USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 71 ASN : amide:sc= 0.978 K(o=3,f=0.82) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.875 K(o=3,f=0.74) USER MOD Set 1.3: A 75 LYS NZ :NH3+ 139:sc= 1.15 (180deg=0.463) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0892 USER MOD Single : A 6 SER OG : rot 138:sc= 1.31 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.142 F(o=-0.66,f=-0.14) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.0481 K(o=-0.048,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.044) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 62 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-8.2!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.12) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.300 -7.276 -5.246 1.00 0.00 N ATOM 12 CA LEU A 2 9.396 -6.614 -6.158 1.00 0.00 C ATOM 13 C LEU A 2 8.632 -7.565 -7.080 1.00 0.00 C ATOM 14 O LEU A 2 8.982 -7.759 -8.247 1.00 0.00 O ATOM 15 CB LEU A 2 10.256 -5.595 -6.899 1.00 0.00 C ATOM 16 CG LEU A 2 10.728 -4.405 -6.042 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.798 -3.648 -6.833 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.562 -3.502 -5.611 1.00 0.00 C ATOM 0 HA LEU A 2 8.583 -6.128 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.131 -6.104 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.690 -5.212 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 2 11.159 -4.769 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.150 -2.799 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.634 -4.315 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.373 -3.291 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.944 -2.677 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.063 -3.105 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.851 -4.082 -5.022 1.00 0.00 H new ATOM 30 N THR A 3 7.561 -8.139 -6.542 1.00 0.00 N ATOM 31 CA THR A 3 6.683 -9.056 -7.249 1.00 0.00 C ATOM 32 C THR A 3 5.268 -8.493 -7.159 1.00 0.00 C ATOM 33 O THR A 3 4.891 -7.891 -6.153 1.00 0.00 O ATOM 34 CB THR A 3 6.819 -10.473 -6.669 1.00 0.00 C ATOM 35 OG1 THR A 3 8.162 -10.906 -6.741 1.00 0.00 O ATOM 36 CG2 THR A 3 5.974 -11.516 -7.401 1.00 0.00 C ATOM 0 H THR A 3 7.275 -7.973 -5.577 1.00 0.00 H new ATOM 0 HA THR A 3 6.951 -9.145 -8.302 1.00 0.00 H new ATOM 0 HB THR A 3 6.468 -10.397 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.235 -11.809 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.119 -12.492 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.922 -11.239 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.278 -11.562 -8.447 1.00 0.00 H new ATOM 44 N THR A 4 4.511 -8.646 -8.232 1.00 0.00 N ATOM 45 CA THR A 4 3.135 -8.216 -8.387 1.00 0.00 C ATOM 46 C THR A 4 2.267 -9.405 -7.947 1.00 0.00 C ATOM 47 O THR A 4 2.546 -10.525 -8.380 1.00 0.00 O ATOM 48 CB THR A 4 2.944 -7.814 -9.870 1.00 0.00 C ATOM 49 OG1 THR A 4 3.845 -8.496 -10.734 1.00 0.00 O ATOM 50 CG2 THR A 4 3.187 -6.312 -10.046 1.00 0.00 C ATOM 0 H THR A 4 4.866 -9.104 -9.072 1.00 0.00 H new ATOM 0 HA THR A 4 2.857 -7.351 -7.785 1.00 0.00 H new ATOM 0 HB THR A 4 1.921 -8.084 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.688 -8.213 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.050 -6.041 -11.093 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.480 -5.755 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.204 -6.070 -9.739 1.00 0.00 H new ATOM 58 N ILE A 5 1.261 -9.214 -7.086 1.00 0.00 N ATOM 59 CA ILE A 5 0.404 -10.306 -6.593 1.00 0.00 C ATOM 60 C ILE A 5 -1.087 -10.090 -6.863 1.00 0.00 C ATOM 61 O ILE A 5 -1.503 -9.024 -7.322 1.00 0.00 O ATOM 62 CB ILE A 5 0.698 -10.618 -5.105 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.084 -9.615 -4.099 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.204 -10.835 -4.858 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.491 -8.145 -4.280 1.00 0.00 C ATOM 0 H ILE A 5 1.015 -8.299 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 5 0.667 -11.189 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 5 0.181 -11.557 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.002 -9.682 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.360 -9.926 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.372 -11.052 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.555 -11.673 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.752 -9.934 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.001 -7.536 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.572 -8.052 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.189 -7.803 -5.270 1.00 0.00 H new ATOM 77 N SER A 6 -1.895 -11.114 -6.580 1.00 0.00 N ATOM 78 CA SER A 6 -3.343 -11.103 -6.760 1.00 0.00 C ATOM 79 C SER A 6 -3.965 -9.999 -5.884 1.00 0.00 C ATOM 80 O SER A 6 -3.418 -9.695 -4.822 1.00 0.00 O ATOM 81 CB SER A 6 -3.919 -12.482 -6.378 1.00 0.00 C ATOM 82 OG SER A 6 -2.960 -13.529 -6.460 1.00 0.00 O ATOM 0 H SER A 6 -1.547 -11.998 -6.209 1.00 0.00 H new ATOM 0 HA SER A 6 -3.582 -10.898 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.312 -12.436 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.758 -12.713 -7.035 1.00 0.00 H new ATOM 0 HG SER A 6 -3.056 -14.122 -5.685 1.00 0.00 H new ATOM 88 N PRO A 7 -5.146 -9.458 -6.230 1.00 0.00 N ATOM 89 CA PRO A 7 -5.781 -8.401 -5.443 1.00 0.00 C ATOM 90 C PRO A 7 -6.148 -8.829 -4.022 1.00 0.00 C ATOM 91 O PRO A 7 -6.337 -7.975 -3.160 1.00 0.00 O ATOM 92 CB PRO A 7 -7.030 -7.977 -6.222 1.00 0.00 C ATOM 93 CG PRO A 7 -7.299 -9.148 -7.164 1.00 0.00 C ATOM 94 CD PRO A 7 -5.910 -9.727 -7.432 1.00 0.00 C ATOM 0 HA PRO A 7 -5.077 -7.579 -5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.874 -7.800 -5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.860 -7.053 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.959 -9.886 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.779 -8.818 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.962 -10.797 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.450 -9.260 -8.303 1.00 0.00 H new ATOM 102 N HIS A 8 -6.236 -10.137 -3.782 1.00 0.00 N ATOM 103 CA HIS A 8 -6.588 -10.723 -2.505 1.00 0.00 C ATOM 104 C HIS A 8 -5.375 -11.307 -1.772 1.00 0.00 C ATOM 105 O HIS A 8 -5.383 -11.387 -0.547 1.00 0.00 O ATOM 106 CB HIS A 8 -7.638 -11.795 -2.811 1.00 0.00 C ATOM 107 CG HIS A 8 -8.584 -12.081 -1.688 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.287 -11.154 -0.972 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -9.067 -13.324 -1.370 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -10.222 -11.851 -0.203 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -10.044 -13.160 -0.469 1.00 0.00 N flip ATOM 0 H HIS A 8 -6.056 -10.836 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.979 -9.964 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.214 -11.482 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.126 -12.719 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.722 -14.265 -1.773 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.947 -11.424 0.474 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.578 -13.918 -0.044 1.00 0.00 H new ATOM 119 N ASP A 9 -4.317 -11.678 -2.502 1.00 0.00 N ATOM 120 CA ASP A 9 -3.101 -12.254 -1.921 1.00 0.00 C ATOM 121 C ASP A 9 -2.422 -11.254 -0.997 1.00 0.00 C ATOM 122 O ASP A 9 -1.850 -11.643 0.017 1.00 0.00 O ATOM 123 CB ASP A 9 -2.110 -12.682 -3.013 1.00 0.00 C ATOM 124 CG ASP A 9 -2.201 -14.176 -3.294 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.369 -14.941 -2.766 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.119 -14.590 -4.041 1.00 0.00 O ATOM 0 H ASP A 9 -4.281 -11.586 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.400 -13.134 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.313 -12.126 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.095 -12.430 -2.704 1.00 0.00 H new ATOM 131 N ALA A 10 -2.491 -9.963 -1.334 1.00 0.00 N ATOM 132 CA ALA A 10 -1.889 -8.924 -0.518 1.00 0.00 C ATOM 133 C ALA A 10 -2.437 -8.999 0.906 1.00 0.00 C ATOM 134 O ALA A 10 -1.656 -9.007 1.859 1.00 0.00 O ATOM 135 CB ALA A 10 -2.176 -7.553 -1.125 1.00 0.00 C ATOM 0 H ALA A 10 -2.961 -9.619 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.810 -9.074 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.721 -6.779 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.759 -7.506 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.253 -7.394 -1.171 1.00 0.00 H new ATOM 141 N GLN A 11 -3.770 -9.043 1.032 1.00 0.00 N ATOM 142 CA GLN A 11 -4.486 -9.114 2.285 1.00 0.00 C ATOM 143 C GLN A 11 -3.968 -10.263 3.121 1.00 0.00 C ATOM 144 O GLN A 11 -3.598 -10.062 4.266 1.00 0.00 O ATOM 145 CB GLN A 11 -5.968 -9.299 1.984 1.00 0.00 C ATOM 146 CG GLN A 11 -6.805 -9.098 3.246 1.00 0.00 C ATOM 147 CD GLN A 11 -7.444 -10.382 3.778 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.876 -11.474 3.742 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.665 -10.315 4.275 1.00 0.00 N ATOM 0 H GLN A 11 -4.392 -9.029 0.223 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.337 -8.194 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.280 -8.589 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.141 -10.298 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.174 -8.669 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.591 -8.372 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.152 -9.419 4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.122 -11.159 4.621 1.00 0.00 H new ATOM 158 N GLU A 12 -3.918 -11.451 2.532 1.00 0.00 N ATOM 159 CA GLU A 12 -3.448 -12.669 3.170 1.00 0.00 C ATOM 160 C GLU A 12 -2.052 -12.493 3.755 1.00 0.00 C ATOM 161 O GLU A 12 -1.785 -12.994 4.843 1.00 0.00 O ATOM 162 CB GLU A 12 -3.468 -13.767 2.107 1.00 0.00 C ATOM 163 CG GLU A 12 -3.271 -15.160 2.689 1.00 0.00 C ATOM 164 CD GLU A 12 -3.357 -16.198 1.577 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.345 -16.455 0.893 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.456 -16.764 1.376 1.00 0.00 O ATOM 0 H GLU A 12 -4.213 -11.595 1.566 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.095 -12.931 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.418 -13.733 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.685 -13.571 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.302 -15.224 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.030 -15.359 3.445 1.00 0.00 H new ATOM 173 N LEU A 13 -1.152 -11.795 3.067 1.00 0.00 N ATOM 174 CA LEU A 13 0.195 -11.613 3.585 1.00 0.00 C ATOM 175 C LEU A 13 0.146 -10.665 4.775 1.00 0.00 C ATOM 176 O LEU A 13 0.731 -10.963 5.817 1.00 0.00 O ATOM 177 CB LEU A 13 1.144 -11.133 2.482 1.00 0.00 C ATOM 178 CG LEU A 13 1.326 -12.157 1.342 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.155 -11.519 0.233 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.004 -13.453 1.786 1.00 0.00 C ATOM 0 H LEU A 13 -1.329 -11.354 2.165 1.00 0.00 H new ATOM 0 HA LEU A 13 0.594 -12.567 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.763 -10.201 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.117 -10.912 2.921 1.00 0.00 H new ATOM 0 HG LEU A 13 0.328 -12.426 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.290 -12.235 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.640 -10.636 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.129 -11.230 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.098 -14.125 