USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 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 69 SER OG : rot 84:sc= 0.486 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.372 K(o=0.86,f=-0.94) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.7) USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0.938 K(o=3,f=-7.6!) USER MOD Set 3.2: A 30 TYR OH : rot 50:sc= 2.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.28 (180deg=0.836) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0.419 K(o=0.42,f=-1.8!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.14) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 63:sc= 1.19 USER MOD Single : A 19 GLN : amide:sc= 0.9 K(o=0.9,f=0) USER MOD Single : A 20 TYR OH : rot 80:sc= -1.59! USER MOD Single : A 21 ASN : amide:sc= -2.21! C(o=-2.2!,f=-12!) USER MOD Single : A 23 THR OG1 : rot -37:sc= 0.37 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.58 (180deg=0.944) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.032 (180deg=-0.203) USER MOD Single : A 41 THR OG1 : rot 112:sc= 0.833 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 144:sc= 1.2 USER MOD Single : A 49 SER OG : rot 72:sc= 1.23 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -41:sc= 1.54 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 101:sc= 1.94 USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 1.23 (180deg=1.02) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.178 (180deg=-0.808) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 1.33 (180deg=1.24) USER MOD Single : A 76 SER OG : rot 150:sc= -0.266 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.81) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000994 USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.796) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 109 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.835 -6.269 -5.490 1.00 0.00 N ATOM 2 CA MET A 1 -14.132 -4.978 -5.582 1.00 0.00 C ATOM 3 C MET A 1 -14.216 -4.255 -4.245 1.00 0.00 C ATOM 4 O MET A 1 -14.580 -4.865 -3.227 1.00 0.00 O ATOM 5 CB MET A 1 -14.717 -4.101 -6.720 1.00 0.00 C ATOM 6 CG MET A 1 -14.531 -4.647 -8.137 1.00 0.00 C ATOM 7 SD MET A 1 -15.363 -6.224 -8.424 1.00 0.00 S ATOM 8 CE MET A 1 -14.919 -6.526 -10.134 1.00 0.00 C ATOM 0 H1 MET A 1 -15.280 -6.488 -6.404 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.155 -7.018 -5.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.567 -6.214 -4.753 1.00 0.00 H new ATOM 0 HA MET A 1 -13.085 -5.166 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.783 -3.966 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.257 -3.114 -6.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.906 -3.914 -8.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.466 -4.768 -8.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.358 -7.468 -10.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.294 -5.713 -10.756 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.834 -6.581 -10.224 1.00 0.00 H new ATOM 20 N GLY A 2 -13.849 -2.984 -4.229 1.00 0.00 N ATOM 21 CA GLY A 2 -13.921 -2.199 -3.023 1.00 0.00 C ATOM 22 C GLY A 2 -13.911 -0.728 -3.347 1.00 0.00 C ATOM 23 O GLY A 2 -12.893 -0.184 -3.720 1.00 0.00 O ATOM 0 H GLY A 2 -13.498 -2.479 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.828 -2.450 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.078 -2.440 -2.375 1.00 0.00 H new ATOM 27 N HIS A 3 -15.043 -0.090 -3.231 1.00 0.00 N ATOM 28 CA HIS A 3 -15.134 1.322 -3.550 1.00 0.00 C ATOM 29 C HIS A 3 -15.046 2.144 -2.282 1.00 0.00 C ATOM 30 O HIS A 3 -13.994 2.672 -1.957 1.00 0.00 O ATOM 31 CB HIS A 3 -16.426 1.655 -4.326 1.00 0.00 C ATOM 32 CG HIS A 3 -16.550 0.975 -5.661 1.00 0.00 C ATOM 33 ND1 HIS A 3 -16.381 1.629 -6.856 1.00 0.00 N ATOM 34 CD2 HIS A 3 -16.850 -0.309 -5.982 1.00 0.00 C ATOM 35 CE1 HIS A 3 -16.569 0.787 -7.847 1.00 0.00 C ATOM 36 NE2 HIS A 3 -16.853 -0.392 -7.345 1.00 0.00 N ATOM 0 H HIS A 3 -15.916 -0.516 -2.920 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.296 1.573 -4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.284 1.379 -3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.475 2.733 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.049 -1.114 -5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.501 1.025 -8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -17.045 -1.235 -7.886 1.00 0.00 H new ATOM 45 N HIS A 4 -16.155 2.217 -1.564 1.00 0.00 N ATOM 46 CA HIS A 4 -16.267 2.927 -0.288 1.00 0.00 C ATOM 47 C HIS A 4 -17.453 2.408 0.469 1.00 0.00 C ATOM 48 O HIS A 4 -18.602 2.587 0.048 1.00 0.00 O ATOM 49 CB HIS A 4 -16.367 4.471 -0.425 1.00 0.00 C ATOM 50 CG HIS A 4 -15.086 5.162 -0.778 1.00 0.00 C ATOM 51 ND1 HIS A 4 -14.881 5.831 -1.962 1.00 0.00 N ATOM 52 CD2 HIS A 4 -13.942 5.301 -0.075 1.00 0.00 C ATOM 53 CE1 HIS A 4 -13.676 6.342 -1.970 1.00 0.00 C ATOM 54 NE2 HIS A 4 -13.086 6.038 -0.839 1.00 0.00 N ATOM 0 H HIS A 4 -17.027 1.775 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.341 2.733 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.110 4.705 -1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.735 4.881 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.742 4.903 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.241 6.918 -2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.139 6.309 -0.573 1.00 0.00 H new ATOM 63 N HIS A 5 -17.183 1.778 1.556 1.00 0.00 N ATOM 64 CA HIS A 5 -18.193 1.197 2.397 1.00 0.00 C ATOM 65 C HIS A 5 -17.992 1.654 3.826 1.00 0.00 C ATOM 66 O HIS A 5 -17.204 1.081 4.576 1.00 0.00 O ATOM 67 CB HIS A 5 -18.235 -0.354 2.265 1.00 0.00 C ATOM 68 CG HIS A 5 -16.915 -1.066 2.486 1.00 0.00 C ATOM 69 ND1 HIS A 5 -16.588 -1.716 3.654 1.00 0.00 N ATOM 70 CD2 HIS A 5 -15.854 -1.239 1.660 1.00 0.00 C ATOM 71 CE1 HIS A 5 -15.397 -2.247 3.540 1.00 0.00 C ATOM 72 NE2 HIS A 5 -14.927 -1.977 2.346 1.00 0.00 N ATOM 0 H HIS A 5 -16.233 1.643 1.903 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.171 1.547 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.961 -0.742 2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.601 -0.606 1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.758 -0.865 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.886 -2.814 4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -14.018 -2.269 1.987 1.00 0.00 H new ATOM 81 N HIS A 6 -18.707 2.703 4.194 1.00 0.00 N ATOM 82 CA HIS A 6 -18.524 3.351 5.489 1.00 0.00 C ATOM 83 C HIS A 6 -19.044 2.537 6.675 1.00 0.00 C ATOM 84 O HIS A 6 -20.144 2.753 7.189 1.00 0.00 O ATOM 85 CB HIS A 6 -18.996 4.833 5.518 1.00 0.00 C ATOM 86 CG HIS A 6 -20.444 5.069 5.157 1.00 0.00 C ATOM 87 ND1 HIS A 6 -21.437 5.216 6.092 1.00 0.00 N ATOM 88 CD2 HIS A 6 -21.049 5.210 3.954 1.00 0.00 C ATOM 89 CE1 HIS A 6 -22.582 5.433 5.493 1.00 0.00 C ATOM 90 NE2 HIS A 6 -22.376 5.435 4.195 1.00 0.00 N ATOM 0 H HIS A 6 -19.427 3.130 3.611 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.442 3.384 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.821 5.231 6.518 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -18.372 5.407 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -20.573 5.155 2.986 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.533 5.584 5.982 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.091 5.581 3.482 1.00 0.00 H new ATOM 99 N HIS A 7 -18.270 1.553 7.023 1.00 0.00 N ATOM 100 CA HIS A 7 -18.466 0.693 8.172 1.00 0.00 C ATOM 101 C HIS A 7 -17.091 0.392 8.682 1.00 0.00 C ATOM 102 O HIS A 7 -16.395 -0.438 8.100 1.00 0.00 O ATOM 103 CB HIS A 7 -19.160 -0.642 7.808 1.00 0.00 C ATOM 104 CG HIS A 7 -20.563 -0.551 7.299 1.00 0.00 C ATOM 105 ND1 HIS A 7 -21.653 -0.914 8.047 1.00 0.00 N ATOM 106 CD2 HIS A 7 -21.048 -0.182 6.096 1.00 0.00 C ATOM 107 CE1 HIS A 7 -22.745 -0.772 7.332 1.00 0.00 C ATOM 108 NE2 HIS A 7 -22.405 -0.328 6.141 1.00 0.00 N ATOM 0 H HIS A 7 -17.436 1.308 6.489 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.107 1.190 8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.556 -1.145 7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -19.159 -1.278 8.693 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.470 0.165 5.252 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -23.751 -0.983 7.665 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -23.049 -0.126 5.377 1.00 0.00 H new ATOM 117 N HIS A 8 -16.675 1.096 9.740 1.00 0.00 N ATOM 118 CA HIS A 8 -15.290 1.018 10.249 1.00 0.00 C ATOM 119 C HIS A 8 -14.372 1.571 9.151 1.00 0.00 C ATOM 120 O HIS A 8 -14.834 2.343 8.293 1.00 0.00 O ATOM 121 CB HIS A 8 -14.878 -0.440 10.619 1.00 0.00 C ATOM 122 CG HIS A 8 -15.714 -1.087 11.684 1.00 0.00 C ATOM 123 ND1 HIS A 8 -15.373 -1.085 13.014 1.00 0.00 N ATOM 124 CD2 HIS A 8 -16.872 -1.784 11.603 1.00 0.00 C ATOM 125 CE1 HIS A 8 -16.273 -1.749 13.698 1.00 0.00 C ATOM 126 NE2 HIS A 8 -17.192 -2.182 12.866 1.00 0.00 N ATOM 0 H HIS A 8 -17.276 1.730 10.266 1.00 0.00 H new ATOM 0 HA HIS A 8 -15.207 1.600 11.167 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.925 -1.054 9.719 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.839 -0.435 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -17.437 -1.987 10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.261 -1.912 14.766 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -18.014 -2.729 13.124 1.00 0.00 H new ATOM 135 N LEU A 9 -13.103 1.241 9.174 1.00 0.00 N ATOM 136 CA LEU A 9 -12.234 1.655 8.087 1.00 0.00 C ATOM 137 C LEU A 9 -12.488 0.779 6.856 1.00 0.00 C ATOM 138 O LEU A 9 -13.132 -0.268 6.960 1.00 0.00 O ATOM 139 CB LEU A 9 -10.762 1.632 8.499 1.00 0.00 C ATOM 140 CG LEU A 9 -10.358 2.594 9.617 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.876 2.465 9.904 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.697 4.032 9.242 1.00 0.00 C ATOM 0 H LEU A 9 -12.652 0.700 9.912 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.469 2.688 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.510 0.619 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.157 1.855 7.620 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.918 2.333 10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.599 3.154 10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.653 1.444 10.213 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.309 2.704 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.401 4.699 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.163 4.306 8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.770 4.121 9.073 1.00 0.00 H new ATOM 154 N GLU A 10 -11.989 1.192 5.713 1.00 0.00 N ATOM 155 CA GLU A 10 -12.242 0.482 4.461 1.00 0.00 C ATOM 156 C GLU A 10 -11.462 -0.803 4.350 1.00 0.00 C ATOM 157 O GLU A 10 -10.265 -0.794 4.118 1.00 0.00 O ATOM 158 CB GLU A 10 -11.897 1.336 3.256 1.00 0.00 C ATOM 159 CG GLU A 10 -12.697 2.586 3.111 1.00 0.00 C ATOM 160 CD GLU A 10 -14.167 2.319 3.047 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.615 1.664 2.098 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.895 2.806 3.925 1.00 0.00 O ATOM 0 H GLU A 10 -11.401 2.020 5.615 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.308 0.254 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.842 1.604 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.027 0.735 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.487 3.248 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.386 3.110 2.207 1.00 0.00 H new ATOM 169 N GLU A 11 -12.124 -1.896 4.530 1.00 0.00 N ATOM 170 CA GLU A 11 -11.514 -3.149 4.324 1.00 0.00 C ATOM 171 C GLU A 11 -11.412 -3.473 2.860 1.00 0.00 C ATOM 172 O GLU A 11 -12.415 -3.479 2.120 1.00 0.00 O ATOM 173 CB GLU A 11 -12.214 -4.260 5.065 1.00 0.00 C ATOM 174 CG GLU A 11 -11.652 -5.620 4.719 1.00 0.00 C ATOM 175 CD GLU A 11 -12.238 -6.717 5.560 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.712 -6.988 6.653 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.249 -7.317 5.144 1.00 0.00 O ATOM 0 H GLU A 11 -13.100 -1.937 4.823 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.506 -3.072 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.122 -4.093 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.278 -4.238 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.844 -5.832 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.570 -5.606 4.849 1.00 0.00 H new ATOM 184 N PHE A 12 -10.220 -3.699 2.463 1.00 0.00 N ATOM 185 CA PHE A 12 -9.875 -4.113 1.159 1.00 0.00 C ATOM 186 C PHE A 12 -9.129 -5.398 1.214 1.00 0.00 C ATOM 187 O PHE A 12 -8.327 -5.579 2.086 1.00 0.00 O ATOM 188 CB PHE A 12 -8.943 -3.127 0.562 1.00 0.00 C ATOM 189 CG PHE A 12 -9.540 -1.858 0.043 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.040 -1.798 -1.244 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.585 -0.718 0.829 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.575 -0.628 -1.738 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.123 0.454 0.339 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.618 0.499 -0.947 1.00 0.00 C ATOM 0 H PHE A 12 -9.411 -3.594 3.075 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.793 -4.211 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.197 -2.868 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.415 -3.613 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.011 -2.678 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.195 -0.747 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.961 -0.595 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.156 1.335 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.038 1.416 -1.333 1.00 0.00 H new ATOM 204 N THR A 13 -9.370 -6.284 0.302 1.00 0.00 N ATOM 205 CA THR A 13 -8.563 -7.463 0.233 1.00 0.00 C ATOM 206 C THR A 13 -7.516 -7.199 -0.851 1.00 0.00 C ATOM 207 O THR A 13 -7.817 -6.494 -1.800 1.00 0.00 O ATOM 208 CB THR A 13 -9.405 -8.671 -0.129 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.605 -8.648 0.641 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.668 -9.927 0.216 1.00 0.00 C ATOM 0 H THR A 13 -10.109 -6.218 -0.398 1.00 0.00 H new ATOM 0 HA THR A 13 -8.097 -7.677 1.195 1.00 0.00 H new ATOM 0 HB THR A 13 -9.623 -8.643 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.156 -9.425 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.279 -10.791 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.731 -9.963 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.457 -9.943 1.285 1.00 0.00 H new ATOM 218 N ALA A 14 -6.316 -7.743 -0.722 1.00 0.00 N ATOM 219 CA ALA A 14 -5.222 -7.400 -1.651 1.00 0.00 C ATOM 220 C ALA A 14 -5.537 -7.732 -3.109 1.00 0.00 C ATOM 221 O ALA A 14 -5.198 -6.956 -4.006 1.00 0.00 O ATOM 222 CB ALA A 14 -3.890 -7.977 -1.213 1.00 0.00 C ATOM 0 H ALA A 14 -6.065 -8.416 0.002 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.132 -6.315 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.118 -7.696 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.630 -7.587 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.962 -9.064 -1.165 1.00 0.00 H new ATOM 228 N GLU A 15 -6.189 -8.867 -3.342 1.00 0.00 N ATOM 229 CA GLU A 15 -6.628 -9.242 -4.698 1.00 0.00 C ATOM 230 C GLU A 15 -7.567 -8.181 -5.259 1.00 0.00 C ATOM 231 O GLU A 15 -7.396 -7.696 -6.377 1.00 0.00 O ATOM 232 CB GLU A 15 -7.338 -10.595 -4.678 1.00 0.00 C ATOM 233 CG GLU A 15 -6.451 -11.747 -4.273 1.00 0.00 C ATOM 234 CD GLU A 15 -5.294 -11.916 -5.213 1.00 0.00 C ATOM 235 OE1 GLU A 15 -5.468 -12.554 -6.269 1.00 0.00 O ATOM 236 OE2 GLU A 15 -4.190 -11.414 -4.912 1.00 0.00 O ATOM 0 H GLU A 15 -6.428 -9.545 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.746 -9.316 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.182 -10.541 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.746 -10.795 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.077 -11.580 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.037 -12.666 -4.249 1.00 0.00 H new ATOM 243 N GLN A 16 -8.533 -7.811 -4.446 1.00 0.00 N ATOM 244 CA GLN A 16 -9.515 -6.799 -4.790 1.00 0.00 C ATOM 245 C GLN A 16 -8.864 -5.434 -4.965 1.00 0.00 C ATOM 246 O GLN A 16 -9.222 -4.680 -5.864 1.00 0.00 O ATOM 247 CB GLN A 16 -10.628 -6.726 -3.713 1.00 0.00 C ATOM 248 CG GLN A 16 -11.663 -7.864 -3.741 1.00 0.00 C ATOM 249 CD GLN A 16 -11.089 -9.265 -3.626 1.00 0.00 C ATOM 250 OE1 GLN A 16 -10.751 -9.893 -4.624 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.014 -9.773 -2.435 1.00 0.00 N ATOM 0 H GLN A 16 -8.662 -8.208 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.965 -7.086 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.156 -6.714 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.155 -5.778 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.370 -7.710 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.229 -7.796 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.304 -9.223 -1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.665 -10.723 -2.307 1.00 0.00 H new ATOM 260 N LEU A 17 -7.897 -5.151 -4.120 1.00 0.00 N ATOM 261 CA LEU A 17 -7.204 -3.877 -4.093 1.00 0.00 C ATOM 262 C LEU A 17 -6.350 -3.650 -5.337 1.00 0.00 C ATOM 263 O LEU A 17 -6.209 -2.524 -5.771 1.00 0.00 O ATOM 264 CB LEU A 17 -6.320 -3.782 -2.843 1.00 0.00 C ATOM 265 CG LEU A 17 -5.572 -2.461 -2.649 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.538 -1.321 -2.435 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.596 -2.552 -1.503 1.00 0.00 C ATOM 0 H LEU A 17 -7.562 -5.811 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.969 -3.101 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.945 -3.955 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.588 -4.589 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.006 -2.263 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.982 -0.393 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.191 -1.229 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.140 -1.516 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.079 -1.599 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.134 -2.785 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.868 -3.337 -1.706 1.00 0.00 H new ATOM 279 N SER A 18 -5.844 -4.739 -5.937 1.00 0.00 N ATOM 280 CA SER A 18 -4.876 -4.701 -7.078 1.00 0.00 C ATOM 281 C SER A 18 -5.429 -4.030 -8.383 1.00 0.00 C ATOM 282 O SER A 18 -4.852 -4.174 -9.466 1.00 0.00 O ATOM 283 CB SER A 18 -4.401 -6.128 -7.376 1.00 0.00 C ATOM 284 OG SER A 18 -3.771 -6.712 -6.232 1.00 0.00 O ATOM 0 H SER A 18 -6.089 -5.687 -5.651 1.00 0.00 H new ATOM 0 HA SER A 18 -4.048 -4.067 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.250 -6.741 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.702 -6.114 -8.212 1.00 0.00 H new ATOM 0 HG SER A 18 -4.420 -6.783 -5.501 1.00 0.00 H new ATOM 290 N GLN A 19 -6.488 -3.287 -8.255 1.00 0.00 N ATOM 291 CA GLN A 19 -7.118 -2.596 -9.363 1.00 0.00 C ATOM 292 C GLN A 19 -7.139 -1.096 -9.056 1.00 0.00 C ATOM 293 O GLN A 19 -7.306 -0.255 -9.940 1.00 0.00 O ATOM 294 CB GLN A 19 -8.554 -3.092 -9.479 1.00 0.00 C ATOM 295 CG GLN A 19 -8.669 -4.598 -9.587 1.00 0.00 C ATOM 296 CD GLN A 19 -10.091 -5.067 -9.514 1.00 0.00 C ATOM 297 OE1 GLN A 19 -10.772 -5.204 -10.523 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.562 -5.282 -8.320 1.00 0.00 N ATOM 0 H GLN A 19 -6.955 -3.135 -7.361 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.574 -2.781 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.117 -2.755 -8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.017 -2.637 -10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.228 -4.927 -10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.094 -5.062 -8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.962 -5.157 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.531 -5.576 -8.199 1.00 0.00 H new ATOM 307 N TYR A 20 -6.923 -0.781 -7.798 1.00 0.00 N ATOM 308 CA TYR A 20 -7.061 0.559 -7.267 1.00 0.00 C ATOM 309 C TYR A 20 -5.740 1.301 -7.232 1.00 0.00 C ATOM 310 O TYR A 20 -5.452 2.061 -6.321 1.00 0.00 O ATOM 311 CB TYR A 20 -7.734 0.466 -5.896 1.00 0.00 C ATOM 312 CG TYR A 20 -9.144 -0.063 -6.033 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.181 0.779 -6.392 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.429 -1.407 -5.854 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.462 0.301 -6.562 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.706 -1.894 -6.029 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.718 -1.037 -6.382 1.00 0.00 C ATOM 318 OH TYR A 20 -12.997 -1.523 -6.566 1.00 0.00 O ATOM 0 H TYR A 20 -6.639 -1.466 -7.098 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.692 1.153 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.155 -0.188 -5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.752 1.449 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.983 1.830 -6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.637 -2.085 -5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.261 0.974 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.910 -2.945 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.167 -1.643 -7.524 1.00 0.00 H new ATOM 328 N ASN A 21 -4.976 1.109 -8.288 1.00 0.00 N ATOM 329 CA ASN A 21 -3.702 1.794 -8.476 1.00 0.00 C ATOM 330 C ASN A 21 -3.922 3.143 -9.159 1.00 0.00 C ATOM 331 O ASN A 21 -2.992 3.930 -9.345 1.00 0.00 O ATOM 332 CB ASN A 21 -2.720 0.927 -9.290 1.00 0.00 C ATOM 333 CG ASN A 21 -3.277 0.481 -10.637 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.108 1.156 -11.251 1.00 0.00 O ATOM 335 ND2 ASN A 21 -2.832 -0.651 -11.099 1.00 0.00 N ATOM 0 H ASN A 21 -5.218 0.471 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.260 1.967 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.801 1.489 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.455 0.046 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.170 -1.005 -11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.145 -1.185 -10.566 1.00 0.00 H new ATOM 342 N GLY A 22 -5.158 3.375 -9.568 1.00 0.00 N ATOM 343 CA GLY A 22 -5.532 4.639 -10.142 1.00 0.00 C ATOM 344 C GLY A 22 -5.421 4.720 -11.648 1.00 0.00 C ATOM 345 O GLY A 22 -5.937 5.665 -12.242 1.00 0.00 O ATOM 0 H GLY A 22 -5.917 2.696 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.561 4.859 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.907 5.418 -9.705 1.00 0.00 H new ATOM 349 N THR A 23 -4.794 3.755 -12.284 1.00 0.00 N ATOM 350 CA THR A 23 -4.599 3.862 -13.718 1.00 0.00 C ATOM 351 C THR A 23 -5.702 3.170 -14.479 1.00 0.00 C ATOM 352 O THR A 23 -5.744 3.220 -15.712 1.00 0.00 O ATOM 353 CB THR A 23 -3.213 3.334 -14.176 1.00 0.00 C ATOM 354 OG1 THR A 23 -2.940 3.747 -15.532 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.129 1.812 -14.107 1.00 0.00 C ATOM 0 H THR A 23 -4.420 2.911 -11.850 1.00 0.00 H new ATOM 0 HA THR A 23 -4.632 4.927 -13.948 1.00 0.00 H new ATOM 0 HB THR A 23 -2.475 3.756 -13.494 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.767 3.714 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.142 1.487 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.295 1.485 -13.081 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.890 1.376 -14.755 1.00 0.00 H new ATOM 363 N ASP A 24 -6.605 2.539 -13.769 1.00 0.00 N ATOM 364 CA ASP A 24 -7.681 1.867 -14.424 1.00 0.00 C ATOM 365 C ASP A 24 -8.742 2.920 -14.728 1.00 0.00 C ATOM 366 O ASP A 24 -8.544 4.104 -14.410 1.00 0.00 O ATOM 367 CB ASP A 24 -8.234 0.753 -13.542 1.00 0.00 C ATOM 368 CG ASP A 24 -9.080 -0.267 -14.307 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.253 0.015 -14.629 1.00 0.00 O ATOM 370 OD2 ASP A 24 -8.572 -1.358 -14.610 1.00 0.00 O ATOM 0 H ASP A 24 -6.611 2.481 -12.751 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.346 1.393 -15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.404 0.236 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.839 1.194 -12.750 1.00 0.00 H new ATOM 375 N GLU A 25 -9.831 2.541 -15.308 1.00 0.00 N ATOM 376 CA GLU A 25 -10.831 3.481 -15.662 1.00 0.00 C ATOM 377 C GLU A 25 -11.680 3.885 -14.472 1.00 0.00 C ATOM 378 O GLU A 25 -12.698 3.253 -14.154 1.00 0.00 O ATOM 379 CB GLU A 25 -11.654 3.031 -16.866 1.00 0.00 C ATOM 380 CG GLU A 25 -12.224 1.636 -16.762 1.00 0.00 C ATOM 381 CD GLU A 25 -13.087 1.304 -17.938 1.00 0.00 C ATOM 382 OE1 GLU A 25 -12.562 0.823 -18.959 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.307 1.536 -17.869 1.00 0.00 O ATOM 0 H GLU A 25 -10.049 1.574 -15.548 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.316 4.386 -15.983 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.475 3.733 -17.009 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.028 3.086 -17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.410 0.914 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.808 1.548 -15.846 1.00 0.00 H new ATOM 390 N SER A 26 -11.150 4.852 -13.746 1.00 0.00 N ATOM 391 CA SER A 26 -11.831 5.519 -12.659 1.00 0.00 C ATOM 392 C SER A 26 -11.837 4.655 -11.406 1.00 0.00 C ATOM 393 O SER A 26 -12.854 4.066 -11.013 1.00 0.00 O ATOM 394 CB SER A 26 -13.244 6.002 -13.079 1.00 0.00 C ATOM 395 OG SER A 26 -13.923 6.714 -12.038 1.00 0.00 O ATOM 0 H SER A 26 -10.205 5.203 -13.904 1.00 0.00 H new ATOM 0 HA SER A 26 -11.273 6.421 -12.408 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.157 6.645 -13.955 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.844 5.141 -13.374 1.00 0.00 H new ATOM 0 HG SER A 26 -14.806 6.996 -12.357 1.00 0.00 H new ATOM 401 N LYS A 27 -10.662 4.505 -10.853 1.00 0.00 N ATOM 402 CA LYS A 27 -10.440 3.763 -9.639 1.00 0.00 C ATOM 403 C LYS A 27 -9.778 4.624 -8.586 1.00 0.00 C ATOM 404 O LYS A 27 -8.785 5.304 -8.877 1.00 0.00 O ATOM 405 CB LYS A 27 -9.553 2.536 -9.914 1.00 0.00 C ATOM 406 CG LYS A 27 -10.275 1.287 -10.408 1.00 0.00 C ATOM 407 CD LYS A 27 -11.133 1.503 -11.630 1.00 0.00 C ATOM 408 CE LYS A 27 -11.846 0.238 -12.003 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.566 0.361 -13.278 1.00 0.00 N ATOM 0 H LYS A 27 -9.810 4.906 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.413 3.438 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.802 2.814 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.020 2.285 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.535 0.519 -10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.901 0.902 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.859 2.293 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.513 1.837 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.125 -0.576 -12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.550 -0.026 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.428 -0.220 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.824 1.356 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.956 0.034 -14.054 1.00 0.00 H new ATOM 423 N PRO A 28 -10.344 4.651 -7.365 1.00 0.00 N ATOM 424 CA PRO A 28 -9.711 5.298 -6.206 1.00 0.00 C ATOM 425 C PRO A 28 -8.327 4.685 -5.973 1.00 0.00 C ATOM 426 O PRO A 28 -8.110 3.522 -6.295 1.00 0.00 O ATOM 427 CB PRO A 28 -10.647 4.948 -5.050 1.00 0.00 C ATOM 428 CG PRO A 28 -11.962 4.692 -5.688 1.00 0.00 C ATOM 429 CD PRO A 28 -11.657 4.077 -7.019 1.00 0.00 C ATOM 0 HA PRO A 28 -9.571 6.372 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.294 4.071 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.709 5.765 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.569 4.023 -5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.527 5.617 -5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.618 2.989 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.414 4.329 -7.761 1.00 0.00 H new ATOM 437 N ILE A 29 -7.413 5.440 -5.433 1.00 0.00 N ATOM 438 CA ILE A 29 -6.051 4.973 -5.326 1.00 0.00 C ATOM 439 C ILE A 29 -5.726 4.681 -3.864 1.00 0.00 C ATOM 440 O ILE A 29 -5.808 5.583 -3.004 1.00 0.00 O ATOM 441 CB ILE A 29 -5.073 6.035 -5.870 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.590 6.584 -7.194 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.722 5.388 -6.115 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.737 7.663 -7.772 1.00 0.00 C ATOM 0 H ILE A 29 -7.579 6.375 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.944 4.063 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.984 6.843 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.663 5.767 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.599 6.970 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.026 6.133 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.338 4.982 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.830 4.583 -6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.169 8.003 -8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.684 8.498 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.734 7.277 -7.952 1.00 0.00 H new ATOM 456 N TYR A 30 -5.357 3.448 -3.572 1.00 0.00 N ATOM 457 CA TYR A 30 -5.112 3.041 -2.201 1.00 0.00 C ATOM 458 C TYR A 30 -3.867 2.189 -2.030 1.00 0.00 C ATOM 459 O TYR A 30 -3.708 1.160 -2.674 1.00 0.00 O ATOM 460 CB TYR A 30 -6.345 2.348 -1.611 1.00 0.00 C ATOM 461 CG TYR A 30 -7.475 3.302 -1.362 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.393 4.194 -0.319 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.601 3.336 -2.166 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.376 5.095 -0.077 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.610 4.247 -1.917 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.481 5.125 -0.868 1.00 0.00 C ATOM 467 OH TYR A 30 -10.451 6.058 -0.622 1.00 0.00 O ATOM 0 H TYR A 30 -5.220 2.712 -4.265 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.920 3.957 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.678 1.565 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.071 1.861 -0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.525 4.176 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.692 2.647 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.281 5.789 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.491 4.269 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.040 6.944 -0.540 1.00 0.00 H new ATOM 477 N VAL A 31 -3.025 2.603 -1.097 1.00 0.00 N ATOM 478 CA VAL A 31 -1.758 1.930 -0.819 1.00 0.00 C ATOM 479 C VAL A 31 -1.829 1.316 0.538 1.00 0.00 C ATOM 480 O VAL A 31 -2.304 1.948 1.483 1.00 0.00 O ATOM 481 CB VAL A 31 -0.563 2.935 -0.828 1.00 0.00 C ATOM 482 CG1 VAL A 31 0.761 2.247 -0.515 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.464 3.599 -2.148 1.00 0.00 C ATOM 0 H VAL A 31 -3.198 3.417 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.596 1.180 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.757 3.674 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.566 2.982 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.708 1.789 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.957 1.478 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.373 4.297 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.305 2.848 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.387 4.141 -2.353 1.00 0.00 H new ATOM 493 N ALA A 32 -1.372 0.113 0.651 1.00 0.00 N ATOM 494 CA ALA A 32 -1.386 -0.549 1.902 1.00 0.00 C ATOM 495 C ALA A 32 0.018 -0.804 2.386 1.00 0.00 C ATOM 496 O ALA A 32 0.890 -1.229 1.614 1.00 0.00 O ATOM 497 CB ALA A 32 -2.173 -1.822 1.816 1.00 0.00 C ATOM 0 H ALA A 32 -0.982 -0.431 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.875 0.098 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.172 -2.317 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.199 -1.597 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.721 -2.480 1.074 1.00 0.00 H new ATOM 503 N ILE A 33 0.249 -0.505 3.638 1.00 0.00 N ATOM 504 CA ILE A 33 1.526 -0.744 4.261 1.00 0.00 C ATOM 505 C ILE A 33 1.286 -1.483 5.554 1.00 0.00 C ATOM 506 O ILE A 33 0.652 -0.939 6.472 1.00 0.00 O ATOM 507 CB ILE A 33 2.270 0.576 4.586 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.392 1.464 3.354 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.648 0.288 5.157 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.149 2.741 3.621 1.00 0.00 C ATOM 0 H ILE A 33 -0.446 -0.087 4.257 1.00 0.00 H new ATOM 0 HA ILE A 33 2.142 -1.319 3.570 1.00 0.00 H new ATOM 0 HB ILE A 33 1.681 1.109 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.894 0.909 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.395 1.709 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.154 1.228 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.548 -0.295 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.232 -0.276 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.202 3.331 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.635 3.314 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.158 2.502 3.958 1.00 0.00 H new ATOM 522 N LYS A 34 1.741 -2.733 5.605 1.00 0.00 N ATOM 523 CA LYS A 34 1.618 -3.618 6.777 1.00 0.00 C ATOM 524 C LYS A 34 0.099 -3.896 7.037 1.00 0.00 C ATOM 525 O LYS A 34 -0.302 -4.416 8.063 1.00 0.00 O ATOM 526 CB LYS A 34 2.332 -2.958 8.010 1.00 0.00 C ATOM 527 CG LYS A 34 2.946 -3.922 9.062 1.00 0.00 C ATOM 528 CD LYS A 34 1.933 -4.801 9.771 1.00 0.00 C ATOM 529 CE LYS A 34 2.580 -5.719 10.791 1.00 0.00 C ATOM 530 NZ LYS A 34 3.574 -6.621 10.182 1.00 0.00 N ATOM 0 H LYS A 34 2.217 -3.175 4.819 1.00 0.00 H new ATOM 0 HA LYS A 34 2.108 -4.575 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.126 -2.312 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.611 -2.317 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.680 -4.559 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.483 -3.334 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.195 -4.172 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.397 -5.400 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.062 -5.119 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.809 -6.311 11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.839 -7.358 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.167 -7.065 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.419 -6.077 9.915 1.00 0.00 H new ATOM 544 N GLY A 35 -0.721 -3.575 6.061 1.00 0.00 N ATOM 545 CA GLY A 35 -2.131 -3.771 6.210 1.00 0.00 C ATOM 546 C GLY A 35 -2.911 -2.483 6.288 1.00 0.00 C ATOM 547 O GLY A 35 -4.102 -2.486 6.079 1.00 0.00 O ATOM 0 H GLY A 35 -0.432 -3.181 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.499 -4.359 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.316 -4.354 7.112 1.00 0.00 H new ATOM 551 N ARG A 36 -2.253 -1.387 6.585 1.00 0.00 N ATOM 552 CA ARG A 36 -2.934 -0.128 6.723 1.00 0.00 C ATOM 553 C ARG A 36 -3.071 0.514 5.349 1.00 0.00 C ATOM 554 O ARG A 36 -2.077 0.693 4.656 1.00 0.00 O ATOM 555 CB ARG A 36 -2.125 0.783 7.628 1.00 0.00 C ATOM 556 CG ARG A 36 -1.645 0.116 8.900 1.00 0.00 C ATOM 557 CD ARG A 36 -0.872 1.079 9.784 1.00 0.00 C ATOM 558 NE ARG A 36 0.212 1.764 9.062 1.00 0.00 N ATOM 559 CZ ARG A 36 1.503 1.395 9.052 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.902 0.265 9.638 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.391 2.152 8.441 1.00 0.00 N ATOM 0 H ARG A 36 -1.245 -1.345 6.735 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.922 -0.286 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.261 1.154 7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.732 1.650 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.500 -0.276 9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.012 -0.734 8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.558 1.822 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.453 0.534 10.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.039 2.592 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.222 -0.335 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.887 0.001 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.096 3.012 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.373 1.878 8.430 1.00 0.00 H new ATOM 575 N VAL A 37 -4.283 0.836 4.961 1.00 0.00 N ATOM 576 CA VAL A 37 -4.544 1.450 3.667 1.00 0.00 C ATOM 577 C VAL A 37 -4.657 2.964 3.760 1.00 0.00 C ATOM 578 O VAL A 37 -5.526 3.499 4.443 1.00 0.00 O ATOM 579 CB VAL A 37 -5.794 0.844 2.965 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.196 1.675 1.776 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.475 -0.539 2.481 1.00 0.00 C ATOM 0 H VAL A 37 -5.118 0.683 5.527 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.677 1.221 3.047 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.611 0.823 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.072 1.232 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.434 2.687 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.374 1.709 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.350 -0.963 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.647 -0.495 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.195 -1.165 3.328 1.00 0.00 H new ATOM 591 N PHE A 38 -3.782 3.622 3.061 1.00 0.00 N ATOM 592 CA PHE A 38 -3.702 5.066 3.007 1.00 0.00 C ATOM 593 C PHE A 38 -4.425 5.554 1.767 1.00 0.00 C ATOM 594 O PHE A 38 -4.378 4.888 0.718 1.00 0.00 O ATOM 595 CB PHE A 38 -2.241 5.480 2.866 1.00 0.00 C ATOM 596 CG PHE A 38 -1.314 5.039 3.969 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.916 3.715 4.079 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.831 5.949 4.882 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.061 3.316 5.079 1.00 0.00 C ATOM 600 CE2 PHE A 38 0.028 5.550 5.885 1.00 0.00 C ATOM 601 CZ PHE A 38 0.413 4.233 5.983 1.00 0.00 C ATOM 0 H PHE A 38 -3.075 3.159 2.489 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.143 5.485 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.863 5.086 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.198 6.567 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.283 2.988 3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.127 6.985 4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.238 2.281 5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.399 6.274 6.595 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.086 3.922 6.768 1.00 0.00 H new ATOM 611 N ASP A 39 -5.076 6.696 1.861 1.00 0.00 N ATOM 612 CA ASP A 39 -5.723 7.275 0.688 1.00 0.00 C ATOM 613 C ASP A 39 -4.711 8.085 -0.083 1.00 0.00 C ATOM 614 O ASP