USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 766 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 44 GLN : amide:sc= 0.466 K(o=1,f=-1.9!) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0.548 USER MOD Set 2.1: A 4 THR OG1 : rot 131:sc= 1.52 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.985 USER MOD Single : A 8 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.044) USER MOD Single : A 11 SER OG : rot 70:sc= 0.39 USER MOD Single : A 12 THR OG1 : rot -13:sc= 0.806 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.914) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0875 X(o=-0.088,f=-0.093) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -166:sc= -0.232 (180deg=-0.485) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.00976 USER MOD Single : A 65 TYR OH : rot 177:sc= 0.829 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 70 THR OG1 : rot 88:sc= 0.117 USER MOD Single : A 72 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.2) USER MOD Single : A 78 ASN : amide:sc= -0.0856 K(o=-0.086,f=-1.2) USER MOD Single : A 79 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.26) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.290 -0.097 -0.298 1.00 0.00 N ATOM 2 CA THR A 4 1.726 0.002 -0.526 1.00 0.00 C ATOM 3 C THR A 4 2.225 1.422 -0.289 1.00 0.00 C ATOM 4 O THR A 4 1.456 2.380 -0.363 1.00 0.00 O ATOM 5 CB THR A 4 2.104 -0.432 -1.954 1.00 0.00 C ATOM 6 OG1 THR A 4 1.559 0.499 -2.899 1.00 0.00 O ATOM 7 CG2 THR A 4 1.564 -1.823 -2.249 1.00 0.00 C ATOM 0 HA THR A 4 2.203 -0.671 0.186 1.00 0.00 H new ATOM 0 HB THR A 4 3.191 -0.450 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.257 0.769 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.841 -2.113 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.986 -2.535 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.478 -1.819 -2.157 1.00 0.00 H new ATOM 15 N PRO A 5 3.516 1.551 -0.004 1.00 0.00 N ATOM 16 CA PRO A 5 4.142 2.859 0.142 1.00 0.00 C ATOM 17 C PRO A 5 4.102 3.637 -1.167 1.00 0.00 C ATOM 18 O PRO A 5 4.135 4.868 -1.170 1.00 0.00 O ATOM 19 CB PRO A 5 5.574 2.543 0.582 1.00 0.00 C ATOM 20 CG PRO A 5 5.821 1.161 0.079 1.00 0.00 C ATOM 21 CD PRO A 5 4.497 0.452 0.195 1.00 0.00 C ATOM 0 HA PRO A 5 3.628 3.495 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.285 3.253 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.677 2.596 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.170 1.175 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.589 0.659 0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.389 -0.328 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.378 -0.025 1.168 1.00 0.00 H new ATOM 29 N SER A 6 4.032 2.913 -2.278 1.00 0.00 N ATOM 30 CA SER A 6 3.928 3.535 -3.593 1.00 0.00 C ATOM 31 C SER A 6 2.533 4.099 -3.826 1.00 0.00 C ATOM 32 O SER A 6 2.367 5.105 -4.515 1.00 0.00 O ATOM 33 CB SER A 6 4.280 2.532 -4.674 1.00 0.00 C ATOM 34 OG SER A 6 3.323 1.515 -4.780 1.00 0.00 O ATOM 0 H SER A 6 4.045 1.893 -2.295 1.00 0.00 H new ATOM 0 HA SER A 6 4.635 4.363 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.369 3.047 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.253 2.092 -4.457 1.00 0.00 H new ATOM 0 HG SER A 6 3.586 0.891 -5.488 1.00 0.00 H new ATOM 40 N ASP A 7 1.531 3.446 -3.248 1.00 0.00 N ATOM 41 CA ASP A 7 0.175 3.980 -3.233 1.00 0.00 C ATOM 42 C ASP A 7 0.072 5.196 -2.321 1.00 0.00 C ATOM 43 O ASP A 7 -0.618 6.165 -2.639 1.00 0.00 O ATOM 44 CB ASP A 7 -0.821 2.904 -2.790 1.00 0.00 C ATOM 45 CG ASP A 7 -1.093 1.831 -3.834 1.00 0.00 C ATOM 46 OD1 ASP A 7 -0.733 2.029 -4.970 1.00 0.00 O ATOM 47 OD2 ASP A 7 -1.514 0.761 -3.462 1.00 0.00 O ATOM 0 H ASP A 7 1.633 2.544 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.071 4.293 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.443 2.427 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.763 3.385 -2.527 1.00 0.00 H new ATOM 52 N HIS A 8 0.761 5.138 -1.187 1.00 0.00 N ATOM 53 CA HIS A 8 0.811 6.265 -0.263 1.00 0.00 C ATOM 54 C HIS A 8 1.450 7.485 -0.916 1.00 0.00 C ATOM 55 O HIS A 8 0.997 8.613 -0.723 1.00 0.00 O ATOM 56 CB HIS A 8 1.579 5.889 1.008 1.00 0.00 C ATOM 57 CG HIS A 8 0.863 4.898 1.873 1.00 0.00 C ATOM 58 ND1 HIS A 8 1.478 4.248 2.922 1.00 0.00 N ATOM 59 CD2 HIS A 8 -0.412 4.448 1.844 1.00 0.00 C ATOM 60 CE1 HIS A 8 0.608 3.439 3.503 1.00 0.00 C ATOM 61 NE2 HIS A 8 -0.545 3.541 2.867 1.00 0.00 N ATOM 0 H HIS A 8 1.293 4.322 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.215 6.517 0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.549 5.479 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.770 6.792 1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.181 4.746 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.807 2.803 4.353 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.396 3.029 3.098 1.00 0.00 H new ATOM 69 N LEU A 9 2.505 7.251 -1.689 1.00 0.00 N ATOM 70 CA LEU A 9 3.152 8.316 -2.446 1.00 0.00 C ATOM 71 C LEU A 9 2.245 8.831 -3.556 1.00 0.00 C ATOM 72 O LEU A 9 2.078 10.039 -3.724 1.00 0.00 O ATOM 73 CB LEU A 9 4.481 7.821 -3.028 1.00 0.00 C ATOM 74 CG LEU A 9 5.591 7.568 -2.000 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.758 6.846 -2.659 1.00 0.00 C ATOM 76 CD2 LEU A 9 6.043 8.892 -1.403 1.00 0.00 C ATOM 0 H LEU A 9 2.931 6.332 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 9 3.351 9.143 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.297 6.897 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.838 8.554 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 9 5.208 6.936 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.541 6.671 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.416 5.891 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.154 7.458 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.832 8.711 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.423 9.537 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.199 9.377 -0.913 1.00 0.00 H new ATOM 88 N LEU A 10 1.661 7.908 -4.312 1.00 0.00 N ATOM 89 CA LEU A 10 0.760 8.266 -5.401 1.00 0.00 C ATOM 90 C LEU A 10 -0.323 9.227 -4.927 1.00 0.00 C ATOM 91 O LEU A 10 -0.647 10.199 -5.609 1.00 0.00 O ATOM 92 CB LEU A 10 0.128 7.004 -6.003 1.00 0.00 C ATOM 93 CG LEU A 10 -0.585 7.209 -7.346 1.00 0.00 C ATOM 94 CD1 LEU A 10 -0.832 5.864 -8.016 1.00 0.00 C ATOM 95 CD2 LEU A 10 -1.896 7.948 -7.119 1.00 0.00 C ATOM 0 H LEU A 10 1.796 6.904 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 10 1.344 8.771 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.908 6.254 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.588 6.599 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 10 0.045 7.808 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.339 6.020 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.121 5.363 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.455 5.245 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.402 8.093 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.533 7.363 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.693 8.918 -6.665 1.00 0.00 H new ATOM 107 N SER A 11 -0.880 8.949 -3.753 1.00 0.00 N ATOM 108 CA SER A 11 -1.955 9.766 -3.203 1.00 0.00 C ATOM 109 C SER A 11 -1.538 11.227 -3.097 1.00 0.00 C ATOM 110 O SER A 11 -2.330 12.130 -3.368 1.00 0.00 O ATOM 111 CB SER A 11 -2.370 9.236 -1.844 1.00 0.00 C ATOM 112 OG SER A 11 -2.951 7.963 -1.930 1.00 0.00 O ATOM 0 H SER A 11 -0.604 8.163 -3.164 1.00 0.00 H new ATOM 0 HA SER A 11 -2.806 9.709 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.499 9.193 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.078 9.927 -1.386 1.00 0.00 H new ATOM 0 HG SER A 11 -2.263 7.304 -2.160 1.00 0.00 H new ATOM 118 N THR A 12 -0.289 11.454 -2.703 1.00 0.00 N ATOM 119 CA THR A 12 0.200 12.803 -2.449 1.00 0.00 C ATOM 120 C THR A 12 0.784 13.425 -3.711 1.00 0.00 C ATOM 121 O THR A 12 0.852 14.648 -3.838 1.00 0.00 O ATOM 122 CB THR A 12 1.270 12.817 -1.341 1.00 0.00 C ATOM 123 OG1 THR A 12 2.395 12.027 -1.749 1.00 0.00 O ATOM 124 CG2 THR A 12 0.704 12.256 -0.046 1.00 0.00 C ATOM 0 H THR A 12 0.403 10.720 -2.553 1.00 0.00 H new ATOM 0 HA THR A 12 -0.658 13.390 -2.122 1.00 0.00 H new ATOM 0 HB THR A 12 1.583 13.847 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.151 11.490 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.474 12.274 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.144 12.862 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.375 11.229 -0.207 1.00 0.00 H new ATOM 132 N LEU A 13 1.202 12.575 -4.643 1.00 0.00 N ATOM 133 CA LEU A 13 1.770 13.040 -5.903 1.00 0.00 C ATOM 134 C LEU A 13 0.679 13.338 -6.923 1.00 0.00 C ATOM 135 O LEU A 13 0.897 14.079 -7.881 1.00 0.00 O ATOM 136 CB LEU A 13 2.751 11.999 -6.458 1.00 0.00 C ATOM 137 CG LEU A 13 3.991 11.744 -5.593 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.843 10.646 -6.215 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.788 13.033 -5.456 1.00 0.00 C ATOM 0 H LEU A 13 1.158 11.560 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 13 2.309 13.967 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.220 11.056 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.077 12.322 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 13 3.682 11.415 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.722 10.471 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.259 9.728 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.159 10.951 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.670 12.852 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.098 13.376 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.168 13.796 -4.985 1.00 0.00 H new ATOM 151 N GLU A 14 -0.496 12.754 -6.712 1.00 0.00 N ATOM 152 CA GLU A 14 -1.651 13.031 -7.557 1.00 0.00 C ATOM 153 C GLU A 14 -2.227 14.412 -7.268 1.00 0.00 C ATOM 154 O GLU A 14 -2.791 15.057 -8.151 1.00 0.00 O ATOM 155 CB GLU A 14 -2.728 11.961 -7.359 1.00 0.00 C ATOM 156 CG GLU A 14 -3.948 12.125 -8.255 1.00 0.00 C ATOM 157 CD GLU A 14 -4.917 10.990 -8.070 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.646 10.128 -7.269 1.00 0.00 O ATOM 159 OE2 GLU A 14 -5.980 11.043 -8.644 1.00 0.00 O ATOM 0 H GLU A 14 -0.673 12.085 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.317 13.011 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.287 10.981 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.052 11.976 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.443 13.069 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.633 12.171 -9.297 1.00 0.00 H new ATOM 166 N GLU A 15 -2.079 14.861 -6.026 1.00 0.00 N ATOM 167 CA GLU A 15 -2.628 16.144 -5.605 1.00 0.00 C ATOM 168 C GLU A 15 -1.800 17.301 -6.147 1.00 0.00 C ATOM 169 O GLU A 15 -2.269 18.438 -6.209 1.00 0.00 O ATOM 170 CB GLU A 15 -2.702 16.221 -4.079 1.00 0.00 C ATOM 171 CG GLU A 15 -3.724 15.284 -3.451 1.00 0.00 C ATOM 172 CD GLU A 15 -5.120 15.621 -3.896 1.00 0.00 C ATOM 173 OE1 GLU A 15 -5.524 16.744 -3.720 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.742 14.788 -4.514 1.00 0.00 O ATOM 0 H GLU A 15 -1.583 14.354 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.636 16.225 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.718 15.994 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.940 17.245 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.492 14.254 