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.994 -13.228 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.403 -13.931 2.560 1.00 0.00 H new ATOM 192 N ILE A 14 -0.559 -9.537 4.648 1.00 0.00 N ATOM 193 CA ILE A 14 -0.688 -8.550 5.721 1.00 0.00 C ATOM 194 C ILE A 14 -1.334 -9.211 6.938 1.00 0.00 C ATOM 195 O ILE A 14 -0.876 -9.039 8.065 1.00 0.00 O ATOM 196 CB ILE A 14 -1.477 -7.311 5.245 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.817 -6.627 4.029 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.557 -6.265 6.363 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.875 -6.068 3.075 1.00 0.00 C ATOM 0 H ILE A 14 -1.057 -9.283 3.795 1.00 0.00 H new ATOM 0 HA ILE A 14 0.301 -8.194 6.008 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.467 -7.672 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.166 -5.821 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.188 -7.344 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.116 -5.398 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.061 -6.695 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.550 -5.957 6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.384 -5.591 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.509 -6.880 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.487 -5.334 3.600 1.00 0.00 H new ATOM 211 N ALA A 15 -2.357 -10.027 6.693 1.00 0.00 N ATOM 212 CA ALA A 15 -3.120 -10.753 7.681 1.00 0.00 C ATOM 213 C ALA A 15 -2.232 -11.678 8.506 1.00 0.00 C ATOM 214 O ALA A 15 -2.452 -11.843 9.706 1.00 0.00 O ATOM 215 CB ALA A 15 -4.212 -11.554 6.971 1.00 0.00 C ATOM 0 H ALA A 15 -2.686 -10.203 5.744 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.571 -10.040 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.795 -12.107 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.867 -10.873 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.754 -12.254 6.272 1.00 0.00 H new ATOM 221 N ARG A 16 -1.244 -12.308 7.868 1.00 0.00 N ATOM 222 CA ARG A 16 -0.310 -13.208 8.537 1.00 0.00 C ATOM 223 C ARG A 16 0.788 -12.418 9.244 1.00 0.00 C ATOM 224 O ARG A 16 1.405 -12.958 10.164 1.00 0.00 O ATOM 225 CB ARG A 16 0.328 -14.134 7.506 1.00 0.00 C ATOM 226 CG ARG A 16 -0.658 -15.096 6.821 1.00 0.00 C ATOM 227 CD ARG A 16 0.063 -15.578 5.566 1.00 0.00 C ATOM 228 NE ARG A 16 -0.653 -16.605 4.805 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.189 -17.078 3.643 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.882 -16.523 3.080 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.763 -18.122 3.065 1.00 0.00 N ATOM 0 H ARG A 16 -1.071 -12.206 6.868 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.859 -13.790 9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.815 -13.527 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.108 -14.719 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.913 -15.931 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.591 -14.591 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.243 -14.722 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.038 -15.971 5.852 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.532 -16.970 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.348 -15.738 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.237 -16.883 2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.565 -18.572 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.403 -18.476 2.179 1.00 0.00 H new ATOM 245 N GLY A 17 1.091 -11.189 8.816 1.00 0.00 N ATOM 246 CA GLY A 17 2.112 -10.371 9.448 1.00 0.00 C ATOM 247 C GLY A 17 2.748 -9.306 8.564 1.00 0.00 C ATOM 248 O GLY A 17 3.460 -8.467 9.120 1.00 0.00 O ATOM 0 H GLY A 17 0.633 -10.740 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.672 -9.881 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.900 -11.028 9.818 1.00 0.00 H new ATOM 252 N ALA A 18 2.544 -9.302 7.242 1.00 0.00 N ATOM 253 CA ALA A 18 3.125 -8.301 6.344 1.00 0.00 C ATOM 254 C ALA A 18 2.509 -6.912 6.603 1.00 0.00 C ATOM 255 O ALA A 18 1.778 -6.721 7.578 1.00 0.00 O ATOM 256 CB ALA A 18 2.980 -8.754 4.881 1.00 0.00 C ATOM 0 H ALA A 18 1.969 -9.996 6.764 1.00 0.00 H new ATOM 0 HA ALA A 18 4.192 -8.209 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.415 -8.002 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.498 -9.703 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.924 -8.878 4.642 1.00 0.00 H new ATOM 262 N LYS A 19 2.796 -5.917 5.758 1.00 0.00 N ATOM 263 CA LYS A 19 2.258 -4.562 5.912 1.00 0.00 C ATOM 264 C LYS A 19 1.848 -3.945 4.587 1.00 0.00 C ATOM 265 O LYS A 19 2.266 -4.417 3.532 1.00 0.00 O ATOM 266 CB LYS A 19 3.273 -3.676 6.645 1.00 0.00 C ATOM 267 CG LYS A 19 2.679 -3.019 7.894 1.00 0.00 C ATOM 268 CD LYS A 19 2.062 -3.947 8.927 1.00 0.00 C ATOM 269 CE LYS A 19 1.999 -3.190 10.259 1.00 0.00 C ATOM 270 NZ LYS A 19 2.917 -3.759 11.266 1.00 0.00 N ATOM 0 H LYS A 19 3.407 -6.028 4.949 1.00 0.00 H new ATOM 0 HA LYS A 19 1.350 -4.634 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.137 -4.277 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.632 -2.902 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.465 -2.442 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.915 -2.310 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.064 -4.256 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.658 -4.854 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.249 -2.142 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.979 -3.217 10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.842 -3.217 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.663 -4.751 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.894 -3.710 10.912 1.00 0.00 H new ATOM 284 N LEU A 20 1.108 -2.838 4.661 1.00 0.00 N ATOM 285 CA LEU A 20 0.589 -2.126 3.501 1.00 0.00 C ATOM 286 C LEU A 20 0.904 -0.637 3.537 1.00 0.00 C ATOM 287 O LEU A 20 0.515 0.048 4.488 1.00 0.00 O ATOM 288 CB LEU A 20 -0.935 -2.312 3.518 1.00 0.00 C ATOM 289 CG LEU A 20 -1.686 -2.000 2.221 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.031 -2.586 0.974 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.133 -2.504 2.311 1.00 0.00 C ATOM 0 H LEU A 20 0.850 -2.406 5.548 1.00 0.00 H new ATOM 0 HA LEU A 20 1.055 -2.525 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.147 -3.345 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.345 -1.682 4.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.659 -0.915 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.620 -2.323 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.023 -2.184 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.981 -3.671 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.656 -2.276 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.133 -3.582 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.638 -2.012 3.142 1.00 0.00 H new ATOM 303 N ILE A 21 1.594 -0.120 2.519 1.00 0.00 N ATOM 304 CA ILE A 21 1.932 1.298 2.426 1.00 0.00 C ATOM 305 C ILE A 21 1.252 1.860 1.178 1.00 0.00 C ATOM 306 O ILE A 21 1.389 1.362 0.055 1.00 0.00 O ATOM 307 CB ILE A 21 3.459 1.561 2.447 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.104 1.564 3.851 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.795 2.931 1.831 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.832 0.331 4.708 1.00 0.00 C ATOM 0 H ILE A 21 1.934 -0.676 1.734 1.00 0.00 H new ATOM 0 HA ILE A 21 1.562 1.816 3.311 1.00 0.00 H new ATOM 0 HB ILE A 21 3.863 0.726 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.182 1.672 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.752 2.443 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.873 3.088 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.451 2.959 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.299 3.717 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.332 0.440 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.759 0.227 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.211 -0.556 4.200 1.00 0.00 H new ATOM 322 N ASP A 22 0.508 2.933 1.390 1.00 0.00 N ATOM 323 CA ASP A 22 -0.228 3.700 0.408 1.00 0.00 C ATOM 324 C ASP A 22 0.651 4.844 -0.058 1.00 0.00 C ATOM 325 O ASP A 22 0.792 5.859 0.625 1.00 0.00 O ATOM 326 CB ASP A 22 -1.551 4.275 0.942 1.00 0.00 C ATOM 327 CG ASP A 22 -1.586 4.704 2.378 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.036 5.844 2.602 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.273 3.862 3.250 1.00 0.00 O ATOM 0 H ASP A 22 0.397 3.317 2.328 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.487 3.022 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.818 5.135 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.328 3.525 0.795 1.00 0.00 H new ATOM 334 N ILE A 23 1.243 4.691 -1.243 1.00 0.00 N ATOM 335 CA ILE A 23 2.084 5.725 -1.848 1.00 0.00 C ATOM 336 C ILE A 23 1.165 6.712 -2.597 1.00 0.00 C ATOM 337 O ILE A 23 1.509 7.198 -3.676 1.00 0.00 O ATOM 338 CB ILE A 23 3.212 5.111 -2.711 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.687 4.269 -3.894 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.136 4.277 -1.810 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.789 3.713 -4.795 1.00 0.00 C ATOM 0 H ILE A 23 1.153 3.848 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 23 2.620 6.288 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 23 3.768 5.933 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.097 3.440 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.015 4.883 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.934 3.841 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.569 4.917 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.561 3.481 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.341 3.133 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.365 4.537 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.448 3.071 -4.210 1.00 0.00 H new ATOM 353 N ARG A 24 -0.055 6.916 -2.081 1.00 0.00 N ATOM 354 CA ARG A 24 -1.088 7.793 -2.616 1.00 0.00 C ATOM 355 C ARG A 24 -0.709 9.222 -2.228 1.00 0.00 C ATOM 356 O ARG A 24 0.401 9.662 -2.531 1.00 0.00 O ATOM 357 CB ARG A 24 -2.480 7.344 -2.108 1.00 0.00 C ATOM 358 CG ARG A 24 -2.820 5.889 -2.475 1.00 0.00 C ATOM 359 CD ARG A 24 -4.313 5.553 -2.338 1.00 0.00 C ATOM 360 NE ARG A 24 -4.833 5.710 -0.965 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.123 5.878 -0.641 1.00 0.00 C ATOM 362 NH1 ARG A 24 -7.067 5.881 -1.576 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.465 6.094 0.614 1.00 0.00 N ATOM 0 H ARG A 24 -0.358 6.443 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.154 7.744 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.518 7.457 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.241 8.004 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.506 5.699 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.245 5.218 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.884 6.195 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.477 4.526 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.157 5.689 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.814 5.754 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.044 6.010 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.748 6.133 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.447 6.222 0.860 1.00 0.00 H new ATOM 377 N ASP A 25 -1.616 9.975 -1.613 1.00 0.00 N ATOM 378 CA ASP A 25 -1.394 11.341 -1.163 1.00 0.00 C