USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 481 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 48 TYR OH : rot 31:sc= 0.791 USER MOD Set 1.2: A 57 HIS : no HE2:sc= 0.86 K(o=1.7,f=-5.3!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 1.07 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 150:sc= 1.19 (180deg=-0.402) USER MOD Single : A 1 ALA N :NH3+ -170:sc= -0.017 (180deg=-0.136) USER MOD Single : A 2 SER OG : rot -54:sc= 1.22 USER MOD Single : A 3 MET CE :methyl -164:sc= -0.108 (180deg=-0.455) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.02 (180deg=-0.194) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 1.2 (180deg=1.03) USER MOD Single : A 21 HIS : no HE2:sc= 0.223 K(o=0.22,f=-4.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 56:sc= 0.492 USER MOD Single : A 25 SER OG : rot 180:sc= 0.027 USER MOD Single : A 26 SER OG : rot 160:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -0.0439 (180deg=-0.239) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc=-0.00105 X(o=-0.001,f=-0.033) USER MOD Single : A 53 THR OG1 : rot 63:sc= 1.07 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 63.193 5.910 4.933 1.00 0.00 N ATOM 2 CA ALA A 1 62.732 6.019 3.539 1.00 0.00 C ATOM 3 C ALA A 1 61.386 6.738 3.454 1.00 0.00 C ATOM 4 O ALA A 1 61.121 7.451 2.494 1.00 0.00 O ATOM 5 CB ALA A 1 62.646 4.646 2.894 1.00 0.00 C ATOM 0 H1 ALA A 1 64.177 5.574 4.948 1.00 0.00 H new ATOM 0 H2 ALA A 1 63.139 6.842 5.391 1.00 0.00 H new ATOM 0 H3 ALA A 1 62.589 5.237 5.447 1.00 0.00 H new ATOM 0 HA ALA A 1 63.464 6.614 2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 1 62.303 4.749 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 1 63.630 4.177 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 1 61.943 4.026 3.450 1.00 0.00 H new ATOM 13 N SER A 2 60.545 6.563 4.466 1.00 0.00 N ATOM 14 CA SER A 2 59.228 7.187 4.480 1.00 0.00 C ATOM 15 C SER A 2 59.280 8.636 5.006 1.00 0.00 C ATOM 16 O SER A 2 58.250 9.298 5.120 1.00 0.00 O ATOM 17 CB SER A 2 58.256 6.350 5.320 1.00 0.00 C ATOM 18 OG SER A 2 58.158 5.015 4.826 1.00 0.00 O ATOM 0 H SER A 2 60.751 5.994 5.287 1.00 0.00 H new ATOM 0 HA SER A 2 58.873 7.228 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 2 58.591 6.332 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 57.271 6.816 5.311 1.00 0.00 H new ATOM 0 HG SER A 2 57.924 5.035 3.875 1.00 0.00 H new ATOM 24 N MET A 3 60.481 9.128 5.323 1.00 0.00 N ATOM 25 CA MET A 3 60.628 10.502 5.813 1.00 0.00 C ATOM 26 C MET A 3 60.494 11.500 4.673 1.00 0.00 C ATOM 27 O MET A 3 59.903 12.571 4.837 1.00 0.00 O ATOM 28 CB MET A 3 61.970 10.717 6.532 1.00 0.00 C ATOM 29 CG MET A 3 62.090 10.013 7.872 1.00 0.00 C ATOM 30 SD MET A 3 63.629 10.408 8.737 1.00 0.00 S ATOM 31 CE MET A 3 64.854 9.778 7.585 1.00 0.00 C ATOM 0 H MET A 3 61.354 8.605 5.251 1.00 0.00 H new ATOM 0 HA MET A 3 59.827 10.667 6.534 1.00 0.00 H new ATOM 0 HB2 MET A 3 62.774 10.372 5.882 1.00 0.00 H new ATOM 0 HB3 MET A 3 62.119 11.786 6.684 1.00 0.00 H new ATOM 0 HG2 MET A 3 61.244 10.291 8.500 1.00 0.00 H new ATOM 0 HG3 MET A 3 62.032 8.936 7.718 1.00 0.00 H new ATOM 0 HE1 MET A 3 65.816 9.688 8.090 1.00 0.00 H new ATOM 0 HE2 MET A 3 64.542 8.799 7.221 1.00 0.00 H new ATOM 0 HE3 MET A 3 64.949 10.464 6.743 1.00 0.00 H new ATOM 41 N GLY A 4 61.022 11.137 3.512 1.00 0.00 N ATOM 42 CA GLY A 4 60.979 12.023 2.362 1.00 0.00 C ATOM 43 C GLY A 4 59.659 11.964 1.616 1.00 0.00 C ATOM 44 O GLY A 4 59.645 11.843 0.392 1.00 0.00 O ATOM 0 H GLY A 4 61.481 10.242 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 61.158 13.046 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 61.788 11.762 1.679 1.00 0.00 H new ATOM 48 N LYS A 5 58.557 12.048 2.369 1.00 0.00 N ATOM 49 CA LYS A 5 57.188 12.033 1.824 1.00 0.00 C ATOM 50 C LYS A 5 56.828 10.710 1.161 1.00 0.00 C ATOM 51 O LYS A 5 57.357 10.356 0.100 1.00 0.00 O ATOM 52 CB LYS A 5 56.953 13.185 0.844 1.00 0.00 C ATOM 53 CG LYS A 5 57.057 14.561 1.470 1.00 0.00 C ATOM 54 CD LYS A 5 56.578 15.640 0.511 1.00 0.00 C ATOM 55 CE LYS A 5 57.403 15.670 -0.765 1.00 0.00 C ATOM 56 NZ LYS A 5 56.955 16.748 -1.675 1.00 0.00 N ATOM 0 H LYS A 5 58.587 12.129 3.385 1.00 0.00 H new ATOM 0 HA LYS A 5 56.531 12.162 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 5 57.677 13.111 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 5 55.964 13.074 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 5 56.463 14.593 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 5 58.091 14.757 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 5 55.531 15.466 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 5 56.632 16.612 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 5 58.454 15.816 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 5 57.326 14.708 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 57.539 16.741 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 55.959 16.595 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 57.052 17.667 -1.199 1.00 0.00 H new ATOM 70 N SER A 6 55.915 9.995 1.777 1.00 0.00 N ATOM 71 CA SER A 6 55.438 8.749 1.233 1.00 0.00 C ATOM 72 C SER A 6 54.447 9.022 0.102 1.00 0.00 C ATOM 73 O SER A 6 53.279 9.323 0.346 1.00 0.00 O ATOM 74 CB SER A 6 54.800 7.902 2.342 1.00 0.00 C ATOM 75 OG SER A 6 53.982 8.700 3.191 1.00 0.00 O ATOM 0 H SER A 6 55.486 10.260 2.663 1.00 0.00 H new ATOM 0 HA SER A 6 56.276 8.187 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 54.201 7.107 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.581 7.421 2.931 1.00 0.00 H new ATOM 0 HG SER A 6 53.586 8.136 3.888 1.00 0.00 H new ATOM 81 N LYS A 7 54.930 8.951 -1.137 1.00 0.00 N ATOM 82 CA LYS A 7 54.097 9.245 -2.295 1.00 0.00 C ATOM 83 C LYS A 7 54.778 8.835 -3.602 1.00 0.00 C ATOM 84 O LYS A 7 54.130 8.298 -4.504 1.00 0.00 O ATOM 85 CB LYS A 7 53.761 10.748 -2.334 1.00 0.00 C ATOM 86 CG LYS A 7 52.913 11.176 -3.525 1.00 0.00 C ATOM 87 CD LYS A 7 51.527 10.549 -3.486 1.00 0.00 C ATOM 88 CE LYS A 7 50.704 10.955 -4.699 1.00 0.00 C ATOM 89 NZ LYS A 7 51.285 10.438 -5.967 1.00 0.00 N ATOM 0 H LYS A 7 55.891 8.693 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 7 53.180 8.664 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 7 53.236 11.014 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 7 54.692 11.315 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 7 52.821 12.262 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 7 53.415 10.891 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 7 51.617 9.463 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 7 51.012 10.855 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 7 49.686 10.581 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 7 50.641 12.042 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 50.592 10.543 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 52.144 10.976 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 51.526 9.433 -5.854 1.00 0.00 H new ATOM 103 N GLU A 8 56.079 9.085 -3.701 1.00 0.00 N ATOM 104 CA GLU A 