00 4.21 H new ATOM 0 HG2 GLN A 72 -8.437 9.200 7.781 1.00 75.44 H new ATOM 0 HG3 GLN A 72 -7.005 10.161 7.469 1.00 75.44 H new ATOM 0 HE21 GLN A 72 -8.372 8.753 9.915 1.00 34.20 H new ATOM 0 HE22 GLN A 72 -8.217 9.963 11.192 1.00 34.20 H new ATOM 1122 N VAL A 73 -9.464 9.047 4.813 1.00 2.34 N ATOM 1123 CA VAL A 73 -10.393 8.210 4.065 1.00 35.20 C ATOM 1124 C VAL A 73 -11.838 8.607 4.344 1.00 3.42 C ATOM 1125 O VAL A 73 -12.417 8.212 5.355 1.00 34.51 O ATOM 1126 CB VAL A 73 -10.206 6.720 4.408 1.00 72.21 C ATOM 1127 CG1 VAL A 73 -11.146 5.859 3.577 1.00 54.45 C ATOM 1128 CG2 VAL A 73 -8.759 6.302 4.195 1.00 55.33 C ATOM 0 H VAL A 73 -8.871 8.537 5.468 1.00 2.34 H new ATOM 0 HA VAL A 73 -10.176 8.362 3.008 1.00 35.20 H new ATOM 0 HB VAL A 73 -10.451 6.573 5.460 1.00 72.21 H new ATOM 0 HG11 VAL A 73 -11.000 4.810 3.833 1.00 54.45 H new ATOM 0 HG12 VAL A 73 -12.178 6.143 3.784 1.00 54.45 H new ATOM 0 HG13 VAL A 73 -10.935 6.007 2.518 1.00 54.45 H new ATOM 0 HG21 VAL A 73 -8.645 5.247 4.442 1.00 55.33 H new ATOM 0 HG22 VAL A 73 -8.484 6.462 3.153 1.00 55.33 H new ATOM 0 HG23 VAL A 73 -8.110 6.897 4.837 1.00 55.33 H new ATOM 1138 N GLY A 74 -12.416 9.394 3.441 1.00 2.21 N ATOM 1139 CA GLY A 74 -13.789 9.832 3.608 1.00 33.11 C ATOM 1140 C GLY A 74 -13.897 11.095 4.440 1.00 73.12 C ATOM 1141 O GLY A 74 -14.923 11.342 5.073 1.00 42.12 O ATOM 0 H GLY A 74 -11.957 9.736 2.597 1.00 2.21 H new ATOM 0 HA2 GLY A 74 -14.233 10.007 2.628 1.00 33.11 H new ATOM 0 HA3 GLY A 74 -14.366 9.038 4.082 1.00 33.11 H new ATOM 1145 N GLU A 75 -12.836 11.895 4.438 1.00 1.03 N ATOM 1146 CA GLU A 75 -12.817 13.139 5.201 1.00 64.55 C ATOM 1147 C GLU A 75 -12.859 14.347 4.271 1.00 42.24 C ATOM 1148 O GLU A 75 -12.184 14.377 3.241 1.00 14.11 O ATOM 1149 CB GLU A 75 -11.568 13.203 6.083 1.00 63.52 C ATOM 1150 CG GLU A 75 -11.850 13.658 7.505 1.00 23.40 C ATOM 1151 CD GLU A 75 -10.588 13.796 8.334 1.00 22.30 C ATOM 1152 OE1 GLU A 75 -9.867 14.800 8.157 1.00 2.20 O ATOM 1153 OE2 GLU A 75 -10.321 12.899 9.161 1.00 35.24 O ATOM 0 H GLU A 75 -11.979 11.705 3.918 1.00 1.03 H new ATOM 0 HA GLU A 75 -13.703 13.160 5.836 1.00 64.55 H new ATOM 0 HB2 GLU A 75 -11.103 12.218 6.111 1.00 63.52 H new ATOM 0 HB3 GLU A 75 -10.847 13.883 5.629 1.00 63.52 H new ATOM 0 HG2 GLU A 75 -12.370 14.616 7.480 1.00 23.40 H new ATOM 0 HG3 GLU A 75 -12.519 12.944 7.985 1.00 23.40 H new ATOM 1160 N VAL A 76 -13.656 15.344 4.641 1.00 12.14 N ATOM 1161 