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.661 15.349 -2.365 1.00 0.00 H new ATOM 181 N LEU A 16 -0.565 17.006 -6.540 1.00 0.00 N ATOM 182 CA LEU A 16 0.311 18.009 -7.133 1.00 0.00 C ATOM 183 C LEU A 16 -0.254 18.526 -8.450 1.00 0.00 C ATOM 184 O LEU A 16 -0.623 17.744 -9.327 1.00 0.00 O ATOM 185 CB LEU A 16 1.714 17.427 -7.347 1.00 0.00 C ATOM 186 CG LEU A 16 2.521 17.184 -6.064 1.00 0.00 C ATOM 187 CD1 LEU A 16 3.812 16.446 -6.393 1.00 0.00 C ATOM 188 CD2 LEU A 16 2.818 18.514 -5.389 1.00 0.00 C ATOM 0 H LEU A 16 -0.148 16.079 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 16 0.377 18.850 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.621 16.483 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.277 18.104 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 16 1.939 16.567 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.378 16.278 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.576 15.487 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.407 17.044 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.391 18.340 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.395 19.145 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.881 19.012 -5.139 1.00 0.00 H new ATOM 200 N VAL A 17 -0.321 19.846 -8.583 1.00 0.00 N ATOM 201 CA VAL A 17 -0.695 20.471 -9.845 1.00 0.00 C ATOM 202 C VAL A 17 0.492 20.545 -10.798 1.00 0.00 C ATOM 203 O VAL A 17 1.641 20.385 -10.386 1.00 0.00 O ATOM 204 CB VAL A 17 -1.255 21.890 -9.629 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.475 21.848 -8.720 1.00 0.00 C ATOM 206 CG2 VAL A 17 -0.187 22.801 -9.044 1.00 0.00 C ATOM 0 H VAL A 17 -0.121 20.505 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.472 19.846 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.558 22.292 -10.596 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.858 22.859 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.247 21.228 -9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.195 21.427 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.600 23.799 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.146 22.403 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.660 22.855 -9.728 1.00 0.00 H new ATOM 216 N PRO A 18 0.206 20.786 -12.072 1.00 0.00 N ATOM 217 CA PRO A 18 1.235 20.758 -13.106 1.00 0.00 C ATOM 218 C PRO A 18 2.424 21.629 -12.724 1.00 0.00 C ATOM 219 O PRO A 18 3.575 21.266 -12.966 1.00 0.00 O ATOM 220 CB PRO A 18 0.520 21.275 -14.358 1.00 0.00 C ATOM 221 CG PRO A 18 -0.892 20.829 -14.191 1.00 0.00 C ATOM 222 CD PRO A 18 -1.173 20.936 -12.717 1.00 0.00 C ATOM 0 HA PRO A 18 1.654 19.763 -13.258 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.587 22.360 -14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.962 20.864 -15.266 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.573 21.456 -14.767 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.025 19.806 -14.543 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.631 21.893 -12.465 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.858 20.157 -12.383 1.00 0.00 H new ATOM 230 N TYR A 19 2.139 22.781 -12.126 1.00 0.00 N ATOM 231 CA TYR A 19 3.185 23.714 -11.723 1.00 0.00 C ATOM 232 C TYR A 19 4.032 23.138 -10.595 1.00 0.00 C ATOM 233 O TYR A 19 5.255 23.045 -10.710 1.00 0.00 O ATOM 234 CB TYR A 19 2.574 25.048 -11.291 1.00 0.00 C ATOM 235 CG TYR A 19 3.590 26.064 -10.820 1.00 0.00 C ATOM 236 CD1 TYR A 19 4.351 26.787 -11.728 1.00 0.00 C ATOM 237 CD2 TYR A 19 3.786 26.300 -9.466 1.00 0.00 C ATOM 238 CE1 TYR A 19 5.281 27.715 -11.304 1.00 0.00 C ATOM 239 CE2 TYR A 19 4.714 27.227 -9.030 1.00 0.00 C ATOM 240 CZ TYR A 19 5.460 27.932 -9.952 1.00 0.00 C ATOM 241 OH TYR A 19 6.383 28.857 -9.523 1.00 0.00 O ATOM 0 H TYR A 19 1.192 23.091 -11.910 1.00 0.00 H new ATOM 0 HA TYR A 19 3.832 23.882 -12.584 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.015 25.468 -12.127 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.858 24.866 -10.489 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.213 26.620 -12.786 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.204 25.750 -8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.865 28.268 -12.025 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.854 27.399 -7.973 1.00 0.00 H new ATOM 0 HH TYR A 19 6.384 28.888 -8.544 1.00 0.00 H new ATOM 251 N ASP A 20 3.376 22.752 -9.507 1.00 0.00 N ATOM 252 CA ASP A 20 4.071 22.220 -8.341 1.00 0.00 C ATOM 253 C ASP A 20 4.758 20.899 -8.665 1.00 0.00 C ATOM 254 O ASP A 20 5.799 20.573 -8.094 1.00 0.00 O ATOM 255 CB ASP A 20 3.099 22.035 -7.174 1.00 0.00 C ATOM 256 CG ASP A 20 2.670 23.331 -6.500 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.293 24.338 -6.742 1.00 0.00 O ATOM 258 OD2 ASP A 20 1.635 23.340 -5.877 1.00 0.00 O ATOM 0 H ASP A 20 2.362 22.798 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 20 4.836 22.941 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.211 21.517 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.564 21.389 -6.429 1.00 0.00 H new ATOM 263 N PHE A 21 4.169 20.141 -9.583 1.00 0.00 N ATOM 264 CA PHE A 21 4.744 18.873 -10.014 1.00 0.00 C ATOM 265 C PHE A 21 6.003 19.094 -10.843 1.00 0.00 C ATOM 266 O PHE A 21 6.985 18.363 -10.706 1.00 0.00 O ATOM 267 CB PHE A 21 3.721 18.067 -10.816 1.00 0.00 C ATOM 268 CG PHE A 21 4.245 16.753 -11.321 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.494 15.707 -10.445 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.493 16.561 -12.672 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.977 14.497 -10.909 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.974 15.353 -13.138 1.00 0.00 C ATOM 273 CZ PHE A 21 5.217 14.320 -12.254 1.00 0.00 C ATOM 0 H PHE A 21 3.292 20.384 -10.044 1.00 0.00 H new ATOM 0 HA PHE A 21 5.018 18.310 -9.122 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.847 17.883 -10.191 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.386 18.664 -11.664 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.309 15.839 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.308 17.366 -13.368 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.166 13.690 -10.216 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.160 15.216 -14.193 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.594 13.375 -12.616 1.00 0.00 H new ATOM 283 N GLU A 22 5.969 20.106 -11.704 1.00 0.00 N ATOM 284 CA GLU A 22 7.145 20.500 -12.470 1.00 0.00 C ATOM 285 C GLU A 22 8.301 20.873 -11.550 1.00 0.00 C ATOM 286 O GLU A 22 9.454 20.539 -11.821 1.00 0.00 O ATOM 287 CB GLU A 22 6.813 21.670 -13.398 1.00 0.00 C ATOM 288 CG GLU A 22 7.967 22.118 -14.283 1.00 0.00 C ATOM 289 CD GLU A 22 7.542 23.213 -15.222 1.00 0.00 C ATOM 290 OE1 GLU A 22 6.394 23.587 -15.188 1.00 0.00 O ATOM 291 OE2 GLU A 22 8.389 23.754 -15.893 1.00 0.00 O ATOM 0 H GLU A 22 5.138 20.669 -11.889 1.00 0.00 H new ATOM 0 HA GLU A 22 7.451 19.646 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.973 21.387 -14.033 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.485 22.516 -12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.790 22.469 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.340 21.269 -14.856 1.00 0.00 H new ATOM 298 N LYS A 23 7.985 21.568 -10.463 1.00 0.00 N ATOM 299 CA LYS A 23 8.994 21.964 -9.487 1.00 0.00 C ATOM 300 C LYS A 23 9.377 20.796 -8.587 1.00 0.00 C ATOM 301 O LYS A 23 10.509 20.715 -8.109 1.00 0.00 O ATOM 302 CB LYS A 23 8.490 23.136 -8.643 1.00 0.00 C ATOM 303 CG LYS A 23 8.131 24.379 -9.443 1.00 0.00 C ATOM 304 CD LYS A 23 9.334 24.913 -10.206 1.00 0.00 C ATOM 305 CE LYS A 23 8.980 26.166 -10.995 1.00 0.00 C ATOM 306 NZ LYS A 23 10.152 26.710 -11.731 1.00 0.00 N ATOM 0 H LYS A 23 7.037 21.869 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 23 9.883 22.278 -10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.612 22.813 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.256 23.398 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.329 24.144 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.753 25.150 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.140 25.137 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.705 24.146 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.183 25.936 -11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.594 26.926 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.868 27.562 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.904 26.954 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.505 25.995 -12.399 1.00 0.00 H new ATOM 320 N PHE A 24 8.430 19.893 -8.361 1.00 0.00 N ATOM 321 CA PHE A 24 8.717 18.636 -7.680 1.00 0.00 C ATOM 322 C PHE A 24 9.730 17.806 -8.459 1.00 0.00 C ATOM 323 O PHE A 24 10.700 17.305 -7.892 1.00 0.00 O ATOM 324 CB PHE A 24 7.429 17.836 -7.473 1.00 0.00 C ATOM 325 CG PHE A 24 7.634 16.535 -6.749 1.00 0.00 C ATOM 326 CD1 PHE A 24 7.562 16.475 -5.366 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.900 15.369 -7.451 1.00 0.00 C ATOM 328 CE1 PHE A 24 7.752 15.279 -4.699 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.088 14.172 -6.788 1.00 0.00 C ATOM 330 CZ PHE A 24 8.014 14.127 -5.410 1.00 0.00 C ATOM 0 H PHE A 24 7.456 20.008 -8.640 1.00 0.00 H new ATOM 0 HA PHE A 24 9.148 18.873 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.720 18.445 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.978 17.634 -8.444 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.355 17.373 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.961 15.397 -8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.695 15.247 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.293 13.271 -7.347 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.161 13.192 -4.890 1.00 0.00 H new ATOM 340 N LYS A 25 9.497 17.666 -9.759 1.00 0.00 N ATOM 341 CA LYS A 25 10.437 16.976 -10.634 1.00 0.00 C ATOM 342 C LYS A 25 11.830 17.585 -10.538 1.00 0.00 C ATOM 343 O LYS A 25 12.814 16.876 -10.334 1.00 0.00 O ATOM 344 CB LYS A 25 9.946 17.013 -12.083 1.00 0.00 C ATOM 345 CG LYS A 25 10.826 16.253 -13.065 1.00 0.00 C ATOM 346 CD LYS A 25 10.476 16.599 -14.505 1.00 0.00 C ATOM 347 CE LYS A 25 9.024 16.267 -14.817 1.00 0.00 C ATOM 348 NZ LYS A 25 8.740 16.330 -16.277 1.00 0.00 N ATOM 0 H LYS A 25 8.665 18.021 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 25 10.496 15.938 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.938 16.600 -12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.878 18.052 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.873 16.490 -12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.708 15.181 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.654 17.660 -14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.130 16.050 -15.182 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.792 15.269 -14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.371 16.963 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.713 16.385 -16.