8 56.812 8.809 -4.932 1.00 0.00 C ATOM 105 C GLU A 8 56.956 7.315 -5.180 1.00 0.00 C ATOM 106 O GLU A 8 56.550 6.812 -6.229 1.00 0.00 O ATOM 107 CB GLU A 8 58.188 9.472 -4.913 1.00 0.00 C ATOM 108 CG GLU A 8 58.942 9.347 -6.228 1.00 0.00 C ATOM 109 CD GLU A 8 60.247 10.101 -6.227 1.00 0.00 C ATOM 110 OE1 GLU A 8 60.248 11.288 -5.855 1.00 0.00 O ATOM 111 OE2 GLU A 8 61.288 9.511 -6.593 1.00 0.00 O ATOM 0 H GLU A 8 56.646 9.476 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 8 56.230 9.233 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 8 58.070 10.528 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 8 58.786 9.027 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 8 59.136 8.294 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 8 58.314 9.718 -7.038 1.00 0.00 H new ATOM 118 N ILE A 9 57.523 6.612 -4.220 1.00 0.00 N ATOM 119 CA ILE A 9 57.737 5.187 -4.360 1.00 0.00 C ATOM 120 C ILE A 9 56.419 4.444 -4.229 1.00 0.00 C ATOM 121 O ILE A 9 55.749 4.536 -3.208 1.00 0.00 O ATOM 122 CB ILE A 9 58.753 4.663 -3.316 1.00 0.00 C ATOM 123 CG1 ILE A 9 60.082 5.413 -3.450 1.00 0.00 C ATOM 124 CG2 ILE A 9 58.970 3.163 -3.469 1.00 0.00 C ATOM 125 CD1 ILE A 9 60.678 5.363 -4.843 1.00 0.00 C ATOM 0 H ILE A 9 57.844 7.005 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 9 58.153 5.006 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 9 58.345 4.844 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 9 59.930 6.455 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 9 60.798 4.993 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 59.688 2.821 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 9 58.023 2.642 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 9 59.354 2.951 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 9 61.617 5.916 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 9 60.864 4.326 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 9 59.982 5.811 -5.553 1.00 0.00 H new ATOM 137 N SER A 10 56.056 3.721 -5.276 1.00 0.00 N ATOM 138 CA SER A 10 54.796 2.993 -5.330 1.00 0.00 C ATOM 139 C SER A 10 54.603 2.052 -4.136 1.00 0.00 C ATOM 140 O SER A 10 53.527 2.006 -3.560 1.00 0.00 O ATOM 141 CB SER A 10 54.692 2.225 -6.644 1.00 0.00 C ATOM 142 OG SER A 10 54.782 3.111 -7.754 1.00 0.00 O ATOM 0 H SER A 10 56.627 3.621 -6.115 1.00 0.00 H new ATOM 0 HA SER A 10 53.995 3.730 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 55.487 1.482 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 10 53.747 1.684 -6.680 1.00 0.00 H new ATOM 0 HG SER A 10 54.715 2.599 -8.587 1.00 0.00 H new ATOM 148 N GLN A 11 55.644 1.315 -3.761 1.00 0.00 N ATOM 149 CA GLN A 11 55.543 0.395 -2.629 1.00 0.00 C ATOM 150 C GLN A 11 55.420 1.166 -1.318 1.00 0.00 C ATOM 151 O GLN A 11 54.678 0.772 -0.423 1.00 0.00 O ATOM 152 CB GLN A 11 56.744 -0.548 -2.575 1.00 0.00 C ATOM 153 CG GLN A 11 56.621 -1.631 -1.515 1.00 0.00 C ATOM 154 CD GLN A 11 57.812 -2.557 -1.495 1.00 0.00 C ATOM 155 OE1 GLN A 11 57.843 -3.563 -2.203 1.00 0.00 O ATOM 156 NE2 GLN A 11 58.798 -2.233 -0.688 1.00 0.00 N ATOM 0 H GLN A 11 56.557 1.334 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 11 54.644 -0.205 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 11 56.870 -1.018 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 11 57.645 0.035 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 11 56.510 -1.166 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 11 55.716 -2.211 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 11 58.734 -1.390 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 11 59.627 -2.824 -0.633 1.00 0.00 H new ATOM 165 N ASP A 12 56.138 2.272 -1.227 1.00 0.00 N ATOM 166 CA ASP A 12 56.107 3.120 -0.036 1.00 0.00 C ATOM 167 C ASP A 12 54.725 3.766 0.098 1.00 0.00 C ATOM 168 O ASP A 12 54.174 3.868 1.193 1.00 0.00 O ATOM 169 CB ASP A 12 57.207 4.182 -0.130 1.00 0.00 C ATOM 170 CG ASP A 12 57.328 5.053 1.105 1.00 0.00 C ATOM 171 OD1 ASP A 12 57.809 4.561 2.154 1.00 0.00 O ATOM 172 OD2 ASP A 12 56.989 6.242 1.014 1.00 0.00 O ATOM 0 H ASP A 12 56.755 2.610 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 12 56.291 2.517 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.162 3.687 -0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 12 57.011 4.818 -0.993 1.00 0.00 H new ATOM 177 N LEU A 13 54.162 4.170 -1.037 1.00 0.00 N ATOM 178 CA LEU A 13 52.814 4.729 -1.086 1.00 0.00 C ATOM 179 C LEU A 13 51.784 3.630 -0.810 1.00 0.00 C ATOM 180 O LEU A 13 50.740 3.872 -0.193 1.00 0.00 O ATOM 181 CB LEU A 13 52.557 5.367 -2.459 1.00 0.00 C ATOM 182 CG LEU A 13 51.132 5.877 -2.712 1.00 0.00 C ATOM 183 CD1 LEU A 13 50.766 6.984 -1.734 1.00 0.00 C ATOM 184 CD2 LEU A 13 50.991 6.363 -4.143 1.00 0.00 C ATOM 0 H LEU A 13 54.624 4.120 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 13 52.720 5.500 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 13 53.247 6.202 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 13 52.801 4.634 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 13 50.442 5.048 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 13 49.751 7.327 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 13 50.824 6.603 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 13 51.460 7.816 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 13 49.975 6.722 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 51.696 7.175 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 13 51.201 5.542 -4.828 1.00 0.00 H new ATOM 196 N ARG A 14 52.092 2.422 -1.269 1.00 0.00 N ATOM 197 CA ARG A 14 51.242 1.263 -1.039 1.00 0.00 C ATOM 198 C ARG A 14 51.187 0.973 0.454 1.00 0.00 C ATOM 199 O ARG A 14 50.165 0.558 0.987 1.00 0.00 O ATOM 200 CB ARG A 14 51.798 0.050 -1.794 1.00 0.00 C ATOM 201 CG ARG A 14 50.837 -1.120 -1.911 1.00 0.00 C ATOM 202 CD ARG A 14 51.503 -2.302 -2.601 1.00 0.00 C ATOM 203 NE ARG A 14 50.541 -3.342 -2.976 1.00 0.00 N ATOM 204 CZ ARG A 14 50.730 -4.653 -2.798 1.00 0.00 C ATOM 205 NH1 ARG A 14 51.814 -5.104 -2.174 1.00 0.00 N ATOM 206 NH2 ARG A 14 49.820 -5.514 -3.237 1.00 0.00 N ATOM 0 H ARG A 14 52.934 2.221 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 14 50.236 1.468 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 14 52.089 0.365 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 14 52.703 -0.290 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 14 50.497 -1.417 -0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 14 49.954 -0.816 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 14 52.023 -1.953 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 14 52.256 -2.729 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 14 49.664 -3.044 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 14 52.512 -4.447 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 14 51.947 -6.107 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 14 48.981 -5.174 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 14 49.959 -6.516 -3.104 1.00 0.00 H new ATOM 220 N LYS A 15 52.304 1.208 1.121 1.00 0.00 N