ATOM 379 C ASP A 25 -2.093 11.471 0.179 1.00 0.00 C ATOM 380 O ASP A 25 -3.072 10.763 0.426 1.00 0.00 O ATOM 381 CB ASP A 25 -1.924 12.390 -2.152 1.00 0.00 C ATOM 382 CG ASP A 25 -0.966 12.618 -3.321 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.200 13.027 -3.093 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.385 12.373 -4.478 1.00 0.00 O ATOM 0 H ASP A 25 -2.557 9.638 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.324 11.531 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.892 12.069 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.085 13.332 -1.628 1.00 0.00 H new ATOM 389 N ALA A 26 -1.628 12.398 1.019 1.00 0.00 N ATOM 390 CA ALA A 26 -2.186 12.631 2.348 1.00 0.00 C ATOM 391 C ALA A 26 -3.701 12.865 2.318 1.00 0.00 C ATOM 392 O ALA A 26 -4.422 12.343 3.167 1.00 0.00 O ATOM 393 CB ALA A 26 -1.466 13.813 3.005 1.00 0.00 C ATOM 0 H ALA A 26 -0.846 13.012 0.792 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.026 11.729 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.883 13.987 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.403 13.589 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.600 14.706 2.394 1.00 0.00 H new ATOM 399 N ASP A 27 -4.200 13.601 1.318 1.00 0.00 N ATOM 400 CA ASP A 27 -5.627 13.905 1.187 1.00 0.00 C ATOM 401 C ASP A 27 -6.475 12.644 1.065 1.00 0.00 C ATOM 402 O ASP A 27 -7.658 12.666 1.397 1.00 0.00 O ATOM 403 CB ASP A 27 -5.925 14.744 -0.059 1.00 0.00 C ATOM 404 CG ASP A 27 -5.152 16.045 -0.138 1.00 0.00 C ATOM 405 OD1 ASP A 27 -5.511 17.016 0.571 1.00 0.00 O ATOM 406 OD2 ASP A 27 -4.186 16.086 -0.931 1.00 0.00 O ATOM 0 H ASP A 27 -3.625 14.002 0.577 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.879 14.454 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.702 14.149 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.992 14.967 -0.085 1.00 0.00 H new ATOM 411 N GLU A 28 -5.925 11.552 0.531 1.00 0.00 N ATOM 412 CA GLU A 28 -6.673 10.317 0.391 1.00 0.00 C ATOM 413 C GLU A 28 -6.895 9.697 1.769 1.00 0.00 C ATOM 414 O GLU A 28 -7.997 9.237 2.059 1.00 0.00 O ATOM 415 CB GLU A 28 -5.943 9.343 -0.537 1.00 0.00 C ATOM 416 CG GLU A 28 -5.774 9.866 -1.967 1.00 0.00 C ATOM 417 CD GLU A 28 -7.122 9.981 -2.679 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.712 11.081 -2.673 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.593 8.985 -3.282 1.00 0.00 O ATOM 0 H GLU A 28 -4.965 11.505 0.191 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.642 10.535 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.960 9.126 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.492 8.402 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.288 10.841 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.121 9.197 -2.527 1.00 0.00 H new ATOM 426 N TYR A 29 -5.865 9.706 2.622 1.00 0.00 N ATOM 427 CA TYR A 29 -5.928 9.151 3.967 1.00 0.00 C ATOM 428 C TYR A 29 -6.990 9.858 4.811 1.00 0.00 C ATOM 429 O TYR A 29 -7.669 9.201 5.603 1.00 0.00 O ATOM 430 CB TYR A 29 -4.533 9.200 4.612 1.00 0.00 C ATOM 431 CG TYR A 29 -4.457 8.799 6.075 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.361 9.785 7.076 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.367 7.443 6.434 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.171 9.420 8.419 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.185 7.070 7.776 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.086 8.057 8.776 1.00 0.00 C ATOM 437 OH TYR A 29 -3.896 7.694 10.073 1.00 0.00 O ATOM 0 H TYR A 29 -4.956 10.105 2.389 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.234 8.106 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.869 8.549 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.145 10.214 4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.434 10.829 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.438 6.681 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.090 10.183 9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.121 6.025 8.041 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.863 6.717 10.138 1.00 0.00 H new ATOM 447 N LEU A 30 -7.159 11.174 4.646 1.00 0.00 N ATOM 448 CA LEU A 30 -8.149 11.954 5.392 1.00 0.00 C ATOM 449 C LEU A 30 -9.582 11.623 4.964 1.00 0.00 C ATOM 450 O LEU A 30 -10.517 11.792 5.755 1.00 0.00 O ATOM 451 CB LEU A 30 -7.915 13.463 5.196 1.00 0.00 C ATOM 452 CG LEU A 30 -6.898 14.064 6.184 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.456 13.727 5.810 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.039 15.587 6.212 1.00 0.00 C ATOM 0 H LEU A 30 -6.611 11.729 3.989 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.026 11.689 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.567 13.639 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.865 13.986 5.303 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.114 13.631 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.778 14.174 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.324 12.645 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.236 14.122 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.317 16.006 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.853 15.988 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.048 15.853 6.528 1.00 0.00 H new ATOM 466 N ARG A 31 -9.777 11.198 3.715 1.00 0.00 N ATOM 467 CA ARG A 31 -11.090 10.859 3.189 1.00 0.00 C ATOM 468 C ARG A 31 -11.444 9.406 3.441 1.00 0.00 C ATOM 469 O ARG A 31 -12.439 9.127 4.111 1.00 0.00 O ATOM 470 CB ARG A 31 -11.155 11.155 1.689 1.00 0.00 C ATOM 471 CG ARG A 31 -11.137 12.659 1.408 1.00 0.00 C ATOM 472 CD ARG A 31 -11.718 12.856 0.012 1.00 0.00 C ATOM 473 NE ARG A 31 -11.606 14.222 -0.514 1.00 0.00 N ATOM 474 CZ ARG A 31 -12.036 14.557 -1.736 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.680 13.653 -2.474 1.00 0.00 N ATOM 476 NH2 ARG A 31 -11.833 15.772 -2.229 1.00 0.00 N ATOM 0 H ARG A 31 -9.021 11.080 3.040 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.818 11.477 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.311 10.681 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.061 10.717 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.726 13.198 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.121 13.050 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.216 12.175 -0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.771 12.573 0.028 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.185 14.942 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.841 12.715 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.012 13.899 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.341 16.472 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.169 16.006 -3.163 1.00 0.00 H new ATOM 490 N GLU A 32 -10.697 8.490 2.835 1.00 0.00 N ATOM 491 CA GLU A 32 -10.914 7.054 2.938 1.00 0.00 C ATOM 492 C GLU A 32 -9.654 6.287 2.523 1.00 0.00 C ATOM 493 O GLU A 32 -9.104 6.528 1.446 1.00 0.00 O ATOM 494 CB GLU A 32 -12.150 6.646 2.109 1.00 0.00 C ATOM 495 CG GLU A 32 -12.307 7.258 0.698 1.00 0.00 C ATOM 496 CD GLU A 32 -13.721 7.802 0.426 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.824 8.977 -0.001 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.730 7.063 0.565 1.00 0.00 O ATOM 0 H GLU A 32 -9.903 8.734 2.243 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.115 6.792 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.139 5.561 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.039 6.902 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.585 8.065 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.066 6.501 -0.048 1.00 0.00 H new ATOM 505 N HIS A 33 -9.200 5.359 3.373 1.00 0.00 N ATOM 506 CA HIS A 33 -8.006 4.533 3.184 1.00 0.00 C ATOM 507 C HIS A 33 -8.303 3.072 3.530 1.00 0.00 C ATOM 508 O HIS A 33 -9.450 2.659 3.368 1.00 0.00 O ATOM 509 CB HIS A 33 -6.828 5.166 3.944 1.00 0.00 C ATOM 510 CG HIS A 33 -6.959 5.271 5.447 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.575 6.287 6.151 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.387 4.426 6.363 1.00 0.00 C ATOM 513 CE1 HIS A 33 -7.398 6.033 7.459 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.709 4.893 7.641 1.00 0.00 N ATOM 0 H HIS A 33 -9.678 5.155 4.251 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.705 4.507 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.931 4.588 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.668 6.168 3.547 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.072 7.083 5.752 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.792 3.553 6.137 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.761 6.662 8.258 1.00 0.00 H new ATOM 522 N ILE A 34 -7.327 2.268 3.967 1.00 0.00 N ATOM 523 CA ILE A 34 -7.501 0.854 4.315 1.00 0.00 C ATOM 524 C ILE A 34 -6.999 0.636 5.750 1.00 0.00 C ATOM 525 O ILE A 34 -5.962 1.185 6.108 1.00 0.00 O ATOM 526 CB ILE A 34 -6.775 -0.022 3.267 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.534 0.054 1.924 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.660 -1.499 3.689 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.639 -0.304 0.746 1.00 0.00 C ATOM 0 H ILE A 34 -6.368 2.592 4.092 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.550 0.560 4.293 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.762 0.370 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.388 -0.623 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.930 1.060 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.141 -2.060 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.100 -1.568 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.657 -1.915 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.212 -0.238 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.799 0.390 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.264 -1.320 0.869 1.00 0.00 H new ATOM 541 N PRO A 35 -7.684 -0.175 6.578 1.00 0.00 N ATOM 542 CA PRO A 35 -7.278 -0.420 7.962 1.00 0.00 C ATOM 543 C PRO A 35 -5.958 -1.180 8.054 1.00 0.00 C ATOM 544 O PRO A 35 -5.165 -0.941 8.959 1.00 0.00 O ATOM 545 CB PRO A 35 -8.413 -1.225 8.599 1.00 0.00 C ATOM 546 CG PRO A 35 -9.117 -1.878 7.411 1.00 0.00 C ATOM 547 CD PRO A 35 -8.911 -0.889 6.274 1.00 0.00 C ATOM 0 HA PRO A 35 -7.108 0.524 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.031 -1.971 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.091 -0.583 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.686 -2.851 7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.176 -2.039 7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.834 -1.406 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.753 -0.201 6.198 1.00 0.00 H new ATOM 555 N GLU A 36 -5.707 -2.102 7.131 1.00 0.00 N ATOM 556 CA GLU A 36 -4.493 -2.913 7.066 1.00 0.00 C ATOM 557 C GLU A 36 -3.267 -2.086 6.623 1.00 0.00 C ATOM 558 O GLU A 36 -2.175 -2.639 6.488 1.00 0.00 O ATOM 559 CB GLU A 36 -4.759 -4.107 6.130 1.00 0.00 C ATOM 560 CG GLU A 36 -5.858 -5.045 6.666 1.00 0.00 C ATOM 561 CD GLU A 36 -6.019 -6.333 5.847 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.749 -6.302 4.630 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.508 -7.340 6.425 1.00 0.00 O ATOM 0 H GLU A 36 -6.365 -2.314 6.381 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.248 -3.282 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.050 -3.736 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.837 -4.672 