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.196 17.172 -16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.113 15.477 -16.740 1.00 0.00 H new ATOM 362 N PHE A 26 11.905 18.903 -10.686 1.00 0.00 N ATOM 363 CA PHE A 26 13.180 19.609 -10.633 1.00 0.00 C ATOM 364 C PHE A 26 13.932 19.290 -9.348 1.00 0.00 C ATOM 365 O PHE A 26 15.129 19.002 -9.373 1.00 0.00 O ATOM 366 CB PHE A 26 12.960 21.118 -10.753 1.00 0.00 C ATOM 367 CG PHE A 26 14.225 21.923 -10.655 1.00 0.00 C ATOM 368 CD1 PHE A 26 15.071 22.045 -11.747 1.00 0.00 C ATOM 369 CD2 PHE A 26 14.569 22.560 -9.472 1.00 0.00 C ATOM 370 CE1 PHE A 26 16.236 22.786 -11.658 1.00 0.00 C ATOM 371 CE2 PHE A 26 15.731 23.302 -9.382 1.00 0.00 C ATOM 372 CZ PHE A 26 16.565 23.415 -10.476 1.00 0.00 C ATOM 0 H PHE A 26 11.097 19.505 -10.844 1.00 0.00 H new ATOM 0 HA PHE A 26 13.785 19.271 -11.474 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.477 21.331 -11.707 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.274 21.440 -9.970 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.818 21.557 -12.676 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.922 22.475 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.888 22.872 -12.515 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.987 23.794 -8.455 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.473 23.995 -10.406 1.00 0.00 H new ATOM 382 N LYS A 27 13.225 19.340 -8.224 1.00 0.00 N ATOM 383 CA LYS A 27 13.841 19.135 -6.919 1.00 0.00 C ATOM 384 C LYS A 27 14.036 17.652 -6.630 1.00 0.00 C ATOM 385 O LYS A 27 14.873 17.275 -5.808 1.00 0.00 O ATOM 386 CB LYS A 27 12.997 19.779 -5.820 1.00 0.00 C ATOM 387 CG LYS A 27 12.949 21.301 -5.873 1.00 0.00 C ATOM 388 CD LYS A 27 14.331 21.905 -5.673 1.00 0.00 C ATOM 389 CE LYS A 27 14.266 23.423 -5.593 1.00 0.00 C ATOM 390 NZ LYS A 27 15.611 24.027 -5.386 1.00 0.00 N ATOM 0 H LYS A 27 12.222 19.521 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 27 14.821 19.611 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.980 19.393 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.391 19.474 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.546 21.621 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.272 21.673 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.774 21.509 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.982 21.610 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.829 23.816 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.607 23.715 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.523 25.062 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.018 23.672 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.233 23.770 -6.179 1.00 0.00 H new ATOM 404 N LEU A 28 13.260 16.815 -7.309 1.00 0.00 N ATOM 405 CA LEU A 28 13.403 15.369 -7.190 1.00 0.00 C ATOM 406 C LEU A 28 14.735 14.898 -7.763 1.00 0.00 C ATOM 407 O LEU A 28 15.341 13.955 -7.256 1.00 0.00 O ATOM 408 CB LEU A 28 12.239 14.660 -7.892 1.00 0.00 C ATOM 409 CG LEU A 28 12.199 13.137 -7.715 1.00 0.00 C ATOM 410 CD1 LEU A 28 12.006 12.788 -6.246 1.00 0.00 C ATOM 411 CD2 LEU A 28 11.074 12.556 -8.560 1.00 0.00 C ATOM 0 H LEU A 28 12.524 17.114 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 28 13.384 15.114 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.303 15.077 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.287 14.885 -8.958 1.00 0.00 H new ATOM 0 HG LEU A 28 13.144 12.707 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.979 11.705 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.833 13.195 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.068 13.215 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.046 11.474 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.123 12.983 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.247 12.795 -9.609 1.00 0.00 H new ATOM 423 N GLN A 29 15.183 15.561 -8.824 1.00 0.00 N ATOM 424 CA GLN A 29 16.487 15.276 -9.409 1.00 0.00 C ATOM 425 C GLN A 29 17.613 15.810 -8.535 1.00 0.00 C ATOM 426 O GLN A 29 18.725 15.281 -8.543 1.00 0.00 O ATOM 427 CB GLN A 29 16.590 15.884 -10.812 1.00 0.00 C ATOM 428 CG GLN A 29 15.691 15.223 -11.843 1.00 0.00 C ATOM 429 CD GLN A 29 15.757 15.912 -13.193 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.469 16.905 -13.365 1.00 0.00 O ATOM 431 NE2 GLN A 29 15.011 15.389 -14.159 1.00 0.00 N ATOM 0 H GLN A 29 14.662 16.300 -9.296 1.00 0.00 H new ATOM 0 HA GLN A 29 16.588 14.193 -9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.342 16.944 -10.756 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.624 15.816 -11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.980 14.178 -11.957 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.662 15.232 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.437 14.567 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.012 15.809 -15.088 1.00 0.00 H new ATOM 440 N ASN A 30 17.320 16.863 -7.779 1.00 0.00 N ATOM 441 CA ASN A 30 18.333 17.534 -6.972 1.00 0.00 C ATOM 442 C ASN A 30 18.230 17.127 -5.508 1.00 0.00 C ATOM 443 O ASN A 30 18.966 17.631 -4.660 1.00 0.00 O ATOM 444 CB ASN A 30 18.239 19.043 -7.106 1.00 0.00 C ATOM 445 CG ASN A 30 18.628 19.556 -8.464 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.437 18.945 -9.172 1.00 0.00 O ATOM 447 ND2 ASN A 30 18.121 20.715 -8.796 1.00 0.00 N ATOM 0 H ASN A 30 16.388 17.271 -7.708 1.00 0.00 H new ATOM 0 HA ASN A 30 19.306 17.219 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.217 19.355 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.880 19.506 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.390 21.156 -9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.457 21.178 -8.176 1.00 0.00 H new ATOM 454 N THR A 31 17.312 16.211 -5.217 1.00 0.00 N ATOM 455 CA THR A 31 17.099 15.748 -3.851 1.00 0.00 C ATOM 456 C THR A 31 18.308 14.977 -3.337 1.00 0.00 C ATOM 457 O THR A 31 19.025 14.340 -4.109 1.00 0.00 O ATOM 458 CB THR A 31 15.851 14.852 -3.747 1.00 0.00 C ATOM 459 OG1 THR A 31 15.438 14.761 -2.377 1.00 0.00 O ATOM 460 CG2 THR A 31 16.149 13.457 -4.276 1.00 0.00 C ATOM 0 H THR A 31 16.703 15.775 -5.910 1.00 0.00 H new ATOM 0 HA THR A 31 16.950 16.637 -3.238 1.00 0.00 H new ATOM 0 HB THR A 31 15.055 15.294 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.643 14.192 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.255 12.838 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.452 13.521 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.954 13.011 -3.692 1.00 0.00 H new ATOM 468 N SER A 32 18.529 15.039 -2.028 1.00 0.00 N ATOM 469 CA SER A 32 19.549 14.220 -1.384 1.00 0.00 C ATOM 470 C SER A 32 19.163 12.746 -1.403 1.00 0.00 C ATOM 471 O SER A 32 18.051 12.381 -1.023 1.00 0.00 O ATOM 472 CB SER A 32 19.772 14.688 0.040 1.00 0.00 C ATOM 473 OG SER A 32 20.701 13.888 0.719 1.00 0.00 O ATOM 0 H SER A 32 18.015 15.649 -1.392 1.00 0.00 H new ATOM 0 HA SER A 32 20.478 14.332 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.121 15.720 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 32 18.824 14.677 0.577 1.00 0.00 H new ATOM 0 HG SER A 32 20.817 14.225 1.632 1.00 0.00 H new ATOM 479 N VAL A 33 20.089 11.903 -1.847 1.00 0.00 N ATOM 480 CA VAL A 33 19.830 10.472 -1.963 1.00 0.00 C ATOM 481 C VAL A 33 20.869 9.662 -1.200 1.00 0.00 C ATOM 482 O VAL A 33 21.918 10.181 -0.817 1.00 0.00 O ATOM 483 CB VAL A 33 19.817 10.017 -3.434 1.00 0.00 C ATOM 484 CG1 VAL A 33 18.701 10.715 -4.197 1.00 0.00 C ATOM 485 CG2 VAL A 33 21.163 10.294 -4.090 1.00 0.00 C ATOM 0 H VAL A 33 21.026 12.186 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 33 18.846 10.295 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 33 19.635 8.943 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.706 10.382 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.741 10.470 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.855 11.793 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.136 9.966 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.373 11.363 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.945 9.752 -3.559 1.00 0.00 H new ATOM 495 N GLN A 34 20.573 8.385 -0.982 1.00 0.00 N ATOM 496 CA GLN A 34 21.459 7.512 -0.221 1.00 0.00 C ATOM 497 C GLN A 34 22.540 6.913 -1.111 1.00 0.00 C ATOM 498 O GLN A 34 22.400 6.873 -2.333 1.00 0.00 O ATOM 499 CB GLN A 34 20.661 6.389 0.448 1.00 0.00 C ATOM 500 CG GLN A 34 19.598 6.874 1.419 1.00 0.00 C ATOM 501 CD GLN A 34 20.183 7.676 2.565 1.00 0.00 C ATOM 502 OE1 GLN A 34 21.110 7.227 3.246 1.00 0.00 O ATOM 503 NE2 GLN A 34 19.643 8.869 2.788 1.00 0.00 N ATOM 0 H GLN A 34 19.725 7.931 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 34 21.940 8.118 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 34 20.183 5.787 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 34 21.352 5.735 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.873 7.487 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 34 19.057 6.016 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 34 18.878 9.201 2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 34 19.993 9.454 3.547 1.00 0.00 H new ATOM 512 N LYS A 35 23.620 6.449 -0.492 1.00 0.00 N ATOM 513 CA LYS A 35 24.748 5.895 -1.230 1.00 0.00 C ATOM 514 C LYS A 35 24.639 4.380 -1.348 1.00 0.00 C ATOM 515 O LYS A 35 25.464 3.738 -1.999 1.00 0.00 O ATOM 516 CB LYS A 35 26.069 6.276 -0.557 1.00 0.00 C ATOM 517 CG LYS A 35 26.365 7.770 -0.557 1.00 0.00 C ATOM 518 CD LYS A 35 27.685 8.071 0.140 1.00 0.00 C ATOM 519 CE LYS A 35 27.967 9.566 0.168 1.00 0.00 C ATOM 520 NZ LYS A 35 29.273 9.873 0.812 1.00 0.00 N ATOM 0 H LYS A 35 23.738 6.446 0.521 1.00 0.00 H new ATOM 0 HA LYS A 35 24.728 6.318 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.054 5.921 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.883 5.756 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.401 8.136 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 35 25.557 8.303 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 35 27.657 7.685 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 35 28.496 7.555 -0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 35 27.964 9.955 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 35 27.168 10.076 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 29.427 10.901 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 29.267 9.525 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 30.038 9.408 0.284 1.00 0.00 H new ATOM 534 N GLU A 36 23.618 3.814 -0.715 1.00 0.00 N ATOM 535 CA GLU A 36 23.409 2.372 -0.732 1.00 0.00 C ATOM 536 C GLU A 36 22.764 1.924 -2.037 1.00 0.00 C ATOM 537 O GLU A 36 22.862 0.759 -2.422 1.00 0.00 O ATOM 538 CB GLU A 36 22.546 1.941 0.456 1.00 0.00 C ATOM 539 CG GLU A 36 23.210 2.117 1.814 1.00 0.00 C ATOM 540 CD GLU A 36 22.299 1.686 2.928 1.00 0.00 C ATOM 541 OE1 GLU A 36 21.203 1.268 2.645 1.00 0.00 O ATOM 542 OE2 GLU A 36 22.738 1.668 4.054 1.00 0.00 O ATOM 0 H GLU A 36 22.920 4.334 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 36 24.385 1.893 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.619 2.514 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.275 0.893 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.131 1.535 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 23.488 3.162 1.952 1.00 0.00 H new ATOM 549 N HIS A 37 22.106 2.858 -2.717 1.00 0.00 N ATOM 550 CA HIS A 37 21.394 2.547 -3.950 1.00 0.00 C ATOM 551 C HIS A 37 21.767 3.521 -5.062 1.00 0.00 C ATOM 552 O HIS A 37 22.148 4.661 -4.798 1.00 0.00 O ATOM 553 CB HIS A 37 19.879 2.572 -3.722 1.00 0.00 C ATOM 554 CG HIS A 37 19.391 1.494 -2.804 1.00 0.00 C ATOM 555 ND1 HIS A 37 19.454 1.602 -1.431 1.00 0.00 N ATOM 556 CD2 HIS A 37 18.835 0.287 -3.063 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.956 0.506 -0.883 1.00 0.00 C ATOM 558 NE2 HIS A 37 18.574 -0.306 -1.852 1.00 0.00 N ATOM 