CA VAL A 76 -13.786 16.557 3.842 1.00 31.12 C ATOM 1162 C VAL A 76 -12.738 17.591 4.238 1.00 43.23 C ATOM 1163 O VAL A 76 -12.489 17.816 5.421 1.00 14.42 O ATOM 1164 CB VAL A 76 -15.187 17.179 3.992 1.00 40.12 C ATOM 1165 CG1 VAL A 76 -15.318 18.415 3.114 1.00 75.32 C ATOM 1166 CG2 VAL A 76 -16.263 16.158 3.654 1.00 4.00 C ATOM 0 H VAL A 76 -14.222 15.336 5.490 1.00 12.14 H new ATOM 0 HA VAL A 76 -13.633 16.269 2.802 1.00 31.12 H new ATOM 0 HB VAL A 76 -15.322 17.483 5.030 1.00 40.12 H new ATOM 0 HG11 VAL A 76 -16.314 18.842 3.232 1.00 75.32 H new ATOM 0 HG12 VAL A 76 -14.570 19.152 3.409 1.00 75.32 H new ATOM 0 HG13 VAL A 76 -15.163 18.138 2.071 1.00 75.32 H new ATOM 0 HG21 VAL A 76 -17.246 16.615 3.766 1.00 4.00 H new ATOM 0 HG22 VAL A 76 -16.134 15.821 2.626 1.00 4.00 H new ATOM 0 HG23 VAL A 76 -16.181 15.306 4.328 1.00 4.00 H new ATOM 1176 N SER A 77 -12.126 18.217 3.237 1.00 22.24 N ATOM 1177 CA SER A 77 -11.101 19.226 3.480 1.00 40.24 C ATOM 1178 C SER A 77 -11.731 20.549 3.906 1.00 75.35 C ATOM 1179 O SER A 77 -12.913 20.605 4.242 1.00 32.32 O ATOM 1180 CB SER A 77 -10.253 19.433 2.223 1.00 13.03 C ATOM 1181 OG SER A 77 -10.899 20.302 1.309 1.00 60.35 O ATOM 0 H SER A 77 -12.322 18.043 2.251 1.00 22.24 H new ATOM 0 HA SER A 77 -10.461 18.872 4.288 1.00 40.24 H new ATOM 0 HB2 SER A 77 -9.283 19.846 2.499 1.00 13.03 H new ATOM 0 HB3 SER A 77 -10.065 18.472 1.745 1.00 13.03 H new ATOM 0 HG SER A 77 -10.418 21.155 1.273 1.00 60.35 H new ATOM 1187 N GLU A 78 -10.931 21.610 3.889 1.00 12.21 N ATOM 1188 CA GLU A 78 -11.410 22.932 4.275 1.00 52.24 C ATOM 1189 C GLU A 78 -11.667 23.798 3.045 1.00 42.04 C ATOM 1190 O GLU A 78 -11.168 23.530 1.951 1.00 15.21 O ATOM 1191 CB GLU A 78 -10.396 23.619 5.192 1.00 11.03 C ATOM 1192 CG GLU A 78 -8.950 23.329 4.826 1.00 22.32 C ATOM 1193 CD GLU A 78 -7.964 24.050 5.725 1.00 60.25 C ATOM 1194 OE1 GLU A 78 -8.030 25.295 5.799 1.00 21.52 O ATOM 1195 OE2 GLU A 78 -7.128 23.369 6.353 1.00 22.12 O ATOM 0 H GLU A 78 -9.950 21.580 3.613 1.00 12.21 H new ATOM 0 HA GLU A 78 -12.350 22.807 4.813 1.00 52.24 H new ATOM 0 HB2 GLU A 78 -10.561 24.696 5.160 1.00 11.03 H new ATOM 0 HB3 GLU A 78 -10.573 23.300 6.219 1.00 11.03 H new ATOM 0 HG2 GLU A 78 -8.772 22.255 4.886 1.00 22.32 H new ATOM 0 HG3 GLU A 78 -8.775 23.624 3.791 1.00 22.32 H new ATOM 1202 N PRO A 79 -12.464 24.861 3.226 1.00 2.44 N ATOM 1203 CA PRO A 79 -12.805 25.789 2.143 1.00 32.42 C ATOM 1204 