USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 8:sc= -2.18! USER MOD Set 1.2: A 120 GLN : amide:sc= -9.57! C(o=-12!,f=-4.3!) USER MOD Set 2.1: A 106 GLN : amide:sc= -5.87! C(o=-7.3!,f=-8.9!) USER MOD Set 2.2: A 108 TYR OH : rot 66:sc= -1.48! USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Set 4.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 58 MET CE :methyl 179:sc= -1.49 (180deg=-1.51) USER MOD Set 5.1: A 20 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 22 CYS SG : rot -97:sc= 0.398 USER MOD Set 5.3: A 26 CYS SG : rot 160:sc= -0.819 USER MOD Set 6.1: A 8 SER OG : rot -121:sc= 0.0364 USER MOD Set 6.2: A 10 TYR OH : rot 150:sc= 0.324 USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 0.138 (180deg=0.0245) USER MOD Single : A 14 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.93) USER MOD Single : A 16 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.27) USER MOD Single : A 24 CYS SG : rot 62:sc= 0.312 USER MOD Single : A 31 SER OG : rot -65:sc= -0.569! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 36:sc= -2.92 USER MOD Single : A 37 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.6!) USER MOD Single : A 38 SER OG : rot -157:sc= -1.14 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 53 ASN : amide:sc= -0.356! K(o=-0.36!,f=-1.1) USER MOD Single : A 55 SER OG : rot 59:sc= 0.309 USER MOD Single : A 57 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -7.01! C(o=-7!,f=-5.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 167:sc= -1.21 (180deg=-1.51) USER MOD Single : A 76 ASN : amide:sc= -3.75! C(o=-3.8!,f=-3.2!) USER MOD Single : A 81 SER OG : rot -150:sc= 0.0122 USER MOD Single : A 82 CYS SG : rot 33:sc= 0.0206 USER MOD Single : A 86 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-1.9!) USER MOD Single : A 88 SER OG : rot -3:sc= 0.969 USER MOD Single : A 89 SER OG : rot 180:sc= 0.168 USER MOD Single : A 92 GLN : amide:sc= -14.7! C(o=-15!,f=-12!) USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= -2.35 (180deg=-5.1!) USER MOD Single : A 96 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -125:sc= 0.271 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 164:sc= -0.0333 (180deg=-0.191) USER MOD Single : A 122 HIS : no HD1:sc= -0.86 X(o=-0.86,f=-0.46) USER MOD Single : A 127 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-1.8!) USER MOD Single : A 128 SER OG : rot -74:sc= 1.02 USER MOD Single : A 129 CYS SG : rot 60:sc= 0.666 USER MOD Single : A 130 LYS NZ :NH3+ -127:sc= -3.7! (180deg=-6.79!) USER MOD Single : A 139 TYR OH : rot -152:sc= -0.351 USER MOD Single : A 143 ASN : amide:sc= -2.12! K(o=-2.1!,f=-1.4) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.55) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 153 LYS NZ :NH3+ 156:sc= -0.0878 (180deg=-0.65) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 1 USER MOD Single : A 158 LYS NZ :NH3+ -159:sc= -0.0572 (180deg=-0.542) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.107 K(o=-0.11,f=0.58) USER MOD Single : A 171 SER OG : rot -112:sc= -0.213 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.997 -11.352 0.995 1.00 0.52 N ATOM 51 CA GLY A 4 -16.316 -10.865 2.372 1.00 0.30 C ATOM 52 C GLY A 4 -14.990 -10.750 3.129 1.00 0.41 C ATOM 53 O GLY A 4 -14.551 -11.669 3.791 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.821 -9.900 2.332 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.990 -11.556 2.878 1.00 0.30 H new ATOM 57 N GLY A 5 -14.343 -9.617 3.010 1.00 0.01 N ATOM 58 CA GLY A 5 -13.033 -9.428 3.693 1.00 0.01 C ATOM 59 C GLY A 5 -13.237 -9.125 5.179 1.00 0.01 C ATOM 60 O GLY A 5 -14.221 -8.534 5.578 1.00 0.01 O ATOM 0 H GLY A 5 -14.668 -8.816 2.468 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.425 -10.326 3.580 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.486 -8.611 3.222 1.00 0.01 H new ATOM 64 N LYS A 6 -12.304 -9.528 5.999 1.00 0.00 N ATOM 65 CA LYS A 6 -12.419 -9.270 7.466 1.00 0.01 C ATOM 66 C LYS A 6 -11.024 -9.151 8.073 1.00 0.01 C ATOM 67 O LYS A 6 -10.135 -9.930 7.782 1.00 0.00 O ATOM 68 CB LYS A 6 -13.173 -10.413 8.149 1.00 0.02 C ATOM 69 CG LYS A 6 -13.342 -10.091 9.637 1.00 0.02 C ATOM 70 CD LYS A 6 -14.260 -11.130 10.297 1.00 0.02 C ATOM 71 CE LYS A 6 -13.499 -12.442 10.521 1.00 0.02 C ATOM 72 NZ LYS A 6 -14.301 -13.331 11.408 1.00 0.02 N ATOM 0 H LYS A 6 -11.462 -10.028 5.715 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.969 -8.341 7.618 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.148 -10.551 7.682 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.626 -11.348 8.027 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.370 -10.087 10.130 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.764 -9.093 9.756 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.629 -10.748 11.249 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.131 -11.309 9.667 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -13.311 -12.934 9.567 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -12.527 -12.240 10.972 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -13.674 -14.027 11.860 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.770 -12.760 12.140 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -15.020 -13.828 10.844 1.00 0.02 H new ATOM 86 N ILE A 7 -10.839 -8.185 8.936 1.00 0.02 N ATOM 87 CA ILE A 7 -9.516 -7.988 9.604 1.00 0.00 C ATOM 88 C ILE A 7 -9.728 -7.870 11.117 1.00 0.02 C ATOM 89 O ILE A 7 -10.670 -7.251 11.575 1.00 0.01 O ATOM 90 CB ILE A 7 -8.842 -6.737 9.037 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.591 -6.413 9.857 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.806 -5.554 9.083 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.719 -5.415 9.086 1.00 0.02 C ATOM 0 H ILE A 7 -11.558 -7.515 9.210 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.865 -8.841 9.414 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.560 -6.924 8.001 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.874 -5.994 10.823 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -7.028 -7.325 10.058 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.316 -4.669 8.677 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.691 -5.783 8.490 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.100 -5.364 10.115 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.828 -5.184 9.670 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.425 -5.851 8.131 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.284 -4.500 8.908 1.00 0.02 H new ATOM 105 N SER A 8 -8.851 -8.458 11.893 1.00 0.02 N ATOM 106 CA SER A 8 -8.971 -8.390 13.388 1.00 0.02 C ATOM 107 C SER A 8 -7.703 -7.770 13.978 1.00 0.01 C ATOM 108 O SER A 8 -6.603 -8.179 13.678 1.00 0.02 O ATOM 109 CB SER A 8 -9.165 -9.795 13.962 1.00 0.30 C ATOM 110 OG SER A 8 -8.649 -9.836 15.285 1.00 0.39 O ATOM 0 H SER A 8 -8.048 -8.988 11.554 1.00 0.02 H new ATOM 0 HA SER A 8 -9.833 -7.775 13.647 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.223 -10.057 13.964 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.656 -10.529 13.338 1.00 0.30 H new ATOM 0 HG SER A 8 -7.950 -10.521 15.342 1.00 0.39 H new ATOM 116 N PHE A 9 -7.867 -6.792 14.834 1.00 0.02 N ATOM 117 CA PHE A 9 -6.695 -6.125 15.485 1.00 0.01 C ATOM 118 C PHE A 9 -6.670 -6.499 16.972 1.00 0.01 C ATOM 119 O PHE A 9 -7.703 -6.565 17.605 1.00 0.02 O ATOM 120 CB PHE A 9 -6.854 -4.607 15.370 1.00 0.02 C ATOM 121 CG PHE A 9 -7.164 -4.211 13.946 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.471 -4.320 13.459 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.148 -3.715 13.120 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.763 -3.934 12.147 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.439 -3.332 11.805 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.747 -3.440 11.318 1.00 0.02 C ATOM 0 H PHE A 9 -8.775 -6.422 15.114 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.774 -6.445 14.998 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.653 -4.269 16.029 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.939 -4.114 15.699 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.255 -4.702 14.096 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.140 -3.628 13.497 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.773 -4.017 11.772 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.655 -2.953 11.167 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.973 -3.143 10.305 1.00 0.02 H new ATOM 136 N TYR A 10 -5.507 -6.748 17.533 1.00 0.02 N ATOM 137 CA TYR A 10 -5.421 -7.125 18.988 1.00 0.01 C ATOM 138 C TYR A 10 -4.523 -6.126 19.724 1.00 0.02 C ATOM 139 O TYR A 10 -3.505 -5.699 19.214 1.00 0.01 O ATOM 140 CB TYR A 10 -4.818 -8.526 19.116 1.00 0.02 C ATOM 141 CG TYR A 10 -5.541 -9.492 18.201 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.343 -9.428 16.816 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.398 -10.462 18.739 