0 H HIS A 37 22.052 3.836 -2.434 1.00 0.00 H new ATOM 0 HA HIS A 37 21.689 1.544 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 37 19.598 3.542 -3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.374 2.475 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 37 18.634 -0.131 -4.038 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.876 0.309 0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.153 -1.226 -1.722 1.00 0.00 H new ATOM 566 N SER A 38 21.657 3.063 -6.304 1.00 0.00 N ATOM 567 CA SER A 38 21.983 3.892 -7.457 1.00 0.00 C ATOM 568 C SER A 38 20.897 4.929 -7.716 1.00 0.00 C ATOM 569 O SER A 38 19.777 4.803 -7.223 1.00 0.00 O ATOM 570 CB SER A 38 22.187 3.024 -8.684 1.00 0.00 C ATOM 571 OG SER A 38 20.998 2.411 -9.099 1.00 0.00 O ATOM 0 H SER A 38 21.344 2.121 -6.538 1.00 0.00 H new ATOM 0 HA SER A 38 22.909 4.424 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.583 3.633 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.932 2.259 -8.466 1.00 0.00 H new ATOM 0 HG SER A 38 21.172 1.863 -9.892 1.00 0.00 H new ATOM 577 N ARG A 39 21.236 5.953 -8.492 1.00 0.00 N ATOM 578 CA ARG A 39 20.314 7.050 -8.758 1.00 0.00 C ATOM 579 C ARG A 39 19.391 6.723 -9.926 1.00 0.00 C ATOM 580 O ARG A 39 19.763 5.980 -10.834 1.00 0.00 O ATOM 581 CB ARG A 39 21.038 8.370 -8.975 1.00 0.00 C ATOM 582 CG ARG A 39 21.757 8.913 -7.749 1.00 0.00 C ATOM 583 CD ARG A 39 22.459 10.204 -7.973 1.00 0.00 C ATOM 584 NE ARG A 39 23.575 10.130 -8.901 1.00 0.00 N ATOM 585 CZ ARG A 39 24.330 11.181 -9.275 1.00 0.00 C ATOM 586 NH1 ARG A 39 24.069 12.392 -8.834 1.00 0.00 N ATOM 587 NH2 ARG A 39 25.326 10.967 -10.118 1.00 0.00 N ATOM 0 H ARG A 39 22.144 6.046 -8.948 1.00 0.00 H new ATOM 0 HA ARG A 39 19.697 7.172 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.764 8.242 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 39 20.316 9.113 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 39 21.033 9.042 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 39 22.482 8.173 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 39 21.740 10.934 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.823 10.576 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 39 23.803 9.218 -9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.285 12.546 -8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.650 13.178 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 39 25.505 10.026 -10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 39 25.915 11.743 -10.419 1.00 0.00 H new ATOM 601 N ILE A 40 18.186 7.282 -9.896 1.00 0.00 N ATOM 602 CA ILE A 40 17.247 7.138 -11.003 1.00 0.00 C ATOM 603 C ILE A 40 17.731 7.889 -12.236 1.00 0.00 C ATOM 604 O ILE A 40 18.084 9.066 -12.160 1.00 0.00 O ATOM 605 CB ILE A 40 15.844 7.644 -10.622 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.273 6.817 -9.467 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.916 7.594 -11.825 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.991 7.375 -8.892 1.00 0.00 C ATOM 0 H ILE A 40 17.836 7.839 -9.117 1.00 0.00 H new ATOM 0 HA ILE A 40 17.189 6.074 -11.230 1.00 0.00 H new ATOM 0 HB ILE A 40 15.927 8.681 -10.295 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.092 5.800 -9.816 1.00 0.00 H new ATOM 0 HG13 ILE A 40 16.019 6.754 -8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.928 7.955 -11.538 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.316 8.224 -12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.837 6.567 -12.181 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.648 6.735 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.170 8.381 -8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.229 7.412 -9.670 1.00 0.00 H new ATOM 620 N PRO A 41 17.744 7.202 -13.373 1.00 0.00 N ATOM 621 CA PRO A 41 18.142 7.816 -14.635 1.00 0.00 C ATOM 622 C PRO A 41 17.385 9.114 -14.878 1.00 0.00 C ATOM 623 O PRO A 41 16.208 9.233 -14.534 1.00 0.00 O ATOM 624 CB PRO A 41 17.816 6.752 -15.688 1.00 0.00 C ATOM 625 CG PRO A 41 17.918 5.459 -14.954 1.00 0.00 C ATOM 626 CD PRO A 41 17.415 5.748 -13.565 1.00 0.00 C ATOM 0 HA PRO A 41 19.195 8.097 -14.654 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.818 6.896 -16.102 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.516 6.791 -16.522 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.320 4.685 -15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 41 18.947 5.099 -14.933 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.344 5.563 -13.478 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.908 5.122 -12.821 1.00 0.00 H new ATOM 634 N ARG A 42 18.066 10.088 -15.473 1.00 0.00 N ATOM 635 CA ARG A 42 17.482 11.406 -15.696 1.00 0.00 C ATOM 636 C ARG A 42 16.273 11.323 -16.620 1.00 0.00 C ATOM 637 O ARG A 42 15.314 12.080 -16.472 1.00 0.00 O ATOM 638 CB ARG A 42 18.505 12.409 -16.207 1.00 0.00 C ATOM 639 CG ARG A 42 19.562 12.816 -15.192 1.00 0.00 C ATOM 640 CD ARG A 42 20.631 13.691 -15.740 1.00 0.00 C ATOM 641 NE ARG A 42 21.673 14.037 -14.786 1.00 0.00 N ATOM 642 CZ ARG A 42 22.801 14.706 -15.096 1.00 0.00 C ATOM 643 NH1 ARG A 42 23.056 15.068 -16.334 1.00 0.00 N ATOM 644 NH2 ARG A 42 23.658 14.967 -14.124 1.00 0.00 N ATOM 0 H ARG A 42 19.024 9.989 -15.810 1.00 0.00 H new ATOM 0 HA ARG A 42 17.139 11.772 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.003 11.986 -17.079 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.980 13.303 -16.542 1.00 0.00 H new ATOM 0 HG2 ARG A 42 19.075 13.332 -14.365 1.00 0.00 H new ATOM 0 HG3 ARG A 42 20.020 11.916 -14.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 21.089 13.193 -16.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 20.177 14.609 -16.112 1.00 0.00 H new ATOM 0 HE ARG A 42 21.541 13.754 -13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.395 14.843 -17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.915 15.574 -16.551 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.456 14.664 -13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.521 15.472 -14.327 1.00 0.00 H new ATOM 658 N SER A 43 16.326 10.399 -17.574 1.00 0.00 N ATOM 659 CA SER A 43 15.214 10.182 -18.492 1.00 0.00 C ATOM 660 C SER A 43 13.986 9.661 -17.756 1.00 0.00 C ATOM 661 O SER A 43 12.859 10.057 -18.051 1.00 0.00 O ATOM 662 CB SER A 43 15.622 9.215 -19.586 1.00 0.00 C ATOM 663 OG SER A 43 16.617 9.751 -20.417 1.00 0.00 O ATOM 0 H SER A 43 17.128 9.788 -17.731 1.00 0.00 H new ATOM 0 HA SER A 43 14.954 11.140 -18.943 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.985 8.291 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.749 8.957 -20.186 1.00 0.00 H new ATOM 0 HG SER A 43 16.854 9.097 -21.108 1.00 0.00 H new ATOM 669 N GLN A 44 14.212 8.770 -16.795 1.00 0.00 N ATOM 670 CA GLN A 44 13.120 8.152 -16.052 1.00 0.00 C ATOM 671 C GLN A 44 12.290 9.199 -15.320 1.00 0.00 C ATOM 672 O GLN A 44 11.061 9.198 -15.401 1.00 0.00 O ATOM 673 CB GLN A 44 13.665 7.132 -15.049 1.00 0.00 C ATOM 674 CG GLN A 44 14.215 5.866 -15.685 1.00 0.00 C ATOM 675 CD GLN A 44 13.125 4.871 -16.033 1.00 0.00 C ATOM 676 OE1 GLN A 44 12.153 5.209 -16.715 1.00 0.00 O ATOM 677 NE2 GLN A 44 13.276 3.639 -15.563 1.00 0.00 N ATOM 0 H GLN A 44 15.142 8.460 -16.513 1.00 0.00 H new ATOM 0 HA GLN A 44 12.478 7.642 -16.770 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.454 7.602 -14.462 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.869 6.861 -14.355 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.766 6.127 -16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.925 5.399 -15.002 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.096 3.404 -15.003 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.573 2.928 -15.762 1.00 0.00 H new ATOM 686 N ILE A 45 12.967 10.092 -14.608 1.00 0.00 N ATOM 687 CA ILE A 45 12.294 11.150 -13.866 1.00 0.00 C ATOM 688 C ILE A 45 11.682 12.180 -14.808 1.00 0.00 C ATOM 689 O ILE A 45 10.544 12.611 -14.617 1.00 0.00 O ATOM 690 CB ILE A 45 13.255 11.863 -12.897 1.00 0.00 C ATOM 691 CG1 ILE A 45 13.669 10.920 -11.766 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.612 13.121 -12.337 1.00 0.00 C ATOM 693 CD1 ILE A 45 14.786 11.456 -10.899 1.00 0.00 C ATOM 0 H ILE A 45 13.984 10.104 -14.529 1.00 0.00 H new ATOM 0 HA ILE A 45 11.502 10.672 -13.290 1.00 0.00 H new ATOM 0 HB ILE A 45 14.150 12.153 -13.448 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.801 10.718 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.981 9.968 -12.196 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.306 13.611 -11.654 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.367 13.799 -13.154 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.701 12.856 -11.800 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.022 10.731 -10.121 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.670 11.632 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.472 12.393 -10.439 1.00 0.00 H new ATOM 705 N GLN A 46 12.442 12.569 -15.825 1.00 0.00 N ATOM 706 CA GLN A 46 11.985 13.564 -16.787 1.00 0.00 C ATOM 707 C GLN A 46 10.637 13.176 -17.383 1.00 0.00 C ATOM 708 O GLN A 46 9.779 14.028 -17.610 1.00 0.00 O ATOM 709 CB GLN A 46 13.014 13.741 -17.907 1.00 0.00 C ATOM 710 CG GLN A 46 12.634 14.784 -18.943 1.00 0.00 C ATOM 711 CD GLN A 46 13.703 14.964 -20.004 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.719 14.262 -20.005 1.00 0.00 O ATOM 713 NE2 GLN A 46 13.484 15.910 -20.910 1.00 0.00 N ATOM 0 H GLN A 46 13.379 12.209 -16.005 1.00 0.00 H new ATOM 0 HA GLN A 46 11.869 14.508 -16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.972 14.016 -17.465 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.158 12.784 -18.408 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.698 14.493 -19.420 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.456 15.737 -18.446 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.630 16.466 -20.870 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.170 16.080 -21.645 1.00 0.00 H new ATOM 722 N ARG A 47 10.459 11.883 -17.635 1.00 0.00 N ATOM 723 CA ARG A 47 9.272 11.395 -18.326 1.00 0.00 C ATOM 724 C ARG A 47 8.300 10.738 -17.355 1.00 0.00 C ATOM 725 O ARG A 47 7.277 10.186 -17.762 1.00 0.00 O ATOM 726 CB ARG A 47 9.620 10.467 -19.480 1.00 0.00 C ATOM 727 CG ARG A 47 10.450 11.101 -20.584 1.00 0.00 C ATOM 728 CD ARG A 47 9.723 12.113 -21.391 1.00 0.00 C ATOM 729 NE ARG A 47 10.451 12.593 -22.554 1.00 0.00 N ATOM 730 CZ ARG A 47 9.957 13.454 -23.466 1.00 0.00 C ATOM 731 NH1 ARG A 47 8.725 13.902 -23.376 1.00 0.00 N ATOM 732 NH2 ARG A 47 10.738 13.818 -24.469 1.00 0.00 N ATOM 0 H ARG A 47 11.122 11.155 -17.371 1.00 0.00 H new ATOM 0 HA ARG A 47 8.775 12.263 -18.760 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.163 9.608 -19.085 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.695 10.088 -19.914 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.327 11.570 -20.139 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.811 10.315 -21.248 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.777 11.684 -21.722 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.482 12.963 -20.753 1.00 0.00 H new ATOM 0 HE ARG A 47 11.403 12.254 -22.690 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.127 13.599 -22.607 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.367 14.553 -24.075 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.686 13.449 -24.537 