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.628 -5.307 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.808 -4.510 6.677 1.00 0.00 H new ATOM 570 N ALA A 37 -3.426 -0.775 6.394 1.00 0.00 N ATOM 571 CA ALA A 37 -2.391 0.146 5.952 1.00 0.00 C ATOM 572 C ALA A 37 -2.211 1.329 6.901 1.00 0.00 C ATOM 573 O ALA A 37 -2.909 1.451 7.911 1.00 0.00 O ATOM 574 CB ALA A 37 -2.801 0.656 4.558 1.00 0.00 C ATOM 0 H ALA A 37 -4.327 -0.314 6.521 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.436 -0.379 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.048 1.352 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.883 -0.187 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.763 1.164 4.625 1.00 0.00 H new ATOM 580 N ASP A 38 -1.206 2.162 6.603 1.00 0.00 N ATOM 581 CA ASP A 38 -0.937 3.387 7.388 1.00 0.00 C ATOM 582 C ASP A 38 -1.145 4.592 6.467 1.00 0.00 C ATOM 583 O ASP A 38 -2.296 4.972 6.264 1.00 0.00 O ATOM 584 CB ASP A 38 0.399 3.371 8.158 1.00 0.00 C ATOM 585 CG ASP A 38 0.534 4.524 9.184 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.194 4.362 10.242 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.007 5.631 8.982 1.00 0.00 O ATOM 0 H ASP A 38 -0.562 2.015 5.825 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.650 3.453 8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.498 2.418 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.221 3.432 7.445 1.00 0.00 H new ATOM 592 N LEU A 39 -0.066 5.135 5.893 1.00 0.00 N ATOM 593 CA LEU A 39 0.044 6.267 4.971 1.00 0.00 C ATOM 594 C LEU A 39 1.513 6.645 4.920 1.00 0.00 C ATOM 595 O LEU A 39 2.162 6.788 5.965 1.00 0.00 O ATOM 596 CB LEU A 39 -0.770 7.496 5.431 1.00 0.00 C ATOM 597 CG LEU A 39 -0.413 8.817 4.705 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.848 8.827 3.233 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.993 10.026 5.436 1.00 0.00 C ATOM 0 H LEU A 39 0.856 4.745 6.087 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.353 5.972 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.830 7.290 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.620 7.634 6.502 1.00 0.00 H new ATOM 0 HG LEU A 39 0.675 8.884 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.571 9.778 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.354 8.013 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.928 8.697 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.725 10.937 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.078 9.938 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.590 10.067 6.448 1.00 0.00 H new ATOM 611 N ALA A 40 2.035 6.794 3.707 1.00 0.00 N ATOM 612 CA ALA A 40 3.412 7.184 3.422 1.00 0.00 C ATOM 613 C ALA A 40 3.469 7.536 1.928 1.00 0.00 C ATOM 614 O ALA A 40 3.827 6.680 1.116 1.00 0.00 O ATOM 615 CB ALA A 40 4.411 6.091 3.834 1.00 0.00 C ATOM 0 H ALA A 40 1.488 6.640 2.860 1.00 0.00 H new ATOM 0 HA ALA A 40 3.709 8.051 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.425 6.420 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.323 5.902 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.194 5.175 3.285 1.00 0.00 H new ATOM 621 N PRO A 41 3.071 8.765 1.545 1.00 0.00 N ATOM 622 CA PRO A 41 3.076 9.184 0.154 1.00 0.00 C ATOM 623 C PRO A 41 4.500 9.225 -0.395 1.00 0.00 C ATOM 624 O PRO A 41 5.456 9.495 0.340 1.00 0.00 O ATOM 625 CB PRO A 41 2.402 10.557 0.124 1.00 0.00 C ATOM 626 CG PRO A 41 2.501 11.090 1.549 1.00 0.00 C ATOM 627 CD PRO A 41 2.635 9.845 2.418 1.00 0.00 C ATOM 0 HA PRO A 41 2.537 8.483 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.900 11.224 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.362 10.477 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.361 11.750 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.617 11.668 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.356 10.009 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.684 9.600 2.890 1.00 0.00 H new ATOM 635 N LEU A 42 4.631 9.037 -1.714 1.00 0.00 N ATOM 636 CA LEU A 42 5.933 9.043 -2.380 1.00 0.00 C ATOM 637 C LEU A 42 6.678 10.350 -2.097 1.00 0.00 C ATOM 638 O LEU A 42 7.881 10.348 -1.848 1.00 0.00 O ATOM 639 CB LEU A 42 5.784 8.842 -3.902 1.00 0.00 C ATOM 640 CG LEU A 42 6.897 8.028 -4.605 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.203 7.839 -3.832 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.353 6.649 -4.970 1.00 0.00 C ATOM 0 H LEU A 42 3.843 8.878 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 42 6.512 8.211 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.831 8.348 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.731 9.824 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 42 7.164 8.631 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.899 7.253 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.642 8.813 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.000 7.316 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.132 6.070 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.037 6.131 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.501 6.760 -5.641 1.00 0.00 H new ATOM 654 N SER A 43 5.935 11.458 -2.075 1.00 0.00 N ATOM 655 CA SER A 43 6.464 12.784 -1.819 1.00 0.00 C ATOM 656 C SER A 43 7.261 12.850 -0.507 1.00 0.00 C ATOM 657 O SER A 43 8.171 13.673 -0.403 1.00 0.00 O ATOM 658 CB SER A 43 5.286 13.768 -1.814 1.00 0.00 C ATOM 659 OG SER A 43 5.734 15.103 -1.905 1.00 0.00 O ATOM 0 H SER A 43 4.928 11.450 -2.239 1.00 0.00 H new ATOM 0 HA SER A 43 7.172 13.050 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.621 13.547 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.705 13.638 -0.901 1.00 0.00 H new ATOM 0 HG SER A 43 4.963 15.708 -1.901 1.00 0.00 H new ATOM 665 N VAL A 44 6.942 12.019 0.494 1.00 0.00 N ATOM 666 CA VAL A 44 7.649 12.030 1.772 1.00 0.00 C ATOM 667 C VAL A 44 8.756 10.983 1.756 1.00 0.00 C ATOM 668 O VAL A 44 9.819 11.203 2.333 1.00 0.00 O ATOM 669 CB VAL A 44 6.645 11.805 2.921 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.340 11.715 4.287 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.653 12.976 2.982 1.00 0.00 C ATOM 0 H VAL A 44 6.194 11.328 0.438 1.00 0.00 H new ATOM 0 HA VAL A 44 8.120 12.999 1.934 1.00 0.00 H new ATOM 0 HB VAL A 44 6.137 10.862 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.594 11.556 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.043 10.882 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.878 12.643 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.946 12.812 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.197 13.905 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.111 13.043 2.039 1.00 0.00 H new ATOM 681 N LEU A 45 8.538 9.865 1.072 1.00 0.00 N ATOM 682 CA LEU A 45 9.488 8.774 0.976 1.00 0.00 C ATOM 683 C LEU A 45 10.763 9.152 0.258 1.00 0.00 C ATOM 684 O LEU A 45 11.847 8.865 0.755 1.00 0.00 O ATOM 685 CB LEU A 45 8.821 7.623 0.240 1.00 0.00 C ATOM 686 CG LEU A 45 7.950 6.824 1.214 1.00 0.00 C ATOM 687 CD1 LEU A 45 6.991 5.973 0.416 1.00 0.00 C ATOM 688 CD2 LEU A 45 8.817 5.928 2.090 1.00 0.00 C ATOM 0 H LEU A 45 7.674 9.693 0.558 1.00 0.00 H new ATOM 0 HA LEU A 45 9.772 8.495 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.211 8.006 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.577 6.975 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 45 7.401 7.512 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.363 5.397 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.363 6.615 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.554 5.292 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.183 5.367 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.374 5.234 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.515 6.542 2.660 1.00 0.00 H new ATOM 700 N GLU A 46 10.650 9.781 -0.902 1.00 0.00 N ATOM 701 CA GLU A 46 11.825 10.192 -1.665 1.00 0.00 C ATOM 702 C GLU A 46 12.706 11.158 -0.848 1.00 0.00 C ATOM 703 O GLU A 46 13.928 11.170 -0.991 1.00 0.00 O ATOM 704 CB GLU A 46 11.381 10.824 -2.982 1.00 0.00 C ATOM 705 CG GLU A 46 11.012 9.710 -3.971 1.00 0.00 C ATOM 706 CD GLU A 46 12.172 9.247 -4.841 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.883 8.302 -4.425 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.283 9.671 -6.011 1.00 0.00 O ATOM 0 H GLU A 46 9.759 10.019 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 46 12.432 9.313 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.525 11.479 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.180 11.442 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.626 8.857 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.206 10.062 -4.615 1.00 0.00 H new ATOM 715 N GLN A 47 12.079 11.955 0.024 1.00 0.00 N ATOM 716 CA GLN A 47 12.737 12.935 0.874 1.00 0.00 C ATOM 717 C GLN A 47 13.216 12.337 2.205 1.00 0.00 C ATOM 718 O GLN A 47 14.419 12.163 2.404 1.00 0.00 O ATOM 719 CB GLN A 47 11.803 14.140 1.104 1.00 0.00 C ATOM 720 CG GLN A 47 11.522 14.924 -0.185 1.00 0.00 C ATOM 721 CD GLN A 47 10.719 16.192 0.099 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.258 17.200 0.549 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.421 16.180 -0.132 1.00 0.00 N ATOM 0 H GLN A 47 11.068 11.930 0.157 1.00 0.00 H new ATOM 0 HA GLN A 47 13.634 13.273 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.860 13.789 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.251 14.807 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.464 15.188 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.974 14.293 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.977 15.341 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.861 17.010 0.063 1.00 0.00 H new ATOM 732 N SER A 48 12.287 12.101 3.133 1.00 0.00 N ATOM 733 CA SER A 48 12.538 11.572 4.460 1.00 0.00 C ATOM 734 C SER A 48 12.862 10.083 4.423 1.00 0.00 C ATOM 735 O SER A 48 13.898 9.682 4.959 1.00 0.00 O ATOM 736 CB SER A 48 11.328 11.868 5.363 1.00 0.00 C ATOM 737 OG SER A 48 11.572 11.459 6.698 1.00 0.00 O ATOM 0 H SER A 48 11.298 12.284 2.965 1.00 0.00 H new ATOM 0 HA SER A 48 13.417 12.066 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.107 12.935 5.341 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.448 11.353 4.977 1.00 0.00 H new ATOM 0 HG SER A 48 10.788 11.660 7.250 1.00 0.00 H new ATOM 743 N GLY A 49 12.009 9.273 3.788 1.00 0.00 N ATOM 744 CA GLY A 49 12.186 7.833 3.719 1.00 0.00 C ATOM 745 C GLY A 49 11.184 7.179 4.663 1.00 0.00 C ATOM 746 O GLY A 49 10.539 7.844 5.482 1.00 0.00 O ATOM 0 H GLY A 49 11.174 9.607 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.032 7.480 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.204 7.562 4.000 1.00 0.00 H new ATOM 750 N LEU A 50 11.022 5.866 4.532 1.00 0.00 N ATOM 751 CA LEU A 50 10.097 5.077 5.332 1.00 0.00 C ATOM 752 C LEU A 50 10.467 5.156 6.826 1.00 0.00 C ATOM 753 O LEU A 50 11.654 5.096 7.150 1.00 0.00 O ATOM 754 CB LEU A 50 10.146 3.652 4.780 1.00 0.00 C ATOM 755 CG LEU A 50 9.047 2.721 5.296 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.658 3.061 4.738 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.422 1.320 4.812 1.00 0.00 C ATOM 0 H LEU A 50 11.542 5.311 3.852 1.00 0.00 H new ATOM 0 HA LEU A 50 9.078 5.457 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.082 3.697 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.115 3.217 5.025 1.00 0.00 H new ATOM 0 HG LEU A 50 8.984 2.813 