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.000 -10.329 15.971 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.056 -11.362 17.892 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.856 -11.296 16.509 1.00 0.00 C ATOM 147 OH TYR A 10 -7.504 -12.184 15.674 1.00 0.02 O ATOM 0 H TYR A 10 -4.611 -6.707 17.047 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.420 -7.111 19.423 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.758 -8.498 18.863 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.890 -8.868 20.148 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.682 -8.682 16.400 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.551 -10.515 19.807 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.846 -10.278 14.903 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.718 -12.108 18.307 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.652 -13.029 16.147 1.00 0.02 H new ATOM 157 N GLU A 11 -4.908 -5.721 20.909 1.00 0.00 N ATOM 158 CA GLU A 11 -4.094 -4.717 21.657 1.00 0.02 C ATOM 159 C GLU A 11 -2.747 -5.296 22.099 1.00 0.03 C ATOM 160 O GLU A 11 -1.791 -4.561 22.253 1.00 0.03 O ATOM 161 CB GLU A 11 -4.862 -4.264 22.907 1.00 0.00 C ATOM 162 CG GLU A 11 -6.014 -3.338 22.514 1.00 0.00 C ATOM 163 CD GLU A 11 -6.608 -2.700 23.771 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.627 -3.361 24.796 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.034 -1.560 23.686 1.00 0.02 O ATOM 0 H GLU A 11 -5.749 -6.042 21.389 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.910 -3.877 20.988 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.250 -5.133 23.439 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.187 -3.747 23.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.657 -2.564 21.835 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.781 -3.900 21.982 1.00 0.00 H new ATOM 172 N ASP A 12 -2.645 -6.589 22.313 1.00 0.02 N ATOM 173 CA ASP A 12 -1.334 -7.177 22.754 1.00 0.01 C ATOM 174 C ASP A 12 -0.772 -8.102 21.673 1.00 0.02 C ATOM 175 O ASP A 12 -1.425 -8.428 20.702 1.00 0.02 O ATOM 176 CB ASP A 12 -1.532 -7.986 24.039 1.00 0.01 C ATOM 177 CG ASP A 12 -0.168 -8.383 24.607 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.742 -7.573 24.531 1.00 0.03 O ATOM 179 OD2 ASP A 12 -0.056 -9.490 25.105 1.00 0.02 O ATOM 0 H ASP A 12 -3.406 -7.259 22.203 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.635 -6.360 22.931 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.085 -7.397 24.771 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.125 -8.877 23.833 1.00 0.01 H new ATOM 184 N ARG A 13 0.451 -8.511 21.853 1.00 0.02 N ATOM 185 CA ARG A 13 1.119 -9.407 20.868 1.00 0.02 C ATOM 186 C ARG A 13 0.578 -10.833 21.004 1.00 0.00 C ATOM 187 O ARG A 13 0.052 -11.217 22.029 1.00 0.02 O ATOM 188 CB ARG A 13 2.622 -9.403 21.158 1.00 0.00 C ATOM 189 CG ARG A 13 3.233 -8.086 20.671 1.00 0.01 C ATOM 190 CD ARG A 13 4.638 -7.923 21.255 1.00 0.02 C ATOM 191 NE ARG A 13 5.151 -6.562 20.935 1.00 0.03 N ATOM 192 CZ ARG A 13 6.188 -6.090 21.570 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.782 -6.816 22.477 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.631 -4.895 21.297 1.00 0.02 N ATOM 0 H ARG A 13 1.027 -8.258 22.656 1.00 0.02 H new ATOM 0 HA ARG A 13 0.925 -9.054 19.855 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.797 -9.524 22.227 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.102 -10.245 20.659 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.278 -8.075 19.582 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.604 -7.248 20.972 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.614 -8.070 22.335 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.305 -8.681 20.844 1.00 0.02 H new ATOM 0 HE ARG A 13 4.691 -5.999 20.219 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.435 -7.752 22.689 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.593 -6.448 22.974 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.167 -4.329 20.587 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.442 -4.526 21.794 1.00 0.02 H new ATOM 208 N ASN A 14 0.720 -11.617 19.967 1.00 0.02 N ATOM 209 CA ASN A 14 0.241 -13.029 20.002 1.00 0.02 C ATOM 210 C ASN A 14 -1.287 -13.082 20.106 1.00 0.02 C ATOM 211 O ASN A 14 -1.856 -13.949 20.737 1.00 0.02 O ATOM 212 CB ASN A 14 0.896 -13.748 21.187 1.00 0.26 C ATOM 213 CG ASN A 14 2.331 -13.245 21.358 1.00 0.12 C ATOM 214 OD1 ASN A 14 3.222 -13.664 20.647 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.595 -12.356 22.279 1.00 0.46 N ATOM 0 H ASN A 14 1.153 -11.335 19.088 1.00 0.02 H new ATOM 0 HA ASN A 14 0.523 -13.531 19.076 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.325 -13.566 22.097 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.894 -14.825 21.019 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.549 -12.015 22.400 1.00 0.46 H new ATOM 0 HD22 ASN A 14 1.847 -12.003 22.877 1.00 0.46 H new ATOM 222 N PHE A 15 -1.931 -12.130 19.474 1.00 0.02 N ATOM 223 CA PHE A 15 -3.428 -12.036 19.461 1.00 0.02 C ATOM 224 C PHE A 15 -4.006 -12.137 20.872 1.00 0.00 C ATOM 225 O PHE A 15 -4.983 -12.818 21.114 1.00 0.02 O ATOM 226 CB PHE A 15 -4.044 -13.115 18.548 1.00 0.02 C ATOM 227 CG PHE A 15 -3.399 -14.459 18.780 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.917 -15.326 19.750 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.281 -14.838 18.028 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.318 -16.572 19.968 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.682 -16.085 18.246 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.200 -16.952 19.216 1.00 0.02 C ATOM 0 H PHE A 15 -1.466 -11.390 18.949 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.688 -11.057 19.059 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.115 -13.186 18.736 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.922 -12.825 17.504 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.779 -15.033 20.330 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -1.881 -14.169 17.280 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.718 -17.240 20.716 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.820 -16.378 17.665 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.737 -17.913 19.384 1.00 0.02 H new ATOM 242 N GLN A 16 -3.414 -11.428 21.794 1.00 0.02 N ATOM 243 CA GLN A 16 -3.909 -11.418 23.204 1.00 0.02 C ATOM 244 C GLN A 16 -4.441 -10.013 23.510 1.00 0.02 C ATOM 245 O GLN A 16 -4.187 -9.076 22.778 1.00 0.02 O ATOM 246 CB GLN A 16 -2.747 -11.738 24.150 1.00 0.02 C ATOM 247 CG GLN A 16 -2.463 -13.241 24.117 1.00 0.00 C ATOM 248 CD GLN A 16 -1.131 -13.523 24.815 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.108 -12.989 24.433 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.099 -14.345 25.827 1.00 0.02 N ATOM 0 H GLN A 16 -2.594 -10.845 21.628 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.696 -12.160 23.338 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.858 -11.182 23.852 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.993 -11.426 25.165 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.268 -13.785 24.612 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.427 -13.593 23.086 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.957 -14.793 26.147 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.216 -14.540 26.298 1.00 0.02 H new ATOM 259 N GLY A 17 -5.174 -9.847 24.580 1.00 0.03 N ATOM 260 CA GLY A 17 -5.705 -8.489 24.915 1.00 0.03 C ATOM 261 C GLY A 17 -7.063 -8.252 24.245 1.00 0.02 C ATOM 262 O GLY A 17 -7.678 -9.160 23.722 1.00 0.02 O ATOM 0 H GLY A 17 -5.428 -10.587 25.234 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.806 -8.390 25.996 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.997 -7.727 24.590 1.00 0.03 H new ATOM 266 N ARG A 18 -7.524 -7.029 24.248 1.00 0.00 N ATOM 267 CA ARG A 18 -8.833 -6.707 23.605 1.00 0.02 C ATOM 268 C ARG A 18 -8.703 -6.863 22.090 1.00 0.02 C ATOM 269 O ARG A 18 -7.679 -6.555 21.510 1.00 0.02 O ATOM 270 CB ARG A 18 -9.219 -5.261 23.937 1.00 0.79 C ATOM 271 CG ARG A 18 -10.707 -5.042 23.629 1.00 1.49 C ATOM 272 CD ARG A 18 -10.995 -3.546 23.479 1.00 1.42 C ATOM 273 NE ARG A 18 -10.266 -2.787 24.534 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.116 -1.495 24.420 1.00 2.35 C ATOM 275 NH1 ARG A 18 -10.599 -0.871 23.381 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.482 -0.827 25.346 1.00 2.76 N ATOM 0 H ARG A 18 -7.047 -6.233 24.671 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.601 -7.384 23.978 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.020 -5.053 24.988 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.611 -4.569 23.355 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.978 -5.567 22.713 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.318 -5.460 24.429 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.686 -3.203 22.491 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -12.066 -3.362 23.559 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.885 -3.276 25.344 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.094 -1.392 22.658 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -10.482 0.138 23.292 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -9.104 -1.315 26.158 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.365 0.182 25.257 1.00 2.76 H new ATOM 290 N ARG A 19 -9.736 -7.357 21.447 1.00 0.02 N ATOM 291 CA ARG A 19 -9.693 -7.565 19.965 1.00 0.02 C ATOM 292 C ARG A 19 -10.791 -6.744 19.283 1.00 0.02 C ATOM 293 O ARG A 19 -11.856 -6.531 19.828 1.00 0.02 O ATOM 294 CB ARG A 19 -9.935 -9.049 19.672 1.00 0.85 C ATOM 295 CG ARG A 19 -9.658 -9.340 18.193 1.00 1.31 C ATOM 296 CD ARG A 19 -10.137 -10.756 17.849 1.00 1.34 C ATOM 297 NE ARG A 19 -9.960 -11.645 19.032 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.566 -12.800 19.077 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.335 -13.172 18.091 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.405 -13.582 20.109 1.00 1.89 N ATOM 0 H ARG A 19 -10.614 -7.627 21.891 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.721 -7.249 19.585 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.289 -9.663 20.300 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.963 -9.314 19.918 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.170 -8.610 17.566 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.592 -9.246 17.987 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.185 -10.734 17.552 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.573 -11.145 17.001 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.365 -11.351 19.807 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -11.463 -12.560 17.285 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.809 -14.075 18.126 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.805 -13.291 20.881 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.879 -14.485 20.144 1.00 1.89 H new ATOM 314 N TYR A 20 -10.536 -6.304 18.076 1.00 0.02 N ATOM 315 CA TYR A 20 -11.549 -5.515 17.308 1.00 0.02 C ATOM 316 C TYR A 20 -11.643 -6.100 15.897 1.00 0.02 C ATOM 317 O TYR A 20 -10.650 -6.261 15.220 1.00 0.02 O ATOM 318 CB TYR A 20 -11.120 -4.047 17.231 1.00 0.02 C ATOM 319 CG TYR A 20 -12.052 -3.293 16.306 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.412 -3.185 16.621 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.557 -2.703 15.134 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.276 -2.489 15.767 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.422 -2.008 14.281 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.782 -1.900 14.597 1.00 0.02 C ATOM 325 OH TYR A 20 -14.634 -1.215 13.756 1.00 0.01 O ATOM 0 H TYR A 20 -9.657 -6.460 17.583 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.518 -5.568 17.804 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.138 -3.600 18.225 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.095 -3.976 16.868 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.795 -3.639 17.523 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.508 -2.785 14.890 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.325 -2.406 16.011 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.040 -1.555 13.378 1.00 0.02 H new ATOM 0 HH TYR A 20 -15.364 -0.822 14.279 1.00 0.01 H new ATOM 335 N ASP A 21 -12.832 -6.433 15.458 1.00 0.01 N ATOM 336 CA ASP A 21 -13.017 -7.031 14.097 1.00 0.02 C ATOM 337 C ASP A 21 -13.759 -6.045 13.196 1.00 0.00 C ATOM 338 O ASP A 21 -14.717 -5.417 13.602 1.00 0.01 O ATOM 339 CB ASP A 21 -13.841 -8.312 14.229 1.00 0.12 C ATOM 340 CG ASP A 21 -13.043 -9.353 15.018 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.012 -8.994 15.560 1.00 0.56 O ATOM 342 OD2 ASP A 21 -13.477 -10.492 15.065 1.00 1.12 O ATOM 0 H ASP A 21 -13.694 -6.315 15.991 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.044 -7.254 13.659 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.783 -8.101 14.735 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.090 -8.701 13.241 1.00 0.12 H new ATOM 347 N CYS A 22 -13.308 -5.903 11.972 1.00 0.01 N ATOM 348 CA CYS A 22 -13.963 -4.953 11.017 1.00 0.00 C ATOM 349 C CYS A 22 -14.225 -5.664 9.688 1.00 0.02 C ATOM 350 O CYS A 22 -13.402 -6.412 9.192 1.00 0.01 O ATOM 351 CB CYS A 22 -13.043 -3.750 10.800 1.00 0.00 C ATOM 352 SG CYS A 22 -13.979 -2.405 10.031 1.00 0.02 S ATOM 0 H CYS A 22 -12.508 -6.408 11.591 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.914 -4.610 11.426 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.627 -3.420 11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.202 -4.031 10.166 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.790 -2.425 8.745 1.00 0.02 H new ATOM 358 N ASP A 23 -15.380 -5.435 9.113 1.00 0.01 N ATOM 359 CA ASP A 23 -15.745 -6.086 7.814 1.00 0.02 C ATOM 360 C ASP A 23 -15.920 -5.014 6.738 1.00 0.00 C ATOM 361 O ASP A 23 -16.398 -5.282 5.653 1.00 0.02 O ATOM 362 CB ASP A 23 -17.059 -6.850 7.991 1.00 0.16 C ATOM 363 CG ASP A 23 -16.815 -8.088 8.854 1.00 0.17 C ATOM 364 OD1 ASP A 23 -15.989 -8.901 8.473 1.00 0.17 O ATOM 365 OD2 ASP A 23 -17.460 -8.204 9.884 1.00 0.20 O ATOM 0 H ASP A 23 -16.096 -4.816 9.493 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.956 -6.775 7.512 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.805 -6.208 8.459 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.456 -7.143 7.019 1.00 0.16 H new ATOM 370 N CYS A 24 -15.522 -3.804 7.022 1.00 0.01 N ATOM 371 CA CYS A 24 -15.648 -2.715 6.012 1.00 0.01 C ATOM 372 C CYS A 24 -14.646 -1.615 6.368 1.00 0.01 C ATOM 373 O CYS A 24 -13.994 -1.678 7.391 1.00 0.01 O ATOM 374 CB CYS A 24 -17.068 -2.149 6.036 1.00 0.62 C ATOM 375 SG CYS A 24 -17.322 -1.223 7.571 1.00 1.23 S ATOM 0 H CYS A 24 -15.114 -3.522 7.913 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.444 -3.102 5.014 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.226 -1.499 5.176 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.795 -2.958 5.962 1.00 0.62 H new ATOM 0 HG CYS A 24 -16.494 -0.222 7.616 1.00 1.23 H new ATOM 381 N ASP A 25 -14.503 -0.612 5.548 1.00 0.02 N ATOM 382 CA ASP A 25 -13.530 0.467 5.870 1.00 0.01 C ATOM 383 C ASP A 25 -13.919 1.145 7.181 1.00 0.02 C ATOM 384 O ASP A 25 -15.084 1.324 7.479 1.00 0.00 O ATOM 385 CB ASP A 25 -13.540 1.510 4.752 1.00 0.01 C ATOM 386 CG ASP A 25 -14.983 1.902 4.433 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.868 1.458 5.148 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.180 2.638 3.483 1.00 0.01 O ATOM 0 H ASP A 25 -15.015 -0.493 4.674 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.536 0.031 5.966 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.972 2.389 5.055 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.056 1.109 3.862 1.00 0.01 H new ATOM 393 N CYS A 26 -12.944 1.548 7.957 1.00 0.01 N ATOM 394 CA CYS A 26 -13.228 2.249 9.249 1.00 0.01 C ATOM 395 C CYS A 26 -12.356 3.503 9.320 1.00 0.01 C ATOM 396 O CYS A 26 -11.142 3.427 9.317 1.00 0.01 O ATOM 397 CB CYS A 26 -12.912 1.322 10.425 1.00 0.01 C ATOM 398 SG CYS A 26 -13.721 1.948 11.918 1.00 0.02 S ATOM 0 H CYS A 26 -11.954 1.420 7.749 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.281 2.526 9.301 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.257 0.311 10.208 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.834 1.265 10.578 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.824 0.989 12.790 1.00 0.02 H new ATOM 404 N ALA A 27 -12.963 4.660 9.349 1.00 0.01 N ATOM 405 CA ALA A 27 -12.167 5.919 9.376 1.00 0.01 C ATOM 406 C ALA A 27 -11.601 6.171 10.772 1.00 0.01 C ATOM 407 O ALA A 27 -10.618 6.868 10.932 1.00 0.02 O ATOM 408 CB ALA A 27 -13.057 7.094 8.968 1.00 0.24 C ATOM 0 H ALA A 27 -13.975 4.786 9.355 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.337 5.821 8.676 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.475 8.015 8.988 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.440 6.928 7.961 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.892 7.177 9.664 1.00 0.24 H new ATOM 414 N ASP A 28 -12.214 5.618 11.783 1.00 0.01 N ATOM 415 CA ASP A 28 -11.716 5.823 13.172 1.00 0.02 C ATOM 416 C ASP A 28 -12.204 4.661 14.045 1.00 0.01 C ATOM 417 O ASP A 28 -13.337 4.634 14.483 1.00 0.02 O ATOM 418 CB ASP A 28 -12.259 7.141 13.726 1.00 0.67 C ATOM 419 CG ASP A 28 -11.538 7.478 15.031 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.750 6.659 15.476 1.00 1.14 O ATOM 421 OD2 ASP A 28 -11.785 8.547 15.563 1.00 0.87 O ATOM 0 H ASP A 28 -13.043 5.029 11.705 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.627 5.859 13.173 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.113 7.941 13.000 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.332 7.060 13.901 1.00 0.67 H new ATOM 426 N PHE A 29 -11.347 3.706 14.304 1.00 0.02 N ATOM 427 CA PHE A 29 -11.728 2.533 15.157 1.00 0.02 C ATOM 428 