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.392 14.468 -25.175 1.00 0.00 H new ATOM 746 N ALA A 48 8.625 10.800 -16.068 1.00 0.00 N ATOM 747 CA ALA A 48 7.829 10.136 -15.044 1.00 0.00 C ATOM 748 C ALA A 48 6.499 10.849 -14.833 1.00 0.00 C ATOM 749 O ALA A 48 6.449 12.074 -14.729 1.00 0.00 O ATOM 750 CB ALA A 48 8.604 10.058 -13.737 1.00 0.00 C ATOM 0 H ALA A 48 9.436 11.304 -15.710 1.00 0.00 H new ATOM 0 HA ALA A 48 7.617 9.123 -15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.996 9.559 -12.982 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.524 9.494 -13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.849 11.065 -13.398 1.00 0.00 H new ATOM 756 N ARG A 49 5.422 10.073 -14.770 1.00 0.00 N ATOM 757 CA ARG A 49 4.150 10.567 -14.254 1.00 0.00 C ATOM 758 C ARG A 49 4.178 10.676 -12.734 1.00 0.00 C ATOM 759 O ARG A 49 5.005 10.049 -12.072 1.00 0.00 O ATOM 760 CB ARG A 49 2.973 9.729 -14.730 1.00 0.00 C ATOM 761 CG ARG A 49 2.572 9.954 -16.178 1.00 0.00 C ATOM 762 CD ARG A 49 1.274 9.340 -16.558 1.00 0.00 C ATOM 763 NE ARG A 49 0.798 9.705 -17.883 1.00 0.00 N ATOM 764 CZ ARG A 49 -0.421 9.400 -18.369 1.00 0.00 C ATOM 765 NH1 ARG A 49 -1.275 8.695 -17.662 1.00 0.00 N ATOM 766 NH2 ARG A 49 -0.726 9.810 -19.588 1.00 0.00 N ATOM 0 H ARG A 49 5.405 9.098 -15.070 1.00 0.00 H new ATOM 0 HA ARG A 49 4.007 11.569 -14.659 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.218 8.675 -14.595 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.114 9.940 -14.093 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.521 11.027 -16.366 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.353 9.554 -16.825 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.371 8.256 -16.507 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.522 9.628 -15.824 1.00 0.00 H new ATOM 0 HE ARG A 49 1.432 10.229 -18.487 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.019 8.370 -16.730 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.194 8.473 -18.045 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.046 10.341 -20.132 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.641 9.595 -19.984 1.00 0.00 H new ATOM 780 N PRO A 50 3.270 11.478 -12.188 1.00 0.00 N ATOM 781 CA PRO A 50 3.136 11.608 -10.741 1.00 0.00 C ATOM 782 C PRO A 50 2.840 10.263 -10.091 1.00 0.00 C ATOM 783 O PRO A 50 3.131 10.055 -8.913 1.00 0.00 O ATOM 784 CB PRO A 50 1.984 12.602 -10.561 1.00 0.00 C ATOM 785 CG PRO A 50 1.246 12.554 -11.855 1.00 0.00 C ATOM 786 CD PRO A 50 2.299 12.332 -12.908 1.00 0.00 C ATOM 0 HA PRO A 50 4.051 11.955 -10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.342 12.319 -9.727 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.354 13.606 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.511 11.749 -11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.703 13.482 -12.032 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.896 11.838 -13.792 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.747 13.268 -13.243 1.00 0.00 H new ATOM 794 N VAL A 51 2.261 9.352 -10.865 1.00 0.00 N ATOM 795 CA VAL A 51 1.942 8.018 -10.372 1.00 0.00 C ATOM 796 C VAL A 51 3.107 7.059 -10.583 1.00 0.00 C ATOM 797 O VAL A 51 3.172 6.000 -9.959 1.00 0.00 O ATOM 798 CB VAL A 51 0.688 7.446 -11.059 1.00 0.00 C ATOM 799 CG1 VAL A 51 -0.494 8.388 -10.881 1.00 0.00 C ATOM 800 CG2 VAL A 51 0.954 7.202 -12.536 1.00 0.00 C ATOM 0 H VAL A 51 2.003 9.514 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 51 1.746 8.117 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 51 0.444 6.493 -10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.371 7.968 -11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.700 8.516 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.258 9.356 -11.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.057 6.798 -13.005 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.223 8.142 -13.017 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.773 6.491 -12.646 1.00 0.00 H new ATOM 810 N LYS A 52 4.025 7.438 -11.466 1.00 0.00 N ATOM 811 CA LYS A 52 5.155 6.582 -11.809 1.00 0.00 C ATOM 812 C LYS A 52 6.373 6.910 -10.955 1.00 0.00 C ATOM 813 O LYS A 52 7.236 6.061 -10.736 1.00 0.00 O ATOM 814 CB LYS A 52 5.500 6.721 -13.293 1.00 0.00 C ATOM 815 CG LYS A 52 4.437 6.180 -14.240 1.00 0.00 C ATOM 816 CD LYS A 52 4.866 6.321 -15.693 1.00 0.00 C ATOM 817 CE LYS A 52 3.812 5.765 -16.638 1.00 0.00 C ATOM 818 NZ LYS A 52 4.231 5.870 -18.062 1.00 0.00 N ATOM 0 H LYS A 52 4.009 8.332 -11.957 1.00 0.00 H new ATOM 0 HA LYS A 52 4.866 5.550 -11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.667 7.775 -13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.439 6.202 -13.485 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.247 5.131 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.500 6.714 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.044 7.372 -15.921 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.809 5.797 -15.848 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.619 4.721 -16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.876 6.304 -16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.485 5.480 -18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.390 6.869 -18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.111 5.334 -18.205 1.00 0.00 H new ATOM 832 N MET A 53 6.437 8.148 -10.475 1.00 0.00 N ATOM 833 CA MET A 53 7.544 8.586 -9.634 1.00 0.00 C ATOM 834 C MET A 53 7.584 7.806 -8.326 1.00 0.00 C ATOM 835 O MET A 53 8.657 7.521 -7.794 1.00 0.00 O ATOM 836 CB MET A 53 7.431 10.083 -9.352 1.00 0.00 C ATOM 837 CG MET A 53 7.842 10.975 -10.515 1.00 0.00 C ATOM 838 SD MET A 53 7.737 12.731 -10.116 1.00 0.00 S ATOM 839 CE MET A 53 8.558 13.450 -11.535 1.00 0.00 C ATOM 0 H MET A 53 5.735 8.865 -10.655 1.00 0.00 H new ATOM 0 HA MET A 53 8.473 8.393 -10.171 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.401 10.312 -9.081 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.050 10.325 -8.488 1.00 0.00 H new ATOM 0 HG2 MET A 53 8.863 10.734 -10.809 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.205 10.763 -11.373 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.796 14.493 -11.328 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.478 12.902 -11.740 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.901 13.393 -12.403 1.00 0.00 H new ATOM 849 N ALA A 54 6.407 7.464 -7.811 1.00 0.00 N ATOM 850 CA ALA A 54 6.306 6.627 -6.621 1.00 0.00 C ATOM 851 C ALA A 54 6.924 5.255 -6.858 1.00 0.00 C ATOM 852 O ALA A 54 7.649 4.735 -6.010 1.00 0.00 O ATOM 853 CB ALA A 54 4.854 6.491 -6.190 1.00 0.00 C ATOM 0 H ALA A 54 5.510 7.754 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 54 6.865 7.111 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.796 5.863 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.447 7.477 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.277 6.035 -6.994 1.00 0.00 H new ATOM 859 N THR A 55 6.633 4.672 -8.016 1.00 0.00 N ATOM 860 CA THR A 55 7.182 3.372 -8.379 1.00 0.00 C ATOM 861 C THR A 55 8.694 3.441 -8.553 1.00 0.00 C ATOM 862 O THR A 55 9.421 2.562 -8.091 1.00 0.00 O ATOM 863 CB THR A 55 6.551 2.834 -9.678 1.00 0.00 C ATOM 864 OG1 THR A 55 5.143 2.645 -9.485 1.00 0.00 O ATOM 865 CG2 THR A 55 7.187 1.510 -10.071 1.00 0.00 C ATOM 0 H THR A 55 6.019 5.081 -8.720 1.00 0.00 H new ATOM 0 HA THR A 55 6.944 2.692 -7.561 1.00 0.00 H new ATOM 0 HB THR A 55 6.722 3.558 -10.475 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.742 2.305 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.729 1.145 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.256 1.653 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.033 0.782 -9.275 1.00 0.00 H new ATOM 873 N LEU A 56 9.160 4.491 -9.220 1.00 0.00 N ATOM 874 CA LEU A 56 10.581 4.647 -9.506 1.00 0.00 C ATOM 875 C LEU A 56 11.395 4.751 -8.223 1.00 0.00 C ATOM 876 O LEU A 56 12.440 4.118 -8.086 1.00 0.00 O ATOM 877 CB LEU A 56 10.812 5.881 -10.387 1.00 0.00 C ATOM 878 CG LEU A 56 10.307 5.758 -11.830 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.399 7.106 -12.532 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.126 4.710 -12.568 1.00 0.00 C ATOM 0 H LEU A 56 8.574 5.247 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 56 10.916 3.760 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.325 6.737 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.880 6.096 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 56 9.262 5.447 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.038 7.008 -13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.788 7.836 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.436 7.440 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.767 4.623 -13.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.175 5.007 -12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.024 3.748 -12.065 1.00 0.00 H new ATOM 892 N LEU A 57 10.906 5.555 -7.284 1.00 0.00 N ATOM 893 CA LEU A 57 11.606 5.772 -6.022 1.00 0.00 C ATOM 894 C LEU A 57 11.677 4.490 -5.203 1.00 0.00 C ATOM 895 O LEU A 57 12.718 4.163 -4.634 1.00 0.00 O ATOM 896 CB LEU A 57 10.915 6.881 -5.219 1.00 0.00 C ATOM 897 CG LEU A 57 11.059 8.294 -5.798 1.00 0.00 C ATOM 898 CD1 LEU A 57 10.154 9.261 -5.048 1.00 0.00 C ATOM 899 CD2 LEU A 57 12.512 8.736 -5.709 1.00 0.00 C ATOM 0 H LEU A 57 10.028 6.067 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 57 12.626 6.081 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.854 6.644 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.317 6.878 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 57 10.758 8.289 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.264 10.261 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.117 8.939 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.432 9.276 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.613 9.740 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.828 8.738 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.137 8.047 -6.276 1.00 0.00 H new ATOM 911 N VAL A 58 10.564 3.767 -5.148 1.00 0.00 N ATOM 912 CA VAL A 58 10.507 2.504 -4.423 1.00 0.00 C ATOM 913 C VAL A 58 11.398 1.453 -5.073 1.00 0.00 C ATOM 914 O VAL A 58 12.036 0.656 -4.386 1.00 0.00 O ATOM 915 CB VAL A 58 9.066 1.963 -4.343 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.061 0.541 -3.799 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.204 2.867 -3.475 1.00 0.00 C ATOM 0 H VAL A 58 9.688 4.035 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 58 10.867 2.706 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 58 8.647 1.950 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.036 0.174 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.645 -0.102 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.499 0.532 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.190 2.469 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.621 2.911 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.182 3.869 -3.903 1.00 0.00 H new ATOM 927 N THR A 59 11.437 1.459 -6.401 1.00 0.00 N ATOM 928 CA THR A 59 12.206 0.470 -7.148 1.00 0.00 C ATOM 929 C THR A 59 13.702 0.723 -7.016 1.00 0.00 C ATOM 930 O THR A 59 14.471 -0.190 -6.712 1.00 0.00 O ATOM 931 CB THR A 59 11.825 0.470 -8.641 1.00 0.00 C ATOM 932 OG1 THR A 59 10.451 0.091 -8.786 1.00 0.00 O ATOM 933 CG2 THR A 59 12.701 -0.505 -9.414 1.00 0.00 C ATOM 0 H THR A 59 10.945 