C PRO A 79 -11.614 26.633 1.705 1.00 3.24 C ATOM 1205 O PRO A 79 -11.441 27.764 2.162 1.00 62.31 O ATOM 1206 CB PRO A 79 -13.890 26.675 2.763 1.00 24.51 C ATOM 1207 CG PRO A 79 -13.631 26.618 4.229 1.00 42.11 C ATOM 1208 CD PRO A 79 -13.091 25.241 4.502 1.00 14.03 C ATOM 0 HA PRO A 79 -13.126 25.264 1.243 1.00 32.42 H new ATOM 0 HB2 PRO A 79 -13.828 27.697 2.389 1.00 24.51 H new ATOM 0 HB3 PRO A 79 -14.887 26.307 2.522 1.00 24.51 H new ATOM 0 HG2 PRO A 79 -12.916 27.384 4.529 1.00 42.11 H new ATOM 0 HG3 PRO A 79 -14.546 26.797 4.794 1.00 42.11 H new ATOM 0 HD2 PRO A 79 -12.369 25.247 5.318 1.00 14.03 H new ATOM 0 HD3 PRO A 79 -13.883 24.547 4.783 1.00 14.03 H new ATOM 1216 N ILE A 80 -10.795 26.078 0.818 1.00 51.02 N ATOM 1217 CA ILE A 80 -9.621 26.782 0.317 1.00 13.21 C ATOM 1218 C ILE A 80 -10.013 27.866 -0.680 1.00 72.33 C ATOM 1219 O ILE A 80 -10.462 27.573 -1.789 1.00 31.30 O ATOM 1220 CB ILE A 80 -8.629 25.815 -0.356 1.00 32.50 C ATOM 1221 CG1 ILE A 80 -8.378 24.601 0.541 1.00 4.34 C ATOM 1222 CG2 ILE A 80 -7.323 26.529 -0.670 1.00 22.50 C ATOM 1223 CD1 ILE A 80 -7.681 24.945 1.839 1.00 31.24 C ATOM 0 H ILE A 80 -10.923 25.143 0.431 1.00 51.02 H new ATOM 0 HA ILE A 80 -9.138 27.243 1.179 1.00 13.21 H new ATOM 0 HB ILE A 80 -9.063 25.466 -1.293 1.00 32.50 H new ATOM 0 HG12 ILE A 80 -9.331 24.121 0.765 1.00 4.34 H new ATOM 0 HG13 ILE A 80 -7.776 23.874 -0.004 1.00 4.34 H new ATOM 0 HG21 ILE A 80 -6.633 25.832 -1.145 1.00 22.50 H new ATOM 0 HG22 ILE A 80 -7.517 27.364 -1.344 1.00 22.50 H new ATOM 0 HG23 ILE A 80 -6.882 26.904 0.254 1.00 22.50 H new ATOM 0 HD11 ILE A 80 -7.535 24.038 2.425 1.00 31.24 H new ATOM 0 HD12 ILE A 80 -6.713 25.397 1.623 1.00 31.24 H new ATOM 0 HD13 ILE A 80 -8.292 25.648 2.405 1.00 31.24 H new ATOM 1235 N LYS A 81 -9.840 29.122 -0.280 1.00 62.55 N ATOM 1236 CA LYS A 81 -10.173 30.251 -1.140 1.00 43.33 C ATOM 1237 C LYS A 81 -9.132 30.421 -2.242 1.00 44.32 C ATOM 1238 O LYS A 81 -7.977 30.750 -1.974 1.00 11.14 O ATOM 1239 CB LYS A 81 -10.270 31.536 -0.313 1.00 70.54 C ATOM 1240 CG LYS A 81 -10.814 32.721 -1.092 1.00 45.24 C ATOM 1241 CD LYS A 81 -12.162 33.170 -0.556 1.00 32.14 C ATOM 1242 CE LYS A 81 -12.674 34.398 -1.292 1.00 54.12 C ATOM 1243 NZ LYS A 81 -12.930 34.115 -2.731 1.00 61.14 N ATOM 0 H LYS A 81 -9.471 29.383 0.634 1.00 62.55 H new ATOM 0 HA LYS A 81 -11.138 30.050 -1.604 1.00 43.33 H new ATOM 0 HB2 LYS A 81 -10.910 31.355 0.551 1.00 70.54 H