C PHE A 29 -11.097 2.674 16.544 1.00 0.00 C ATOM 429 O PHE A 29 -11.084 1.759 17.346 1.00 0.02 O ATOM 430 CB PHE A 29 -11.291 1.226 14.489 1.00 2.87 C ATOM 431 CG PHE A 29 -9.789 1.104 14.482 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.043 1.711 13.465 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.144 0.361 15.477 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.651 1.575 13.445 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.751 0.229 15.457 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.009 0.834 14.441 1.00 6.37 C ATOM 0 H PHE A 29 -10.388 3.687 13.958 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.812 2.509 15.269 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.727 0.379 15.018 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.668 1.191 13.467 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.541 2.284 12.697 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.721 -0.110 16.259 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.073 2.042 12.661 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.251 -0.340 16.227 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.934 0.729 14.425 1.00 6.37 H new ATOM 446 N ARG A 30 -10.550 3.828 16.812 1.00 0.01 N ATOM 447 CA ARG A 30 -9.890 4.075 18.123 1.00 0.00 C ATOM 448 C ARG A 30 -10.877 3.884 19.280 1.00 0.01 C ATOM 449 O ARG A 30 -10.479 3.638 20.401 1.00 0.02 O ATOM 450 CB ARG A 30 -9.352 5.509 18.160 1.00 0.32 C ATOM 451 CG ARG A 30 -8.126 5.634 17.238 1.00 0.86 C ATOM 452 CD ARG A 30 -6.879 4.995 17.881 1.00 1.62 C ATOM 453 NE ARG A 30 -6.807 3.555 17.505 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.695 2.894 17.672 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.649 3.495 18.172 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.628 1.634 17.338 1.00 3.02 N ATOM 0 H ARG A 30 -10.533 4.620 16.169 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.075 3.360 18.236 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.128 6.206 17.844 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.079 5.778 19.180 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.335 5.151 16.283 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -7.932 6.686 17.027 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -5.980 5.514 17.549 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -6.924 5.097 18.965 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.626 3.087 17.118 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -4.702 4.480 18.431 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -3.779 2.979 18.303 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -6.445 1.166 16.946 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.758 1.117 17.469 1.00 3.02 H new ATOM 470 N SER A 31 -12.159 4.010 19.038 1.00 0.02 N ATOM 471 CA SER A 31 -13.143 3.850 20.150 1.00 0.02 C ATOM 472 C SER A 31 -13.304 2.372 20.503 1.00 0.01 C ATOM 473 O SER A 31 -13.816 2.025 21.549 1.00 0.02 O ATOM 474 CB SER A 31 -14.497 4.415 19.712 1.00 0.37 C ATOM 475 OG SER A 31 -15.226 3.406 19.026 1.00 0.88 O ATOM 0 H SER A 31 -12.563 4.215 18.124 1.00 0.02 H new ATOM 0 HA SER A 31 -12.781 4.388 21.026 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.059 4.759 20.580 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.351 5.279 19.064 1.00 0.37 H new ATOM 0 HG SER A 31 -14.763 3.177 18.193 1.00 0.88 H new ATOM 481 N TYR A 32 -12.882 1.500 19.628 1.00 0.01 N ATOM 482 CA TYR A 32 -13.017 0.033 19.886 1.00 0.01 C ATOM 483 C TYR A 32 -11.655 -0.534 20.272 1.00 0.02 C ATOM 484 O TYR A 32 -11.556 -1.588 20.868 1.00 0.02 O ATOM 485 CB TYR A 32 -13.497 -0.651 18.605 1.00 0.02 C ATOM 486 CG TYR A 32 -14.748 0.030 18.099 1.00 0.02 C ATOM 487 CD1 TYR A 32 -14.655 1.262 17.440 1.00 0.01 C ATOM 488 CD2 TYR A 32 -16.000 -0.571 18.285 1.00 0.01 C ATOM 489 CE1 TYR A 32 -15.813 1.892 16.968 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.156 0.059 17.813 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.062 1.292 17.154 1.00 0.02 C ATOM 492 OH TYR A 32 -18.203 1.913 16.686 1.00 0.02 O ATOM 0 H TYR A 32 -12.446 1.741 18.738 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.730 -0.139 20.692 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.717 -0.609 17.845 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.698 -1.705 18.798 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -13.691 1.726 17.296 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -16.072 -1.521 18.793 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -15.741 2.842 16.460 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.121 -0.405 17.956 1.00 0.00 H new ATOM 0 HH TYR A 32 -18.985 1.362 16.897 1.00 0.02 H new ATOM 502 N LEU A 33 -10.601 0.142 19.908 1.00 0.02 N ATOM 503 CA LEU A 33 -9.233 -0.368 20.215 1.00 0.02 C ATOM 504 C LEU A 33 -8.282 0.819 20.430 1.00 0.02 C ATOM 505 O LEU A 33 -8.187 1.711 19.614 1.00 0.02 O ATOM 506 CB LEU A 33 -8.764 -1.163 18.990 1.00 1.66 C ATOM 507 CG LEU A 33 -7.616 -2.128 19.372 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.170 -3.514 19.733 1.00 3.32 C ATOM 509 CD2 LEU A 33 -6.653 -2.271 18.191 1.00 2.80 C ATOM 0 H LEU A 33 -10.627 1.031 19.408 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.241 -0.987 21.112 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.599 -1.729 18.576 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.426 -0.478 18.213 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.094 -1.717 20.236 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.347 -4.177 19.998 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -8.851 -3.424 20.579 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -8.706 -3.926 18.878 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -5.845 -2.951 18.461 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.190 -2.669 17.330 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.238 -1.295 17.940 1.00 2.80 H new ATOM 521 N SER A 34 -7.597 0.838 21.547 1.00 0.02 N ATOM 522 CA SER A 34 -6.670 1.971 21.853 1.00 0.02 C ATOM 523 C SER A 34 -5.280 1.737 21.246 1.00 0.00 C ATOM 524 O SER A 34 -4.457 2.630 21.212 1.00 0.01 O ATOM 525 CB SER A 34 -6.539 2.113 23.370 1.00 0.02 C ATOM 526 OG SER A 34 -7.830 2.052 23.961 1.00 0.02 O ATOM 0 H SER A 34 -7.641 0.113 22.264 1.00 0.02 H new ATOM 0 HA SER A 34 -7.083 2.880 21.417 1.00 0.02 H new ATOM 0 HB2 SER A 34 -5.907 1.319 23.768 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.057 3.059 23.618 1.00 0.02 H new ATOM 0 HG SER A 34 -7.749 2.141 24.934 1.00 0.02 H new ATOM 532 N ARG A 35 -5.004 0.552 20.772 1.00 0.02 N ATOM 533 CA ARG A 35 -3.665 0.268 20.175 1.00 0.01 C ATOM 534 C ARG A 35 -3.735 -1.108 19.509 1.00 0.02 C ATOM 535 O ARG A 35 -4.597 -1.904 19.820 1.00 0.02 O ATOM 536 CB ARG A 35 -2.604 0.264 21.287 1.00 0.02 C ATOM 537 CG ARG A 35 -1.193 0.389 20.686 1.00 0.02 C ATOM 538 CD ARG A 35 -0.839 1.864 20.447 1.00 0.02 C ATOM 539 NE ARG A 35 -0.380 2.478 21.726 1.00 0.02 N ATOM 540 CZ ARG A 35 0.240 3.626 21.712 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.458 4.235 20.578 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.643 4.165 22.830 1.00 0.02 N ATOM 0 H ARG A 35 -5.651 -0.236 20.772 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.396 1.027 19.441 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.787 1.089 21.975 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.679 -0.657 21.866 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -0.463 -0.062 21.359 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.142 -0.160 19.746 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.057 1.944 19.692 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.708 2.400 20.065 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.551 2.001 22.611 1.00 0.02 H new ATOM 0 HH11 ARG A 35 0.144 3.813 19.704 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.943 5.132 20.566 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.473 3.689 23.716 1.00 0.02 H new ATOM 0 HH22 ARG A 35 1.128 5.062 22.818 1.00 0.02 H new ATOM 556 N CYS A 36 -2.837 -1.408 18.601 1.00 0.02 N ATOM 557 CA CYS A 36 -2.858 -2.742 17.920 1.00 0.02 C ATOM 558 C CYS A 36 -1.425 -3.243 17.737 1.00 0.02 C ATOM 559 O CYS A 36 -0.655 -2.640 17.016 1.00 0.02 O ATOM 560 CB CYS A 36 -3.509 -2.596 16.541 1.00 0.02 C ATOM 561 SG CYS A 36 -3.241 -4.108 15.585 1.00 0.02 S ATOM 0 H CYS A 36 -2.088 -0.784 18.301 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.423 -3.449 18.527 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.577 -2.406 16.649 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.085 -1.741 16.015 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.280 -5.136 16.379 1.00 0.02 H new ATOM 567 N ASN A 37 -1.042 -4.324 18.382 1.00 0.02 N ATOM 568 CA ASN A 37 0.365 -4.826 18.234 1.00 0.01 C ATOM 569 C ASN A 37 0.392 -6.112 17.402 1.00 0.02 C ATOM 570 O ASN A 37 1.438 -6.664 17.118 1.00 0.02 O ATOM 