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.923 2.365 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.390 4.078 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.673 2.982 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.672 0.605 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.467 1.311 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.395 1.043 5.217 1.00 0.00 H new ATOM 769 N PRO A 51 9.501 5.311 7.748 1.00 0.00 N ATOM 770 CA PRO A 51 9.772 5.408 9.174 1.00 0.00 C ATOM 771 C PRO A 51 10.042 4.021 9.751 1.00 0.00 C ATOM 772 O PRO A 51 9.451 3.031 9.309 1.00 0.00 O ATOM 773 CB PRO A 51 8.521 6.041 9.782 1.00 0.00 C ATOM 774 CG PRO A 51 7.404 5.587 8.852 1.00 0.00 C ATOM 775 CD PRO A 51 8.076 5.376 7.495 1.00 0.00 C ATOM 0 HA PRO A 51 10.656 6.007 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.355 5.700 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.598 7.128 9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.942 4.667 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.615 6.336 8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.723 4.458 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.840 6.193 6.814 1.00 0.00 H new ATOM 783 N ALA A 52 10.809 3.973 10.843 1.00 0.00 N ATOM 784 CA ALA A 52 11.208 2.744 11.522 1.00 0.00 C ATOM 785 C ALA A 52 10.071 1.817 11.984 1.00 0.00 C ATOM 786 O ALA A 52 10.337 0.660 12.315 1.00 0.00 O ATOM 787 CB ALA A 52 12.111 3.085 12.709 1.00 0.00 C ATOM 0 H ALA A 52 11.178 4.813 11.289 1.00 0.00 H new ATOM 0 HA ALA A 52 11.734 2.168 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.408 2.167 13.215 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.999 3.607 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.570 3.725 13.406 1.00 0.00 H new ATOM 793 N LYS A 53 8.814 2.273 12.020 1.00 0.00 N ATOM 794 CA LYS A 53 7.688 1.427 12.434 1.00 0.00 C ATOM 795 C LYS A 53 6.927 0.880 11.233 1.00 0.00 C ATOM 796 O LYS A 53 6.331 -0.192 11.325 1.00 0.00 O ATOM 797 CB LYS A 53 6.726 2.168 13.374 1.00 0.00 C ATOM 798 CG LYS A 53 7.384 3.018 14.466 1.00 0.00 C ATOM 799 CD LYS A 53 8.403 2.265 15.325 1.00 0.00 C ATOM 800 CE LYS A 53 7.758 1.198 16.209 1.00 0.00 C ATOM 801 NZ LYS A 53 8.787 0.382 16.882 1.00 0.00 N ATOM 0 H LYS A 53 8.550 3.225 11.767 1.00 0.00 H new ATOM 0 HA LYS A 53 8.118 0.589 12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.086 2.814 12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.078 1.434 13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.879 3.869 13.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.606 3.420 15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.142 1.795 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.938 2.977 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.120 1.674 16.954 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.117 0.557 15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.326 -0.336 17.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.379 -0.088 16.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.382 0.994 17.476 1.00 0.00 H new ATOM 815 N LEU A 54 6.948 1.590 10.099 1.00 0.00 N ATOM 816 CA LEU A 54 6.247 1.176 8.880 1.00 0.00 C ATOM 817 C LEU A 54 7.189 0.453 7.922 1.00 0.00 C ATOM 818 O LEU A 54 6.923 0.381 6.725 1.00 0.00 O ATOM 819 CB LEU A 54 5.543 2.350 8.189 1.00 0.00 C ATOM 820 CG LEU A 54 4.618 3.137 9.126 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.038 4.323 8.348 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.506 2.292 9.752 1.00 0.00 C ATOM 0 H LEU A 54 7.454 2.471 10.002 1.00 0.00 H new ATOM 0 HA LEU A 54 5.469 0.474 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.294 3.025 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.961 1.972 7.348 1.00 0.00 H new ATOM 0 HG LEU A 54 5.215 3.483 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.377 4.896 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.850 4.963 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.475 3.955 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.894 2.919 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.883 1.869 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.948 1.485 10.337 1.00 0.00 H new ATOM 834 N ARG A 55 8.271 -0.112 8.444 1.00 0.00 N ATOM 835 CA ARG A 55 9.303 -0.853 7.730 1.00 0.00 C ATOM 836 C ARG A 55 9.337 -2.310 8.212 1.00 0.00 C ATOM 837 O ARG A 55 10.402 -2.826 8.566 1.00 0.00 O ATOM 838 CB ARG A 55 10.636 -0.107 7.909 1.00 0.00 C ATOM 839 CG ARG A 55 11.101 -0.115 9.359 1.00 0.00 C ATOM 840 CD ARG A 55 12.609 -0.317 9.409 1.00 0.00 C ATOM 841 NE ARG A 55 13.095 -0.625 10.758 1.00 0.00 N ATOM 842 CZ ARG A 55 12.988 -1.823 11.348 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.268 -2.805 10.805 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.624 -2.028 12.493 1.00 0.00 N ATOM 0 H ARG A 55 8.463 -0.061 9.444 1.00 0.00 H new ATOM 0 HA ARG A 55 9.093 -0.904 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.398 -0.569 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.524 0.923 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.833 0.824 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.599 -0.911 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.885 -1.127 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.104 0.584 9.046 1.00 0.00 H new ATOM 0 HE ARG A 55 13.545 0.124 11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.783 -2.653 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.202 -3.708 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.181 -1.281 12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.556 -2.933 12.959 1.00 0.00 H new ATOM 858 N HIS A 56 8.158 -2.922 8.354 1.00 0.00 N ATOM 859 CA HIS A 56 8.036 -4.303 8.803 1.00 0.00 C ATOM 860 C HIS A 56 8.847 -5.211 7.873 1.00 0.00 C ATOM 861 O HIS A 56 9.077 -4.858 6.720 1.00 0.00 O ATOM 862 CB HIS A 56 6.558 -4.719 8.873 1.00 0.00 C ATOM 863 CG HIS A 56 6.349 -5.878 9.811 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.450 -5.816 11.181 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.129 -7.183 9.464 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.326 -7.068 11.651 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.115 -7.938 10.645 1.00 0.00 N ATOM 0 H HIS A 56 7.264 -2.470 8.160 1.00 0.00 H new ATOM 0 HA HIS A 56 8.440 -4.401 9.811 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.957 -3.872 9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.209 -4.990 7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.991 -7.562 8.462 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.387 -7.340 12.694 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.973 -8.945 10.726 1.00 0.00 H new ATOM 875 N GLU A 57 9.167 -6.421 8.332 1.00 0.00 N ATOM 876 CA GLU A 57 9.967 -7.427 7.626 1.00 0.00 C ATOM 877 C GLU A 57 9.547 -7.662 6.170 1.00 0.00 C ATOM 878 O GLU A 57 10.391 -7.984 5.335 1.00 0.00 O ATOM 879 CB GLU A 57 9.995 -8.765 8.398 1.00 0.00 C ATOM 880 CG GLU A 57 9.972 -8.687 9.936 1.00 0.00 C ATOM 881 CD GLU A 57 10.883 -7.607 10.522 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.119 -7.799 10.599 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.358 -6.556 10.949 1.00 0.00 O ATOM 0 H GLU A 57 8.862 -6.744 9.250 1.00 0.00 H new ATOM 0 HA GLU A 57 10.973 -7.009 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.140 -9.359 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.891 -9.309 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.949 -8.501 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.266 -9.655 10.342 1.00 0.00 H new ATOM 890 N GLN A 58 8.253 -7.554 5.860 1.00 0.00 N ATOM 891 CA GLN A 58 7.703 -7.729 4.525 1.00 0.00 C ATOM 892 C GLN A 58 6.538 -6.772 4.398 1.00 0.00 C ATOM 893 O GLN A 58 5.699 -6.705 5.302 1.00 0.00 O ATOM 894 CB GLN A 58 7.240 -9.176 4.277 1.00 0.00 C ATOM 895 CG GLN A 58 8.309 -10.234 4.586 1.00 0.00 C ATOM 896 CD GLN A 58 7.910 -11.600 4.051 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.829 -11.800 2.843 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.623 -12.559 4.916 1.00 0.00 N ATOM 0 H GLN A 58 7.541 -7.335 6.557 1.00 0.00 H new ATOM 0 HA GLN A 58 8.471 -7.522 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.359 -9.375 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.935 -9.276 3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.259 -9.933 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.462 -10.294 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.694 -12.380 5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.331 -13.477 4.581 1.00 0.00 H new ATOM 907 N ILE A 59 6.493 -6.025 3.298 1.00 0.00 N ATOM 908 CA ILE A 59 5.449 -5.055 3.033 1.00 0.00 C ATOM 909 C ILE A 59 5.043 -5.102 1.555 1.00 0.00 C ATOM 910 O ILE A 59 5.687 -5.755 0.732 1.00 0.00 O ATOM 911 CB ILE A 59 5.879 -3.651 3.511 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.812 -2.970 2.501 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.541 -3.634 4.901 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.139 -1.515 2.864 1.00 0.00 C ATOM 0 H ILE A 59 7.194 -6.082 2.559 1.00 0.00 H new ATOM 0 HA ILE A 59 4.557 -5.309 3.606 1.00 0.00 H new ATOM 0 HB ILE A 59 4.946 -3.093 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.740 -3.538 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.350 -2.996 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.813 -2.611 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.843 -4.024 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.437 -4.255 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.802 -1.092 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.218 -0.934 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.630 -1.484 3.837 1.00 0.00 H new ATOM 926 N ILE A 60 3.986 -4.373 1.216 1.00 0.00 N ATOM 927 CA ILE A 60 3.387 -4.269 -0.113 1.00 0.00 C ATOM 928 C ILE A 60 3.010 -2.806 -0.372 1.00 0.00 C ATOM 929 O ILE A 60 2.339 -2.180 0.455 1.00 0.00 O ATOM 930 CB ILE A 60 2.139 -5.186 -0.204 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.442 -6.677 0.098 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.470 -5.096 -1.589 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.560 -7.246 1.209 1.00 0.00 C ATOM 0 H ILE A 60 3.493 -3.803 1.903 1.00 0.00 H new ATOM 0 HA ILE A 60 4.099 -4.594 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 60 1.464 -4.814 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.299 -7.263 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.489 -6.780 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.600 -5.752 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.157 -4.069 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.180 -5.404 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.816 -8.292 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.721 -6.681 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.513 -7.172 0.916 1.00 0.00 H new ATOM 945 N PHE A 61 3.476 -2.255 -1.497 1.00 0.00 N ATOM 946 CA PHE A 61 3.205 -0.887 -1.910 1.00 0.00 C ATOM 947 C PHE A 61 1.977 -0.916 -2.814 1.00 0.00 C ATOM 948 O PHE A 61 1.936 -1.674 -3.786 1.00 0.00 O ATOM 949 CB PHE A 61 4.398 -0.277 -2.670 1.00 0.00 C ATOM 950 CG PHE A 61 5.614 0.073 -1.832 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.532 1.109 -0.882 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.827 -0.627 -1.980 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.634 