2.138 -6.982 1.00 0.00 H new ATOM 0 HA THR A 59 11.966 -0.504 -6.721 1.00 0.00 H new ATOM 0 HB THR A 59 11.976 1.473 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.877 0.861 -8.591 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.418 -0.492 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.746 -0.212 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.567 -1.510 -9.014 1.00 0.00 H new ATOM 941 N TYR A 60 14.110 1.965 -7.247 1.00 0.00 N ATOM 942 CA TYR A 60 15.522 2.290 -7.414 1.00 0.00 C ATOM 943 C TYR A 60 16.205 2.489 -6.066 1.00 0.00 C ATOM 944 O TYR A 60 17.374 2.144 -5.895 1.00 0.00 O ATOM 945 CB TYR A 60 15.685 3.544 -8.275 1.00 0.00 C ATOM 946 CG TYR A 60 15.622 3.279 -9.763 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.409 3.272 -10.436 1.00 0.00 C ATOM 948 CD2 TYR A 60 16.778 3.036 -10.491 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.346 3.030 -11.794 1.00 0.00 C ATOM 950 CE2 TYR A 60 16.727 2.793 -11.851 1.00 0.00 C ATOM 951 CZ TYR A 60 15.509 2.791 -12.498 1.00 0.00 C ATOM 952 OH TYR A 60 15.452 2.550 -13.852 1.00 0.00 O ATOM 0 H TYR A 60 13.482 2.765 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 60 16.000 1.450 -7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.906 4.258 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.641 4.013 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.497 3.459 -9.888 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.733 3.037 -9.987 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.393 3.028 -12.302 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.636 2.606 -12.404 1.00 0.00 H new ATOM 0 HH TYR A 60 16.358 2.402 -14.196 1.00 0.00 H new ATOM 962 N TYR A 61 15.468 3.048 -5.112 1.00 0.00 N ATOM 963 CA TYR A 61 16.029 3.386 -3.810 1.00 0.00 C ATOM 964 C TYR A 61 15.480 2.474 -2.721 1.00 0.00 C ATOM 965 O TYR A 61 16.230 1.966 -1.887 1.00 0.00 O ATOM 966 CB TYR A 61 15.739 4.849 -3.466 1.00 0.00 C ATOM 967 CG TYR A 61 16.312 5.838 -4.455 1.00 0.00 C ATOM 968 CD1 TYR A 61 17.685 5.981 -4.603 1.00 0.00 C ATOM 969 CD2 TYR A 61 15.482 6.626 -5.239 1.00 0.00 C ATOM 970 CE1 TYR A 61 18.214 6.883 -5.505 1.00 0.00 C ATOM 971 CE2 TYR A 61 16.001 7.530 -6.145 1.00 0.00 C ATOM 972 CZ TYR A 61 17.369 7.656 -6.275 1.00 0.00 C ATOM 973 OH TYR A 61 17.892 8.556 -7.174 1.00 0.00 O ATOM 0 H TYR A 61 14.479 3.277 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 61 17.108 3.242 -3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.660 4.991 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 61 16.141 5.066 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 61 18.350 5.377 -4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.411 6.531 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 61 19.284 6.983 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.340 8.135 -6.748 1.00 0.00 H new ATOM 0 HH TYR A 61 17.162 9.019 -7.636 1.00 0.00 H new ATOM 983 N GLY A 62 14.167 2.269 -2.733 1.00 0.00 N ATOM 984 CA GLY A 62 13.521 1.380 -1.775 1.00 0.00 C ATOM 985 C GLY A 62 12.290 2.033 -1.160 1.00 0.00 C ATOM 986 O GLY A 62 12.045 3.224 -1.355 1.00 0.00 O ATOM 0 H GLY A 62 13.529 2.707 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.234 0.453 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.227 1.115 -0.988 1.00 0.00 H new ATOM 990 N GLU A 63 11.519 1.247 -0.417 1.00 0.00 N ATOM 991 CA GLU A 63 10.243 1.710 0.118 1.00 0.00 C ATOM 992 C GLU A 63 10.442 2.843 1.115 1.00 0.00 C ATOM 993 O GLU A 63 9.800 3.888 1.019 1.00 0.00 O ATOM 994 CB GLU A 63 9.489 0.555 0.777 1.00 0.00 C ATOM 995 CG GLU A 63 8.977 -0.501 -0.194 1.00 0.00 C ATOM 996 CD GLU A 63 8.375 -1.668 0.534 1.00 0.00 C ATOM 997 OE1 GLU A 63 8.432 -1.686 1.741 1.00 0.00 O ATOM 998 OE2 GLU A 63 7.758 -2.488 -0.105 1.00 0.00 O ATOM 0 H GLU A 63 11.755 0.286 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 63 9.651 2.090 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.146 0.075 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.643 0.960 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.232 -0.059 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.797 -0.847 -0.824 1.00 0.00 H new ATOM 1005 N GLU A 64 11.337 2.630 2.074 1.00 0.00 N ATOM 1006 CA GLU A 64 11.625 3.635 3.091 1.00 0.00 C ATOM 1007 C GLU A 64 12.237 4.885 2.472 1.00 0.00 C ATOM 1008 O GLU A 64 11.826 6.005 2.777 1.00 0.00 O ATOM 1009 CB GLU A 64 12.561 3.064 4.158 1.00 0.00 C ATOM 1010 CG GLU A 64 12.910 4.038 5.274 1.00 0.00 C ATOM 1011 CD GLU A 64 13.827 3.407 6.285 1.00 0.00 C ATOM 1012 OE1 GLU A 64 14.139 2.250 6.133 1.00 0.00 O ATOM 1013 OE2 GLU A 64 14.306 4.108 7.143 1.00 0.00 O ATOM 0 H GLU A 64 11.876 1.769 2.168 1.00 0.00 H new ATOM 0 HA GLU A 64 10.682 3.914 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.097 2.180 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.483 2.736 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.386 4.923 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.997 4.372 5.767 1.00 0.00 H new ATOM 1020 N TYR A 65 13.221 4.686 1.602 1.00 0.00 N ATOM 1021 CA TYR A 65 13.941 5.799 0.993 1.00 0.00 C ATOM 1022 C TYR A 65 13.041 6.587 0.050 1.00 0.00 C ATOM 1023 O TYR A 65 13.217 7.792 -0.130 1.00 0.00 O ATOM 1024 CB TYR A 65 15.173 5.292 0.241 1.00 0.00 C ATOM 1025 CG TYR A 65 16.214 4.649 1.131 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.140 4.765 2.512 1.00 0.00 C ATOM 1027 CD2 TYR A 65 17.266 3.927 0.588 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.088 4.181 3.330 1.00 0.00 C ATOM 1029 CE2 TYR A 65 18.219 3.338 1.396 1.00 0.00 C ATOM 1030 CZ TYR A 65 18.127 3.468 2.767 1.00 0.00 C ATOM 1031 OH TYR A 65 19.073 2.883 3.577 1.00 0.00 O ATOM 0 H TYR A 65 13.539 3.764 1.302 1.00 0.00 H new ATOM 0 HA TYR A 65 14.263 6.465 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.856 4.569 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.630 6.126 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.327 5.321 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.341 3.823 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 65 17.016 4.282 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.032 2.779 0.957 1.00 0.00 H new ATOM 0 HH TYR A 65 19.708 2.378 3.027 1.00 0.00 H new ATOM 1041 N ALA A 66 12.074 5.900 -0.549 1.00 0.00 N ATOM 1042 CA ALA A 66 11.107 6.546 -1.429 1.00 0.00 C ATOM 1043 C ALA A 66 10.293 7.592 -0.679 1.00 0.00 C ATOM 1044 O ALA A 66 10.097 8.705 -1.166 1.00 0.00 O ATOM 1045 CB ALA A 66 10.189 5.508 -2.059 1.00 0.00 C ATOM 0 H ALA A 66 11.939 4.895 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 66 11.658 7.054 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.473 6.005 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.783 4.802 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.654 4.972 -1.275 1.00 0.00 H new ATOM 1051 N VAL A 67 9.824 7.228 0.509 1.00 0.00 N ATOM 1052 CA VAL A 67 9.035 8.138 1.333 1.00 0.00 C ATOM 1053 C VAL A 67 9.883 9.299 1.837 1.00 0.00 C ATOM 1054 O VAL A 67 9.433 10.445 1.859 1.00 0.00 O ATOM 1055 CB VAL A 67 8.408 7.411 2.537 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.764 8.411 3.486 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.386 6.387 2.069 1.00 0.00 C ATOM 0 H VAL A 67 9.976 6.309 0.924 1.00 0.00 H new ATOM 0 HA VAL A 67 8.237 8.524 0.699 1.00 0.00 H new ATOM 0 HB VAL A 67 9.199 6.887 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.326 7.880 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.520 9.108 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.984 8.962 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.954 5.883 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.597 6.890 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.874 5.653 1.428 1.00 0.00 H new ATOM 1067 N GLN A 68 11.112 8.996 2.242 1.00 0.00 N ATOM 1068 CA GLN A 68 12.020 10.012 2.760 1.00 0.00 C ATOM 1069 C GLN A 68 12.391 11.020 1.680 1.00 0.00 C ATOM 1070 O GLN A 68 12.471 12.220 1.939 1.00 0.00 O ATOM 1071 CB GLN A 68 13.289 9.361 3.317 1.00 0.00 C ATOM 1072 CG GLN A 68 13.078 8.595 4.612 1.00 0.00 C ATOM 1073 CD GLN A 68 14.329 7.867 5.065 1.00 0.00 C ATOM 1074 OE1 GLN A 68 15.352 7.873 4.373 1.00 0.00 O ATOM 1075 NE2 GLN A 68 14.255 7.231 6.228 1.00 0.00 N ATOM 0 H GLN A 68 11.502 8.054 2.221 1.00 0.00 H new ATOM 0 HA GLN A 68 11.505 10.540 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.694 8.681 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.038 10.135 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 68 12.761 9.287 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 68 12.271 7.875 4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.389 7.253 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.064 6.721 6.583 1.00 0.00 H new ATOM 1084 N LEU A 69 12.616 10.524 0.467 1.00 0.00 N ATOM 1085 CA LEU A 69 12.995 11.379 -0.651 1.00 0.00 C ATOM 1086 C LEU A 69 11.844 12.286 -1.067 1.00 0.00 C ATOM 1087 O LEU A 69 12.023 13.489 -1.252 1.00 0.00 O ATOM 1088 CB LEU A 69 13.458 10.526 -1.838 1.00 0.00 C ATOM 1089 CG LEU A 69 14.974 10.318 -1.943 1.00 0.00 C ATOM 1090 CD1 LEU A 69 15.582 10.205 -0.552 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.261 9.068 -2.761 1.00 0.00 C ATOM 0 H LEU A 69 12.542 9.534 0.234 1.00 0.00 H new ATOM 0 HA LEU A 69 13.821 12.012 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.978 9.550 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.107 10.993 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 69 15.425 11.175 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.659 10.057 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.384 11.119 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.139 9.357 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.339 8.921 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.809 8.203 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.841 9.183 -3.760 1.00 0.00 H new ATOM 1103 N THR A 70 10.660 11.700 -1.211 1.00 0.00 N ATOM 1104 CA THR A 70 9.471 12.457 -1.587 1.00 0.00 C ATOM 1105 C THR A 70 9.120 13.494 -0.528 1.00 0.00 C ATOM 1106 O THR A 70 8.776 14.632 -0.849 1.00 0.00 O ATOM 1107 CB THR A 70 8.259 11.534 -1.807 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.527 10.641 -2.897 1.00 0.00 O ATOM 1109 CG2 THR A 70 7.015 12.351 -2.120 1.00 0.00 C ATOM 0 H THR A 70 10.498 10.702 -1.073 1.00 0.00 H new ATOM 0 HA THR A 70 9.705 12.963 -2.524 1.00 0.00 H new ATOM 0 HB THR A 70 8.086 10.964 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.974 9.837 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.169 11.681 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.802 13.022 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.182 12.936 -3.024 1.00 0.00 H new ATOM 1117 N LEU A 71 9.211 13.095 0.736 1.00 0.00 N ATOM 1118 CA LEU A 71 8.945 14.001 1.847 1.00 0.00 C ATOM 1119 C LEU A 71 9.878 15.204 1.813 1.00 0.00 C ATOM 1120 O LEU A 71 9.447 16.342 1.998 1.00 0.00 O ATOM 1121 CB LEU A 71 9.080 13.258 3.182 1.00 0.00 C ATOM 1122 CG LEU A 71 8.785 14.100 4.430 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.347 14.599 4.396 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.036 13.266 5.678 1.00 0.00 C ATOM 0 H LEU A 71 9.467 12.149 1.017 1.00 0.00 H new ATOM 0 HA LEU A 71 7.923 14.366 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.405 12.402 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.094 