new ATOM 0 HB3 LYS A 81 -9.281 31.787 0.070 1.00 70.54 H new ATOM 0 HG2 LYS A 81 -10.106 33.548 -1.038 1.00 45.24 H new ATOM 0 HG3 LYS A 81 -10.911 32.452 -2.144 1.00 45.24 H new ATOM 0 HD2 LYS A 81 -12.883 32.358 -0.655 1.00 32.14 H new ATOM 0 HD3 LYS A 81 -12.076 33.392 0.508 1.00 32.14 H new ATOM 0 HE2 LYS A 81 -13.593 34.747 -0.821 1.00 54.12 H new ATOM 0 HE3 LYS A 81 -11.945 35.204 -1.204 1.00 54.12 H new ATOM 0 HZ1 LYS A 81 -13.433 34.918 -3.159 1.00 61.14 H new ATOM 0 HZ2 LYS A 81 -12.025 33.972 -3.223 1.00 61.14 H new ATOM 0 HZ3 LYS A 81 -13.511 33.257 -2.818 1.00 61.14 H new ATOM 1257 N SER A 82 -9.550 30.196 -3.484 1.00 65.54 N ATOM 1258 CA SER A 82 -8.653 30.322 -4.627 1.00 70.14 C ATOM 1259 C SER A 82 -9.290 31.165 -5.727 1.00 50.21 C ATOM 1260 O SER A 82 -10.346 31.766 -5.530 1.00 74.23 O ATOM 1261 CB SER A 82 -8.293 28.939 -5.174 1.00 65.53 C ATOM 1262 OG SER A 82 -9.272 28.481 -6.090 1.00 43.02 O ATOM 0 H SER A 82 -10.504 29.926 -3.724 1.00 65.54 H new ATOM 0 HA SER A 82 -7.744 30.821 -4.291 1.00 70.14 H new ATOM 0 HB2 SER A 82 -7.322 28.981 -5.666 1.00 65.53 H new ATOM 0 HB3 SER A 82 -8.202 28.231 -4.350 1.00 65.53 H new ATOM 0 HG SER A 82 -8.834 28.178 -6.913 1.00 43.02 H new ATOM 1268 N GLU A 83 -8.640 31.206 -6.886 1.00 23.53 N ATOM 1269 CA GLU A 83 -9.142 31.976 -8.017 1.00 30.32 C ATOM 1270 C GLU A 83 -10.513 31.468 -8.456 1.00 24.23 C ATOM 1271 O GLU A 83 -11.303 32.209 -9.040 1.00 31.32 O ATOM 1272 CB GLU A 83 -8.160 31.903 -9.188 1.00 72.32 C ATOM 1273 CG GLU A 83 -7.786 30.484 -9.581 1.00 52.34 C ATOM 1274 CD GLU A 83 -6.384 30.109 -9.145 1.00 70.53 C ATOM 1275 OE1 GLU A 83 -5.424 30.763 -9.605 1.00 22.20 O ATOM 1276 OE2 GLU A 83 -6.244 29.160 -8.345 1.00 14.13 O ATOM 0 H GLU A 83 -7.764 30.715 -7.066 1.00 23.53 H new ATOM 0 HA GLU A 83 -9.243 33.014 -7.701 1.00 30.32 H new ATOM 0 HB2 GLU A 83 -8.598 32.406 -10.050 1.00 72.32 H new ATOM 0 HB3 GLU A 83 -7.254 32.449 -8.926 1.00 72.32 H new ATOM 0 HG2 GLU A 83 -8.499 29.788 -9.138 1.00 52.34 H new ATOM 0 HG3 GLU A 83 -7.867 30.377 -10.663 1.00 52.34 H new ATOM 1283 N PHE A 84 -10.786 30.200 -8.170 1.00 22.21 N ATOM 1284 CA PHE A 84 -12.060 29.592 -8.536 1.00 23.50 C ATOM 1285 C PHE A 84 -13.048 29.657 -7.375 1.00 5.21 C ATOM 1286 O PHE A 84 -14.255 29.514 -7.564 1.00 2.04 O ATOM 1287 CB PHE A 84 -11.851 28.136 -8.960 1.00 23.53 C ATOM 1288 CG PHE A 84 -10.734 27.953 -9.947 1.00 50.42 C ATOM 1289 CD1 PHE A 84 -10.680 28.720 -11.100 1.00 52.15 C ATOM 1290 CD2 PHE A 84 -9.740 27.015 -9.723 1.00 42.11 C ATOM 1291 CE1 PHE A 84 -9.653 28.555 -12.012 1.00 73.21 C ATOM 1292 CE2 PHE A 84 -8.710 26.847 -10.631 1.00 34.43 C ATOM 1293 CZ PHE A 84 -8.668 27.616 -11.776 1.00 63.12 C ATOM 0 H PHE A 84 -10.143 29.573 -7.686 1.00 22.21 H new ATOM 0 HA PHE A 84 -12.474 30.153 -9.374 1.00 23.50 H new ATOM 0 HB2 PHE A 84 -11.645 27.534 -8.075 1.00 23.53 H new ATOM 0 HB3 PHE A 84 -12.775 27.757 -9.395 1.00 23.53 H new ATOM 0 HD1 PHE A 84 -11.449 29.455 -11.289 1.00 52.15 H new ATOM 0 HD2 PHE A 84 -9.769 26.408 -8.830 1.00 42.11 H new ATOM 0 HE1 PHE A 84 -9.621 29.159 -12.907 1.00 73.21 H new ATOM 0 HE2 PHE A 84 -7.939 26.114 -10.444 1.00 34.43 H new ATOM 0 HZ PHE A 84 -7.866 27.484 -12.487 1.00 63.12 H new ATOM 1303 N GLY A 85 -12.525 29.876 -6.172 1.00 50.35 N ATOM 1304 CA GLY A 85 -13.374 29.958 -4.998 1.00 4.10 C ATOM 1305 C GLY A 85 -12.992 28.945 -3.936 1.00 1.24 C ATOM 1306 O GLY A 85 -11.853 28.478 -3.894 1.00 73.44 O ATOM 0 H GLY A 85 -11.529 29.998 -5.990 1.00 50.35 H new ATOM 0 HA2 GLY A 85 -13.312 30.962 -4.578 1.00 4.10 H new ATOM 0 HA3 GLY A 85 -14.412 29.799 -5.292 1.00 4.10 H new ATOM 1310 N TYR A 86 -13.944 28.608 -3.074 1.00 31.51 N ATOM 1311 CA TYR A 86 -13.701 27.646 -2.004 1.00 54.41 C ATOM 1312 C TYR A 86 -13.701 26.219 -2.542 1.00 70.13 C ATOM 1313 O TYR A 86 -14.700 25.749 -3.088 1.00 1.00 O ATOM 1314 CB TYR A 86 -14.761 27.791 -0.911 1.00 11.32 C ATOM 1315 CG TYR A 86 -14.699 29.113 -0.178 1.00 71.24 C ATOM 1316 CD1 TYR A 86 -13.567 29.481 0.536 1.00 21.13 C ATOM 1317 CD2 TYR A 86 -15.775 29.992 -0.200 1.00 43.43 C ATOM 1318 CE1 TYR A 86 -13.506 30.687 1.207 1.00 1.30 C ATOM 1319 CE2 TYR A 86 -15.723 31.200 0.466 1.00 1.40 C ATOM 1320 CZ TYR A 86 -14.587 31.544 1.169 1.00 64.31 C ATOM 1321 OH TYR A 86 -14.531 32.747 1.835 1.00 23.53 O ATOM 0 H TYR A 86 -14.891 28.986 -3.094 1.00 31.51 H new ATOM 0 HA TYR A 86 -12.719 27.854 -1.580 1.00 54.41 H new ATOM 0 HB2 TYR A 86 -15.749 27.679 -1.358 1.00 11.32 H new ATOM 0 HB3 TYR A 86 -14.642 26.981 -0.192 1.00 11.32 H new ATOM 0 HD1 TYR A 86 -12.719 28.813 0.568 1.00 21.13 H new ATOM 0 HD2 TYR A 86 -16.667 29.726 -0.747 1.00 43.43 H new ATOM 0 HE1 TYR A 86 -12.617 30.958 1.758 1.00 1.30 H new ATOM 0 HE2 TYR A 86 -16.568 31.873 0.437 1.00 1.40 H new ATOM 0 HH TYR A 86 -15.373 33.231 1.707 1.00 23.53 H new ATOM 1331 N HIS A 87 -12.572 25.535 -2.385 