1.440 -0.078 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.937 -0.278 -1.192 1.00 0.00 C ATOM 955 CZ PHE A 61 7.834 0.732 -0.227 1.00 0.00 C ATOM 0 H PHE A 61 4.065 -2.764 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 61 3.034 -0.268 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.706 -0.978 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.057 0.627 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.608 1.657 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.904 -1.430 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.558 2.234 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.876 -0.792 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.680 0.965 0.403 1.00 0.00 H new ATOM 965 N HIS A 62 0.991 -0.068 -2.530 1.00 0.00 N ATOM 966 CA HIS A 62 -0.240 0.034 -3.307 1.00 0.00 C ATOM 967 C HIS A 62 -0.611 1.506 -3.506 1.00 0.00 C ATOM 968 O HIS A 62 -0.134 2.384 -2.777 1.00 0.00 O ATOM 969 CB HIS A 62 -1.369 -0.776 -2.642 1.00 0.00 C ATOM 970 CG HIS A 62 -1.994 -0.184 -1.403 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.376 0.632 -0.481 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.266 -0.433 -0.952 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.268 0.913 0.478 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.434 0.306 0.225 1.00 0.00 N ATOM 0 H HIS A 62 1.026 0.577 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.084 -0.399 -4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.157 -0.929 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.976 -1.760 -2.387 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.412 0.963 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.998 -1.077 -1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.074 1.541 1.335 1.00 0.00 H new ATOM 982 N CYS A 63 -1.427 1.797 -4.520 1.00 0.00 N ATOM 983 CA CYS A 63 -1.903 3.136 -4.839 1.00 0.00 C ATOM 984 C CYS A 63 -3.242 3.016 -5.578 1.00 0.00 C ATOM 985 O CYS A 63 -3.899 1.985 -5.447 1.00 0.00 O ATOM 986 CB CYS A 63 -0.819 3.956 -5.557 1.00 0.00 C ATOM 987 SG CYS A 63 -0.415 3.378 -7.227 1.00 0.00 S ATOM 0 H CYS A 63 -1.783 1.085 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.100 3.711 -3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.147 4.994 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.088 3.942 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 63 0.506 4.140 -7.739 1.00 0.00 H new ATOM 993 N GLN A 64 -3.682 4.047 -6.310 1.00 0.00 N ATOM 994 CA GLN A 64 -4.943 4.036 -7.054 1.00 0.00 C ATOM 995 C GLN A 64 -5.059 2.791 -7.937 1.00 0.00 C ATOM 996 O GLN A 64 -6.092 2.121 -7.888 1.00 0.00 O ATOM 997 CB GLN A 64 -5.108 5.337 -7.852 1.00 0.00 C ATOM 998 CG GLN A 64 -6.452 5.441 -8.586 1.00 0.00 C ATOM 999 CD GLN A 64 -6.734 6.878 -9.031 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.020 7.475 -9.836 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.754 7.516 -8.490 1.00 0.00 N ATOM 0 H GLN A 64 -3.165 4.921 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.765 3.985 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.007 6.185 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.300 5.412 -8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.446 4.784 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.253 5.097 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.357 7.038 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.939 8.487 -8.741 1.00 0.00 H new ATOM 1087 N SER A 70 5.264 0.044 -9.373 1.00 0.00 N ATOM 1088 CA SER A 70 6.367 -0.544 -10.116 1.00 0.00 C ATOM 1089 C SER A 70 7.317 0.543 -10.640 1.00 0.00 C ATOM 1090 O SER A 70 8.537 0.404 -10.572 1.00 0.00 O ATOM 1091 CB SER A 70 5.775 -1.374 -11.252 1.00 0.00 C ATOM 1092 OG SER A 70 6.755 -2.202 -11.827 1.00 0.00 O ATOM 0 HA SER A 70 6.963 -1.186 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.954 -1.983 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.358 -0.714 -12.012 1.00 0.00 H new ATOM 0 HG SER A 70 6.356 -2.727 -12.552 1.00 0.00 H new ATOM 1098 N ASN A 71 6.764 1.676 -11.072 1.00 0.00 N ATOM 1099 CA ASN A 71 7.507 2.812 -11.625 1.00 0.00 C ATOM 1100 C ASN A 71 8.633 3.335 -10.747 1.00 0.00 C ATOM 1101 O ASN A 71 9.645 3.745 -11.303 1.00 0.00 O ATOM 1102 CB ASN A 71 6.573 3.985 -11.902 1.00 0.00 C ATOM 1103 CG ASN A 71 7.283 5.177 -12.533 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.393 5.281 -13.748 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.702 6.162 -11.754 1.00 0.00 N ATOM 0 H ASN A 71 5.757 1.835 -11.047 1.00 0.00 H new ATOM 0 HA ASN A 71 7.954 2.413 -12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.771 3.655 -12.563 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.107 4.300 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.113 6.999 -12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.614 6.084 -10.741 1.00 0.00 H new ATOM 1112 N ASN A 72 8.452 3.399 -9.423 1.00 0.00 N ATOM 1113 CA ASN A 72 9.468 3.893 -8.485 1.00 0.00 C ATOM 1114 C ASN A 72 10.135 2.754 -7.707 1.00 0.00 C ATOM 1115 O ASN A 72 10.977 3.031 -6.849 1.00 0.00 O ATOM 1116 CB ASN A 72 8.847 4.888 -7.488 1.00 0.00 C ATOM 1117 CG ASN A 72 8.670 6.290 -8.041 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.912 6.517 -8.977 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.343 7.270 -7.457 1.00 0.00 N ATOM 0 H ASN A 72 7.588 3.106 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 72 10.230 4.394 -9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.876 4.509 -7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.477 4.936 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.234 8.230 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.970 7.065 -6.679 1.00 0.00 H new ATOM 1126 N ALA A 73 9.757 1.501 -7.970 1.00 0.00 N ATOM 1127 CA ALA A 73 10.244 0.285 -7.333 1.00 0.00 C ATOM 1128 C ALA A 73 11.755 0.261 -7.110 1.00 0.00 C ATOM 1129 O ALA A 73 12.193 -0.125 -6.032 1.00 0.00 O ATOM 1130 CB ALA A 73 9.805 -0.912 -8.165 1.00 0.00 C ATOM 0 H ALA A 73 9.055 1.301 -8.682 1.00 0.00 H new ATOM 0 HA ALA A 73 9.807 0.246 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.163 -1.830 -7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.717 -0.935 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.220 -0.829 -9.169 1.00 0.00 H new ATOM 1136 N ASP A 74 12.522 0.734 -8.090 1.00 0.00 N ATOM 1137 CA ASP A 74 13.987 0.807 -8.122 1.00 0.00 C ATOM 1138 C ASP A 74 14.551 1.368 -6.815 1.00 0.00 C ATOM 1139 O ASP A 74 15.516 0.843 -6.262 1.00 0.00 O ATOM 1140 CB ASP A 74 14.380 1.699 -9.311 1.00 0.00 C ATOM 1141 CG ASP A 74 15.805 1.586 -9.846 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.010 2.097 -10.978 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.712 1.033 -9.188 1.00 0.00 O ATOM 0 H ASP A 74 12.109 1.104 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 74 14.404 -0.193 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.696 1.483 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.213 2.736 -9.021 1.00 0.00 H new ATOM 1148 N LYS A 75 13.910 2.420 -6.293 1.00 0.00 N ATOM 1149 CA LYS A 75 14.312 3.090 -5.053 1.00 0.00 C ATOM 1150 C LYS A 75 13.361 2.717 -3.935 1.00 0.00 C ATOM 1151 O LYS A 75 13.799 2.523 -2.806 1.00 0.00 O ATOM 1152 CB LYS A 75 14.390 4.613 -5.217 1.00 0.00 C ATOM 1153 CG LYS A 75 14.918 5.042 -6.598 1.00 0.00 C ATOM 1154 CD LYS A 75 13.743 5.483 -7.485 1.00 0.00 C ATOM 1155 CE LYS A 75 13.655 7.004 -7.283 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.487 7.659 -7.898 1.00 0.00 N ATOM 0 H LYS A 75 13.086 2.835 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 75 15.316 2.749 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.399 5.041 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.038 5.024 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.631 5.859 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.451 4.215 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.919 5.231 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.817 4.990 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.644 7.211 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.559 7.460 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.109 8.376 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.773 8.115 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.754 6.948 -8.094 1.00 0.00 H new ATOM 1170 N LEU A 76 12.062 2.585 -4.239 1.00 0.00 N ATOM 1171 CA LEU A 76 11.070 2.197 -3.219 1.00 0.00 C ATOM 1172 C LEU A 76 11.521 0.941 -2.477 1.00 0.00 C ATOM 1173 O LEU A 76 11.375 0.890 -1.253 1.00 0.00 O ATOM 1174 CB LEU A 76 9.662 1.947 -3.779 1.00 0.00 C ATOM 1175 CG LEU A 76 8.860 3.198 -4.145 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.535 2.770 -4.791 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.553 4.079 -2.930 1.00 0.00 C ATOM 0 H LEU A 76 11.674 2.738 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 76 11.009 3.051 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.750 1.322 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.095 1.377 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 76 9.468 3.785 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.956 3.655 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.740 2.188 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.967 2.162 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.983 4.952 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.971 3.510 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.487 4.404 -2.471 1.00 0.00 H new ATOM 1189 N ALA A 77 12.045 -0.049 -3.209 1.00 0.00 N ATOM 1190 CA ALA A 77 12.554 -1.292 -2.647 1.00 0.00 C ATOM 1191 C ALA A 77 13.679 -0.967 -1.674 1.00 0.00 C ATOM 1192 O ALA A 77 13.601 -1.369 -0.523 1.00 0.00 O ATOM 1193 CB ALA A 77 13.087 -2.207 -3.750 1.00 0.00 C ATOM 0 H ALA A 77 12.126 -0.002 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 77 11.743 -1.807 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.462 -3.130 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.284 -2.440 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.895 -1.704 -4.281 1.00 0.00 H new ATOM 1199 N ALA A 78 14.701 -0.230 -2.116 1.00 0.00 N ATOM 1200 CA ALA A 78 15.852 0.142 -1.302 1.00 0.00 C ATOM 1201 C ALA A 78 15.452 0.886 -0.024 1.00 0.00 C ATOM 1202 O ALA A 78 15.990 0.593 1.043 1.00 0.00 O ATOM 1203 CB ALA A 78 16.824 0.967 -2.143 1.00 0.00 C ATOM 0 H ALA A 78 14.749 0.130 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 78 16.344 -0.774 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.685 1.246 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.158 0.377 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.324 1.868 -2.498 1.00 0.00 H new ATOM 1209 N ILE A 79 14.506 1.826 -0.105 1.00 0.00 N ATOM 1210 CA ILE A 79 14.015 2.602 1.036 1.00 0.00 C ATOM 1211 C ILE A 79 13.423 1.660 2.108 1.00 0.00 C ATOM 1212 O ILE A 79 13.496 1.954 3.302 1.00 0.00 O ATOM 1213 CB ILE A 79 12.973 3.634 0.531 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.582 4.790 -0.284 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.200 4.259 1.706 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.581 5.493 -1.224 1.00 0.00 C ATOM 0 H ILE A 79 14.051 2.073 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 79 14.837 3.143 1.505 1.00 0.00 H new ATOM 0 HB ILE A 79 12.314 3.061 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.997 5.527 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.412 