12.865 3.260 1.00 0.00 H new ATOM 0 HG LEU A 71 9.446 14.966 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.148 15.196 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.195 15.212 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.667 13.748 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.826 13.865 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.385 12.392 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.077 12.943 5.697 1.00 0.00 H new ATOM 1136 N GLN A 72 11.160 14.946 1.575 1.00 0.00 N ATOM 1137 CA GLN A 72 12.157 16.007 1.510 1.00 0.00 C ATOM 1138 C GLN A 72 11.854 16.980 0.378 1.00 0.00 C ATOM 1139 O GLN A 72 11.970 18.195 0.542 1.00 0.00 O ATOM 1140 CB GLN A 72 13.557 15.418 1.323 1.00 0.00 C ATOM 1141 CG GLN A 72 14.674 16.447 1.338 1.00 0.00 C ATOM 1142 CD GLN A 72 14.795 17.151 2.676 1.00 0.00 C ATOM 1143 OE1 GLN A 72 14.783 16.512 3.732 1.00 0.00 O ATOM 1144 NE2 GLN A 72 14.907 18.473 2.641 1.00 0.00 N ATOM 0 H GLN A 72 11.533 14.009 1.424 1.00 0.00 H new ATOM 0 HA GLN A 72 12.120 16.552 2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.740 14.688 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.588 14.879 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.619 15.957 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.494 17.186 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.913 18.961 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.988 19.001 3.510 1.00 0.00 H new ATOM 1153 N VAL A 73 11.465 16.440 -0.772 1.00 0.00 N ATOM 1154 CA VAL A 73 11.175 17.257 -1.943 1.00 0.00 C ATOM 1155 C VAL A 73 9.890 18.054 -1.755 1.00 0.00 C ATOM 1156 O VAL A 73 9.808 19.219 -2.148 1.00 0.00 O ATOM 1157 CB VAL A 73 11.053 16.398 -3.215 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.587 17.247 -4.389 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.381 15.729 -3.537 1.00 0.00 C ATOM 0 H VAL A 73 11.343 15.438 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 73 12.012 17.946 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 73 10.310 15.621 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.506 16.624 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.614 17.681 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.307 18.045 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.275 15.126 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.143 16.492 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.677 15.089 -2.706 1.00 0.00 H new ATOM 1169 N LEU A 74 8.890 17.421 -1.153 1.00 0.00 N ATOM 1170 CA LEU A 74 7.637 18.095 -0.834 1.00 0.00 C ATOM 1171 C LEU A 74 7.876 19.307 0.058 1.00 0.00 C ATOM 1172 O LEU A 74 7.271 20.362 -0.136 1.00 0.00 O ATOM 1173 CB LEU A 74 6.666 17.119 -0.159 1.00 0.00 C ATOM 1174 CG LEU A 74 6.028 16.083 -1.093 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.234 15.068 -0.282 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.131 16.789 -2.099 1.00 0.00 C ATOM 0 H LEU A 74 8.923 16.440 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 74 7.194 18.446 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.198 16.592 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.871 17.693 0.318 1.00 0.00 H new ATOM 0 HG LEU A 74 6.810 15.551 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.785 14.337 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.899 14.559 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.449 15.580 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.678 16.052 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.347 17.331 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.724 17.490 -2.686 1.00 0.00 H new ATOM 1188 N ARG A 75 8.762 19.150 1.036 1.00 0.00 N ATOM 1189 CA ARG A 75 9.143 20.255 1.908 1.00 0.00 C ATOM 1190 C ARG A 75 9.963 21.294 1.154 1.00 0.00 C ATOM 1191 O ARG A 75 9.876 22.490 1.435 1.00 0.00 O ATOM 1192 CB ARG A 75 9.866 19.775 3.158 1.00 0.00 C ATOM 1193 CG ARG A 75 8.997 19.012 4.146 1.00 0.00 C ATOM 1194 CD ARG A 75 9.742 18.426 5.290 1.00 0.00 C ATOM 1195 NE ARG A 75 8.914 17.694 6.236 1.00 0.00 N ATOM 1196 CZ ARG A 75 9.388 16.985 7.279 1.00 0.00 C ATOM 1197 NH1 ARG A 75 10.681 16.877 7.492 1.00 0.00 N ATOM 1198 NH2 ARG A 75 8.519 16.380 8.069 1.00 0.00 N ATOM 0 H ARG A 75 9.230 18.268 1.245 1.00 0.00 H new ATOM 0 HA ARG A 75 8.222 20.734 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.696 19.136 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.296 20.638 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.231 19.684 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.481 18.212 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.509 17.755 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.257 19.227 5.821 1.00 0.00 H new ATOM 0 HE ARG A 75 7.903 17.719 6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.341 17.334 6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.024 16.337 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.519 16.457 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.848 15.836 8.867 1.00 0.00 H new ATOM 1212 N ALA A 76 10.759 20.831 0.197 1.00 0.00 N ATOM 1213 CA ALA A 76 11.581 21.723 -0.613 1.00 0.00 C ATOM 1214 C ALA A 76 10.717 22.638 -1.472 1.00 0.00 C ATOM 1215 O ALA A 76 11.081 23.785 -1.733 1.00 0.00 O ATOM 1216 CB ALA A 76 12.536 20.918 -1.483 1.00 0.00 C ATOM 0 H ALA A 76 10.853 19.843 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 76 12.165 22.350 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.143 21.597 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.185 20.315 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.965 20.265 -2.142 1.00 0.00 H new ATOM 1222 N ILE A 77 9.573 22.123 -1.911 1.00 0.00 N ATOM 1223 CA ILE A 77 8.670 22.883 -2.767 1.00 0.00 C ATOM 1224 C ILE A 77 7.570 23.550 -1.953 1.00 0.00 C ATOM 1225 O ILE A 77 6.605 24.076 -2.509 1.00 0.00 O ATOM 1226 CB ILE A 77 8.029 21.989 -3.844 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.149 20.917 -3.195 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.102 21.348 -4.712 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.309 20.138 -4.180 1.00 0.00 C ATOM 0 H ILE A 77 9.249 21.182 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 77 9.271 23.650 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 77 7.400 22.611 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.784 20.223 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.491 21.392 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.631 20.719 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.688 22.127 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.757 20.738 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.714 19.398 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.647 20.820 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.960 19.633 -4.894 1.00 0.00 H new ATOM 1241 N ASN A 78 7.720 23.526 -0.633 1.00 0.00 N ATOM 1242 CA ASN A 78 6.818 24.253 0.253 1.00 0.00 C ATOM 1243 C ASN A 78 5.405 23.692 0.180 1.00 0.00 C ATOM 1244 O ASN A 78 4.430 24.443 0.125 1.00 0.00 O ATOM 1245 CB ASN A 78 6.811 25.738 -0.058 1.00 0.00 C ATOM 1246 CG ASN A 78 6.291 26.590 1.066 1.00 0.00 C ATOM 1247 OD1 ASN A 78 6.385 26.224 2.244 1.00 0.00 O ATOM 1248 ND2 ASN A 78 5.670 27.685 0.705 1.00 0.00 N ATOM 0 H ASN A 78 8.458 23.011 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 78 7.189 24.121 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.825 26.054 -0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.202 25.911 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.235 28.281 1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.621 27.942 -0.281 1.00 0.00 H new ATOM 1255 N GLN A 79 5.298 22.368 0.182 1.00 0.00 N ATOM 1256 CA GLN A 79 4.006 21.704 0.310 1.00 0.00 C ATOM 1257 C GLN A 79 3.873 21.011 1.660 1.00 0.00 C ATOM 1258 O GLN A 79 4.024 19.794 1.761 1.00 0.00 O ATOM 1259 CB GLN A 79 3.815 20.682 -0.816 1.00 0.00 C ATOM 1260 CG GLN A 79 3.615 21.300 -2.189 1.00 0.00 C ATOM 1261 CD GLN A 79 2.332 22.103 -2.282 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.266 21.647 -1.857 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.425 23.303 -2.842 1.00 0.00 N ATOM 0 H GLN A 79 6.091 21.733 0.096 1.00 0.00 H new ATOM 0 HA GLN A 79 3.233 22.469 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.685 20.026 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.953 20.057 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.462 21.946 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.601 20.511 -2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.327 23.640 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.595 23.888 -2.935 1.00 0.00 H new ATOM 1272 N ARG A 80 3.589 21.795 2.695 1.00 0.00 N ATOM 1273 CA ARG A 80 3.461 21.262 4.046 1.00 0.00 C ATOM 1274 C ARG A 80 2.281 20.305 4.152 1.00 0.00 C ATOM 1275 O ARG A 80 2.351 19.292 4.847 1.00 0.00 O ATOM 1276 CB ARG A 80 3.379 22.365 5.092 1.00 0.00 C ATOM 1277 CG ARG A 80 3.244 21.876 6.526 1.00 0.00 C ATOM 1278 CD ARG A 80 3.297 22.954 7.547 1.00 0.00 C ATOM 1279 NE ARG A 80 3.030 22.511 8.905 1.00 0.00 N ATOM 1280 CZ ARG A 80 3.098 23.300 9.995 1.00 0.00 C ATOM 1281 NH1 ARG A 80 3.459 24.560 9.898 1.00 0.00 N ATOM 1282 NH2 ARG A 80 2.814 22.766 11.171 1.00 0.00 N ATOM 0 H ARG A 80 3.443 22.802 2.624 1.00 0.00 H new ATOM 0 HA ARG A 80 4.369 20.696 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.273 22.985 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.527 23.004 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.300 21.341 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.040 21.159 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.283 23.418 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.574 23.725 7.281 1.00 0.00 H new ATOM 0 HE ARG A 80 2.773 21.534 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.693 24.955 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.505 25.143 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.552 21.782 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.857 23.338 12.014 1.00 0.00 H new ATOM 1296 N LEU A 81 1.196 20.633 3.457 1.00 0.00 N ATOM 1297 CA LEU A 81 0.011 19.783 3.443 1.00 0.00 C ATOM 1298 C LEU A 81 0.361 18.355 3.040 1.00 0.00 C ATOM 1299 O LEU A 81 0.055 17.405 3.760 1.00 0.00 O ATOM 1300 CB LEU A 81 -1.044 20.362 2.492 1.00 0.00 C ATOM 1301 CG LEU A 81 -2.314 19.516 2.333 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -3.038 19.404 3.667 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -3.215 20.144 1.280 1.00 0.00 C ATOM 0 H LEU A 81 1.113 21.481 2.896 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.398 19.756 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.328 21.352 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.590 20.496 1.510 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.043 18.511 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.938 18.802 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.382 18.931 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.313 20.399 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.117 19.543 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.488 21.153 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.686 20.187 0.328 1.00 0.00 H new ATOM 1315 N LEU A 82 1.004 18.213 1.886 1.00 0.00 N ATOM 1316 CA LEU A 82 1.325 16.897 1.346 1.00 0.00 C ATOM 1317 C LEU A 82 2.447 16.235 