ATOM 221 CA LYS A 15 52.392 1.036 2.554 1.00 0.00 C ATOM 222 C LYS A 15 51.667 2.190 3.246 1.00 0.00 C ATOM 223 O LYS A 15 51.050 2.007 4.282 1.00 0.00 O ATOM 224 CB LYS A 15 53.874 0.968 2.980 1.00 0.00 C ATOM 225 CG LYS A 15 54.126 0.524 4.426 1.00 0.00 C ATOM 226 CD LYS A 15 54.002 1.674 5.419 1.00 0.00 C ATOM 227 CE LYS A 15 54.423 1.241 6.818 1.00 0.00 C ATOM 228 NZ LYS A 15 54.344 2.353 7.804 1.00 0.00 N ATOM 0 H LYS A 15 53.170 1.522 0.683 1.00 0.00 H new ATOM 0 HA LYS A 15 51.914 0.102 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 54.395 0.282 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 15 54.320 1.952 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 15 53.416 -0.259 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 15 55.123 0.089 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 15 54.622 2.509 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.972 2.030 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 15 53.786 0.420 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 15 55.444 0.860 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 54.990 2.161 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 54.616 3.245 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.371 2.431 8.162 1.00 0.00 H new ATOM 242 N LYS A 16 51.735 3.371 2.639 1.00 0.00 N ATOM 243 CA LYS A 16 51.083 4.569 3.170 1.00 0.00 C ATOM 244 C LYS A 16 49.570 4.376 3.280 1.00 0.00 C ATOM 245 O LYS A 16 48.981 4.630 4.329 1.00 0.00 O ATOM 246 CB LYS A 16 51.372 5.767 2.269 1.00 0.00 C ATOM 247 CG LYS A 16 50.818 7.084 2.790 1.00 0.00 C ATOM 248 CD LYS A 16 50.799 8.134 1.695 1.00 0.00 C ATOM 249 CE LYS A 16 50.509 9.519 2.244 1.00 0.00 C ATOM 250 NZ LYS A 16 51.580 9.982 3.156 1.00 0.00 N ATOM 0 H LYS A 16 52.242 3.527 1.767 1.00 0.00 H new ATOM 0 HA LYS A 16 51.484 4.750 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 52.451 5.863 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 16 50.953 5.574 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 16 49.808 6.933 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.425 7.434 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 16 51.761 8.141 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 16 50.044 7.872 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 16 50.404 10.223 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 16 49.558 9.508 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.649 11.019 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 51.357 9.690 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.487 9.562 2.868 1.00 0.00 H new ATOM 264 N ILE A 17 48.946 3.922 2.191 1.00 0.00 N ATOM 265 CA ILE A 17 47.497 3.717 2.171 1.00 0.00 C ATOM 266 C ILE A 17 47.083 2.650 3.200 1.00 0.00 C ATOM 267 O ILE A 17 45.960 2.670 3.722 1.00 0.00 O ATOM 268 CB ILE A 17 46.981 3.339 0.745 1.00 0.00 C ATOM 269 CG1 ILE A 17 45.446 3.314 0.710 1.00 0.00 C ATOM 270 CG2 ILE A 17 47.548 2.001 0.289 1.00 0.00 C ATOM 271 CD1 ILE A 17 44.865 3.019 -0.660 1.00 0.00 C ATOM 0 H ILE A 17 49.418 3.691 1.317 1.00 0.00 H new ATOM 0 HA ILE A 17 47.032 4.664 2.445 1.00 0.00 H new ATOM 0 HB ILE A 17 47.330 4.105 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 17 45.089 2.563 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 17 45.069 4.277 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 17 47.171 1.766 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 17 48.636 2.058 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 17 47.244 1.220 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 17 43.777 3.019 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 17 45.190 3.784 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 17 45.210 2.042 -0.999 1.00 0.00 H new ATOM 283 N VAL A 18 48.002 1.742 3.496 1.00 0.00 N ATOM 284 CA VAL A 18 47.773 0.709 4.491 1.00 0.00 C ATOM 285 C VAL A 18 48.009 1.268 5.901 1.00 0.00 C ATOM 286 O VAL A 18 47.267 0.971 6.837 1.00 0.00 O ATOM 287 CB VAL A 18 48.698 -0.507 4.250 1.00 0.00 C ATOM 288 CG1 VAL A 18 48.598 -1.499 5.390 1.00 0.00 C ATOM 289 CG2 VAL A 18 48.355 -1.183 2.931 1.00 0.00 C ATOM 0 H VAL A 18 48.921 1.702 3.055 1.00 0.00 H new ATOM 0 HA VAL A 18 46.738 0.380 4.403 1.00 0.00 H new ATOM 0 HB VAL A 18 49.725 -0.145 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 18 49.258 -2.344 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.893 -1.015 6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 18 47.571 -1.853 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 18 49.015 -2.036 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 18 47.320 -1.525 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 48.483 -0.473 2.114 1.00 0.00 H new ATOM 299 N ASP A 19 49.032 2.092 6.028 1.00 0.00 N ATOM 300 CA ASP A 19 49.381 2.717 7.296 1.00 0.00 C ATOM 301 C ASP A 19 48.261 3.628 7.756 1.00 0.00 C ATOM 302 O ASP A 19 47.807 3.561 8.903 1.00 0.00 O ATOM 303 CB ASP A 19 50.666 3.527 7.142 1.00 0.00 C ATOM 304 CG ASP A 19 51.195 4.040 8.458 1.00 0.00 C ATOM 305 OD1 ASP A 19 50.684 5.070 8.961 1.00 0.00 O ATOM 306 OD2 ASP A 19 52.130 3.421 8.997 1.00 0.00 O ATOM 0 H ASP A 19 49.647 2.349 5.256 1.00 0.00 H new ATOM 0 HA ASP A 19 49.534 1.935 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.426 2.907 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.481 4.370 6.477 1.00 0.00 H new ATOM 311 N LEU A 20 47.799 4.465 6.848 1.00 0.00 N ATOM 312 CA LEU A 20 46.721 5.385 7.136 1.00 0.00 C ATOM 313 C LEU A 20 45.414 4.626 7.368 1.00 0.00 C ATOM 314 O LEU A 20 44.476 5.147 7.975 1.00 0.00 O ATOM 315 CB LEU A 20 46.585 6.413 6.009 1.00 0.00 C ATOM 316 CG LEU A 20 47.809 7.320 5.801 1.00 0.00 C ATOM 317 CD1 LEU A 20 47.539 8.360 4.731 1.00 0.00 C ATOM 318 CD2 LEU A 20 48.214 7.995 7.106 1.00 0.00 C ATOM 0 H LEU A 20 48.159 4.525 5.896 1.00 0.00 H new ATOM 0 HA LEU A 20 46.953 5.925 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 20 46.382 5.884 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 45.718 7.041 6.214 1.00 0.00 H new ATOM 0 HG LEU A 20 48.635 6.692 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 20 48.421 8.988 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 20 47.309 7.862 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 20 46.693 8.979 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 49.082 8.631 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 47.387 8.602 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 48.463 7.235 7.847 1.00 0.00 H new ATOM 330 N HIS A 21 45.375 3.382 6.906 1.00 0.00 N ATOM 331 CA HIS A 21 44.229 2.511 7.125 1.00 0.00 C ATOM 332 C HIS A 21 44.165 2.105 8.585 1.00 0.00 C ATOM 333 O HIS A 21 43.096 2.086 9.191 1.00 0.00 O ATOM 334 CB HIS A 21 44.328 1.261 6.252 1.00 0.00 C ATOM 335 CG HIS A 21 43.256 1.156 5.230 1.00 0.00 C ATOM 336 ND1 HIS A 21 43.320 1.790 4.012 1.00 0.00 N ATOM 337 CD2 HIS A 21 42.079 0.495 5.250 1.00 0.00 C ATOM 338 CE1 HIS A 21 42.231 1.533 3.325 1.00 0.00 C ATOM 339 NE2 HIS A 21 41.456 0.747 4.049 1.00 0.00 N ATOM 0 H HIS A 21 46.131 2.952 