4.405 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.476 4.979 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.677 3.476 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.898 4.766 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.088 6.294 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.184 4.771 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.763 5.911 -0.637 1.00 0.00 H new ATOM 1228 N ALA A 80 12.791 0.558 1.695 1.00 0.00 N ATOM 1229 CA ALA A 80 12.184 -0.413 2.603 1.00 0.00 C ATOM 1230 C ALA A 80 13.137 -1.555 2.977 1.00 0.00 C ATOM 1231 O ALA A 80 13.003 -2.124 4.060 1.00 0.00 O ATOM 1232 CB ALA A 80 10.934 -0.994 1.936 1.00 0.00 C ATOM 0 H ALA A 80 12.687 0.314 0.710 1.00 0.00 H new ATOM 0 HA ALA A 80 11.934 0.109 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.470 -1.721 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.227 -0.191 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.214 -1.484 1.003 1.00 0.00 H new ATOM 1238 N ALA A 81 14.094 -1.887 2.108 1.00 0.00 N ATOM 1239 CA ALA A 81 15.059 -2.955 2.303 1.00 0.00 C ATOM 1240 C ALA A 81 15.809 -2.789 3.632 1.00 0.00 C ATOM 1241 O ALA A 81 15.983 -1.650 4.079 1.00 0.00 O ATOM 1242 CB ALA A 81 16.022 -3.020 1.131 1.00 0.00 C ATOM 0 H ALA A 81 14.217 -1.399 1.221 1.00 0.00 H new ATOM 0 HA ALA A 81 14.518 -3.900 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.738 -3.825 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.466 -3.208 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.554 -2.073 1.045 1.00 0.00 H new ATOM 1248 N PRO A 82 16.309 -3.874 4.252 1.00 0.00 N ATOM 1249 CA PRO A 82 16.264 -5.285 3.845 1.00 0.00 C ATOM 1250 C PRO A 82 14.879 -5.955 3.928 1.00 0.00 C ATOM 1251 O PRO A 82 14.809 -7.182 3.954 1.00 0.00 O ATOM 1252 CB PRO A 82 17.289 -5.979 4.758 1.00 0.00 C ATOM 1253 CG PRO A 82 17.202 -5.161 6.039 1.00 0.00 C ATOM 1254 CD PRO A 82 17.071 -3.752 5.480 1.00 0.00 C ATOM 0 HA PRO A 82 16.496 -5.370 2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.037 -7.026 4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.292 -5.958 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.345 -5.443 6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.089 -5.276 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.565 -3.097 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.052 -3.316 5.288 1.00 0.00 H new ATOM 1262 N ALA A 83 13.783 -5.209 4.083 1.00 0.00 N ATOM 1263 CA ALA A 83 12.461 -5.819 4.131 1.00 0.00 C ATOM 1264 C ALA A 83 12.049 -6.199 2.711 1.00 0.00 C ATOM 1265 O ALA A 83 12.572 -5.637 1.741 1.00 0.00 O ATOM 1266 CB ALA A 83 11.419 -4.856 4.691 1.00 0.00 C ATOM 0 H ALA A 83 13.788 -4.193 4.176 1.00 0.00 H new ATOM 0 HA ALA A 83 12.511 -6.693 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.445 -5.345 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.700 -4.564 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.366 -3.969 4.059 1.00 0.00 H new ATOM 1272 N GLU A 84 11.144 -7.165 2.578 1.00 0.00 N ATOM 1273 CA GLU A 84 10.656 -7.578 1.270 1.00 0.00 C ATOM 1274 C GLU A 84 9.585 -6.590 0.857 1.00 0.00 C ATOM 1275 O GLU A 84 8.895 -5.992 1.687 1.00 0.00 O ATOM 1276 CB GLU A 84 10.096 -9.001 1.242 1.00 0.00 C ATOM 1277 CG GLU A 84 11.211 -10.007 0.969 1.00 0.00 C ATOM 1278 CD GLU A 84 11.858 -9.874 -0.412 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.156 -10.026 -1.435 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.089 -9.628 -0.475 1.00 0.00 O ATOM 0 H GLU A 84 10.735 -7.675 3.361 1.00 0.00 H new ATOM 0 HA GLU A 84 11.498 -7.584 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.617 -9.229 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.329 -9.081 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.982 -9.892 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.808 -11.015 1.073 1.00 0.00 H new ATOM 1287 N ILE A 85 9.438 -6.470 -0.455 1.00 0.00 N ATOM 1288 CA ILE A 85 8.509 -5.562 -1.080 1.00 0.00 C ATOM 1289 C ILE A 85 7.814 -6.213 -2.273 1.00 0.00 C ATOM 1290 O ILE A 85 8.423 -6.971 -3.028 1.00 0.00 O ATOM 1291 CB ILE A 85 9.215 -4.252 -1.470 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.578 -4.414 -2.172 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.305 -3.303 -0.265 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.782 -4.601 -1.232 1.00 0.00 C ATOM 0 H ILE A 85 9.979 -7.019 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 85 7.731 -5.316 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 85 8.579 -3.807 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.524 -5.272 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.755 -3.536 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.808 -2.383 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.301 -3.069 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.870 -3.782 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.692 -4.706 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.872 -3.733 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.636 -5.497 -0.628 1.00 0.00 H new ATOM 1306 N PHE A 86 6.553 -5.844 -2.481 1.00 0.00 N ATOM 1307 CA PHE A 86 5.673 -6.308 -3.545 1.00 0.00 C ATOM 1308 C PHE A 86 4.811 -5.129 -3.997 1.00 0.00 C ATOM 1309 O PHE A 86 4.673 -4.171 -3.229 1.00 0.00 O ATOM 1310 CB PHE A 86 4.735 -7.379 -2.972 1.00 0.00 C ATOM 1311 CG PHE A 86 5.388 -8.647 -2.457 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.834 -8.731 -1.125 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.429 -9.791 -3.270 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.397 -9.923 -0.635 1.00 0.00 C ATOM 1315 CE2 PHE A 86 5.947 -10.995 -2.771 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.462 -11.058 -1.463 1.00 0.00 C ATOM 0 H PHE A 86 6.091 -5.170 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 86 6.258 -6.709 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.166 -6.933 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.019 -7.655 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.743 -7.874 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.060 -9.744 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.778 -9.967 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.951 -11.878 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.905 -11.973 -1.097 1.00 0.00 H new ATOM 1326 N LEU A 87 4.221 -5.167 -5.197 1.00 0.00 N ATOM 1327 CA LEU A 87 3.360 -4.119 -5.696 1.00 0.00 C ATOM 1328 C LEU A 87 1.954 -4.672 -5.923 1.00 0.00 C ATOM 1329 O LEU A 87 1.814 -5.793 -6.411 1.00 0.00 O ATOM 1330 CB LEU A 87 3.858 -3.648 -7.058 1.00 0.00 C ATOM 1331 CG LEU A 87 5.281 -3.104 -7.200 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.818 -2.318 -5.999 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.319 -4.096 -7.718 1.00 0.00 C ATOM 0 H LEU A 87 4.338 -5.943 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 87 3.358 -3.307 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.760 -4.486 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.176 -2.870 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 87 5.132 -2.374 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.833 -1.981 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.179 -1.454 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.824 -2.959 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.291 -3.607 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.383 -4.945 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.026 -4.446 -8.708 1.00 0.00 H new ATOM 1345 N LEU A 88 0.926 -3.883 -5.615 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.467 -4.268 -5.827 1.00 0.00 C ATOM 1347 C LEU A 88 -0.855 -3.611 -7.147 1.00 0.00 C ATOM 1348 O LEU A 88 -1.201 -2.429 -7.162 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.371 -3.787 -4.686 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.845 -4.200 -4.905 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.077 -5.663 -4.527 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.800 -3.306 -4.105 1.00 0.00 C ATOM 0 H LEU A 88 1.037 -2.954 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.585 -5.351 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.015 -4.200 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.306 -2.702 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.053 -4.075 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.123 -5.920 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.444 -6.303 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.829 -5.811 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.828 -3.623 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.572 -3.389 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.680 -2.270 -4.422 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.763 -4.341 -8.255 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.095 -3.798 -9.566 1.00 0.00 C ATOM 1366 C GLU A 89 -2.583 -3.434 -9.693 1.00 0.00 C ATOM 1367 O GLU A 89 -2.934 -2.486 -10.401 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.644 -4.806 -10.628 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.906 -4.387 -12.073 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.302 -3.043 -12.489 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.923 -2.371 -13.349 1.00 0.00 O ATOM 1372 OE2 GLU A 89 0.783 -2.667 -11.987 1.00 0.00 O ATOM 0 H GLU A 89 -0.460 -5.315 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.566 -2.856 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.424 -4.985 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.149 -5.754 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.516 -5.161 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.984 -4.346 -12.231 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.466 -4.149 -8.992 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.911 -3.915 -9.021 1.00 0.00 C ATOM 1381 C ASP A 90 -5.274 -2.567 -8.399 1.00 0.00 C ATOM 1382 O ASP A 90 -6.275 -1.957 -8.791 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.664 -5.027 -8.272 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.051 -6.182 -9.190 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -5.165 -6.986 -9.560 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.243 -6.312 -9.550 1.00 0.00 O ATOM 0 H ASP A 90 -3.193 -4.918 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.209 -3.914 -10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.040 -5.403 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.562 -4.611 -7.816 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.480 -2.101 -7.436 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.679 -0.845 -6.738 1.00 0.00 C ATOM 1393 C GLY A 91 -5.903 -0.835 -5.822 1.00 0.00 C ATOM 1394 O GLY A 91 -6.644 -1.812 -5.687 1.00 0.00 O ATOM 0 H GLY A 91 -3.656 -2.608 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.791 -0.625 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.779 -0.045 -7.471 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.133 0.312 -5.183 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.240 0.559 -4.261 1.00 0.00 C ATOM 1400 C ILE A 92 -8.578 0.334 -4.985 1.00 0.00 C ATOM 1401 O ILE A 92 -9.534 -0.193 -4.412 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.068 1.974 -3.639 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.462 2.045 -2.149 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.728 3.108 -4.447 