1.00 33.50 N ATOM 1332 CA HIS A 87 -12.441 24.160 -2.854 1.00 62.31 C ATOM 1333 C HIS A 87 -12.695 23.172 -1.719 1.00 51.32 C ATOM 1334 O HIS A 87 -12.044 23.231 -0.676 1.00 33.50 O ATOM 1335 CB HIS A 87 -11.049 23.931 -3.443 1.00 31.10 C ATOM 1336 CG HIS A 87 -10.851 24.576 -4.781 1.00 23.43 C ATOM 1337 ND1 HIS A 87 -11.036 23.909 -5.973 1.00 22.21 N ATOM 1338 CD2 HIS A 87 -10.483 25.836 -5.109 1.00 44.21 C ATOM 1339 CE1 HIS A 87 -10.788 24.730 -6.978 1.00 13.42 C ATOM 1340 NE2 HIS A 87 -10.451 25.907 -6.480 1.00 61.35 N ATOM 0 H HIS A 87 -11.736 25.910 -1.937 1.00 33.50 H new ATOM 0 HA HIS A 87 -13.188 23.994 -3.630 1.00 62.31 H new ATOM 0 HB2 HIS A 87 -10.302 24.316 -2.749 1.00 31.10 H new ATOM 0 HB3 HIS A 87 -10.875 22.859 -3.536 1.00 31.10 H new ATOM 0 HD1 HIS A 87 -11.320 22.934 -6.065 1.00 22.21 H new ATOM 0 HD2 HIS A 87 -10.257 26.637 -4.421 1.00 44.21 H new ATOM 0 HE1 HIS A 87 -10.850 24.482 -8.027 1.00 13.42 H new ATOM 1348 N ILE A 88 -13.645 22.267 -1.931 1.00 22.13 N ATOM 1349 CA ILE A 88 -13.984 21.268 -0.926 1.00 60.51 C ATOM 1350 C ILE A 88 -13.608 19.866 -1.395 1.00 43.24 C ATOM 1351 O ILE A 88 -14.433 19.148 -1.959 1.00 20.44 O ATOM 1352 CB ILE A 88 -15.487 21.297 -0.587 1.00 4.00 C ATOM 1353 CG1 ILE A 88 -15.892 22.685 -0.088 1.00 12.00 C ATOM 1354 CG2 ILE A 88 -15.815 20.237 0.454 1.00 74.31 C ATOM 1355 CD1 ILE A 88 -15.188 23.098 1.186 1.00 52.43 C ATOM 0 H ILE A 88 -14.193 22.205 -2.789 1.00 22.13 H new ATOM 0 HA ILE A 88 -13.413 21.515 -0.031 1.00 60.51 H new ATOM 0 HB ILE A 88 -16.054 21.077 -1.492 1.00 4.00 H new ATOM 0 HG12 ILE A 88 -15.679 23.418 -0.866 1.00 12.00 H new ATOM 0 HG13 ILE A 88 -16.969 22.702 0.080 1.00 12.00 H new ATOM 0 HG21 ILE A 88 -16.880 20.270 0.683 1.00 74.31 H new ATOM 0 HG22 ILE A 88 -15.558 19.252 0.064 1.00 74.31 H new ATOM 0 HG23 ILE A 88 -15.242 20.429 1.361 1.00 74.31 H new ATOM 0 HD11 ILE A 88 -15.524 24.092 1.481 1.00 52.43 H new ATOM 0 HD12 ILE A 88 -15.421 22.386 1.978 1.00 52.43 H new ATOM 0 HD13 ILE A 88 -14.111 23.114 1.018 1.00 52.43 H new ATOM 1367 N ILE A 89 -12.357 19.485 -1.157 1.00 52.31 N ATOM 1368 CA ILE A 89 -11.873 18.168 -1.553 1.00 2.12 C ATOM 1369 C ILE A 89 -12.293 17.103 -0.548 1.00 33.44 C ATOM 1370 O ILE A 89 -12.208 17.306 0.664 1.00 54.32 O ATOM 1371 CB ILE A 89 -10.339 18.152 -1.690 1.00 61.14 C ATOM 1372 CG1 ILE A 89 -9.859 19.387 -2.456 1.00 34.11 C ATOM 1373 CG2 ILE A 89 -9.884 16.879 -2.389 1.00 44.31 