A 39 -4.252 9.125 0.383 1.00 0.00 O ATOM 615 CB ASP A 39 -6.916 8.175 1.057 1.00 0.00 C ATOM 616 CG ASP A 39 -7.642 8.740 -0.184 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.151 9.721 -0.792 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.723 8.201 -0.558 1.00 0.00 O ATOM 0 H ASP A 39 -5.174 7.238 2.719 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.108 6.453 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.624 7.605 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.565 9.001 1.675 1.00 0.00 H new ATOM 623 N VAL A 40 -4.335 7.600 -1.230 1.00 0.00 N ATOM 624 CA VAL A 40 -3.424 8.328 -2.083 1.00 0.00 C ATOM 625 C VAL A 40 -4.137 8.816 -3.320 1.00 0.00 C ATOM 626 O VAL A 40 -3.511 9.236 -4.288 1.00 0.00 O ATOM 627 CB VAL A 40 -2.158 7.523 -2.466 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.254 7.334 -1.272 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.529 6.187 -3.030 1.00 0.00 C ATOM 0 H VAL A 40 -4.642 6.702 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.076 9.182 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.623 8.094 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.373 6.766 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.946 8.308 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.789 6.792 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.624 5.639 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.093 5.623 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.140 6.326 -3.922 1.00 0.00 H new ATOM 639 N THR A 41 -5.459 8.805 -3.258 1.00 0.00 N ATOM 640 CA THR A 41 -6.287 9.293 -4.338 1.00 0.00 C ATOM 641 C THR A 41 -6.058 10.804 -4.485 1.00 0.00 C ATOM 642 O THR A 41 -6.092 11.360 -5.589 1.00 0.00 O ATOM 643 CB THR A 41 -7.780 9.014 -4.039 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.954 7.620 -3.731 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.651 9.362 -5.240 1.00 0.00 C ATOM 0 H THR A 41 -5.984 8.457 -2.456 1.00 0.00 H new ATOM 0 HA THR A 41 -6.021 8.782 -5.263 1.00 0.00 H new ATOM 0 HB THR A 41 -8.080 9.632 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.199 7.522 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.695 9.157 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.534 10.419 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.348 8.760 -6.096 1.00 0.00 H new ATOM 653 N THR A 42 -5.790 11.447 -3.355 1.00 0.00 N ATOM 654 CA THR A 42 -5.495 12.863 -3.312 1.00 0.00 C ATOM 655 C THR A 42 -4.086 13.143 -3.918 1.00 0.00 C ATOM 656 O THR A 42 -3.804 14.239 -4.397 1.00 0.00 O ATOM 657 CB THR A 42 -5.605 13.412 -1.848 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.392 14.828 -1.814 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.611 12.724 -0.912 1.00 0.00 C ATOM 0 H THR A 42 -5.773 10.993 -2.442 1.00 0.00 H new ATOM 0 HA THR A 42 -6.234 13.389 -3.917 1.00 0.00 H new ATOM 0 HB THR A 42 -6.615 13.193 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.467 15.148 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.717 13.131 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.811 11.653 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.596 12.897 -1.268 1.00 0.00 H new ATOM 667 N GLY A 43 -3.232 12.125 -3.919 1.00 0.00 N ATOM 668 CA GLY A 43 -1.898 12.249 -4.480 1.00 0.00 C ATOM 669 C GLY A 43 -1.823 11.514 -5.793 1.00 0.00 C ATOM 670 O GLY A 43 -0.814 10.879 -6.123 1.00 0.00 O ATOM 0 H GLY A 43 -3.444 11.204 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.653 13.301 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.163 11.845 -3.784 1.00 0.00 H new ATOM 674 N LYS A 44 -2.900 11.628 -6.553 1.00 0.00 N ATOM 675 CA LYS A 44 -3.094 10.928 -7.815 1.00 0.00 C ATOM 676 C LYS A 44 -1.940 11.171 -8.785 1.00 0.00 C ATOM 677 O LYS A 44 -1.576 10.281 -9.549 1.00 0.00 O ATOM 678 CB LYS A 44 -4.390 11.394 -8.454 1.00 0.00 C ATOM 679 CG LYS A 44 -4.780 10.650 -9.716 1.00 0.00 C ATOM 680 CD LYS A 44 -5.934 11.337 -10.367 1.00 0.00 C ATOM 681 CE LYS A 44 -6.377 10.658 -11.647 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.517 11.370 -12.268 1.00 0.00 N ATOM 0 H LYS A 44 -3.687 12.227 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.134 9.860 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.195 11.293 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.303 12.455 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.934 10.609 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.045 9.620 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.771 11.370 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.660 12.369 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.543 10.621 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.661 9.627 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.797 10.881 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.320 11.384 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.236 12.346 -12.492 1.00 0.00 H new ATOM 696 N SER A 45 -1.378 12.361 -8.740 1.00 0.00 N ATOM 697 CA SER A 45 -0.281 12.748 -9.608 1.00 0.00 C ATOM 698 C SER A 45 0.919 11.795 -9.473 1.00 0.00 C ATOM 699 O SER A 45 1.562 11.455 -10.462 1.00 0.00 O ATOM 700 CB SER A 45 0.134 14.185 -9.292 1.00 0.00 C ATOM 701 OG SER A 45 -0.982 15.066 -9.424 1.00 0.00 O ATOM 0 H SER A 45 -1.671 13.095 -8.095 1.00 0.00 H new ATOM 0 HA SER A 45 -0.623 12.686 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.532 14.241 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.933 14.496 -9.965 1.00 0.00 H new ATOM 0 HG SER A 45 -0.702 15.982 -9.217 1.00 0.00 H new ATOM 707 N PHE A 46 1.186 11.338 -8.267 1.00 0.00 N ATOM 708 CA PHE A 46 2.313 10.448 -8.040 1.00 0.00 C ATOM 709 C PHE A 46 1.903 9.000 -8.217 1.00 0.00 C ATOM 710 O PHE A 46 2.648 8.188 -8.770 1.00 0.00 O ATOM 711 CB PHE A 46 2.880 10.617 -6.624 1.00 0.00 C ATOM 712 CG PHE A 46 3.411 11.981 -6.301 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.690 12.345 -6.681 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.638 12.892 -5.598 1.00 0.00 C ATOM 715 CE1 PHE A 46 5.190 13.591 -6.368 1.00 0.00 C ATOM 716 CE2 PHE A 46 3.133 14.139 -5.284 1.00 0.00 C ATOM 717 CZ PHE A 46 4.412 14.490 -5.669 1.00 0.00 C ATOM 0 H PHE A 46 0.645 11.564 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 46 3.076 10.711 -8.773 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.097 10.371 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.681 9.891 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.304 11.645 -7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.638 12.622 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.191 13.863 -6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.521 14.841 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.802 15.467 -5.423 1.00 0.00 H new ATOM 727 N TYR A 47 0.722 8.682 -7.747 1.00 0.00 N ATOM 728 CA TYR A 47 0.273 7.316 -7.715 1.00 0.00 C ATOM 729 C TYR A 47 -0.530 6.859 -8.954 1.00 0.00 C ATOM 730 O TYR A 47 -0.102 5.931 -9.650 1.00 0.00 O ATOM 731 CB TYR A 47 -0.477 7.059 -6.406 1.00 0.00 C ATOM 732 CG TYR A 47 0.403 7.293 -5.191 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.530 8.560 -4.638 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.127 6.259 -4.618 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.348 8.792 -3.564 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.946 6.484 -3.529 1.00 0.00 C ATOM 737 CZ TYR A 47 2.053 7.758 -3.010 1.00 0.00 C ATOM 738 OH TYR A 47 2.874 7.997 -1.943 1.00 0.00 O ATOM 0 H TYR A 47 0.052 9.357 -7.379 1.00 0.00 H new ATOM 0 HA TYR A 47 1.167 6.693 -7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.349 7.711 -6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.846 6.033 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.028 9.381 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.049 5.263 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.436 9.788 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.499 5.668 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 47 2.848 7.231 -1.332 1.00 0.00 H new ATOM 748 N GLY A 48 -1.640 7.520 -9.270 1.00 0.00 N ATOM 749 CA GLY A 48 -2.516 6.995 -10.312 1.00 0.00 C ATOM 750 C GLY A 48 -2.405 7.700 -11.641 1.00 0.00 C ATOM 751 O GLY A 48 -3.363 7.732 -12.410 1.00 0.00 O ATOM 0 H GLY A 48 -1.947 8.391 -8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.293 5.938 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.548 7.059 -9.967 1.00 0.00 H new ATOM 755 N SER A 49 -1.261 8.258 -11.927 1.00 0.00 N ATOM 756 CA SER A 49 -1.083 8.977 -13.178 1.00 0.00 C ATOM 757 C SER A 49 0.130 8.450 -13.947 1.00 0.00 C ATOM 758 O SER A 49 0.605 9.084 -14.896 1.00 0.00 O ATOM 759 CB SER A 49 -0.920 10.464 -12.882 1.00 0.00 C ATOM 760 OG SER A 49 -2.025 10.949 -12.118 1.00 0.00 O ATOM 0 H SER A 49 -0.439 8.235 -11.323 1.00 0.00 H new ATOM 0 HA SER A 49 -1.963 8.823 -13.803 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.008 10.632 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.845 11.020 -13.816 1.00 0.00 H new ATOM 0 HG SER A 49 -1.969 10.600 -11.204 1.00 0.00 H new ATOM 766 N GLY A 50 0.584 7.264 -13.581 1.00 0.00 N ATOM 767 CA GLY A 50 1.784 6.724 -14.181 1.00 0.00 C ATOM 768 C GLY A 50 2.991 7.429 -13.622 1.00 0.00 C ATOM 769 O GLY A 50 3.837 7.939 -14.362 1.00 0.00 O ATOM 0 H GLY A 50 0.145 6.666 -12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.852 5.654 -13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.748 6.846 -15.263 1.00 0.00 H new ATOM 773 N GLY A 51 3.063 7.457 -12.320 1.00 0.00 N ATOM 774 CA GLY A 51 4.099 8.163 -11.636 1.00 0.00 C ATOM 775 C GLY A 51 5.110 7.224 -11.048 1.00 0.00 C ATOM 776 O GLY A 51 5.070 6.021 -11.299 1.00 0.00 O ATOM 0 H GLY A 51 2.399 6.987 -11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.594 8.845 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.664 8.773 -10.844 1.00 0.00 H new ATOM 780 N ASP A 52 5.981 7.751 -10.237 1.00 0.00 N ATOM 781 CA ASP A 52 7.090 6.991 -9.661 1.00 0.00 C ATOM 782 C ASP A 52 6.611 5.973 -8.615 1.00 0.00 C ATOM 783 O ASP A 52 7.312 5.010 -8.297 1.00 0.00 O ATOM 784 CB ASP A 52 8.099 7.966 -9.037 1.00 0.00 C ATOM 785 CG ASP A 52 9.358 7.294 -8.542 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.276 7.080 -9.354 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.470 6.997 -7.348 1.00 0.00 O ATOM 0 H ASP A 52 5.955 8.728 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 52 7.566 6.424 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.366 8.722 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.623 8.486 -8.206 1.00 0.00 H new ATOM 792 N TYR A 53 5.394 6.151 -8.134 1.00 0.00 N ATOM 793 CA TYR A 53 4.877 5.324 -7.057 1.00 0.00 C ATOM 794 C TYR A 53 3.646 4.538 -7.495 1.00 0.00 C ATOM 795 O TYR A 53 2.901 4.020 -6.670 1.00 0.00 O ATOM 796 CB TYR A 53 4.562 6.192 -5.833 1.00 0.00 C ATOM 797 CG TYR A 53 5.775 6.901 -5.266 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.601 6.271 -4.346 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.101 8.194 -5.661 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.716 6.906 -3.836 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.212 8.836 -5.153 1.00 0.00 C ATOM 802 CZ TYR A 53 8.016 8.187 -4.242 1.00 0.00 C ATOM 803 OH TYR A 53 9.138 8.817 -3.746 1.00 0.00 O ATOM 0 H TYR A 53 4.744 6.861 -8.472 1.00 0.00 H new ATOM 0 HA TYR A 53 5.645 4.599 -6.788 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.812 6.934 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.122 5.566 -5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.368 5.267 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.474 8.704 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.350 6.400 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.450 9.841 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 53 9.207 9.715 -4.133 1.00 0.00 H new ATOM 813 N SER A 54 3.485 4.404 -8.786 1.00 0.00 N ATOM 814 CA SER A 54 2.361 3.708 -9.385 1.00 0.00 C ATOM 815 C SER A 54 2.204 2.243 -8.981 1.00 0.00 C ATOM 816 O SER A 54 1.093 1.722 -8.971 1.00 0.00 O ATOM 817 CB SER A 54 2.431 3.840 -10.873 1.00 0.00 C ATOM 818 OG SER A 54 2.052 5.144 -11.255 1.00 0.00 O ATOM 0 H SER A 54 4.141 4.781 -9.470 1.00 0.00 H new ATOM 0 HA SER A 54 1.469 4.194 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.443 3.629 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.775 3.108 -11.344 1.00 0.00 H new ATOM 0 HG SER A 54 1.286 5.433 -10.716 1.00 0.00 H new ATOM 824 N MET A 55 3.275 1.587 -8.645 1.00 0.00 N ATOM 825 CA MET A 55 3.170 0.185 -8.286 1.00 0.00 C ATOM 826 C MET A 55 2.747 0.012 -6.860 1.00 0.00 C ATOM 827 O MET A 55 2.162 -1.003 -6.497 1.00 0.00 O ATOM 828 CB MET A 55 4.446 -0.550 -8.591 1.00 0.00 C ATOM 829 CG MET A 55 4.772 -0.475 -10.047 