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.903 1.650 -1.807 1.00 0.00 C ATOM 0 H ILE A 92 -5.529 1.126 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.238 -0.146 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.993 2.147 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.788 1.400 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.294 3.064 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.560 4.060 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.292 3.145 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.799 2.923 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.060 1.740 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.595 2.309 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.080 0.619 -2.114 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.653 0.681 -6.274 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.868 0.510 -7.072 1.00 0.00 C ATOM 1419 C ASP A 93 -10.177 -0.972 -7.319 1.00 0.00 C ATOM 1420 O ASP A 93 -11.289 -1.312 -7.733 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.807 1.355 -8.359 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.615 2.663 -8.264 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.932 3.130 -7.144 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -10.990 3.209 -9.331 1.00 0.00 O ATOM 0 H ASP A 93 -7.874 1.088 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.714 0.891 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.767 1.593 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.183 0.763 -9.193 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.220 -1.867 -7.056 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.336 -3.313 -7.187 1.00 0.00 C ATOM 1431 C GLY A 94 -9.582 -3.909 -5.798 1.00 0.00 C ATOM 1432 O GLY A 94 -10.397 -4.819 -5.657 1.00 0.00 O ATOM 0 H GLY A 94 -8.297 -1.582 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.156 -3.568 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.427 -3.728 -7.622 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.955 -3.340 -4.760 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.068 -3.728 -3.353 1.00 0.00 C ATOM 1438 C TRP A 95 -10.554 -3.765 -2.961 1.00 0.00 C ATOM 1439 O TRP A 95 -11.087 -4.775 -2.496 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.304 -2.702 -2.501 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.253 -2.993 -1.038 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.198 -2.681 -0.120 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.199 -3.677 -0.307 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.804 -3.144 1.119 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.600 -3.816 1.052 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.947 -4.203 -0.677 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.820 -4.513 1.986 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.153 -4.900 0.253 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.595 -5.065 1.579 1.00 0.00 C ATOM 0 H TRP A 95 -8.320 -2.552 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.641 -4.717 -3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.283 -2.633 -2.876 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.763 -1.724 -2.643 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.117 -2.152 -0.325 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.337 -3.007 1.978 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.591 -4.070 -1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.158 -4.624 3.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.201 -5.310 -0.052 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.991 -5.617 2.284 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.249 -2.646 -3.198 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.673 -2.496 -2.894 1.00 0.00 C ATOM 1462 C LYS A 96 -13.531 -3.429 -3.743 1.00 0.00 C ATOM 1463 O LYS A 96 -14.599 -3.839 -3.296 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.120 -1.059 -3.177 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.363 0.011 -2.372 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.673 1.426 -2.876 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.215 1.616 -4.330 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.453 2.979 -4.829 1.00 0.00 N ATOM 0 H LYS A 96 -10.832 -1.812 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.804 -2.745 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.993 -0.854 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.185 -0.973 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.633 -0.067 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.291 -0.173 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.744 1.613 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.177 2.158 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.152 1.387 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.739 0.904 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.883 3.140 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.461 3.094 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.184 3.668 -4.098 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.105 -3.738 -4.972 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.830 -4.626 -5.881 1.00 0.00 C ATOM 1484 C LYS A 97 -13.919 -6.003 -5.226 1.00 0.00 C ATOM 1485 O LYS A 97 -15.008 -6.566 -5.141 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.120 -4.653 -7.245 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.075 -4.786 -8.440 1.00 0.00 C ATOM 1488 CD LYS A 97 -13.229 -4.755 -9.718 1.00 0.00 C ATOM 1489 CE LYS A 97 -14.043 -4.592 -11.003 1.00 0.00 C ATOM 1490 NZ LYS A 97 -13.152 -4.583 -12.182 1.00 0.00 N ATOM 0 H LYS A 97 -12.238 -3.374 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.845 -4.274 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.537 -3.739 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.416 -5.485 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.639 -5.717 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.801 -3.973 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.514 -3.935 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.652 -5.677 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.763 -5.406 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.614 -3.664 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.720 -4.472 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.481 -3.792 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.626 -5.479 -12.227 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.794 -6.503 -4.698 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.713 -7.792 -4.013 1.00 0.00 C ATOM 1506 C ALA A 98 -13.585 -7.814 -2.745 1.00 0.00 C ATOM 1507 O ALA A 98 -13.912 -8.882 -2.232 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.250 -8.078 -3.650 1.00 0.00 C ATOM 0 H ALA A 98 -11.901 -6.011 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.089 -8.564 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.183 -9.038 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.649 -8.108 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.877 -7.291 -2.994 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.984 -6.646 -2.234 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.816 -6.512 -1.047 1.00 0.00 C ATOM 1516 C GLY A 99 -13.991 -6.421 0.228 1.00 0.00 C ATOM 1517 O GLY A 99 -14.524 -6.669 1.311 1.00 0.00 O ATOM 0 H GLY A 99 -13.729 -5.749 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.437 -5.621 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.491 -7.365 -0.981 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.684 -6.162 0.117 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.830 -6.040 1.289 1.00 0.00 C ATOM 1523 C LEU A 100 -12.249 -4.780 2.067 1.00 0.00 C ATOM 1524 O LEU A 100 -12.819 -3.853 1.482 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.355 -6.017 0.878 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.818 -7.353 0.332 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.351 -7.179 -0.067 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.943 -8.471 1.377 1.00 0.00 C ATOM 0 H LEU A 100 -12.201 -6.034 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.950 -6.904 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.215 -5.248 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.756 -5.726 1.741 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.411 -7.637 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.965 -8.122 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.272 -6.411 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.770 -6.880 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.556 -9.402 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.371 -8.204 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.991 -8.602 1.646 1.00 0.00 H new ATOM 1540 N PRO A 101 -11.981 -4.724 3.381 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.357 -3.595 4.219 1.00 0.00 C ATOM 1542 C PRO A 101 -11.599 -2.314 3.870 1.00 0.00 C ATOM 1543 O PRO A 101 -10.524 -2.330 3.262 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.100 -4.058 5.657 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.010 -5.113 5.516 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.311 -5.750 4.163 1.00 0.00 C ATOM 0 HA PRO A 101 -13.402 -3.323 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.776 -3.232 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.001 -4.473 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.015 -4.669 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.051 -5.844 6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.394 -6.078 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.944 -6.630 4.277 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.173 -1.187 4.285 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.640 0.150 4.081 1.00 0.00 C ATOM 1556 C VAL A 102 -11.872 0.975 5.345 1.00 0.00 C ATOM 1557 O VAL A 102 -12.660 0.621 6.224 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.249 0.846 2.838 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.441 0.565 1.568 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.730 0.527 2.598 1.00 0.00 C ATOM 0 H VAL A 102 -13.058 -1.185 4.793 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.571 0.068 3.887 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.192 1.909 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.905 1.073 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.422 0.930 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.420 -0.508 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.076 1.054 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.852 -0.546 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.315 0.846 3.460 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.143 2.078 5.439 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.145 3.061 6.497 1.00 0.00 C ATOM 1572 C ALA A 103 -11.914 4.272 5.983 1.00 0.00 C ATOM 1573 O ALA A 103 -11.360 5.361 5.828 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.700 3.376 6.888 1.00 0.00 C ATOM 0 H ALA A 103 -10.477 2.323 4.707 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.636 2.705 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.693 4.118 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.210 2.466 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.166 3.769 6.023 1.00 0.00 H new