C ATOM 1374 CD1 ILE A 89 -9.172 20.411 -1.581 1.00 20.34 C ATOM 0 H ILE A 89 -11.661 20.069 -0.693 1.00 52.31 H new ATOM 0 HA ILE A 89 -12.320 17.945 -2.522 1.00 2.12 H new ATOM 0 HB ILE A 89 -9.900 18.174 -0.693 1.00 61.14 H new ATOM 0 HG12 ILE A 89 -9.172 19.073 -3.242 1.00 34.11 H new ATOM 0 HG13 ILE A 89 -10.713 19.855 -2.947 1.00 34.11 H new ATOM 0 HG21 ILE A 89 -8.798 16.882 -2.479 1.00 44.31 H new ATOM 0 HG22 ILE A 89 -10.198 16.012 -1.807 1.00 44.31 H new ATOM 0 HG23 ILE A 89 -10.330 16.830 -3.382 1.00 44.31 H new ATOM 0 HD11 ILE A 89 -8.859 21.259 -2.190 1.00 20.34 H new ATOM 0 HD12 ILE A 89 -9.863 20.754 -0.811 1.00 20.34 H new ATOM 0 HD13 ILE A 89 -8.299 19.960 -1.110 1.00 20.34 H new ATOM 1386 N LYS A 90 -12.748 15.962 -1.057 1.00 41.21 N ATOM 1387 CA LYS A 90 -13.179 14.861 -0.206 1.00 33.30 C ATOM 1388 C LYS A 90 -12.679 13.526 -0.747 1.00 75.33 C ATOM 1389 O LYS A 90 -12.921 13.186 -1.906 1.00 24.22 O ATOM 1390 CB LYS A 90 -14.707 14.841 -0.098 1.00 24.21 C ATOM 1391 CG LYS A 90 -15.239 13.719 0.776 1.00 15.11 C ATOM 1392 CD LYS A 90 -16.682 13.384 0.436 1.00 42.42 C ATOM 1393 CE LYS A 90 -17.047 11.977 0.882 1.00 12.13 C ATOM 1394 NZ LYS A 90 -18.520 11.758 0.872 1.00 20.51 N ATOM 0 H LYS A 90 -12.827 15.777 -2.057 1.00 41.21 H new ATOM 0 HA LYS A 90 -12.752 15.013 0.786 1.00 33.30 H new ATOM 0 HB2 LYS A 90 -15.047 15.796 0.303 1.00 24.21 H new ATOM 0 HB3 LYS A 90 -15.132 14.745 -1.097 1.00 24.21 H new ATOM 0 HG2 LYS A 90 -14.619 12.832 0.648 1.00 15.11 H new ATOM 0 HG3 LYS A 90 -15.169 14.009 1.824 1.00 15.11 H new ATOM 0 HD2 LYS A 90 -17.346 14.103 0.916 1.00 42.42 H new ATOM 0 HD3 LYS A 90 -16.835 13.477 -0.639 1.00 42.42 H new ATOM 0 HE2 LYS A 90 -16.567 11.252 0.225 1.00 12.13 H new ATOM 0 HE3 LYS A 90 -16.660 11.802 1.886 1.00 12.13 H new ATOM 0 HZ1 LYS A 90 -18.745 10.889 1.398 1.00 20.51 H new ATOM 0 HZ2 LYS A 90 -18.994 12.567 1.321 1.00 20.51 H new ATOM 0 HZ3 LYS A 90 -18.850 11.664 -0.110 1.00 20.51 H new ATOM 1408 N ARG A 91 -11.984 12.773 0.099 1.00 64.25 N ATOM 1409 CA ARG A 91 -11.451 11.475 -0.296 1.00 23.53 C ATOM 1410 C ARG A 91 -12.552 10.418 -0.318 1.00 60.34 C ATOM 1411 O ARG A 91 -13.468 10.443 0.504 1.00 60.54 O ATOM 1412 CB ARG A 91 -10.337 11.044 0.661 1.00 41.21 C ATOM 1413 CG ARG A 91 -9.621 9.774 0.230 1.00 3.12 C ATOM 1414 CD ARG A 91 -8.184 9.750 0.728 1.00 71.35 C ATOM 1415 NE ARG A 91 -7.659 8.390 0.815 1.00 31.51 N ATOM 1416 CZ ARG A 