6.373 1.00 0.00 H new ATOM 0 HA HIS A 21 43.324 3.056 6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 21 45.296 1.255 5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 21 44.295 0.379 6.892 1.00 0.00 H new ATOM 0 HD1 HIS A 21 44.095 2.371 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 21 41.699 -0.116 6.056 1.00 0.00 H new ATOM 0 HE1 HIS A 21 42.007 1.902 2.335 1.00 0.00 H new ATOM 347 N LYS A 22 45.327 1.801 9.151 1.00 0.00 N ATOM 348 CA LYS A 22 45.420 1.402 10.550 1.00 0.00 C ATOM 349 C LYS A 22 45.316 2.615 11.453 1.00 0.00 C ATOM 350 O LYS A 22 45.148 2.489 12.663 1.00 0.00 O ATOM 351 CB LYS A 22 46.732 0.661 10.818 1.00 0.00 C ATOM 352 CG LYS A 22 46.912 -0.601 9.987 1.00 0.00 C ATOM 353 CD LYS A 22 45.775 -1.595 10.206 1.00 0.00 C ATOM 354 CE LYS A 22 45.715 -2.086 11.642 1.00 0.00 C ATOM 355 NZ LYS A 22 44.647 -3.099 11.832 1.00 0.00 N ATOM 0 H LYS A 22 46.221 1.823 8.660 1.00 0.00 H new ATOM 0 HA LYS A 22 44.591 0.728 10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.565 1.336 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 22 46.779 0.398 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 22 46.964 -0.336 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 22 47.861 -1.072 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 22 44.827 -1.125 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 22 45.904 -2.446 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 22 46.677 -2.515 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 22 45.538 -1.242 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 44.637 -3.411 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 43.726 -2.682 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 44.829 -3.916 11.215 1.00 0.00 H new ATOM 369 N SER A 23 45.422 3.785 10.856 1.00 0.00 N ATOM 370 CA SER A 23 45.308 5.026 11.589 1.00 0.00 C ATOM 371 C SER A 23 43.844 5.310 11.921 1.00 0.00 C ATOM 372 O SER A 23 43.535 5.953 12.926 1.00 0.00 O ATOM 373 CB SER A 23 45.900 6.167 10.774 1.00 0.00 C ATOM 374 OG SER A 23 47.255 5.901 10.430 1.00 0.00 O ATOM 0 H SER A 23 45.588 3.901 9.856 1.00 0.00 H new ATOM 0 HA SER A 23 45.863 4.939 12.523 1.00 0.00 H new ATOM 0 HB2 SER A 23 45.313 6.313 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 23 45.841 7.094 11.344 1.00 0.00 H new ATOM 0 HG SER A 23 47.310 5.047 9.952 1.00 0.00 H new ATOM 380 N GLY A 24 42.947 4.828 11.068 1.00 0.00 N ATOM 381 CA GLY A 24 41.526 5.004 11.296 1.00 0.00 C ATOM 382 C GLY A 24 41.016 6.356 10.840 1.00 0.00 C ATOM 383 O GLY A 24 40.160 6.439 9.959 1.00 0.00 O ATOM 0 H GLY A 24 43.181 4.316 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 40.980 4.220 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 24 41.316 4.882 12.359 1.00 0.00 H new ATOM 387 N SER A 25 41.560 7.411 11.417 1.00 0.00 N ATOM 388 CA SER A 25 41.139 8.774 11.117 1.00 0.00 C ATOM 389 C SER A 25 41.687 9.265 9.773 1.00 0.00 C ATOM 390 O SER A 25 41.456 10.406 9.376 1.00 0.00 O ATOM 391 CB SER A 25 41.600 9.696 12.241 1.00 0.00 C ATOM 392 OG SER A 25 42.979 9.492 12.524 1.00 0.00 O ATOM 0 H SER A 25 42.308 7.351 12.108 1.00 0.00 H new ATOM 0 HA SER A 25 40.052 8.785 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 25 41.431 10.735 11.958 1.00 0.00 H new ATOM 0 HB3 SER A 25 41.008 9.510 13.137 1.00 0.00 H new ATOM 0 HG SER A 25 43.257 10.093 13.246 1.00 0.00 H new ATOM 398 N SER A 26 42.400 8.407 9.077 1.00 0.00 N ATOM 399 CA SER A 26 42.987 8.771 7.807 1.00 0.00 C ATOM 400 C SER A 26 42.300 8.040 6.646 1.00 0.00 C ATOM 401 O SER A 26 42.781 8.071 5.512 1.00 0.00 O ATOM 402 CB SER A 26 44.479 8.459 7.829 1.00 0.00 C ATOM 403 OG SER A 26 45.106 9.036 8.968 1.00 0.00 O ATOM 0 H SER A 26 42.588 7.448 9.371 1.00 0.00 H new ATOM 0 HA SER A 26 42.844 9.840 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 26 44.628 7.379 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 26 44.947 8.839 6.921 1.00 0.00 H new ATOM 0 HG SER A 26 45.955 8.578 9.141 1.00 0.00 H new ATOM 409 N LEU A 27 41.165 7.407 6.932 1.00 0.00 N ATOM 410 CA LEU A 27 40.425 6.654 5.914 1.00 0.00 C ATOM 411 C LEU A 27 39.823 7.579 4.865 1.00 0.00 C ATOM 412 O LEU A 27 40.017 7.378 3.664 1.00 0.00 O ATOM 413 CB LEU A 27 39.321 5.800 6.557 1.00 0.00 C ATOM 414 CG LEU A 27 39.666 4.326 6.818 1.00 0.00 C ATOM 415 CD1 LEU A 27 39.881 3.586 5.508 1.00 0.00 C ATOM 416 CD2 LEU A 27 40.894 4.203 7.706 1.00 0.00 C ATOM 0 H LEU A 27 40.736 7.398 7.857 1.00 0.00 H new ATOM 0 HA LEU A 27 41.137 5.994 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 27 39.042 6.259 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 38.442 5.837 5.914 1.00 0.00 H new ATOM 0 HG LEU A 27 38.824 3.871 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 27 40.124 2.544 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 27 38.971 3.635 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 40.702 4.048 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 27 41.117 3.149 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 41.745 4.680 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.702 4.691 8.661 1.00 0.00 H new ATOM 428 N GLY A 28 39.108 8.594 5.321 1.00 0.00 N ATOM 429 CA GLY A 28 38.480 9.533 4.411 1.00 0.00 C ATOM 430 C GLY A 28 39.497 10.325 3.621 1.00 0.00 C ATOM 431 O GLY A 28 39.215 10.794 2.511 1.00 0.00 O ATOM 0 H GLY A 28 38.949 8.787 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 37.829 8.992 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 28 37.848 10.218 4.976 1.00 0.00 H new ATOM 435 N ALA A 29 40.685 10.467 4.189 1.00 0.00 N ATOM 436 CA ALA A 29 41.762 11.188 3.547 1.00 0.00 C ATOM 437 C ALA A 29 42.203 10.474 2.280 1.00 0.00 C ATOM 438 O ALA A 29 42.052 10.998 1.184 1.00 0.00 O ATOM 439 CB ALA A 29 42.934 11.358 4.503 1.00 0.00 C ATOM 0 H ALA A 29 40.924 10.086 5.104 1.00 0.00 H new ATOM 0 HA ALA A 29 41.397 12.178 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 29 43.735 11.903 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.609 11.916 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.298 10.378 4.810 1.00 0.00 H new ATOM 445 N ILE A 30 42.712 9.257 2.436 1.00 0.00 N ATOM 446 CA ILE A 30 43.194 8.468 1.302 1.00 0.00 C ATOM 447 C ILE A 30 42.078 8.157 0.309 1.00 0.00 C ATOM 448 O ILE A 30 42.303 8.145 -0.904 1.00 0.00 O ATOM 449 CB ILE A 30 43.848 7.144 1.764 1.00 0.00 C ATOM 450 CG1 ILE A 30 42.938 6.407 2.759 1.00 0.00 C ATOM 451 CG2 ILE A 30 45.215 7.412 2.368 1.00 0.00 C ATOM 452 CD1 ILE A 30 43.510 5.106 3.279 1.00 0.00 C ATOM 0 H ILE A 30 42.803 8.792 3.339 1.00 0.00 H new ATOM 0 HA ILE A 30 43.946 9.081 0.804 1.00 0.00 H new ATOM 0 HB ILE A 30 43.981 6.500 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 30 42.735 7.065 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 30 41.982 6.203 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 45.662 6.471 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.856 7.883 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 45.110 8.074 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 