1.00 0.00 C ATOM 830 SD MET A 55 3.451 -1.170 -11.071 1.00 0.00 S ATOM 831 CE MET A 55 4.140 -0.954 -12.706 1.00 0.00 C ATOM 0 H MET A 55 4.216 1.980 -8.609 1.00 0.00 H new ATOM 0 HA MET A 55 2.387 -0.259 -8.901 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.263 -0.124 -8.009 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.350 -1.593 -8.289 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.941 0.565 -10.328 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.701 -1.012 -10.239 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.440 -1.336 -13.449 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.320 0.106 -12.888 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.081 -1.500 -12.779 1.00 0.00 H new ATOM 841 N PHE A 56 3.008 1.022 -6.070 1.00 0.00 N ATOM 842 CA PHE A 56 2.635 1.029 -4.671 1.00 0.00 C ATOM 843 C PHE A 56 1.181 1.452 -4.571 1.00 0.00 C ATOM 844 O PHE A 56 0.462 1.039 -3.686 1.00 0.00 O ATOM 845 CB PHE A 56 3.492 2.066 -3.912 1.00 0.00 C ATOM 846 CG PHE A 56 4.987 1.874 -4.015 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.693 2.372 -5.099 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.679 1.207 -3.030 1.00 0.00 C ATOM 849 CE1 PHE A 56 7.058 2.205 -5.193 1.00 0.00 C ATOM 850 CE2 PHE A 56 7.043 1.036 -3.115 1.00 0.00 C ATOM 851 CZ PHE A 56 7.736 1.536 -4.197 1.00 0.00 C ATOM 0 H PHE A 56 3.487 1.869 -6.377 1.00 0.00 H new ATOM 0 HA PHE A 56 2.788 0.038 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.244 3.060 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.212 2.042 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.166 2.898 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.145 0.812 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.594 2.597 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.570 0.510 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.806 1.404 -4.264 1.00 0.00 H new ATOM 861 N ALA A 57 0.781 2.241 -5.558 1.00 0.00 N ATOM 862 CA ALA A 57 -0.504 2.938 -5.647 1.00 0.00 C ATOM 863 C ALA A 57 -1.751 2.105 -5.386 1.00 0.00 C ATOM 864 O ALA A 57 -2.739 2.648 -4.934 1.00 0.00 O ATOM 865 CB ALA A 57 -0.619 3.601 -6.996 1.00 0.00 C ATOM 0 H ALA A 57 1.375 2.425 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.482 3.658 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.575 4.121 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.193 4.317 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.559 2.845 -7.779 1.00 0.00 H new ATOM 871 N GLY A 58 -1.729 0.828 -5.672 1.00 0.00 N ATOM 872 CA GLY A 58 -2.955 0.081 -5.498 1.00 0.00 C ATOM 873 C GLY A 58 -2.766 -1.310 -5.008 1.00 0.00 C ATOM 874 O GLY A 58 -3.568 -2.176 -5.296 1.00 0.00 O ATOM 0 H GLY A 58 -0.923 0.302 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.595 0.616 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.484 0.048 -6.451 1.00 0.00 H new ATOM 878 N LYS A 59 -1.701 -1.566 -4.327 1.00 0.00 N ATOM 879 CA LYS A 59 -1.484 -2.814 -3.790 1.00 0.00 C ATOM 880 C LYS A 59 -0.743 -2.632 -2.487 1.00 0.00 C ATOM 881 O LYS A 59 -0.181 -1.561 -2.249 1.00 0.00 O ATOM 882 CB LYS A 59 -0.664 -3.545 -4.792 1.00 0.00 C ATOM 883 CG LYS A 59 -0.373 -4.951 -4.476 1.00 0.00 C ATOM 884 CD LYS A 59 0.384 -5.555 -5.599 1.00 0.00 C ATOM 885 CE LYS A 59 -0.462 -5.715 -6.859 1.00 0.00 C ATOM 886 NZ LYS A 59 0.335 -6.198 -8.002 1.00 0.00 N ATOM 0 H LYS A 59 -0.963 -0.888 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.399 -3.368 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.178 -3.507 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.281 -3.017 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.205 -5.017 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.301 -5.499 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.250 -4.933 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.763 -6.531 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.275 -6.414 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.918 -4.758 -7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.278 -6.293 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.096 -5.519 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.750 -7.123 -7.770 1.00 0.00 H new ATOM 900 N ASP A 60 -0.764 -3.629 -1.628 1.00 0.00 N ATOM 901 CA ASP A 60 0.038 -3.559 -0.429 1.00 0.00 C ATOM 902 C ASP A 60 1.472 -3.636 -0.859 1.00 0.00 C ATOM 903 O ASP A 60 1.857 -4.530 -1.617 1.00 0.00 O ATOM 904 CB ASP A 60 -0.288 -4.682 0.547 1.00 0.00 C ATOM 905 CG ASP A 60 0.509 -4.579 1.851 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.708 -4.891 1.851 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.070 -4.192 2.892 1.00 0.00 O ATOM 0 H ASP A 60 -1.316 -4.480 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.170 -2.629 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.354 -4.663 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.080 -5.642 0.073 1.00 0.00 H new ATOM 912 N ALA A 61 2.239 -2.703 -0.435 1.00 0.00 N ATOM 913 CA ALA A 61 3.581 -2.601 -0.886 1.00 0.00 C ATOM 914 C ALA A 61 4.576 -2.779 0.247 1.00 0.00 C ATOM 915 O ALA A 61 5.666 -2.233 0.182 1.00 0.00 O ATOM 916 CB ALA A 61 3.756 -1.247 -1.540 1.00 0.00 C ATOM 0 H ALA A 61 1.958 -1.987 0.234 1.00 0.00 H new ATOM 0 HA ALA A 61 3.779 -3.399 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.781 -1.144 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.069 -1.158 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.543 -0.462 -0.814 1.00 0.00 H new ATOM 922 N SER A 62 4.248 -3.613 1.230 1.00 0.00 N ATOM 923 CA SER A 62 5.119 -3.793 2.403 1.00 0.00 C ATOM 924 C SER A 62 6.575 -4.181 2.018 1.00 0.00 C ATOM 925 O SER A 62 7.529 -3.514 2.428 1.00 0.00 O ATOM 926 CB SER A 62 4.518 -4.809 3.370 1.00 0.00 C ATOM 927 OG SER A 62 3.234 -4.386 3.820 1.00 0.00 O ATOM 0 H SER A 62 3.396 -4.173 1.245 1.00 0.00 H new ATOM 0 HA SER A 62 5.179 -2.827 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.434 -5.779 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.182 -4.941 4.224 1.00 0.00 H new ATOM 0 HG SER A 62 2.539 -4.865 3.322 1.00 0.00 H new ATOM 933 N ARG A 63 6.750 -5.219 1.217 1.00 0.00 N ATOM 934 CA ARG A 63 8.064 -5.596 0.779 1.00 0.00 C ATOM 935 C ARG A 63 8.640 -4.614 -0.249 1.00 0.00 C ATOM 936 O ARG A 63 9.834 -4.362 -0.263 1.00 0.00 O ATOM 937 CB ARG A 63 8.054 -7.025 0.254 1.00 0.00 C ATOM 938 CG ARG A 63 9.241 -7.388 -0.578 1.00 0.00 C ATOM 939 CD ARG A 63 9.256 -8.842 -0.917 1.00 0.00 C ATOM 940 NE ARG A 63 7.981 -9.343 -1.443 1.00 0.00 N ATOM 941 CZ ARG A 63 7.876 -10.127 -2.528 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.902 -10.250 -3.367 1.00 0.00 N ATOM 943 NH2 ARG A 63 6.721 -10.729 -2.810 1.00 0.00 N ATOM 0 H ARG A 63 5.996 -5.807 0.863 1.00 0.00 H new ATOM 0 HA ARG A 63 8.728 -5.552 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.997 -7.709 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.151 -7.175 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.235 -6.801 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.154 -7.130 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.039 -9.025 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.518 -9.410 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 63 7.124 -9.080 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.771 -9.748 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.819 -10.846 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.914 -10.595 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.644 -11.324 -3.635 1.00 0.00 H new ATOM 957 N ALA A 64 7.779 -4.011 -1.036 1.00 0.00 N ATOM 958 CA ALA A 64 8.196 -3.138 -2.121 1.00 0.00 C ATOM 959 C ALA A 64 8.773 -1.897 -1.547 1.00 0.00 C ATOM 960 O ALA A 64 9.682 -1.327 -2.091 1.00 0.00 O ATOM 961 CB ALA A 64 7.038 -2.812 -3.033 1.00 0.00 C ATOM 0 H ALA A 64 6.768 -4.109 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 64 8.949 -3.649 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.380 -2.158 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.641 -3.733 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.256 -2.310 -2.463 1.00 0.00 H new ATOM 967 N LEU A 65 8.229 -1.498 -0.435 1.00 0.00 N ATOM 968 CA LEU A 65 8.726 -0.403 0.324 1.00 0.00 C ATOM 969 C LEU A 65 10.116 -0.657 0.830 1.00 0.00 C ATOM 970 O LEU A 65 10.992 0.181 0.677 1.00 0.00 O ATOM 971 CB LEU A 65 7.785 -0.089 1.454 1.00 0.00 C ATOM 972 CG LEU A 65 6.497 0.628 1.090 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.693 0.900 2.321 1.00 0.00 C ATOM 974 CD2 LEU A 65 6.804 1.918 0.407 1.00 0.00 C ATOM 0 H LEU A 65 7.406 -1.941 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 65 8.784 0.464 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.525 -1.024 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.320 0.521 2.182 1.00 0.00 H new ATOM 0 HG LEU A 65 5.923 -0.010 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.772 1.414 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.450 -0.042 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.270 1.526 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.873 2.424 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.390 2.552 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.373 1.722 -0.502 1.00 0.00 H new ATOM 986 N GLY A 66 10.329 -1.822 1.394 1.00 0.00 N ATOM 987 CA GLY A 66 11.631 -2.151 1.918 1.00 0.00 C ATOM 988 C GLY A 66 12.669 -2.301 0.831 1.00 0.00 C ATOM 989 O GLY A 66 13.850 -2.134 1.071 1.00 0.00 O ATOM 0 H GLY A 66 9.624 -2.551 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.947 -1.373 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.567 -3.079 2.486 1.00 0.00 H new ATOM 993 N LYS A 67 12.222 -2.612 -0.365 1.00 0.00 N ATOM 994 CA LYS A 67 13.116 -2.805 -1.486 1.00 0.00 C ATOM 995 C LYS A 67 13.214 -1.552 -2.347 1.00 0.00 C ATOM 996 O LYS A 67 14.148 -1.419 -3.142 1.00 0.00 O ATOM 997 CB LYS A 67 12.608 -3.955 -2.360 1.00 0.00 C ATOM 998 CG LYS A 67 12.376 -5.274 -1.626 1.00 0.00 C ATOM 999 CD LYS A 67 13.637 -5.817 -0.967 1.00 0.00 C ATOM 1000 CE LYS A 67 14.773 -6.006 -1.943 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.978 -6.542 -1.273 1.00 0.00 N ATOM 0 H LYS A 67 11.235 -2.738 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 67 14.103 -3.033 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.673 -3.649 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.326 -4.125 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.608 -5.130 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.993 -6.013 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.952 -5.134 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.411 -6.771 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.463 -6.686 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.011 -5.053 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.829 -6.164 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.973 -6.260 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.980 -7.580 -1.340 1.00 0.00 H new ATOM 1015 N MET A 68 12.244 -0.643 -2.181 1.00 0.00 N ATOM 1016 CA MET A 68 12.085 0.560 -3.031 1.00 0.00 C ATOM 1017 C MET A 68 11.830 0.094 -4.467 1.00 0.00 C ATOM 1018 O MET A 68 12.189 0.755 -5.445 1.00 0.00 O ATOM 1019 CB MET A 68 13.320 1.479 -2.952 1.00 0.00 C ATOM 1020 CG MET A 68 13.641 1.933 -1.538 1.00 0.00 C ATOM 1021 SD MET A 68 14.968 3.157 -1.456 1.00 0.00 S ATOM 1022 CE MET A 68 14.247 4.517 -2.379 1.00 0.00 C ATOM 0 H MET A 68 11.538 -0.716 -1.449 1.00 0.00 H new ATOM 0 HA MET A 68 11.241 1.151 -2.675 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.182 0.953 -3.362 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.153 2.355 -3.579 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.742 2.353 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.921 1.065 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.764 5.443 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.348 4.326 -3.447 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.191 4.610 -2.125 1.00 0.00 H new ATOM 1032 N SER A 69 11.136 -1.015 -4.554 1.00 0.00 N ATOM 1033 CA SER A 69 10.909 -1.733 -5.781 1.00 0.00 C ATOM 1034 C SER A 69 9.636 -1.334 -6.464 1.00 0.00 C ATOM 1035 O SER A 69 8.619 -1.031 -5.837 1.00 0.00 O ATOM 1036 CB SER A 69 10.936 -3.232 -5.503 1.00 0.00 C ATOM 1037 OG SER A 69 10.649 -3.991 -6.638 1.00 0.00 O ATOM 0 H SER A 69 10.700 -1.456 -3.744 1.00 0.00 H new ATOM 0 HA SER A 69 11.712 -1.473 -6.471 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.919 -3.510 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.214 -3.466 -4.721 1.00 0.00 H new ATOM 0 HG SER A 69 11.467 -4.116 -7.164 1.00 0.00 H new ATOM 1043 N LYS A 70 9.727 -1.344 -7.761 1.00 0.00 N ATOM 1044 CA LYS A 70 8.662 -0.994 -8.640 1.00 0.00 C ATOM 