571 CB ASN A 37 0.962 -5.111 19.614 1.00 0.02 C ATOM 572 CG ASN A 37 0.756 -3.895 20.519 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.358 -3.449 20.712 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.791 -3.335 21.083 1.00 0.02 N ATOM 0 H ASN A 37 -1.638 -4.876 18.999 1.00 0.02 H new ATOM 0 HA ASN A 37 0.952 -4.060 17.727 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.488 -5.989 20.053 1.00 0.02 H new ATOM 0 HB3 ASN A 37 2.025 -5.334 19.523 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.665 -2.522 21.686 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.726 -3.710 20.920 1.00 0.02 H new ATOM 581 N SER A 38 -0.757 -6.569 16.983 1.00 0.02 N ATOM 582 CA SER A 38 -0.836 -7.796 16.140 1.00 0.02 C ATOM 583 C SER A 38 -2.133 -7.734 15.335 1.00 0.01 C ATOM 584 O SER A 38 -3.087 -7.090 15.728 1.00 0.02 O ATOM 585 CB SER A 38 -0.825 -9.052 17.013 1.00 0.01 C ATOM 586 OG SER A 38 0.470 -9.228 17.569 1.00 0.02 O ATOM 0 H SER A 38 -1.657 -6.137 17.192 1.00 0.02 H new ATOM 0 HA SER A 38 0.026 -7.842 15.474 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.565 -8.962 17.808 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.099 -9.924 16.419 1.00 0.01 H new ATOM 0 HG SER A 38 0.600 -10.171 17.804 1.00 0.02 H new ATOM 592 N ILE A 39 -2.174 -8.376 14.195 1.00 0.02 N ATOM 593 CA ILE A 39 -3.410 -8.330 13.351 1.00 0.02 C ATOM 594 C ILE A 39 -3.609 -9.667 12.640 1.00 0.02 C ATOM 595 O ILE A 39 -2.674 -10.324 12.225 1.00 0.02 O ATOM 596 CB ILE A 39 -3.266 -7.230 12.284 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.128 -5.866 12.972 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.511 -7.221 11.379 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.962 -4.762 11.928 1.00 0.00 C ATOM 0 H ILE A 39 -1.408 -8.929 13.812 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.264 -8.123 13.996 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.380 -7.427 11.680 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.008 -5.669 13.584 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.269 -5.874 13.643 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.407 -6.441 10.624 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.611 -8.189 10.889 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.398 -7.026 11.982 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.865 -3.799 12.429 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.068 -4.954 11.335 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.834 -4.745 11.275 1.00 0.00 H new ATOM 611 N ARG A 40 -4.850 -10.036 12.445 1.00 0.02 N ATOM 612 CA ARG A 40 -5.178 -11.287 11.702 1.00 0.02 C ATOM 613 C ARG A 40 -6.078 -10.909 10.526 1.00 0.01 C ATOM 614 O ARG A 40 -7.139 -10.346 10.710 1.00 0.02 O ATOM 615 CB ARG A 40 -5.907 -12.295 12.596 1.00 0.01 C ATOM 616 CG ARG A 40 -6.336 -13.505 11.762 1.00 0.02 C ATOM 617 CD ARG A 40 -6.808 -14.623 12.694 1.00 0.02 C ATOM 618 NE ARG A 40 -7.851 -14.094 13.616 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.614 -14.919 14.277 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.465 -16.206 14.126 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.527 -14.458 15.087 1.00 0.02 N ATOM 0 H ARG A 40 -5.661 -9.513 12.775 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.255 -11.755 11.361 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.255 -12.614 13.409 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.779 -11.827 13.052 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -7.137 -13.224 11.078 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.503 -13.853 11.151 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.209 -15.452 12.111 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.966 -15.014 13.266 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.968 -13.087 13.730 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.752 -16.566 13.491 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.061 -16.853 14.643 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -9.644 -13.451 15.203 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.124 -15.104 15.604 1.00 0.02 H new ATOM 635 N VAL A 41 -5.693 -11.251 9.325 1.00 0.02 N ATOM 636 CA VAL A 41 -6.556 -10.962 8.142 1.00 0.01 C ATOM 637 C VAL A 41 -7.151 -12.296 7.701 1.00 0.02 C ATOM 638 O VAL A 41 -6.442 -13.193 7.294 1.00 0.02 O ATOM 639 CB VAL A 41 -5.727 -10.333 7.024 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.655 -9.922 5.878 1.00 0.02 C ATOM 641 CG2 VAL A 41 -5.026 -9.085 7.569 1.00 0.00 C ATOM 0 H VAL A 41 -4.813 -11.721 9.111 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.346 -10.253 8.389 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.989 -11.049 6.662 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.068 -9.472 5.077 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.174 -10.801 5.497 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.385 -9.199 6.242 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.431 -8.628 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.772 -8.372 7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.375 -9.366 8.397 1.00 0.00 H new ATOM 651 N GLU A 42 -8.443 -12.445 7.817 1.00 0.01 N ATOM 652 CA GLU A 42 -9.081 -13.744 7.448 1.00 0.01 C ATOM 653 C GLU A 42 -9.345 -13.794 5.950 1.00 0.02 C ATOM 654 O GLU A 42 -9.279 -14.841 5.340 1.00 0.01 O ATOM 655 CB GLU A 42 -10.400 -13.902 8.206 1.00 0.99 C ATOM 656 CG GLU A 42 -10.113 -14.180 9.685 1.00 1.86 C ATOM 657 CD GLU A 42 -11.419 -14.527 10.402 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.311 -15.043 9.750 1.00 3.67 O ATOM 659 OE2 GLU A 42 -11.502 -14.273 11.592 1.00 3.81 O ATOM 0 H GLU A 42 -9.084 -11.725 8.151 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.406 -14.557 7.716 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.999 -12.997 8.105 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.981 -14.719 7.778 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.404 -15.002 9.780 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.653 -13.307 10.147 1.00 1.86 H new ATOM 666 N GLY A 43 -9.654 -12.686 5.343 1.00 0.01 N ATOM 667 CA GLY A 43 -9.929 -12.714 3.884 1.00 0.02 C ATOM 668 C GLY A 43 -9.822 -11.308 3.305 1.00 0.02 C ATOM 669 O GLY A 43 -10.114 -10.333 3.971 1.00 0.02 O ATOM 0 H GLY A 43 -9.728 -11.771 5.788 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.221 -13.376 3.385 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.925 -13.116 3.701 1.00 0.02 H new ATOM 673 N GLY A 44 -9.431 -11.195 2.069 1.00 0.00 N ATOM 674 CA GLY A 44 -9.328 -9.844 1.454 1.00 0.01 C ATOM 675 C GLY A 44 -7.981 -9.207 1.809 1.00 0.01 C ATOM 676 O GLY A 44 -7.233 -9.711 2.623 1.00 0.01 O ATOM 0 H GLY A 44 -9.179 -11.974 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.429 -9.920 0.371 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.143 -9.212 1.807 1.00 0.01 H new ATOM 680 N THR A 45 -7.703 -8.073 1.224 1.00 0.01 N ATOM 681 CA THR A 45 -6.439 -7.332 1.534 1.00 0.00 C ATOM 682 C THR A 45 -6.816 -5.957 2.073 1.00 0.01 C ATOM 683 O THR A 45 -7.754 -5.350 1.604 1.00 0.01 O ATOM 684 CB THR A 45 -5.603 -7.165 0.264 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.146 -8.438 -0.173 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.403 -6.260 0.560 1.00 1.48 C ATOM 0 H THR A 45 -8.304 -7.620 0.535 1.00 0.01 H new ATOM 0 HA THR A 45 -5.854 -7.886 2.268 1.00 0.00 H new ATOM 0 HB THR A 45 -6.213 -6.713 -0.518 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.612 -8.332 -0.988 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.806 -6.140 -0.344 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.757 -5.284 0.894 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.791 -6.711 1.341 1.00 1.48 H new ATOM 694 N TRP A 46 -6.150 -5.482 3.099 1.00 0.02 N ATOM 695 CA TRP A 46 -6.537 -4.164 3.699 1.00 0.01 C ATOM 696 C TRP A 46 -5.351 -3.208 3.796 1.00 0.01 C ATOM 697 O TRP A 46 -4.208 -3.596 3.927 1.00 0.01 O ATOM 698 CB TRP A 46 -7.083 -4.408 5.103 1.00 0.00 C ATOM 699 CG TRP A 46 -8.347 -5.197 5.011 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.427 -6.499 4.653 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.711 -4.760 5.271 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.753 -6.889 4.677 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.583 -5.852 5.054 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.270 -3.534 5.673 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.962 -5.733 5.226 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.657 -3.410 5.848 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.501 -4.507 5.625 1.00 0.01 C ATOM 0 H TRP A 46 -5.359 -5.947 3.545 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.287 -3.707 3.053 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.348 -4.945 5.703 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.270 -3.458 5.603 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.591 -7.131 4.391 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -10.078 -7.827 4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.628 -2.683 5.848 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.608 -6.581 5.052 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -12.077 -2.464 6.156 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.567 -4.405 5.762 1.00 0.01 H new ATOM 718 N ALA A 47 -5.663 -1.940 3.799 1.00 0.01 N ATOM 719 CA ALA A 47 -4.632 -0.878 3.962 1.00 0.01 C ATOM 720 C ALA A 47 -4.848 -0.334 5.366 1.00 0.01 C ATOM 721 O ALA A 47 -5.960 -0.041 5.755 1.00 0.01 O ATOM 722 CB ALA A 47 -4.837 0.226 2.922 1.00 0.24 C ATOM 0 H ALA A 47 -6.615 -1.589 3.692 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.621 -1.260 3.822 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.076 0.995 3.053 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.756 -0.198 1.921 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.825 0.668 3.050 1.00 0.24 H new ATOM 728 N VAL A 48 -3.792 -0.173 6.122 1.00 0.01 N ATOM 729 CA VAL A 48 -3.923 0.378 7.506 1.00 0.02 C ATOM 730 C VAL A 48 -3.178 1.707 7.589 1.00 0.01 C ATOM 731 O VAL A 48 -2.123 1.864 7.007 1.00 0.01 O ATOM 732 CB VAL A 48 -3.348 -0.611 8.518 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.163 -1.904 8.480 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.892 -0.918 8.162 1.00 0.65 C ATOM 0 H VAL A 48 -2.839 -0.401 5.839 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.976 0.538 7.737 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.394 -0.178 9.517 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.755 -2.612 9.201 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.201 -1.687 8.731 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.114 -2.336 7.480 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.482 -1.624 8.884 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.845 -1.353 7.163 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.310 0.003 8.184 1.00 0.65 H new ATOM 744 N TYR A 49 -3.722 2.666 8.298 1.00 0.01 N ATOM 745 CA TYR A 49 -3.056 4.001 8.415 1.00 0.01 C ATOM 746 C TYR A 49 -2.772 4.307 9.881 1.00 0.01 C ATOM 747 O TYR A 49 -3.512 3.937 10.777 1.00 0.02 O ATOM 748 CB TYR A 49 -3.970 5.070 7.820 1.00 0.01 C ATOM 749 CG TYR A 49 -4.232 4.736 6.369 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.179 3.760 6.036 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.530 5.404 5.358 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.422 3.450 4.692 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.773 5.093 4.014 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.719 4.116 3.682 1.00 0.02 C ATOM 755 OH TYR A 49 -4.959 3.812 2.356 1.00 0.01 O ATOM 0 H TYR A 49 -4.604 2.581 8.804 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.112 3.991 7.871 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.909 5.114 8.372 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.505 6.052 7.903 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.722 3.246 6.815 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.801 6.159 5.615 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.152 2.697 4.435 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.231 5.607 3.234 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.388 4.366 1.785 1.00 0.01 H new ATOM 765 N GLU A 50 -1.661 4.954 10.112 1.00 0.01 N ATOM 766 CA GLU A 50 -1.217 5.276 11.498 1.00 0.01 C ATOM 767 C GLU A 50 -2.191 6.235 12.190 1.00 0.01 C ATOM 768 O GLU A 50 -2.379 6.154 13.387 1.00 0.02 O ATOM 769 CB GLU A 50 0.174 5.923 11.416 1.00 0.02 C ATOM 770 CG GLU A 50 0.920 5.738 12.744 1.00 0.01 C ATOM 771 CD GLU A 50 1.485 4.316 12.825 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.032 3.474 12.065 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.363 4.093 13.642 1.00 0.01 O ATOM 0 H GLU A 50 -1.029 5.280 9.381 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.186 4.358 12.085 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.745 5.474 10.603 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.077 6.985 11.189 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.728 6.466 12.823 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.245 5.920 13.580 1.00 0.01 H new ATOM 780 N ARG A 51 -2.793 7.152 11.466 1.00 0.02 N ATOM 781 CA ARG A 51 -3.733 8.128 12.114 1.00 0.02 C ATOM 782 C ARG A 51 -5.107 8.054 11.416 1.00 0.01 C ATOM 783 O ARG A 51 -5.202 7.622 10.279 1.00 0.02 O ATOM 784 CB ARG A 51 -3.135 9.545 11.945 1.00 0.02 C ATOM 785 CG ARG A 51 -2.315 9.929 13.184 1.00 0.01 C ATOM 786 CD ARG A 51 -1.696 11.312 12.973 1.00 0.02 C ATOM 787 NE ARG A 51 -2.771 12.288 12.637 1.00 0.02 N ATOM 788 CZ ARG A 51 -2.530 13.569 12.695 1.00 0.02 C ATOM 789 NH1 ARG A 51 -1.346 13.994 13.045 1.00 0.02 N ATOM 790 NH2 ARG A 51 -3.472 14.423 12.404 1.00 0.01 N ATOM 0 H ARG A 51 -2.675 7.267 10.459 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.863 7.896 13.171 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.502 9.577 11.058 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.935 10.269 11.792 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.952 9.934 14.068 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.532 9.191 13.359 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.170 11.629 13.874 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.959 11.275 12.170 1.00 0.02 H new ATOM 0 HE ARG A 51 -3.695 11.955 12.362 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -0.611 13.325 13.273 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -1.156 14.995 13.091 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -4.396 14.089 12.131 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -3.284 15.425 12.449 1.00 0.01 H new ATOM 804 N PRO A 52 -6.167 8.478 12.093 1.00 0.02 N ATOM 805 CA PRO A 52 -7.541 8.443 11.506 1.00 0.02 C ATOM 806 C PRO A 52 -7.619 9.151 10.150 1.00 0.01 C ATOM 807 O PRO A 52 -6.736 9.881 9.750 1.00 0.02 O ATOM 808 CB PRO A 52 -8.388 9.168 12.578 1.00 0.02 C ATOM 809 CG PRO A 52 -7.445 9.675 13.684 1.00 0.01 C ATOM 810 CD PRO A 52 -6.073 9.017 13.484 1.00 0.01 C ATOM 0 HA PRO A 52 -7.882 7.430 11.293 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.931 10.001 12.132 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.132 8.490 12.996 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.356 10.760 13.639 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.845 9.428 14.667 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.260 9.736 13.586 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.893 8.227 14.213 1.00 0.01 H new ATOM 818 N ASN A 53 -8.714 8.941 9.469 1.00 0.02 N ATOM 819 CA ASN A 53 -8.942 9.595 8.150 1.00 0.02 C ATOM 820 C ASN A 53 -7.905 9.143 7.122 1.00 0.01 C ATOM 821 O ASN A 53 -7.472 9.902 6.276 1.00 0.01 O ATOM 822 CB ASN A 53 -8.878 11.117 8.321 1.00 0.01 C ATOM 823 CG ASN A 53 -9.523 11.795 7.109 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.672 12.188 7.160 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.828 11.949 6.016 1.00 0.01 N ATOM 0 H ASN A 53 -9.472 8.333 9.778 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.927 9.304 7.784 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.394 11.413 9.234 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.842 11.439 8.422 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.249 12.400 5.203 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.864 11.619 5.974 1.00 0.01 H new ATOM 832 N PHE A 54 -7.530 7.894 7.177 1.00 0.02 N ATOM 833 CA PHE A 54 -6.551 7.346 6.198 1.00 0.01 C ATOM 834 C PHE A 54 -5.368 8.304 6.016 1.00 0.01 C ATOM 835 O PHE A 54 -5.006 8.664 4.913 1.00 0.02 O ATOM 836 CB PHE A 54 -7.260 7.112 4.851 1.00 1.78 C ATOM 837 CG PHE A 54 -8.715 6.774 5.095 1.00 2.32 C ATOM 838 CD1 PHE A 54 -9.058 5.560 5.701 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.720 7.677 4.721 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.403 5.249 5.933 1.00 3.03 C ATOM 841 CE2 PHE A 54 -11.065 7.366 4.953 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.407 6.151 5.560 1.00 3.39 C ATOM 0 H PHE A 54 -7.865 7.222 7.868 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.162 6.400 6.576 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.183 8.003 4.228 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.774 6.301 4.309 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.285 4.863 5.990 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.456 8.614 4.253 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.667 4.312 6.400 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.838 8.062 4.664 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.444 5.910 5.740 1.00 3.39 H new ATOM 852 N SER A 55 -4.771 8.714 7.111 1.00 0.02 N ATOM 853 CA SER A 55 -3.601 9.654 7.046 1.00 0.02 C ATOM 854 C SER A 55 -2.411 9.062 7.806 1.00 0.01 C ATOM 855 O SER A 55 -2.556 8.131 8.576 