30 42.805 4.651 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 30 43.686 4.427 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 30 44.451 5.302 3.793 1.00 0.00 H new ATOM 464 N SER A 31 40.879 7.929 0.826 1.00 0.00 N ATOM 465 CA SER A 31 39.737 7.589 -0.003 1.00 0.00 C ATOM 466 C SER A 31 39.393 8.719 -0.978 1.00 0.00 C ATOM 467 O SER A 31 39.129 8.472 -2.153 1.00 0.00 O ATOM 468 CB SER A 31 38.525 7.250 0.882 1.00 0.00 C ATOM 469 OG SER A 31 37.407 6.841 0.107 1.00 0.00 O ATOM 0 H SER A 31 40.674 7.975 1.824 1.00 0.00 H new ATOM 0 HA SER A 31 40.000 6.713 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.794 6.457 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 31 38.255 8.121 1.479 1.00 0.00 H new ATOM 0 HG SER A 31 36.656 6.632 0.701 1.00 0.00 H new ATOM 475 N LYS A 32 39.418 9.955 -0.502 1.00 0.00 N ATOM 476 CA LYS A 32 39.047 11.081 -1.346 1.00 0.00 C ATOM 477 C LYS A 32 40.256 11.691 -2.055 1.00 0.00 C ATOM 478 O LYS A 32 40.190 11.998 -3.242 1.00 0.00 O ATOM 479 CB LYS A 32 38.310 12.147 -0.532 1.00 0.00 C ATOM 480 CG LYS A 32 37.740 13.277 -1.380 1.00 0.00 C ATOM 481 CD LYS A 32 36.890 14.236 -0.555 1.00 0.00 C ATOM 482 CE LYS A 32 35.673 13.540 0.051 1.00 0.00 C ATOM 483 NZ LYS A 32 34.815 12.904 -0.983 1.00 0.00 N ATOM 0 H LYS A 32 39.687 10.202 0.450 1.00 0.00 H new ATOM 0 HA LYS A 32 38.377 10.699 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 32 37.498 11.674 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 32 38.994 12.567 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 32 38.557 13.827 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 32 37.136 12.858 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 32 37.497 14.666 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 32 36.560 15.062 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 32 36.006 12.782 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 32 35.084 14.265 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 33.915 12.609 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 34.627 13.586 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 35.301 12.072 -1.374 1.00 0.00 H new ATOM 497 N ARG A 33 41.357 11.852 -1.327 1.00 0.00 N ATOM 498 CA ARG A 33 42.567 12.466 -1.880 1.00 0.00 C ATOM 499 C ARG A 33 43.102 11.663 -3.057 1.00 0.00 C ATOM 500 O ARG A 33 43.263 12.188 -4.159 1.00 0.00 O ATOM 501 CB ARG A 33 43.640 12.592 -0.800 1.00 0.00 C ATOM 502 CG ARG A 33 44.906 13.278 -1.266 1.00 0.00 C ATOM 503 CD ARG A 33 45.929 13.350 -0.154 1.00 0.00 C ATOM 504 NE ARG A 33 47.129 14.078 -0.559 1.00 0.00 N ATOM 505 CZ ARG A 33 47.918 14.741 0.286 1.00 0.00 C ATOM 506 NH1 ARG A 33 47.628 14.770 1.585 1.00 0.00 N ATOM 507 NH2 ARG A 33 48.994 15.374 -0.167 1.00 0.00 N ATOM 0 H ARG A 33 41.439 11.566 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 33 42.304 13.461 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 33 43.228 13.146 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 33 43.892 11.596 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 33 45.325 12.737 -2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 33 44.671 14.284 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 33 45.486 13.837 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 33 46.204 12.340 0.152 1.00 0.00 H new ATOM 0 HE ARG A 33 47.378 14.079 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 33 46.802 14.285 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 33 48.232 15.278 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 33 49.217 15.353 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 33 49.597 15.881 0.480 1.00 0.00 H new ATOM 521 N LEU A 34 43.370 10.392 -2.823 1.00 0.00 N ATOM 522 CA LEU A 34 43.875 9.526 -3.871 1.00 0.00 C ATOM 523 C LEU A 34 42.734 9.106 -4.786 1.00 0.00 C ATOM 524 O LEU A 34 42.936 8.849 -5.976 1.00 0.00 O ATOM 525 CB LEU A 34 44.556 8.296 -3.265 1.00 0.00 C ATOM 526 CG LEU A 34 45.704 8.579 -2.287 1.00 0.00 C ATOM 527 CD1 LEU A 34 46.254 7.280 -1.722 1.00 0.00 C ATOM 528 CD2 LEU A 34 46.810 9.377 -2.965 1.00 0.00 C ATOM 0 H LEU A 34 43.247 9.937 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 34 44.615 10.072 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 43.801 7.705 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 44.941 7.680 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 34 45.310 9.176 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 34 47.067 7.500 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 34 45.462 6.749 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 34 46.628 6.659 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 34 47.612 9.565 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 47.201 8.811 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 34 46.409 10.327 -3.319 1.00 0.00 H new ATOM 540 N LYS A 35 41.529 9.051 -4.207 1.00 0.00 N ATOM 541 CA LYS A 35 40.303 8.692 -4.923 1.00 0.00 C ATOM 542 C LYS A 35 40.432 7.314 -5.575 1.00 0.00 C ATOM 543 O LYS A 35 39.880 7.053 -6.651 1.00 0.00 O ATOM 544 CB LYS A 35 39.939 9.772 -5.961 1.00 0.00 C ATOM 545 CG LYS A 35 38.499 9.684 -6.467 1.00 0.00 C ATOM 546 CD LYS A 35 38.145 10.845 -7.385 1.00 0.00 C ATOM 547 CE LYS A 35 38.992 10.845 -8.646 1.00 0.00 C ATOM 548 NZ LYS A 35 38.683 12.001 -9.516 1.00 0.00 N ATOM 0 H LYS A 35 41.378 9.257 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 35 39.490 8.639 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 35 40.099 10.755 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 40.618 9.690 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 38.359 8.744 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 35 37.816 9.673 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 35 37.091 10.786 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 35 38.286 11.786 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 35 40.047 10.866 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 38.823 9.920 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 39.281 11.966 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 37.682 11.967 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 38.868 12.884 -8.999 1.00 0.00 H new ATOM 562 N VAL A 36 41.156 6.433 -4.913 1.00 0.00 N ATOM 563 CA VAL A 36 41.329 5.077 -5.392 1.00 0.00 C ATOM 564 C VAL A 36 40.027 4.309 -5.207 1.00 0.00 C ATOM 565 O VAL A 36 39.426 4.366 -4.132 1.00 0.00 O ATOM 566 CB VAL A 36 42.472 4.350 -4.629 1.00 0.00 C ATOM 567 CG1 VAL A 36 42.659 2.927 -5.142 1.00 0.00 C ATOM 568 CG2 VAL A 36 43.770 5.129 -4.747 1.00 0.00 C ATOM 0 H VAL A 36 41.637 6.635 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 36 41.597 5.117 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 36 42.190 4.295 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.465 2.444 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 36 41.735 2.365 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.911 2.953 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.559 4.605 