1045 C LYS A 70 8.274 -2.177 -9.474 1.00 0.00 C ATOM 1046 O LYS A 70 7.333 -2.120 -10.263 1.00 0.00 O ATOM 1047 CB LYS A 70 9.139 0.107 -9.495 1.00 0.00 C ATOM 1048 CG LYS A 70 9.424 1.342 -8.708 1.00 0.00 C ATOM 1049 CD LYS A 70 10.300 2.238 -9.490 1.00 0.00 C ATOM 1050 CE LYS A 70 10.268 3.658 -8.980 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.130 4.548 -9.777 1.00 0.00 N ATOM 0 H LYS A 70 10.582 -1.608 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 70 7.782 -0.682 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.042 -0.206 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.390 0.326 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.492 1.852 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.903 1.081 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.323 1.864 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.992 2.223 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.243 4.029 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.590 3.677 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.041 5.523 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.120 4.239 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.839 4.511 -10.775 1.00 0.00 H new ATOM 1065 N ASN A 71 9.019 -3.236 -9.339 1.00 0.00 N ATOM 1066 CA ASN A 71 8.633 -4.459 -9.969 1.00 0.00 C ATOM 1067 C ASN A 71 7.551 -5.095 -9.135 1.00 0.00 C ATOM 1068 O ASN A 71 7.710 -5.290 -7.925 1.00 0.00 O ATOM 1069 CB ASN A 71 9.818 -5.431 -10.278 1.00 0.00 C ATOM 1070 CG ASN A 71 10.711 -5.740 -9.096 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.722 -5.073 -8.886 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.366 -6.732 -8.326 1.00 0.00 N ATOM 0 H ASN A 71 9.887 -3.276 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 71 8.247 -4.225 -10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.411 -6.366 -10.662 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.427 -4.998 -11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.941 -6.976 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.520 -7.265 -8.529 1.00 0.00 H new ATOM 1079 N GLU A 72 6.459 -5.421 -9.788 1.00 0.00 N ATOM 1080 CA GLU A 72 5.225 -5.900 -9.146 1.00 0.00 C ATOM 1081 C GLU A 72 5.445 -7.156 -8.311 1.00 0.00 C ATOM 1082 O GLU A 72 4.640 -7.489 -7.451 1.00 0.00 O ATOM 1083 CB GLU A 72 4.162 -6.133 -10.206 1.00 0.00 C ATOM 1084 CG GLU A 72 3.904 -4.900 -11.057 1.00 0.00 C ATOM 1085 CD GLU A 72 2.886 -5.130 -12.132 1.00 0.00 C ATOM 1086 OE1 GLU A 72 3.249 -5.644 -13.210 1.00 0.00 O ATOM 1087 OE2 GLU A 72 1.709 -4.799 -11.921 1.00 0.00 O ATOM 0 H GLU A 72 6.388 -5.364 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 72 4.890 -5.129 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.471 -6.956 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.233 -6.437 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.568 -4.086 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.840 -4.579 -11.514 1.00 0.00 H new ATOM 1094 N GLU A 73 6.533 -7.835 -8.580 1.00 0.00 N ATOM 1095 CA GLU A 73 6.914 -9.037 -7.869 1.00 0.00 C ATOM 1096 C GLU A 73 7.135 -8.764 -6.379 1.00 0.00 C ATOM 1097 O GLU A 73 6.808 -9.596 -5.547 1.00 0.00 O ATOM 1098 CB GLU A 73 8.183 -9.604 -8.452 1.00 0.00 C ATOM 1099 CG GLU A 73 8.148 -9.789 -9.947 1.00 0.00 C ATOM 1100 CD GLU A 73 9.391 -10.442 -10.443 1.00 0.00 C ATOM 1101 OE1 GLU A 73 10.454 -9.793 -10.433 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.337 -11.637 -10.809 1.00 0.00 O ATOM 0 H GLU A 73 7.192 -7.566 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 73 6.098 -9.751 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.013 -8.944 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.387 -10.567 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.283 -10.394 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.025 -8.821 -10.432 1.00 0.00 H new ATOM 1109 N ASP A 74 7.691 -7.593 -6.050 1.00 0.00 N ATOM 1110 CA ASP A 74 7.972 -7.260 -4.646 1.00 0.00 C ATOM 1111 C ASP A 74 6.825 -6.534 -4.015 1.00 0.00 C ATOM 1112 O ASP A 74 6.729 -6.446 -2.782 1.00 0.00 O ATOM 1113 CB ASP A 74 9.260 -6.449 -4.464 1.00 0.00 C ATOM 1114 CG ASP A 74 10.506 -7.208 -4.835 1.00 0.00 C ATOM 1115 OD1 ASP A 74 10.811 -8.234 -4.182 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.191 -6.794 -5.796 1.00 0.00 O ATOM 0 H ASP A 74 7.952 -6.871 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 74 8.114 -8.216 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.200 -5.546 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.335 -6.130 -3.425 1.00 0.00 H new ATOM 1121 N VAL A 75 5.955 -6.004 -4.840 1.00 0.00 N ATOM 1122 CA VAL A 75 4.792 -5.320 -4.347 1.00 0.00 C ATOM 1123 C VAL A 75 3.822 -6.411 -3.917 1.00 0.00 C ATOM 1124 O VAL A 75 3.185 -7.068 -4.749 1.00 0.00 O ATOM 1125 CB VAL A 75 4.165 -4.407 -5.440 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.145 -3.464 -4.846 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.239 -3.623 -6.179 1.00 0.00 C ATOM 0 H VAL A 75 6.033 -6.035 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 75 5.043 -4.660 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 75 3.657 -5.055 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.725 -2.839 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.348 -4.040 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.625 -2.832 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.773 -2.993 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.784 -2.997 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.931 -4.316 -6.658 1.00 0.00 H new ATOM 1137 N SER A 76 3.758 -6.630 -2.634 1.00 0.00 N ATOM 1138 CA SER A 76 3.080 -7.756 -2.085 1.00 0.00 C ATOM 1139 C SER A 76 2.637 -7.442 -0.656 1.00 0.00 C ATOM 1140 O SER A 76 3.331 -6.691 0.056 1.00 0.00 O ATOM 1141 CB SER A 76 4.081 -8.935 -2.097 1.00 0.00 C ATOM 1142 OG SER A 76 3.557 -10.123 -1.543 1.00 0.00 O ATOM 0 H SER A 76 4.183 -6.020 -1.936 1.00 0.00 H new ATOM 0 HA SER A 76 2.190 -8.005 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.391 -9.128 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.975 -8.648 -1.543 1.00 0.00 H new ATOM 0 HG SER A 76 3.974 -10.897 -1.976 1.00 0.00 H new ATOM 1148 N PRO A 77 1.481 -8.018 -0.225 1.00 0.00 N ATOM 1149 CA PRO A 77 0.905 -7.833 1.138 1.00 0.00 C ATOM 1150 C PRO A 77 1.715 -8.526 2.247 1.00 0.00 C ATOM 1151 O PRO A 77 1.144 -9.140 3.165 1.00 0.00 O ATOM 1152 CB PRO A 77 -0.478 -8.491 1.008 1.00 0.00 C ATOM 1153 CG PRO A 77 -0.312 -9.501 -0.068 1.00 0.00 C ATOM 1154 CD PRO A 77 0.622 -8.889 -1.055 1.00 0.00 C ATOM 0 HA PRO A 77 0.891 -6.783 1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.785 -8.956 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.243 -7.759 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.092 -10.432 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.269 -9.741 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.205 -9.647 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.086 -8.319 -1.814 1.00 0.00 H new ATOM 1162 N SER A 78 3.008 -8.379 2.194 1.00 0.00 N ATOM 1163 CA SER A 78 3.895 -8.944 3.158 1.00 0.00 C ATOM 1164 C SER A 78 5.273 -8.384 2.912 1.00 0.00 C ATOM 1165 O SER A 78 5.545 -7.835 1.840 1.00 0.00 O ATOM 1166 CB SER A 78 3.924 -10.474 3.024 1.00 0.00 C ATOM 1167 OG SER A 78 4.736 -11.076 4.022 1.00 0.00 O ATOM 0 H SER A 78 3.481 -7.850 1.461 1.00 0.00 H new ATOM 0 HA SER A 78 3.557 -8.696 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.909 -10.864 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.300 -10.745 2.037 1.00 0.00 H new ATOM 0 HG SER A 78 4.729 -12.049 3.906 1.00 0.00 H new ATOM 1173 N LEU A 79 6.129 -8.514 3.887 1.00 0.00 N ATOM 1174 CA LEU A 79 7.496 -8.092 3.786 1.00 0.00 C ATOM 1175 C LEU A 79 8.405 -9.282 3.575 1.00 0.00 C ATOM 1176 O LEU A 79 9.612 -9.191 3.670 1.00 0.00 O ATOM 1177 CB LEU A 79 7.950 -7.137 4.940 1.00 0.00 C ATOM 1178 CG LEU A 79 7.350 -7.331 6.341 1.00 0.00 C ATOM 1179 CD1 LEU A 79 8.121 -6.497 7.342 1.00 0.00 C ATOM 1180 CD2 LEU A 79 5.904 -6.851 6.340 1.00 0.00 C ATOM 0 H LEU A 79 5.891 -8.924 4.790 1.00 0.00 H new ATOM 0 HA LEU A 79 7.578 -7.466 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.033 -7.220 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.734 -6.115 4.627 1.00 0.00 H new ATOM 0 HG LEU A 79 7.402 -8.386 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.695 -6.635 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.165 -6.810 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.059 -5.445 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.475 -6.987 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.871 -5.795 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.330 -7.427 5.614 1.00 0.00 H new ATOM 1192 N GLU A 80 7.773 -10.396 3.255 1.00 0.00 N ATOM 1193 CA GLU A 80 8.412 -11.620 2.839 1.00 0.00 C ATOM 1194 C GLU A 80 9.379 -12.194 3.865 1.00 0.00 C ATOM 1195 O GLU A 80 8.973 -12.927 4.771 1.00 0.00 O ATOM 1196 CB GLU A 80 9.062 -11.458 1.466 1.00 0.00 C ATOM 1197 CG GLU A 80 9.680 -12.710 0.907 1.00 0.00 C ATOM 1198 CD GLU A 80 8.678 -13.831 0.713 1.00 0.00 C ATOM 1199 OE1 GLU A 80 8.329 -14.510 1.701 1.00 0.00 O ATOM 1200 OE2 GLU A 80 8.234 -14.061 -0.430 1.00 0.00 O ATOM 0 H GLU A 80 6.756 -10.470 3.281 1.00 0.00 H new ATOM 0 HA GLU A 80 7.618 -12.363 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.310 -11.097 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.831 -10.689 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.150 -12.481 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.470 -13.049 1.577 1.00 0.00 H new ATOM 1207 N GLY A 81 10.629 -11.837 3.744 1.00 0.00 N ATOM 1208 CA GLY A 81 11.610 -12.326 4.627 1.00 0.00 C ATOM 1209 C GLY A 81 12.759 -11.382 4.699 1.00 0.00 C ATOM 1210 O GLY A 81 13.920 -11.788 4.794 1.00 0.00 O ATOM 0 H GLY A 81 10.978 -11.200 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.180 -12.462 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.955 -13.304 4.292 1.00 0.00 H new ATOM 1214 N LEU A 82 12.430 -10.122 4.618 1.00 0.00 N ATOM 1215 CA LEU A 82 13.368 -9.053 4.676 1.00 0.00 C ATOM 1216 C LEU A 82 14.060 -9.015 6.012 1.00 0.00 C ATOM 1217 O LEU A 82 13.448 -9.256 7.052 1.00 0.00 O ATOM 1218 CB LEU A 82 12.620 -7.759 4.402 1.00 0.00 C ATOM 1219 CG LEU A 82 12.036 -7.668 3.004 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.081 -6.521 2.884 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.126 -7.478 2.034 1.00 0.00 C ATOM 0 H LEU A 82 11.466 -9.809 4.506 1.00 0.00 H new ATOM 0 HA LEU A 82 14.146 -9.195 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.814 -7.656 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.298 -6.920 4.557 1.00 0.00 H new ATOM 0 HG LEU A 82 11.496 -8.593 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.681 -6.485 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.263 -6.653 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.603 -5.589 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.711 -7.412 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.663 -6.558 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.813 -8.323 2.088 1.00 0.00 H new ATOM 1233 N THR A 83 15.325 -8.754 5.983 1.00 0.00 N ATOM 1234 CA THR A 83 16.085 -8.645 7.179 1.00 0.00 C ATOM 1235 C THR A 83 15.923 -7.210 7.716 1.00 0.00 C ATOM 1236 O THR A 83 15.315 -6.362 7.034 1.00 0.00 O ATOM 1237 CB THR A 83 17.585 -9.006 6.929 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.309 -9.050 8.168 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.244 -7.998 6.001 1.00 0.00 C ATOM 0 H THR A 83 15.860 -8.610 5.126 1.00 0.00 H new ATOM 0 HA THR A 83 15.721 -9.355 7.922 1.00 0.00 H new ATOM 0 HB THR A 83 17.610 -9.989 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.245 -9.279 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.287 -8.274 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.723 -7.991 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.195 -7.005 6.448 1.00 0.00 H new ATOM 1247 N GLU A 84 16.462 -6.938 8.902 1.00 0.00 N ATOM 1248 CA GLU A 84 16.313 -5.637 9.558 1.00 0.00 C ATOM 1249 C GLU A 84 16.723 -4.481 8.633 1.00 0.00 C ATOM 1250 O GLU A 84 16.007 -3.493 8.535 1.00 0.00 O ATOM 1251 CB GLU A 84 17.103 -5.592 10.867 1.00 0.00 C ATOM 1252 CG GLU A 84 16.901 -4.313 11.655 1.00 0.00 C ATOM 1253 CD GLU A 84 17.673 -4.297 12.947 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.222 -4.941 13.922 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.736 -3.647 13.014 1.00 0.00 O ATOM 0 H GLU A 84 17.013 -7.610 9.436 1.00 0.00 H new ATOM 0 HA GLU A 84 15.256 -5.510 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.812 -6.440 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.164 -5.708 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.206 -3.463 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.840 -4.187 11.869 1.00 0.00 H new ATOM 1262 N LYS A 85 17.839 -4.662 7.920 1.00 0.00 N ATOM 1263 CA LYS A 85 18.366 -3.666 6.965 1.00 0.00 C ATOM 1264 C LYS A 85 17.288 -3.261 5.971 1.00 0.00 C ATOM 1265 O LYS A 85 16.988 -2.079 5.785 1.00 0.00 O ATOM 1266 CB LYS A 85 19.470 -4.324 6.143 1.00 0.00 C ATOM 1267 CG LYS A 85 20.052 -3.434 5.050 1.00 0.00 C ATOM 1268 CD LYS A 85 20.839 -4.253 4.044 1.00 0.00 C ATOM 1269 CE LYS A 85 22.013 -4.972 4.693 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.765 -5.800 3.726 1.00 0.00 N ATOM 0 H LYS A 85 18.409 -5.505 7.985 1.00 0.00 H new ATOM 0 HA LYS A 85 18.718 -2.801 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.274 -4.629 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.075 -5.231 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.247 -2.903 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.700 -2.680 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.180 -4.984 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.206 -3.600 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.684 -4.238 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.647 -5.604 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.555 -6.271 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.133 -6.518 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.137 -5.195 2.967 1.00 0.00 H new ATOM 1284 N GLU A 86 16.719 -4.258 5.361 1.00 0.00 N ATOM 1285 CA GLU A 86 15.733 -4.104 4.338 1.00 0.00 C ATOM 1286 C GLU A 86 14.466 -3.505 4.889 1.00 0.00 C ATOM 1287 O GLU A 86 13.923 -2.537 4.353 1.00 0.00 O ATOM 1288 CB GLU A 86 15.420 -5.458 3.786 1.00 0.00 C ATOM 1289 CG GLU A 86 16.556 -6.155 3.061 1.00 0.00 C ATOM 1290 CD GLU A 86 17.120 -5.345 1.921 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.423 -5.140 0.913 1.00 0.00 O ATOM 1292 OE2 GLU A 86 18.281 -4.933 2.006 1.00 0.00 O ATOM 0 H GLU A 86 16.937 -5.232 5.570 1.00 0.00 H new ATOM 0 HA GLU A 86 16.123 -3.439 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.091 -6.097 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.579 -5.364 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.353 -6.373 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.201 -7.112 2.678 1.00 0.00 H new ATOM 1299 N ILE A 87 14.010 -4.086 5.960 1.00 0.00 N ATOM 1300 CA ILE A 87 12.802 -3.688 6.617 1.00 0.00 C ATOM 1301 C ILE A 87 12.845 -2.199 7.055 1.00 0.00 C ATOM 1302 O ILE A 87 11.828 -1.495 6.969 1.00 0.00 O ATOM 1303 CB ILE A 87 12.534 -4.611 7.814 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.143 -6.014 7.361 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.494 -4.050 8.732 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.917 -6.976 8.515 1.00 0.00 C ATOM 0 H ILE A 87 14.481 -4.870 6.411 1.00 0.00 H new ATOM 0 HA ILE A 87 11.981 -3.782 5.907 1.00 0.00 H new ATOM 0 HB ILE A 87 13.468 -4.679 8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.234 -5.955 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.925 -6.411 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 87 11.336 -4.735 9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.828 -3.085 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.559 -3.920 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.642 -7.955 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.832 -7.063 9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.115 -6.600 9.150 1.00 0.00 H new ATOM 1318 N ASN A 88 14.037 -1.727 7.474 1.00 0.00 N ATOM 1319 CA ASN A 88 14.254 -0.308 7.897 1.00 0.00 C ATOM 1320 C ASN A 88 13.724 0.652 6.876 1.00 0.00 C ATOM 1321 O ASN A 88 13.150 1.686 7.209 1.00 0.00 O ATOM 1322 CB ASN A 88 15.748 0.012 8.077 1.00 0.00 C ATOM 1323 CG ASN A 88 16.395 -0.627 9.282 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.752 -0.864 10.297 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.670 -0.910 9.183 1.00 0.00 N ATOM 0 H ASN A 88 14.876 -2.304 7.532 1.00 0.00 H new ATOM 0 HA ASN A 88 13.726 -0.197 8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.283 -0.308 7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.867 1.093 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.159 -1.342 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.174 -0.698 8.322 1.00 0.00 H new ATOM 1332 N THR A 89 13.913 0.301 5.643 1.00 0.00 N ATOM 1333 CA THR A 89 13.509 1.096 4.538 1.00 0.00 C ATOM 1334 C THR A 89 11.978 1.253 4.476 1.00 0.00 C ATOM 1335 O THR A 89 11.469 2.356 4.319 1.00 0.00 O ATOM 1336 CB THR A 89 14.052 0.458 3.272 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.483 0.386 3.371 1.00 0.00 O ATOM 1338 CG2 THR A 89 13.662 1.246 2.068 1.00 0.00 C ATOM 0 H THR A 89 14.366 -0.573 5.375 1.00 0.00 H new ATOM 0 HA THR A 89 13.912 2.103 4.648 1.00 0.00 H new ATOM 0 HB THR A 89 13.632 -0.542 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.847 -0.026 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.063 0.768 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.575 1.290 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.062 2.257 2.149 1.00 0.00 H new ATOM 1346 N LEU A 90 11.268 0.166 4.666 1.00 0.00 N ATOM 1347 CA LEU A 90 9.811 0.169 4.612 1.00 0.00 C ATOM 1348 C LEU A 90 9.280 0.839 5.842 1.00 0.00 C ATOM 1349 O LEU A 90 8.296 1.547 5.798 1.00 0.00 O ATOM 1350 CB LEU A 90 9.299 -1.260 4.506 1.00 0.00 C ATOM 1351 CG LEU A 90 8.098 -1.625 5.359 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.788 -1.236 4.729 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.142 -3.051 5.783 1.00 0.00 C ATOM 0 H LEU A 90 11.676 -0.748 4.863 1.00 0.00 H new ATOM 0 HA LEU A 90 9.468 0.718 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.046 -1.453 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.116 -1.933 4.765 1.00 0.00 H new ATOM 0 HG LEU A 90 8.163 -1.026 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.968 -1.523 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.766 -0.158 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.680 -1.745 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.267 -3.277 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.146 -3.693 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.045 -3.229 6.366 1.00 0.00 H new ATOM 1365 N ASN A 91 9.955 0.594 6.937 1.00 0.00 N ATOM 1366 CA ASN A 91 9.631 1.202 8.207 1.00 0.00 C ATOM 1367 C ASN A 91 9.698 2.710 8.111 1.00 0.00 C ATOM 1368 O ASN A 91 8.855 3.418 8.665 1.00 0.00 O ATOM 1369 CB ASN A 91 10.544 0.662 9.293 1.00 0.00 C ATOM 1370 CG ASN A 91 10.140 -0.716 9.813 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.411 -1.056 10.959 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.453 -1.495 9.011 1.00 0.00 N ATOM 0 H ASN A 91 10.754 -0.040 6.974 1.00 0.00 H new ATOM 0 HA ASN A 91 8.607 0.942 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.561 0.609 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.556 1.365 10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.132 -2.406 9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.240 -1.189 8.062 1.00 0.00 H new ATOM 1379 N ASP A 92 10.693 3.187 7.392 1.00 0.00 N ATOM 1380 CA ASP A 92 10.824 4.602 7.069 1.00 0.00 C ATOM 1381 C ASP A 92 9.631 5.041 6.237 1.00 0.00 C ATOM 1382 O ASP A 92 8.970 6.027 6.547 1.00 0.00 O ATOM 1383 CB ASP A 92 12.111 4.820 6.283 1.00 0.00 C ATOM 1384 CG ASP A 92 12.279 6.228 5.772 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.866 7.068 6.479 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.857 6.508 4.633 1.00 0.00 O ATOM 0 H ASP A 92 11.440 2.606 7.011 1.00 0.00 H new ATOM 0 HA ASP A 92 10.857 5.189 7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.961 4.570 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.131 4.132 5.438 1.00 0.00 H new ATOM 1391 N TRP A 93 9.350 4.267 5.198 1.00 0.00 N ATOM 1392 CA TRP A 93 8.223 4.500 4.306 1.00 0.00 C ATOM 1393 C TRP A 93 6.891 4.585 5.002 1.00 0.00 C ATOM 1394 O TRP A 93 6.061 5.423 4.640 1.00 0.00 O ATOM 1395 CB TRP A 93 8.195 3.500 3.178 1.00 0.00 C ATOM 1396 CG TRP A 93 9.179 3.804 2.090 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.258 3.069 1.731 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.175 4.953 1.225 1.00 0.00 C ATOM 1399 NE1 TRP A 93 10.926 3.674 0.701 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.281 4.831 0.369 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.336 6.065 1.091 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.579 5.781 -0.605 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.632 7.005 0.125 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.743 6.856 -0.713 1.00 0.00 C ATOM 0 H TRP A 93 9.906 3.449 4.948 1.00 0.00 H new ATOM 0 HA TRP A 93 8.390 5.491 3.884 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.401 2.507 3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.192 3.471 2.753 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.550 2.137 2.192 1.00 0.00 H new ATOM 0 HE1 TRP A 93 11.770 3.318 0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.474 6.185 1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.438 5.672 -1.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 7.995 7.870 0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 93 9.944 7.608 -1.462 1.00 0.00 H new ATOM 1415 N GLU A 94 6.680 3.741 5.998 1.00 0.00 N ATOM 1416 CA GLU A 94 5.462 3.776 6.789 1.00 0.00 C ATOM 1417 C GLU A 94 5.225 5.180 7.295 1.00 0.00 C ATOM 1418 O GLU A 94 4.188 5.746 7.085 1.00 0.00 O ATOM 1419 CB GLU A 94 5.571 2.853 7.987 1.00 0.00 C ATOM 1420 CG GLU A 94 5.725 1.388 7.673 1.00 0.00 C ATOM 1421 CD GLU A 94 5.751 0.561 8.930 1.00 0.00 C ATOM 1422 OE1 GLU A 94 6.823 0.379 9.522 1.00 0.00 O ATOM 1423 OE2 GLU A 94 4.660 0.127 9.381 1.00 0.00 O ATOM 0 H GLU A 94 7.342 3.018 6.279 1.00 0.00 H new ATOM 0 HA GLU A 94 4.638 3.452 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.424 3.168 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.681 2.982 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.902 1.061 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.645 1.229 7.111 1.00 0.00 H new ATOM 1430 N THR A 95 6.246 5.718 7.897 1.00 0.00 N ATOM 1431 CA THR A 95 6.273 7.041 8.502 1.00 0.00 C ATOM 1432 C THR A 95 6.051 8.151 7.465 1.00 0.00 C ATOM 1433 O THR A 95 5.455 9.186 7.759 1.00 0.00 O ATOM 1434 CB THR A 95 7.654 7.237 9.149 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.876 6.142 10.065 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.729 8.552 9.922 1.00 0.00 C ATOM 0 H THR A 95 7.136 5.228 7.990 1.00 0.00 H new ATOM 0 HA THR A 95 5.469 7.105 9.235 1.00 0.00 H new ATOM 0 HB THR A 95 8.411 7.263 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.753 6.244 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.719 8.657 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.546 9.384 9.243 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.976 8.554 10.710 1.00 0.00 H new ATOM 1444 N LYS A 96 6.487 7.901 6.258 1.00 0.00 N ATOM 1445 CA LYS A 96 6.436 8.885 5.204 1.00 0.00 C ATOM 1446 C LYS A 96 5.018 9.015 4.740 1.00 0.00 C ATOM 1447 O LYS A 96 4.504 10.109 4.541 1.00 0.00 O ATOM 1448 CB LYS A 96 7.371 8.459 4.080 1.00 0.00 C ATOM 1449 CG LYS A 96 8.829 8.384 4.526 1.00 0.00 C ATOM 1450 CD LYS A 96 9.404 9.761 4.800 1.00 0.00 C ATOM 1451 CE LYS A 96 10.861 9.702 5.240 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.743 9.083 4.232 1.00 0.00 N ATOM 0 H LYS A 96 6.889 7.007 5.976 1.00 0.00 H new ATOM 0 HA LYS A 96 6.768 9.861 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.060 7.485 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.284 9.164 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.903 7.773 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.420 7.890 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.323 10.372 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.813 10.252 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.212 10.712 5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.931 9.139 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.736 9.207 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.528 8.068 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.588 9.537 3.309 1.00 0.00 H new ATOM 1466 N PHE A 97 4.388 7.889 4.611 1.00 0.00 N ATOM 1467 CA PHE A 97 3.004 7.820 4.293 1.00 0.00 C ATOM 1468 C PHE A 97 2.157 8.255 5.490 1.00 0.00 C ATOM 1469 O PHE A 97 1.232 9.026 5.342 1.00 0.00 O ATOM 1470 CB PHE A 97 2.648 6.418 3.862 1.00 0.00 C ATOM 1471 CG PHE A 97 3.059 6.047 2.459 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.371 5.723 2.154 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.114 