2.137 1.00 0.00 C ATOM 1318 O LEU A 82 2.522 15.010 2.220 1.00 0.00 O ATOM 1319 CB LEU A 82 1.711 17.011 -0.134 1.00 0.00 C ATOM 1320 CG LEU A 82 0.583 17.466 -1.068 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.121 17.657 -2.480 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.537 16.436 -1.053 1.00 0.00 C ATOM 0 H LEU A 82 1.313 18.993 1.306 1.00 0.00 H new ATOM 0 HA LEU A 82 0.438 16.270 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.541 17.712 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.074 16.041 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 82 0.186 18.420 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.313 17.980 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.906 18.413 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.530 16.714 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.338 16.760 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.152 15.474 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.925 16.335 -0.039 1.00 0.00 H new ATOM 1334 N ALA A 83 3.318 17.055 2.716 1.00 0.00 N ATOM 1335 CA ALA A 83 4.393 16.554 3.565 1.00 0.00 C ATOM 1336 C ALA A 83 3.841 15.894 4.821 1.00 0.00 C ATOM 1337 O ALA A 83 4.309 14.833 5.234 1.00 0.00 O ATOM 1338 CB ALA A 83 5.348 17.681 3.931 1.00 0.00 C ATOM 0 H ALA A 83 3.300 18.070 2.613 1.00 0.00 H new ATOM 0 HA ALA A 83 4.942 15.798 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.145 17.291 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.780 18.102 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.805 18.458 4.468 1.00 0.00 H new ATOM 1344 N GLU A 84 2.841 16.527 5.426 1.00 0.00 N ATOM 1345 CA GLU A 84 2.211 15.993 6.628 1.00 0.00 C ATOM 1346 C GLU A 84 1.334 14.790 6.301 1.00 0.00 C ATOM 1347 O GLU A 84 1.233 13.852 7.091 1.00 0.00 O ATOM 1348 CB GLU A 84 1.383 17.074 7.324 1.00 0.00 C ATOM 1349 CG GLU A 84 2.208 18.151 8.015 1.00 0.00 C ATOM 1350 CD GLU A 84 1.328 19.182 8.664 1.00 0.00 C ATOM 1351 OE1 GLU A 84 0.137 19.125 8.472 1.00 0.00 O ATOM 1352 OE2 GLU A 84 1.830 19.959 9.442 1.00 0.00 O ATOM 0 H GLU A 84 2.449 17.412 5.103 1.00 0.00 H new ATOM 0 HA GLU A 84 3.002 15.665 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.734 17.547 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.736 16.600 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.851 17.693 8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.862 18.633 7.288 1.00 0.00 H new ATOM 1359 N GLU A 85 0.701 14.825 5.134 1.00 0.00 N ATOM 1360 CA GLU A 85 -0.108 13.706 4.668 1.00 0.00 C ATOM 1361 C GLU A 85 0.750 12.472 4.418 1.00 0.00 C ATOM 1362 O GLU A 85 0.359 11.354 4.755 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.865 14.086 3.392 1.00 0.00 C ATOM 1364 CG GLU A 85 -2.051 15.012 3.619 1.00 0.00 C ATOM 1365 CD GLU A 85 -3.061 14.390 4.541 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -3.466 13.280 4.288 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -3.346 14.975 5.560 1.00 0.00 O ATOM 0 H GLU A 85 0.733 15.618 4.493 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.829 13.468 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.171 14.566 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.218 13.175 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.703 15.955 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.522 15.244 2.664 1.00 0.00 H new ATOM 1374 N LEU A 86 1.922 12.682 3.828 1.00 0.00 N ATOM 1375 CA LEU A 86 2.865 11.596 3.590 1.00 0.00 C ATOM 1376 C LEU A 86 3.470 11.095 4.896 1.00 0.00 C ATOM 1377 O LEU A 86 3.656 9.893 5.083 1.00 0.00 O ATOM 1378 CB LEU A 86 3.971 12.055 2.631 1.00 0.00 C ATOM 1379 CG LEU A 86 5.025 10.993 2.294 1.00 0.00 C ATOM 1380 CD1 LEU A 86 4.357 9.774 1.671 1.00 0.00 C ATOM 1381 CD2 LEU A 86 6.059 11.584 1.347 1.00 0.00 C ATOM 0 H LEU A 86 2.241 13.595 3.506 1.00 0.00 H new ATOM 0 HA LEU A 86 2.321 10.769 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.509 12.392 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.474 12.917 3.068 1.00 0.00 H new ATOM 0 HG LEU A 86 5.528 10.677 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.113 9.025 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.638 9.354 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.841 10.069 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.808 10.828 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.568 11.911 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.543 12.437 1.823 1.00 0.00 H new ATOM 1393 N HIS A 87 3.774 12.024 5.795 1.00 0.00 N ATOM 1394 CA HIS A 87 4.261 11.673 7.124 1.00 0.00 C ATOM 1395 C HIS A 87 3.286 10.749 7.842 1.00 0.00 C ATOM 1396 O HIS A 87 3.682 9.731 8.408 1.00 0.00 O ATOM 1397 CB HIS A 87 4.502 12.933 7.962 1.00 0.00 C ATOM 1398 CG HIS A 87 4.910 12.648 9.374 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.170 12.195 9.707 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.226 12.747 10.538 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.243 12.031 11.017 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.077 12.359 11.543 1.00 0.00 N ATOM 0 H HIS A 87 3.692 13.027 5.628 1.00 0.00 H new ATOM 0 HA HIS A 87 5.206 11.145 7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.276 13.534 7.484 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.592 13.533 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.202 13.071 10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.109 11.687 11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.846 12.329 12.536 1.00 0.00 H new ATOM 1410 N ARG A 88 2.007 11.111 7.814 1.00 0.00 N ATOM 1411 CA ARG A 88 0.969 10.305 8.445 1.00 0.00 C ATOM 1412 C ARG A 88 0.771 8.987 7.707 1.00 0.00 C ATOM 1413 O ARG A 88 0.465 7.963 8.316 1.00 0.00 O ATOM 1414 CB ARG A 88 -0.341 11.066 8.588 1.00 0.00 C ATOM 1415 CG ARG A 88 -0.329 12.169 9.635 1.00 0.00 C ATOM 1416 CD ARG A 88 -1.587 12.955 9.710 1.00 0.00 C ATOM 1417 NE ARG A 88 -1.590 13.991 10.730 1.00 0.00 N ATOM 1418 CZ ARG A 88 -2.592 14.868 10.927 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -3.657 14.865 10.156 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -2.468 15.750 11.904 1.00 0.00 N ATOM 0 H ARG A 88 1.665 11.958 7.360 1.00 0.00 H new ATOM 0 HA ARG A 88 1.311 10.075 9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.598 11.504 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.131 10.357 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.133 11.725 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.497 12.847 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.770 13.417 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.416 12.273 9.900 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.775 14.058 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.733 14.191 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.407 15.537 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.629 15.753 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.211 16.427 12.077 1.00 0.00 H new ATOM 1434 N ALA A 89 0.947 9.020 6.389 1.00 0.00 N ATOM 1435 CA ALA A 89 0.883 7.812 5.577 1.00 0.00 C ATOM 1436 C ALA A 89 2.016 6.854 5.928 1.00 0.00 C ATOM 1437 O ALA A 89 1.840 5.635 5.907 1.00 0.00 O ATOM 1438 CB ALA A 89 0.922 8.165 4.098 1.00 0.00 C ATOM 0 H ALA A 89 1.135 9.872 5.861 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.060 7.310 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.873 7.252 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.072 8.802 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.848 8.694 3.875 1.00 0.00 H new ATOM 1444 N ALA A 90 3.178 7.411 6.248 1.00 0.00 N ATOM 1445 CA ALA A 90 4.321 6.612 6.670 1.00 0.00 C ATOM 1446 C ALA A 90 4.085 5.997 8.044 1.00 0.00 C ATOM 1447 O ALA A 90 4.536 4.886 8.323 1.00 0.00 O ATOM 1448 CB ALA A 90 5.587 7.457 6.676 1.00 0.00 C ATOM 0 H ALA A 90 3.353 8.416 6.223 1.00 0.00 H new ATOM 0 HA ALA A 90 4.446 5.799 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.431 6.845 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.773 7.840 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.464 8.292 7.366 1.00 0.00 H new ATOM 1454 N ILE A 91 3.374 6.724 8.899 1.00 0.00 N ATOM 1455 CA ILE A 91 2.973 6.204 10.200 1.00 0.00 C ATOM 1456 C ILE A 91 2.021 5.025 10.052 1.00 0.00 C ATOM 1457 O ILE A 91 2.143 4.023 10.757 1.00 0.00 O ATOM 1458 CB ILE A 91 2.301 7.290 11.060 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.319 8.358 11.464 1.00 0.00 C ATOM 1460 CG2 ILE A 91 1.658 6.670 12.292 1.00 0.00 C ATOM 1461 CD1 ILE A 91 2.699 9.591 12.081 1.00 0.00 C ATOM 0 H ILE A 91 3.063 7.678 8.713 1.00 0.00 H new ATOM 0 HA ILE A 91 3.883 5.871 10.699 1.00 0.00 H new ATOM 0 HB ILE A 91 1.520 7.767 10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.024 7.924 12.173 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.891 8.652 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.188 7.451 12.889 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.904 5.946 11.983 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.421 6.168 12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.484 10.302 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.015 10.050 11.367 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.151 9.311 12.980 1.00 0.00 H new ATOM 1473 N GLN A 92 1.073 5.148 9.129 1.00 0.00 N ATOM 1474 CA GLN A 92 0.138 4.066 8.841 1.00 0.00 C ATOM 1475 C GLN A 92 0.831 2.914 8.127 1.00 0.00 C ATOM 1476 O GLN A 92 0.465 1.751 8.302 1.00 0.00 O ATOM 1477 CB GLN A 92 -1.026 4.578 7.987 1.00 0.00 C ATOM 1478 CG GLN A 92 -1.971 5.514 8.720 1.00 0.00 C ATOM 1479 CD GLN A 92 -3.065 6.055 7.818 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.115 5.744 6.624 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -3.947 6.870 8.384 1.00 0.00 N ATOM 0 H GLN A 92 0.932 5.987 8.567 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.248 3.700 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.623 5.095 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.593 3.724 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.424 4.985 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.403 6.346 9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.867 7.100 9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.705 7.267 7.828 1.00 0.00 H new ATOM 1490 N LEU A 93 1.836 3.242 7.322 1.00 0.00 N ATOM 1491 CA LEU A 93 2.610 2.231 6.611 1.00 0.00 C ATOM 1492 C LEU A 93 3.203 1.212 7.576 1.00 0.00 C ATOM 1493 O LEU A 93 2.521 0.321 8.002 1.00 0.00 O ATOM 1494 CB LEU A 93 3.721 2.894 5.788 1.00 0.00 C ATOM 1495 CG LEU A 93 4.560 1.938 4.932 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.704 1.341 3.823 1.00 0.00 C ATOM 1497 CD2 LEU A 93 5.750 2.686 4.350 1.00 0.00 C ATOM 0 H LEU A 93 2.134 4.201 7.146 1.00 0.00 H new ATOM 0 HA LEU A 93 1.936 1.703 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.270 3.641 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.386 3.426 6.468 1.00 0.00 H new ATOM 0 HG LEU A 93 4.929 1.123 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.309 0.664 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.872 0.791 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.317 2.141 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.346 2.005 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.395 3.509 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.364 3.080 5.160 1.00 0.00 H new