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.047 5.218 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 36 43.637 6.124 -4.321 1.00 0.00 H new ATOM 578 N PRO A 37 39.549 3.613 -6.262 1.00 0.00 N ATOM 579 CA PRO A 37 38.314 2.830 -6.199 1.00 0.00 C ATOM 580 C PRO A 37 38.309 1.899 -4.994 1.00 0.00 C ATOM 581 O PRO A 37 39.272 1.158 -4.767 1.00 0.00 O ATOM 582 CB PRO A 37 38.319 2.019 -7.512 1.00 0.00 C ATOM 583 CG PRO A 37 39.677 2.221 -8.103 1.00 0.00 C ATOM 584 CD PRO A 37 40.168 3.537 -7.588 1.00 0.00 C ATOM 0 HA PRO A 37 37.431 3.460 -6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.127 0.963 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.540 2.367 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.351 1.414 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.631 2.222 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.256 3.569 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.859 4.364 -8.228 1.00 0.00 H new ATOM 592 N ARG A 38 37.224 1.932 -4.229 1.00 0.00 N ATOM 593 CA ARG A 38 37.119 1.144 -3.003 1.00 0.00 C ATOM 594 C ARG A 38 37.257 -0.354 -3.261 1.00 0.00 C ATOM 595 O ARG A 38 37.625 -1.103 -2.363 1.00 0.00 O ATOM 596 CB ARG A 38 35.826 1.462 -2.245 1.00 0.00 C ATOM 597 CG ARG A 38 34.554 1.257 -3.045 1.00 0.00 C ATOM 598 CD ARG A 38 33.345 1.788 -2.292 1.00 0.00 C ATOM 599 NE ARG A 38 33.487 3.211 -1.965 1.00 0.00 N ATOM 600 CZ ARG A 38 32.519 3.969 -1.439 1.00 0.00 C ATOM 601 NH1 ARG A 38 31.322 3.448 -1.172 1.00 0.00 N ATOM 602 NH2 ARG A 38 32.756 5.249 -1.172 1.00 0.00 N ATOM 0 H ARG A 38 36.401 2.498 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 38 37.959 1.433 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 38 35.782 0.838 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 38 35.864 2.498 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 34.639 1.763 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 38 34.419 0.196 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 38 32.449 1.642 -2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 38 33.209 1.216 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 38 34.387 3.653 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 38 31.139 2.464 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 38 30.589 4.033 -0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 38 33.673 5.650 -1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 38 32.021 5.831 -0.771 1.00 0.00 H new ATOM 616 N SER A 39 36.972 -0.784 -4.485 1.00 0.00 N ATOM 617 CA SER A 39 37.147 -2.181 -4.854 1.00 0.00 C ATOM 618 C SER A 39 38.640 -2.524 -4.911 1.00 0.00 C ATOM 619 O SER A 39 39.061 -3.599 -4.476 1.00 0.00 O ATOM 620 CB SER A 39 36.483 -2.463 -6.201 1.00 0.00 C ATOM 621 OG SER A 39 35.108 -2.100 -6.173 1.00 0.00 O ATOM 0 H SER A 39 36.621 -0.188 -5.234 1.00 0.00 H new ATOM 0 HA SER A 39 36.671 -2.807 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.994 -1.907 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 39 36.579 -3.521 -6.444 1.00 0.00 H new ATOM 0 HG SER A 39 34.702 -2.287 -7.045 1.00 0.00 H new ATOM 627 N SER A 40 39.436 -1.586 -5.424 1.00 0.00 N ATOM 628 CA SER A 40 40.877 -1.762 -5.503 1.00 0.00 C ATOM 629 C SER A 40 41.472 -1.692 -4.101 1.00 0.00 C ATOM 630 O SER A 40 42.417 -2.403 -3.775 1.00 0.00 O ATOM 631 CB SER A 40 41.499 -0.686 -6.412 1.00 0.00 C ATOM 632 OG SER A 40 42.903 -0.864 -6.553 1.00 0.00 O ATOM 0 H SER A 40 39.101 -0.695 -5.791 1.00 0.00 H new ATOM 0 HA SER A 40 41.099 -2.738 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 40 41.027 -0.722 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 40 41.297 0.302 -5.997 1.00 0.00 H new ATOM 0 HG SER A 40 43.264 -0.165 -7.137 1.00 0.00 H new ATOM 638 N VAL A 41 40.892 -0.838 -3.274 1.00 0.00 N ATOM 639 CA VAL A 41 41.316 -0.704 -1.894 1.00 0.00 C ATOM 640 C VAL A 41 40.981 -1.978 -1.118 1.00 0.00 C ATOM 641 O VAL A 41 41.793 -2.486 -0.354 1.00 0.00 O ATOM 642 CB VAL A 41 40.636 0.507 -1.211 1.00 0.00 C ATOM 643 CG1 VAL A 41 41.087 0.638 0.232 1.00 0.00 C ATOM 644 CG2 VAL A 41 40.927 1.788 -1.977 1.00 0.00 C ATOM 0 H VAL A 41 40.121 -0.224 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 41 42.394 -0.542 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 41 39.559 0.337 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 40.595 1.496 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 41 40.823 -0.267 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.167 0.779 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 41 40.440 2.627 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 42.003 1.958 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.547 1.698 -2.994 1.00 0.00 H new ATOM 654 N GLN A 42 39.786 -2.497 -1.351 1.00 0.00 N ATOM 655 CA GLN A 42 39.313 -3.703 -0.683 1.00 0.00 C ATOM 656 C GLN A 42 40.214 -4.904 -0.975 1.00 0.00 C ATOM 657 O GLN A 42 40.531 -5.680 -0.079 1.00 0.00 O ATOM 658 CB GLN A 42 37.878 -4.013 -1.115 1.00 0.00 C ATOM 659 CG GLN A 42 37.322 -5.302 -0.540 1.00 0.00 C ATOM 660 CD GLN A 42 35.938 -5.614 -1.057 1.00 0.00 C ATOM 661 OE1 GLN A 42 35.779 -6.278 -2.081 1.00 0.00 O ATOM 662 NE2 GLN A 42 34.931 -5.141 -0.358 1.00 0.00 N ATOM 0 H GLN A 42 39.116 -2.096 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 42 39.341 -3.518 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 42 37.233 -3.187 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 42 37.841 -4.068 -2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 42 37.993 -6.125 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 42 37.293 -5.229 0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 42 35.107 -4.595 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 42 33.973 -5.320 -0.659 1.00 0.00 H new ATOM 671 N THR A 43 40.631 -5.052 -2.215 1.00 0.00 N ATOM 672 CA THR A 43 41.450 -6.188 -2.578 1.00 0.00 C ATOM 673 C THR A 43 42.867 -6.084 -1.995 1.00 0.00 C ATOM 674 O THR A 43 43.473 -7.101 -1.659 1.00 0.00 O ATOM 675 CB THR A 43 41.504 -6.418 -4.113 1.00 0.00 C ATOM 676 OG1 THR A 43 42.215 -7.631 -4.404 1.00 0.00 O ATOM 677 CG2 THR A 43 42.178 -5.259 -4.827 1.00 0.00 C ATOM 0 H THR A 43 40.420 -4.410 -2.979 1.00 0.00 H new ATOM 0 HA THR A 43 40.966 -7.059 -2.136 1.00 0.00 H new ATOM 0 HB THR A 43 40.477 -6.493 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 43 42.243 -7.769 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 43 42.198 -5.454 -5.899 1.00 0.00 H new ATOM 0 HG22 THR A 43 41.622 -4.341 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 43 43.198 -5.149 -4.459 1.00 0.00 H new ATOM 685 N ILE A 44 43.388 -4.863 -1.849 1.00 0.00 N ATOM 686 CA ILE A 44 44.728 -4.701 -1.303 1.00 0.00 C ATOM 687 C ILE A 44 44.723 -4.822 0.220 1.00 0.00 C ATOM 688 O ILE A 44 45.672 -5.342 0.811 1.00 0.00 O ATOM 689 CB ILE A 44 45.429 -3.379 -1.771 1.00 0.00 C ATOM 690 CG1 ILE A 44 44.688 -2.120 -1.300 1.00 0.00 C ATOM 691 CG2 ILE A 44 45.572 -3.368 -3.282 1.00 0.00 C ATOM 692 CD1 ILE A 44 45.199 -1.554 0.012 1.00 0.00 C ATOM 0 H ILE A 44 42.913 -3.995 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 