91 -6.370 8.109 0.970 1.00 22.21 C ATOM 1417 NH1 ARG A 91 -5.480 9.087 1.056 1.00 42.41 N ATOM 1418 NH2 ARG A 91 -5.969 6.846 1.040 1.00 23.23 N ATOM 0 H ARG A 91 -11.777 13.039 1.062 1.00 64.25 H new ATOM 0 HA ARG A 91 -11.041 11.570 -1.302 1.00 23.53 H new ATOM 0 HB2 ARG A 91 -9.609 11.851 0.744 1.00 41.21 H new ATOM 0 HB3 ARG A 91 -10.761 10.893 1.654 1.00 41.21 H new ATOM 0 HG2 ARG A 91 -10.155 8.905 0.614 1.00 3.12 H new ATOM 0 HG3 ARG A 91 -9.632 9.700 -0.857 1.00 3.12 H new ATOM 0 HD2 ARG A 91 -7.558 10.338 0.057 1.00 71.35 H new ATOM 0 HD3 ARG A 91 -8.132 10.222 1.709 1.00 71.35 H new ATOM 0 HE ARG A 91 -8.318 7.614 0.753 1.00 31.51 H new ATOM 0 HH11 ARG A 91 -5.784 10.059 1.003 1.00 42.41 H new ATOM 0 HH12 ARG A 91 -4.491 8.868 1.175 1.00 42.41 H new ATOM 0 HH21 ARG A 91 -6.651 6.090 0.975 1.00 23.23 H new ATOM 0 HH22 ARG A 91 -4.979 6.631 1.159 1.00 23.23 H new ATOM 1432 N PHE A 92 -12.457 9.492 -1.267 1.00 3.01 N ATOM 1433 CA PHE A 92 -13.445 8.428 -1.398 1.00 35.50 C ATOM 1434 C PHE A 92 -12.780 7.056 -1.330 1.00 41.44 C ATOM 1435 O PHE A 92 -13.366 6.094 -0.836 1.00 75.43 O ATOM 1436 CB PHE A 92 -14.209 8.573 -2.716 1.00 31.34 C ATOM 1437 CG PHE A 92 -15.294 9.610 -2.669 1.00 52.14 C ATOM 1438 CD1 PHE A 92 -14.979 10.958 -2.614 1.00 15.33 C ATOM 1439 CD2 PHE A 92 -16.628 9.237 -2.680 1.00 33.50 C ATOM 1440 CE1 PHE A 92 -15.976 11.916 -2.571 1.00 0.11 C ATOM 1441 CE2 PHE A 92 -17.629 10.190 -2.638 1.00 20.21 C ATOM 1442 CZ PHE A 92 -17.302 11.531 -2.581 1.00 60.45 C ATOM 0 H PHE A 92 -11.706 9.457 -1.956 1.00 3.01 H new ATOM 0 HA PHE A 92 -14.146 8.513 -0.568 1.00 35.50 H new ATOM 0 HB2 PHE A 92 -13.506 8.830 -3.508 1.00 31.34 H new ATOM 0 HB3 PHE A 92 -14.648 7.611 -2.980 1.00 31.34 H new ATOM 0 HD1 PHE A 92 -13.943 11.264 -2.605 1.00 15.33 H new ATOM 0 HD2 PHE A 92 -16.889 8.190 -2.722 1.00 33.50 H new ATOM 0 HE1 PHE A 92 -15.718 12.964 -2.530 1.00 0.11 H new ATOM 0 HE2 PHE A 92 -18.665 9.886 -2.650 1.00 20.21 H new ATOM 0 HZ PHE A 92 -18.082 12.277 -2.544 1.00 60.45 H new ATOM 1452 N GLY A 93 -11.551 6.975 -1.832 1.00 35.20 N ATOM 1453 CA GLY A 93 -10.827 5.718 -1.820 1.00 0.43 C ATOM 1454 C GLY A 93 -10.770 5.094 -0.440 1.00 13.11 C ATOM 1455 O GLY A 93 -9.755 4.515 -0.054 1.00 73.25 O ATOM 0 H GLY A 93 -11.045 7.757 -2.246 1.00 35.20 H new ATOM 0 HA2 GLY A 93 -11.303 5.022 -2.511 1.00 0.43 H new ATOM 0 HA3 GLY A 93 -9.812 5.883 -2.183 1.00 0.43 H new TER 1459 GLY A 93