6.005 1.448 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.733 5.365 0.872 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.469 5.651 0.165 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.782 5.330 -0.124 1.00 0.00 C ATOM 0 H PHE A 97 4.833 6.978 4.727 1.00 0.00 H new ATOM 0 HA PHE A 97 2.794 8.502 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.110 5.715 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.569 6.292 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.121 5.751 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.086 6.253 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.759 5.113 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.722 5.624 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.062 5.052 -1.129 1.00 0.00 H new ATOM 1486 N GLU A 98 2.513 7.771 6.669 1.00 0.00 N ATOM 1487 CA GLU A 98 1.837 8.102 7.939 1.00 0.00 C ATOM 1488 C GLU A 98 1.771 9.607 8.223 1.00 0.00 C ATOM 1489 O GLU A 98 0.847 10.078 8.899 1.00 0.00 O ATOM 1490 CB GLU A 98 2.511 7.346 9.107 1.00 0.00 C ATOM 1491 CG GLU A 98 2.016 5.918 9.342 1.00 0.00 C ATOM 1492 CD GLU A 98 0.559 5.866 9.734 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.186 6.489 10.747 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.229 5.174 9.066 1.00 0.00 O ATOM 0 H GLU A 98 3.293 7.124 6.785 1.00 0.00 H new ATOM 0 HA GLU A 98 0.802 7.775 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.585 7.314 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.361 7.919 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.166 5.332 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.616 5.454 10.125 1.00 0.00 H new ATOM 1501 N ALA A 99 2.710 10.360 7.692 1.00 0.00 N ATOM 1502 CA ALA A 99 2.746 11.784 7.917 1.00 0.00 C ATOM 1503 C ALA A 99 2.155 12.524 6.751 1.00 0.00 C ATOM 1504 O ALA A 99 2.157 13.758 6.726 1.00 0.00 O ATOM 1505 CB ALA A 99 4.177 12.237 8.091 1.00 0.00 C ATOM 0 H ALA A 99 3.461 10.005 7.099 1.00 0.00 H new ATOM 0 HA ALA A 99 2.165 11.998 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.200 13.313 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.619 11.725 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.746 11.999 7.192 1.00 0.00 H new ATOM 1511 N LYS A 100 1.625 11.813 5.792 1.00 0.00 N ATOM 1512 CA LYS A 100 1.229 12.471 4.592 1.00 0.00 C ATOM 1513 C LYS A 100 -0.180 12.080 4.210 1.00 0.00 C ATOM 1514 O LYS A 100 -0.988 12.922 3.820 1.00 0.00 O ATOM 1515 CB LYS A 100 2.200 12.069 3.495 1.00 0.00 C ATOM 1516 CG LYS A 100 2.337 13.035 2.339 1.00 0.00 C ATOM 1517 CD LYS A 100 3.257 14.231 2.666 1.00 0.00 C ATOM 1518 CE LYS A 100 2.712 15.191 3.720 1.00 0.00 C ATOM 1519 NZ LYS A 100 3.589 16.367 3.893 1.00 0.00 N ATOM 0 H LYS A 100 1.464 10.806 5.821 1.00 0.00 H new ATOM 0 HA LYS A 100 1.246 13.551 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.184 11.928 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.889 11.102 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.732 12.504 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.350 13.406 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.219 13.848 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.443 14.789 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.714 15.521 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.612 14.668 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.187 16.997 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.534 16.054 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.664 16.880 2.991 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.461 10.816 4.333 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.733 10.269 3.974 1.00 0.00 C ATOM 1535 C TYR A 101 -2.314 9.536 5.170 1.00 0.00 C ATOM 1536 O TYR A 101 -1.589 8.855 5.896 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.564 9.291 2.810 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.869 9.875 1.595 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.517 10.767 0.750 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.445 9.535 1.304 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.873 11.300 -0.352 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.093 10.062 0.210 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.433 10.942 -0.615 1.00 0.00 C ATOM 1544 OH TYR A 101 1.082 11.466 -1.705 1.00 0.00 O ATOM 0 H TYR A 101 0.199 10.126 4.692 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.404 11.073 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.997 8.427 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.547 8.928 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.539 11.049 0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.969 8.844 1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.389 11.991 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.116 9.785 0.000 1.00 0.00 H new ATOM 0 HH TYR A 101 1.995 11.111 -1.744 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.601 9.689 5.426 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.258 9.004 6.514 1.00 0.00 C ATOM 1556 C PRO A 102 -4.665 7.584 6.128 1.00 0.00 C ATOM 1557 O PRO A 102 -5.108 7.326 4.988 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.501 9.860 6.751 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.841 10.390 5.402 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.531 10.575 4.689 1.00 0.00 C ATOM 0 HA PRO A 102 -3.616 8.896 7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.318 9.269 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.301 10.666 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.485 9.697 4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.381 11.334 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.604 10.294 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.202 11.614 4.719 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.489 6.664 7.040 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.965 5.323 6.817 1.00 0.00 C ATOM 1570 C VAL A 103 -6.454 5.259 7.010 1.00 0.00 C ATOM 1571 O VAL A 103 -6.972 5.394 8.124 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.206 4.192 7.587 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -2.818 4.105 7.083 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -4.170 4.388 9.086 1.00 0.00 C ATOM 0 H VAL A 103 -4.025 6.815 7.935 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.730 5.101 5.776 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.759 3.271 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.286 3.318 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.832 3.875 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.313 5.058 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.627 3.563 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.669 5.328 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.188 4.414 9.474 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.138 5.113 5.910 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.586 5.123 5.898 1.00 0.00 C ATOM 1586 C VAL A 104 -9.143 3.728 5.702 1.00 0.00 C ATOM 1587 O VAL A 104 -10.359 3.533 5.642 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.147 6.068 4.795 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.694 7.500 5.029 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.724 5.602 3.409 1.00 0.00 C ATOM 0 H VAL A 104 -6.713 4.983 4.992 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.905 5.499 6.870 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.235 6.034 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.098 8.142 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.054 7.841 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.605 7.545 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.129 6.280 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.636 5.596 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.103 4.596 3.232 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.269 2.763 5.617 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.700 1.426 5.401 1.00 0.00 C ATOM 1602 C GLY A 105 -7.677 0.419 5.803 1.00 0.00 C ATOM 1603 O GLY A 105 -6.650 0.765 6.391 1.00 0.00 O ATOM 0 H GLY A 105 -7.259 2.885 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.618 1.249 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.941 1.292 4.346 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.944 -0.810 5.473 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.051 -1.901 5.727 1.00 0.00 C ATOM 1609 C ARG A 106 -6.992 -2.768 4.539 1.00 0.00 C ATOM 1610 O ARG A 106 -7.915 -2.783 3.721 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.512 -2.811 6.861 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.854 -3.470 6.646 1.00 0.00 C ATOM 1613 CD ARG A 106 -9.034 -4.574 7.644 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.903 -4.104 9.027 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.404 -4.819 10.051 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.043 -6.094 9.874 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.288 -4.261 11.253 1.00 0.00 N ATOM 0 H ARG A 106 -8.809 -1.088 5.009 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.096 -1.444 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.762 -3.588 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.554 -2.227 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.653 -2.736 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.918 -3.867 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.016 -5.026 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.296 -5.354 7.457 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.217 -3.155 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.145 -6.531 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.665 -6.630 10.655 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.577 -3.293 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.910 -4.801 12.032 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.946 -3.485 4.433 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.888 -4.496 3.491 1.00 0.00 C ATOM 1633 C VAL A 107 -5.866 -5.801 4.230 1.00 0.00 C ATOM 1634 O VAL A 107 -5.188 -5.954 5.256 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.708 -4.420 2.508 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.392 -4.671 3.179 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.939 -5.378 1.396 1.00 0.00 C ATOM 0 H VAL A 107 -5.108 -3.378 5.005 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.767 -4.389 2.856 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.656 -3.407 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.590 -4.607 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.232 -3.924 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.395 -5.665 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.106 -5.329 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.018 -6.389 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.863 -5.120 0.879 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.630 -6.690 3.769 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.735 -7.963 4.334 1.00 0.00 C ATOM 1649 C VAL A 108 -6.304 -8.958 3.326 1.00 0.00 C ATOM 1650 O VAL A 108 -6.619 -8.831 2.149 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.166 -8.222 4.844 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.430 -7.235 5.889 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.177 -7.970 3.788 1.00 0.00 C ATOM 0 H VAL A 108 -7.226 -6.550 2.954 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.086 -8.045 5.205 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.234 -9.257 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.437 -7.381 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.706 -7.355 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.345 -6.232 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.174 -8.163 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.111 -6.932 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.990 -8.629 2.940 1.00 0.00 H new ATOM 1663 N SER A 109 -5.518 -9.863 3.740 1.00 0.00 N ATOM 1664 CA SER A 109 -5.022 -10.834 2.870 1.00 0.00 C ATOM 1665 C SER A 109 -4.827 -12.119 3.646 1.00 0.00 C ATOM 1666 O SER A 109 -3.807 -12.245 4.335 1.00 0.00 O ATOM 1667 CB SER A 109 -3.696 -10.301 2.293 1.00 0.00 C ATOM 1668 OG SER A 109 -3.036 -11.231 1.438 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.720 -12.989 3.611 1.00 0.00 O ATOM 0 H SER A 109 -5.198 -9.950 4.705 1.00 0.00 H new ATOM 0 HA SER A 109 -5.706 -11.042 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.893 -9.384 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.030 -10.039 3.115 1.00 0.00 H new ATOM 0 HG SER A 109 -2.089 -10.989 1.360 1.00 0.00 H new TER 1675 SER A 109