44 45.325 -5.518 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 44 46.417 -3.360 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 44 44.770 -1.353 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.628 -2.353 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 44 46.060 -2.445 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.173 -4.221 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.585 -3.430 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 44 44.623 -0.666 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 44 45.091 -2.302 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 44 46.251 -1.287 -0.092 1.00 0.00 H new ATOM 704 N VAL A 45 43.639 -4.375 0.856 1.00 0.00 N ATOM 705 CA VAL A 45 43.525 -4.493 2.304 1.00 0.00 C ATOM 706 C VAL A 45 43.241 -5.932 2.698 1.00 0.00 C ATOM 707 O VAL A 45 43.648 -6.377 3.757 1.00 0.00 O ATOM 708 CB VAL A 45 42.447 -3.553 2.914 1.00 0.00 C ATOM 709 CG1 VAL A 45 42.801 -2.101 2.675 1.00 0.00 C ATOM 710 CG2 VAL A 45 41.065 -3.866 2.373 1.00 0.00 C ATOM 0 H VAL A 45 42.841 -3.935 0.397 1.00 0.00 H new ATOM 0 HA VAL A 45 44.485 -4.179 2.713 1.00 0.00 H new ATOM 0 HB VAL A 45 42.428 -3.729 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 45 42.032 -1.463 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 45 43.762 -1.880 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 42.864 -1.913 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 45 40.337 -3.190 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 45 41.061 -3.738 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 45 40.803 -4.895 2.618 1.00 0.00 H new ATOM 720 N ARG A 46 42.552 -6.660 1.823 1.00 0.00 N ATOM 721 CA ARG A 46 42.250 -8.065 2.065 1.00 0.00 C ATOM 722 C ARG A 46 43.546 -8.863 2.172 1.00 0.00 C ATOM 723 O ARG A 46 43.714 -9.687 3.077 1.00 0.00 O ATOM 724 CB ARG A 46 41.383 -8.621 0.937 1.00 0.00 C ATOM 725 CG ARG A 46 40.947 -10.063 1.139 1.00 0.00 C ATOM 726 CD ARG A 46 40.186 -10.581 -0.068 1.00 0.00 C ATOM 727 NE ARG A 46 38.966 -9.811 -0.329 1.00 0.00 N ATOM 728 CZ ARG A 46 38.559 -9.429 -1.545 1.00 0.00 C ATOM 729 NH1 ARG A 46 39.311 -9.681 -2.614 1.00 0.00 N ATOM 730 NH2 ARG A 46 37.406 -8.785 -1.690 1.00 0.00 N ATOM 0 H ARG A 46 42.193 -6.298 0.940 1.00 0.00 H new ATOM 0 HA ARG A 46 41.701 -8.152 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 46 40.496 -7.996 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 46 41.935 -8.548 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 46 41.822 -10.689 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 46 40.318 -10.135 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 46 40.832 -10.543 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 46 39.926 -11.627 0.091 1.00 0.00 H new ATOM 0 HE ARG A 46 38.389 -9.549 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 46 40.201 -10.167 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 46 38.997 -9.388 -3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 46 36.830 -8.581 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 46 37.097 -8.494 -2.618 1.00 0.00 H new ATOM 744 N LYS A 47 44.465 -8.597 1.252 1.00 0.00 N ATOM 745 CA LYS A 47 45.758 -9.261 1.247 1.00 0.00 C ATOM 746 C LYS A 47 46.554 -8.871 2.484 1.00 0.00 C ATOM 747 O LYS A 47 47.236 -9.703 3.090 1.00 0.00 O ATOM 748 CB LYS A 47 46.544 -8.903 -0.018 1.00 0.00 C ATOM 749 CG LYS A 47 45.828 -9.263 -1.309 1.00 0.00 C ATOM 750 CD LYS A 47 46.693 -8.979 -2.526 1.00 0.00 C ATOM 751 CE LYS A 47 45.974 -9.355 -3.812 1.00 0.00 C ATOM 752 NZ LYS A 47 46.844 -9.190 -5.002 1.00 0.00 N ATOM 0 H LYS A 47 44.336 -7.923 0.498 1.00 0.00 H new ATOM 0 HA LYS A 47 45.591 -10.338 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 47 46.751 -7.833 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 47.507 -9.414 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 45.557 -10.319 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 44.900 -8.696 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 46.956 -7.922 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.626 -9.538 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 47 45.637 -10.390 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 45.084 -8.736 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 46.316 -9.457 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.146 -8.198 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 47.681 -9.800 -4.907 1.00 0.00 H new ATOM 766 N TYR A 48 46.447 -7.607 2.868 1.00 0.00 N ATOM 767 CA TYR A 48 47.124 -7.105 4.021 1.00 0.00 C ATOM 768 C TYR A 48 46.576 -7.742 5.291 1.00 0.00 C ATOM 769 O TYR A 48 47.338 -8.144 6.161 1.00 0.00 O ATOM 770 CB TYR A 48 46.998 -5.591 4.074 1.00 0.00 C ATOM 771 CG TYR A 48 47.369 -5.014 5.399 1.00 0.00 C ATOM 772 CD1 TYR A 48 48.676 -5.053 5.852 1.00 0.00 C ATOM 773 CD2 TYR A 48 46.408 -4.437 6.203 1.00 0.00 C ATOM 774 CE1 TYR A 48 49.015 -4.531 7.073 1.00 0.00 C ATOM 775 CE2 TYR A 48 46.729 -3.911 7.422 1.00 0.00 C ATOM 776 CZ TYR A 48 48.042 -3.956 7.863 1.00 0.00 C ATOM 777 OH TYR A 48 48.386 -3.423 9.089 1.00 0.00 O ATOM 0 H TYR A 48 45.884 -6.912 2.378 1.00 0.00 H new ATOM 0 HA TYR A 48 48.180 -7.366 3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 48 47.633 -5.153 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 48 45.972 -5.310 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 48 49.440 -5.501 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 48 45.384 -4.401 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 48 50.039 -4.570 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 48 45.964 -3.463 8.039 1.00 0.00 H new ATOM 0 HH TYR A 48 49.303 -3.081 9.051 1.00 0.00 H new ATOM 787 N LYS A 49 45.255 -7.841 5.388 1.00 0.00 N ATOM 788 CA LYS A 49 44.622 -8.455 6.548 1.00 0.00 C ATOM 789 C LYS A 49 45.039 -9.907 6.681 1.00 0.00 C ATOM 790 O LYS A 49 45.191 -10.418 7.793 1.00 0.00 O ATOM 791 CB LYS A 49 43.101 -8.346 6.470 1.00 0.00 C ATOM 792 CG LYS A 49 42.578 -6.925 6.617 1.00 0.00 C ATOM 793 CD LYS A 49 41.058 -6.883 6.570 1.00 0.00 C ATOM 794 CE LYS A 49 40.445 -7.632 7.744 1.00 0.00 C ATOM 795 NZ LYS A 49 38.969 -7.645 7.675 1.00 0.00 N ATOM 0 H LYS A 49 44.603 -7.505 4.679 1.00 0.00 H new ATOM 0 HA LYS A 49 44.956 -7.914 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.766 -8.749 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 42.661 -8.967 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.926 -6.504 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.985 -6.302 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.721 -5.847 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 49 40.709 -7.321 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 49 40.818 -8.656 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.761 -7.167 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 38.588 -8.164 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 38.612 -6.668 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 38.667 -8.112 6.796 1.00 0.00 H new ATOM 809 N HIS A 50 45.235 -10.574 5.549 1.00 0.00 N ATOM 810 CA HIS A 50 45.705 -11.947 5.569 1.00 0.00 C ATOM 811 C HIS A 50 47.119 -11.986 6.141 1.00 0.00 C ATOM 812 O HIS A 50 47.449 -12.856 6.944 1.00 0.00 O ATOM 813 CB HIS A 50 45.666 -12.574 4.172 1.00 0.00 C ATOM 814 CG HIS A 50 45.956 -14.045 4.180 1.00 0.00 C ATOM 815 ND1 HIS A 50 46.931 -14.629 3.407 1.00 0.00 N ATOM 816 CD2 HIS A 50 45.389 -15.051 4.884 1.00 0.00 C ATOM 817 CE1 HIS A 50 46.953 -15.927 3.631 1.00 0.00 C ATOM 818 NE2 HIS A 50 46.026 -16.210 4.524 1.00 0.00 N ATOM 0 H HIS A 50 45.077 -10.189 4.618 1.00 0.00 H new ATOM 0 HA HIS A 50 45.041 -12.535 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.683 -12.406 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.392 -12.070 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 50 44.584 -14.958 5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 50 47.617 -16.638 3.163 1.00 0.00 H new ATOM 0 HE2 HIS A 50 45.817 -17.140 4.888 1.00 0.00 H new ATOM 826 N HIS A 51 47.942 -11.016 5.741 1.00 0.00 N ATOM 827 CA HIS A 51 49.294 -10.889 6.287 1.00 0.00 C ATOM 828 C HIS A 51 49.213 -10.515 7.762 1.00 0.00 C ATOM 829 O HIS A 51 50.075 -10.874 8.557 1.00 0.00 O ATOM 830 CB HIS A 51 50.113 -9.836 5.523 1.00 0.00 C ATOM 831 CG HIS A 51 50.490 -10.246 4.130 1.00 0.00 C ATOM 832 ND1 HIS A 51 50.268 -9.455 3.024 1.00 0.00 N ATOM 833 CD2 HIS A 51 51.096 -11.364 3.672 1.00 0.00 C ATOM 834 CE1 HIS A 51 50.717 -10.067 1.950 1.00 0.00 C ATOM 835 NE2 HIS A 51 51.225 -11.228 2.314 1.00 0.00 N ATOM 0 H HIS A 51 47.698 -10.311 5.045 1.00 0.00 H new ATOM 0 HA HIS A 51 49.799 -11.848 6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 51 49.540 -8.910 5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 51 51.022 -9.620 6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 51 51.418 -12.207 4.265 1.00 0.00 H new ATOM 0 HE1 HIS A 51 50.676 -9.684 0.941 1.00 0.00 H new ATOM 0 HE2 HIS A 51 51.646 -11.914 1.687 1.00 0.00 H new ATOM 843 N GLY A 52 48.150 -9.798 8.112 1.00 0.00 N ATOM 844 CA GLY A 52 47.908 -9.420 9.486 1.00 0.00 C ATOM 845 C GLY A 52 47.460 -10.602 10.322 1.00 0.00 C ATOM 846 O GLY A 52 47.367 -10.516 11.543 1.00 0.00 O ATOM 0 H GLY A 52 47.443 -9.469 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 52 48.817 -8.996 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 52 47.147 -8.641 9.520 1.00 0.00 H new ATOM 850 N THR A 53 47.180 -11.702 9.656 1.00 0.00 N ATOM 851 CA THR A 53 46.782 -12.915 10.321 1.00 0.00 C ATOM 852 C THR A 53 48.001 -13.824 10.510 1.00 0.00 C ATOM 853 O THR A 53 48.137 -14.508 11.526 1.00 0.00 O ATOM 854 CB THR A 53 45.702 -13.653 9.505 1.00 0.00 C ATOM 855 OG1 THR A 53 44.676 -12.723 9.108 1.00 0.00 O ATOM 856 CG2 THR A 53 45.075 -14.767 10.326 1.00 0.00 C ATOM 0 H THR A 53 47.223 -11.776 8.640 1.00 0.00 H new ATOM 0 HA THR A 53 46.365 -12.658 11.295 1.00 0.00 H new ATOM 0 HB THR A 53 46.173 -14.087 8.623 1.00 0.00 H new ATOM 0 HG1 THR A 53 45.061 -12.045 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 53 44.316 -15.274 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 53 45.845 -15.481 10.618 1.00 0.00 H new ATOM 0 HG23 THR A 53 44.614 -14.345 11.219 1.00 0.00 H new ATOM 864 N THR A 54 48.893 -13.805 9.529 1.00 0.00 N ATOM 865 CA THR A 54 50.096 -14.612 9.570 1.00 0.00 C ATOM 866 C THR A 54 51.212 -13.913 10.359 1.00 0.00 C ATOM 867 O THR A 54 51.571 -14.341 11.458 1.00 0.00 O ATOM 868 CB THR A 54 50.583 -14.931 8.141 1.00 0.00 C ATOM 869 OG1 THR A 54 50.584 -13.730 7.347 1.00 0.00 O ATOM 870 CG2 THR A 54 49.684 -15.968 7.486 1.00 0.00 C ATOM 0 H THR A 54 48.801 -13.233 8.690 1.00 0.00 H new ATOM 0 HA THR A 54 49.850 -15.544 10.079 1.00 0.00 H new ATOM 0 HB THR A 54 51.595 -15.332 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 54 50.895 -13.937 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 50.045 -16.179 6.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 49.697 -16.885 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 54 48.665 -15.585 7.433 1.00 0.00 H new ATOM 878 N GLN A 55 51.737 -12.829 9.800 1.00 0.00 N ATOM 879 CA GLN A 55 52.805 -12.061 10.443 1.00 0.00 C ATOM 880 C GLN A 55 52.227 -11.093 11.463 1.00 0.00 C ATOM 881 O GLN A 55 52.868 -10.769 12.459 1.00 0.00 O ATOM 882 CB GLN A 55 53.623 -11.305 9.396 1.00 0.00 C ATOM 883 CG GLN A 55 54.398 -12.212 8.455 1.00 0.00 C ATOM 884 CD GLN A 55 55.169 -11.447 7.400 1.00 0.00 C ATOM 885 OE1 GLN A 55 55.574 -10.303 7.611 1.00 0.00 O ATOM 886 NE2 GLN A 55 55.387 -12.077 6.263 1.00 0.00 N ATOM 0 H GLN A 55 51.441 -12.458 8.897 1.00 0.00 H new ATOM 0 HA GLN A 55 53.464 -12.757 10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 55 52.954 -10.675 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 55 54.322 -10.641 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 55 55.092 -12.821 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 55 53.705 -12.897 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 55 55.034 -13.025 6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 55 55.909 -11.617 5.517 1.00 0.00 H new ATOM 895 N HIS A 56 51.013 -10.640 11.189 1.00 0.00 N ATOM 896 CA HIS A 56 50.269 -9.741 12.069 1.00 0.00 C ATOM 897 C HIS A 56 50.873 -8.336 12.120 1.00 0.00 C ATOM 898 O HIS A 56 51.638 -8.016 13.024 1.00 0.00 O ATOM 899 CB HIS A 56 50.122 -10.330 13.489 1.00 0.00 C ATOM 900 CG HIS A 56 49.151 -9.585 14.365 1.00 0.00 C ATOM 901 ND1 HIS A 56 47.822 -9.934 14.476 1.00 0.00 N ATOM 902 CD2 HIS A 56 49.321 -8.509 15.170 1.00 0.00 C ATOM 903 CE1 HIS A 56 47.216 -9.112 15.304 1.00 0.00 C ATOM 904 NE2 HIS A 56 48.101 -8.236 15.743 1.00 0.00 N ATOM 0 H HIS A 56 50.507 -10.888 10.339 1.00 0.00 H new ATOM 0 HA HIS A 56 49.273 -9.645 11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 56 49.800 -11.368 13.409 1.00 0.00 H new ATOM 0 HB3 HIS A 56 51.099 -10.336 13.971 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.241 -7.967 15.331 1.00 0.00 H new ATOM 0 HE1 HIS A 56 46.172 -9.147 15.578 1.00 0.00 H new ATOM 0 HE2 HIS A 56 47.911 -7.480 16.400 1.00 0.00 H new ATOM 912 N HIS A 57 50.533 -7.522 11.117 1.00 0.00 N ATOM 913 CA HIS A 57 50.925 -6.106 11.063 1.00 0.00 C ATOM 914 C HIS A 57 52.447 -5.924 10.952 1.00 0.00 C ATOM 915 O HIS A 57 52.951 -5.825 9.813 1.00 0.00 O ATOM 916 CB HIS A 57 50.367 -5.362 12.290 1.00 0.00 C ATOM 917 CG HIS A 57 50.561 -3.881 12.259 1.00 0.00 C ATOM 918 ND1 HIS A 57 49.805 -3.043 11.472 1.00 0.00 N ATOM 919 CD2 HIS A 57 51.419 -3.086 12.935 1.00 0.00 C ATOM 920 CE1 HIS A 57 50.186 -1.800 11.664 1.00 0.00 C ATOM 921 NE2 HIS A 57 51.164 -1.797 12.548 1.00 0.00 N ATOM 0 H HIS A 57 49.977 -7.824 10.317 1.00 0.00 H new ATOM 0 HA HIS A 57 50.496 -5.676 10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 57 49.301 -5.574 12.374 1.00 0.00 H new ATOM 0 HB3 HIS A 57 50.842 -5.759 13.187 1.00 0.00 H new ATOM 0 HD1 HIS A 57 49.064 -3.340 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 57 52.166 -3.406 13.647 1.00 0.00 H new ATOM 0 HE1 HIS A 57 49.769 -0.929 11.180 1.00 0.00 H new TER 929 HIS A 57