1.00 0.01 O ATOM 856 CB SER A 55 -3.991 10.986 7.688 1.00 1.90 C ATOM 857 OG SER A 55 -5.014 11.599 6.916 1.00 2.33 O ATOM 0 H SER A 55 -5.045 8.437 8.054 1.00 0.02 H new ATOM 0 HA SER A 55 -3.322 9.808 6.004 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.338 10.823 8.708 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.122 11.642 7.748 1.00 1.90 H new ATOM 0 HG SER A 55 -5.790 11.003 6.869 1.00 2.33 H new ATOM 863 N GLY A 56 -1.229 9.583 7.585 1.00 0.02 N ATOM 864 CA GLY A 56 -0.021 9.043 8.281 1.00 0.02 C ATOM 865 C GLY A 56 0.583 7.901 7.457 1.00 0.02 C ATOM 866 O GLY A 56 0.318 7.772 6.278 1.00 0.00 O ATOM 0 H GLY A 56 -1.049 10.361 6.951 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.716 9.835 8.418 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.292 8.684 9.274 1.00 0.02 H new ATOM 870 N HIS A 57 1.407 7.081 8.054 1.00 0.02 N ATOM 871 CA HIS A 57 2.038 5.968 7.282 1.00 0.02 C ATOM 872 C HIS A 57 0.966 4.976 6.834 1.00 0.01 C ATOM 873 O HIS A 57 0.092 4.627 7.597 1.00 0.01 O ATOM 874 CB HIS A 57 3.060 5.250 8.163 1.00 0.00 C ATOM 875 CG HIS A 57 3.909 6.265 8.877 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.333 6.085 10.183 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.422 7.475 8.479 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.067 7.161 10.523 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.152 8.039 9.521 1.00 0.01 N ATOM 0 H HIS A 57 1.670 7.132 9.038 1.00 0.02 H new ATOM 0 HA HIS A 57 2.538 6.379 6.405 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.549 4.614 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.688 4.599 7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.281 7.921 7.506 1.00 0.01 H new ATOM 0 HE1 HIS A 57 5.531 7.297 11.489 1.00 0.02 H new ATOM 0 HE2 HIS A 57 5.646 8.931 9.519 1.00 0.01 H new ATOM 887 N MET A 58 1.041 4.512 5.605 1.00 0.02 N ATOM 888 CA MET A 58 0.033 3.529 5.090 1.00 0.02 C ATOM 889 C MET A 58 0.732 2.213 4.730 1.00 0.01 C ATOM 890 O MET A 58 1.788 2.199 4.129 1.00 0.01 O ATOM 891 CB MET A 58 -0.634 4.103 3.837 1.00 2.61 C ATOM 892 CG MET A 58 0.395 4.225 2.710 1.00 3.46 C ATOM 893 SD MET A 58 -0.218 5.376 1.455 1.00 4.50 S ATOM 894 CE MET A 58 -1.320 4.221 0.602 1.00 5.01 C ATOM 0 H MET A 58 1.763 4.775 4.934 1.00 0.02 H new ATOM 0 HA MET A 58 -0.717 3.343 5.859 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.455 3.458 3.524 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.063 5.081 4.058 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.346 4.578 3.108 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.579 3.248 2.264 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.826 4.736 -0.215 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.738 3.391 0.202 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.061 3.839 1.304 1.00 5.01 H new ATOM 904 N TYR A 59 0.143 1.106 5.102 1.00 0.02 N ATOM 905 CA TYR A 59 0.742 -0.236 4.803 1.00 0.01 C ATOM 906 C TYR A 59 -0.340 -1.166 4.247 1.00 0.01 C ATOM 907 O TYR A 59 -1.461 -1.185 4.711 1.00 0.02 O ATOM 908 CB TYR A 59 1.297 -0.846 6.088 1.00 0.01 C ATOM 909 CG TYR A 59 2.522 -0.080 6.521 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.780 -0.432 6.018 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.401 0.980 7.426 1.00 0.01 C ATOM 912 CE1 TYR A 59 4.918 0.276 6.423 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.538 1.689 7.829 1.00 0.01 C ATOM 914 CZ TYR A 59 4.797 1.336 7.328 1.00 0.01 C ATOM 915 OH TYR A 59 5.918 2.036 7.726 1.00 0.01 O ATOM 0 H TYR A 59 -0.742 1.072 5.608 1.00 0.02 H new ATOM 0 HA TYR A 59 1.542 -0.115 4.073 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.541 -0.817 6.873 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.549 -1.894 5.926 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.873 -1.249 5.318 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.430 1.251 7.814 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.889 0.004 6.037 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.445 2.508 8.526 1.00 0.01 H new ATOM 0 HH TYR A 59 5.657 2.740 8.356 1.00 0.01 H new ATOM 925 N ILE A 60 0.009 -1.953 3.258 1.00 0.02 N ATOM 926 CA ILE A 60 -0.969 -2.915 2.656 1.00 0.01 C ATOM 927 C ILE A 60 -0.779 -4.287 3.315 1.00 0.01 C ATOM 928 O ILE A 60 0.331 -4.763 3.452 1.00 0.01 O ATOM 929 CB ILE A 60 -0.720 -3.020 1.143 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.215 -1.743 0.450 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.480 -4.226 0.576 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.491 -0.518 1.016 1.00 1.72 C ATOM 0 H ILE A 60 0.938 -1.970 2.838 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.988 -2.567 2.822 1.00 0.01 H new ATOM 0 HB ILE A 60 0.348 -3.144 0.965 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.041 -1.813 -0.624 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.290 -1.637 0.593 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.301 -4.297 -0.497 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.132 -5.137 1.063 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.547 -4.102 0.758 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.851 0.381 0.516 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.687 -0.442 2.086 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.581 -0.620 0.850 1.00 1.72 H new ATOM 944 N LEU A 61 -1.852 -4.913 3.738 1.00 0.01 N ATOM 945 CA LEU A 61 -1.742 -6.252 4.412 1.00 0.01 C ATOM 946 C LEU A 61 -2.579 -7.308 3.645 1.00 0.01 C ATOM 947 O LEU A 61 -3.792 -7.272 3.703 1.00 0.00 O ATOM 948 CB LEU A 61 -2.294 -6.114 5.852 1.00 0.01 C ATOM 949 CG LEU A 61 -1.144 -5.927 6.863 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.737 -5.630 8.243 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.272 -7.204 6.933 1.00 0.01 C ATOM 0 H LEU A 61 -2.803 -4.555 3.646 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.700 -6.573 4.426 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.974 -5.264 5.906 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.872 -7.001 6.111 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.515 -5.097 6.542 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.931 -5.496 8.964 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.335 -4.720 8.194 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.368 -6.462 8.555 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.535 -7.055 7.651 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.887 -8.047 7.248 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.151 -7.410 5.950 1.00 0.01 H new ATOM 963 N PRO A 62 -1.968 -8.263 2.957 1.00 0.02 N ATOM 964 CA PRO A 62 -2.763 -9.308 2.252 1.00 0.01 C ATOM 965 C PRO A 62 -3.316 -10.329 3.259 1.00 0.00 C ATOM 966 O PRO A 62 -2.955 -10.319 4.420 1.00 0.02 O ATOM 967 CB PRO A 62 -1.725 -9.940 1.311 1.00 1.47 C ATOM 968 CG PRO A 62 -0.324 -9.527 1.800 1.00 1.29 C ATOM 969 CD PRO A 62 -0.484 -8.377 2.815 1.00 0.82 C ATOM 0 HA PRO A 62 -3.635 -8.924 1.722 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.823 -11.026 1.310 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.885 -9.604 0.286 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.181 -10.374 2.263 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.293 -9.208 0.960 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -0.003 -8.607 3.766 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -0.040 -7.451 2.450 1.00 0.82 H new ATOM 977 N GLN A 63 -4.187 -11.204 2.833 1.00 0.02 N ATOM 978 CA GLN A 63 -4.755 -12.209 3.777 1.00 0.00 C ATOM 979 C GLN A 63 -3.622 -12.931 4.512 1.00 0.00 C ATOM 980 O GLN A 63 -2.605 -13.254 3.931 1.00 0.02 O ATOM 981 CB GLN A 63 -5.581 -13.231 2.985 1.00 1.27 C ATOM 982 CG GLN A 63 -6.480 -14.031 3.934 1.00 1.67 C ATOM 983 CD GLN A 63 -5.623 -14.967 4.788 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.810 -15.061 5.984 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.680 -15.666 4.219 1.00 3.04 N ATOM 0 H GLN A 63 -4.529 -11.266 1.874 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.389 -11.704 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.190 -12.719 2.240 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.917 -13.906 2.445 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -7.044 -13.353 4.574 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.207 -14.608 3.362 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -4.523 -15.587 3.214 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.100 -16.291 4.779 1.00 3.04 H new ATOM 994 N GLY A 64 -3.782 -13.196 5.785 1.00 0.02 N ATOM 995 CA GLY A 64 -2.699 -13.903 6.530 1.00 0.01 C ATOM 996 C GLY A 64 -2.782 -13.589 8.026 1.00 0.02 C ATOM 997 O GLY A 64 -3.662 -12.886 8.484 1.00 0.02 O ATOM 0 H GLY A 64 -4.607 -12.956 6.334 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.784 -14.978 6.373 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.726 -13.600 6.143 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.857 -14.114 8.791 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.843 -13.872 10.269 1.00 0.02 C ATOM 1003 C GLU A 65 -0.522 -13.202 10.660 1.00 0.02 C ATOM 1004 O GLU A 65 0.548 -13.653 10.299 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.971 -15.227 10.988 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.554 -15.028 12.394 1.00 0.49 C ATOM 1007 CD GLU A 65 -1.769 -13.943 13.135 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -0.747 -14.271 13.715 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -2.203 -12.803 13.110 1.00 0.96 O ATOM 0 H GLU A 65 -1.101 -14.708 8.450 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.671 -13.222 10.553 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.612 -15.894 10.411 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.994 -15.705 11.056 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -3.605 -14.746 12.325 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.511 -15.964 12.951 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.597 -12.138 11.424 1.00 0.02 N ATOM 1017 CA TYR A 66 0.633 -11.428 11.882 1.00 0.02 C ATOM 1018 C TYR A 66 0.619 -11.404 13.422 1.00 0.02 C ATOM 1019 O TYR A 66 0.021 -10.524 14.014 1.00 0.02 O ATOM 1020 CB TYR A 66 0.592 -9.997 11.343 1.00 0.01 C ATOM 1021 CG TYR A 66 0.603 -10.049 9.833 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.573 -10.350 9.134 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.789 -9.805 9.133 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.560 -10.406 7.735 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.802 -9.862 7.734 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.627 -10.162 7.035 1.00 0.02 C ATOM 1027 OH TYR A 66 0.639 -10.218 5.657 1.00 0.01 O ATOM 0 H TYR A 66 -1.472 -11.728 11.752 1.00 0.02 H new ATOM 0 HA TYR A 66 1.534 -11.926 11.525 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.303 -9.485 11.697 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.449 -9.431 11.708 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.489 -10.539 9.674 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.696 -9.572 9.672 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.467 -10.638 7.196 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.719 -9.675 7.194 1.00 0.02 H new ATOM 0 HH TYR A 66 1.542 -10.023 5.330 1.00 0.01 H new ATOM 1037 N PRO A 67 1.249 -12.365 14.078 1.00 0.01 N ATOM 1038 CA PRO A 67 1.246 -12.408 15.570 1.00 0.02 C ATOM 1039 C PRO A 67 1.973 -11.225 16.229 1.00 0.02 C ATOM 1040 O PRO A 67 1.969 -11.102 17.437 1.00 0.02 O ATOM 1041 CB PRO A 67 1.960 -13.745 15.879 1.00 0.02 C ATOM 1042 CG PRO A 67 2.278 -14.448 14.544 1.00 0.02 C ATOM 1043 CD PRO A 67 1.979 -13.470 13.395 1.00 0.01 C ATOM 0 HA PRO A 67 0.235 -12.337 15.971 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.877 -13.564 16.440 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.326 -14.379 16.500 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.323 -14.756 14.517 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.677 -15.351 14.439 1.00 0.02 H new ATOM 0 HD2 PRO A 67 2.893 -13.116 12.918 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.373 -13.934 12.617 1.00 0.01 H new ATOM 1051 N GLU A 68 2.580 -10.345 15.477 1.00 0.01 N ATOM 1052 CA GLU A 68 3.270 -9.187 16.114 1.00 0.01 C ATOM 1053 C GLU A 68 3.369 -8.070 15.076 1.00 0.03 C ATOM 1054 O GLU A 68 3.351 -8.302 13.885 1.00 0.02 O ATOM 1055 CB GLU A 68 4.682 -9.586 16.558 1.00 0.69 C ATOM 1056 CG GLU A 68 4.602 -10.567 17.731 1.00 1.09 C ATOM 1057 CD GLU A 68 5.978 -10.691 18.389 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.862 -9.937 18.017 1.00 1.55 O ATOM 1059 OE2 GLU A 68 6.125 -11.540 19.253 1.00 2.02 O ATOM 0 H GLU A 68 2.628 -10.377 14.459 1.00 0.01 H new ATOM 0 HA GLU A 68 2.709 -8.859 16.989 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.219 -10.043 15.726 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.244 -8.700 16.852 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.869 -10.220 18.459 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.266 -11.543 17.380 1.00 1.09 H new ATOM 1066 N TYR A 69 3.422 -6.853 15.533 1.00 0.02 N ATOM 1067 CA TYR A 69 3.454 -5.703 14.590 1.00 0.02 C ATOM 1068 C TYR A 69 4.671 -5.756 13.663 1.00 0.01 C ATOM 1069 O TYR A 69 4.587 -5.427 12.496 1.00 0.01 O ATOM 1070 CB TYR A 69 3.422 -4.389 15.376 1.00 0.02 C ATOM 1071 CG TYR A 69 4.733 -4.184 16.097 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.997 -4.881 17.282 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.682 -3.290 15.585 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.208 -4.684 17.956 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.894 -3.094 16.258 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.158 -3.790 17.443 1.00 0.02 C ATOM 1077 OH TYR A 69 8.351 -3.596 18.108 1.00 0.01 O ATOM 0 H TYR A 69 3.445 -6.604 16.522 1.00 0.02 H new ATOM 0 HA TYR A 69 2.571 -5.762 13.954 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.236 -3.555 14.699 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.602 -4.405 16.094 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.266 -5.571 17.676 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.479 -2.752 14.671 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.410 -5.221 18.871 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.626 -2.405 15.862 1.00 0.02 H new ATOM 0 HH TYR A 69 8.897 -2.946 17.618 1.00 0.01 H new ATOM 1087 N GLN A 70 5.804 -6.159 14.171 1.00 0.01 N ATOM 1088 CA GLN A 70 7.028 -6.231 13.322 1.00 0.02 C ATOM 1089 C GLN A 70 6.818 -7.203 12.153 1.00 0.01 C ATOM 1090 O GLN A 70 7.442 -7.092 11.119 1.00 0.02 O ATOM 1091 CB GLN A 70 8.200 -6.728 14.172 1.00 0.01 C ATOM 1092 CG GLN A 70 8.312 -5.875 15.437 1.00 0.01 C ATOM 1093 CD GLN A 70 9.477 -6.381 16.292 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.580 -6.531 15.807 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.277 -6.649 17.554 1.00 0.02 N ATOM 0 H GLN A 70 5.935 -6.443 15.142 1.00 0.01 H new ATOM 0 HA GLN A 70 7.238 -5.237 12.926 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.052 -7.774 14.438 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.126 -6.673 13.600 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.469 -4.830 15.171 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.383 -5.923 16.004 1.00 0.01 H new ATOM 0 HE21 GLN A 70 8.350 -6.523 17.962 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.047 -6.984 18.132 1.00 0.02 H new ATOM 1104 N ARG A 71 5.927 -8.147 12.307 1.00 0.01 N ATOM 1105 CA ARG A 71 5.671 -9.119 11.202 1.00 0.02 C ATOM 1106 C ARG A 71 4.979 -8.391 10.049 1.00 0.01 C ATOM 1107 O ARG A 71 4.947 -8.854 8.926 1.00 0.02 O ATOM 1108 CB ARG A 71 4.788 -10.265 11.706 1.00 0.34 C ATOM 1109 CG ARG A 71 4.829 -11.438 10.712 1.00 0.72 C ATOM 1110 CD ARG A 71 6.251 -12.043 10.632 1.00 1.04 C ATOM 1111 NE ARG A 71 6.168 -13.535 10.489 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.589 -14.280 11.390 1.00 2.47 C ATOM 1113 NH1 ARG A 71 5.152 -13.749 12.498 1.00 2.54 N ATOM 1114 NH2 ARG A 71 5.475 -15.565 11.196 1.00 3.42 N ATOM 0 H ARG A 71 5.367 -8.287 13.148 1.00 0.01 H new ATOM 0 HA ARG A 71 6.616 -9.536 10.855 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.132 -10.596 12.686 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.762 -9.918 11.829 1.00 0.34 H new ATOM 0 HG2 ARG A 71 4.119 -12.206 11.020 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.519 -11.095 9.725 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.789 -11.618 9.785 1.00 1.04 H new ATOM 0 HD3 ARG A 71 6.815 -11.786 11.529 1.00 1.04 H new ATOM 0 HE ARG A 71 6.575 -13.978 9.665 1.00 1.67 H new ATOM 0 HH11 ARG A 71 5.262 -12.748 12.662 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.700 -14.334 13.200 1.00 2.54 H new ATOM 0 HH21 ARG A 71 5.838 -15.986 10.341 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.023 -16.149 11.899 1.00 3.42 H new ATOM 1128 N TRP A 72 4.425 -7.247 10.341 1.00 0.02 N ATOM 1129 CA TRP A 72 3.716 -6.435 9.309 1.00 0.01 C ATOM 1130 C TRP A 72 4.612 -5.231 8.981 1.00 0.01 C ATOM 1131 O TRP A 72 4.209 -4.285 8.337 1.00 0.02 O ATOM 1132 CB TRP A 72 2.351 -6.024 9.916 1.00 0.02 C ATOM 1133 CG TRP A 72 1.913 -4.657 9.489 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.613 -4.289 8.224 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.693 -3.481 10.322 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.236 -2.958 8.225 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.269 -2.417 9.495 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.823 -3.238 11.701 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.985 -1.154 10.015 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.536 -1.968 12.229 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.119 -0.928 11.388 1.00 0.02 C ATOM 0 H TRP A 72 4.434 -6.831 11.272 1.00 0.02 H new ATOM 0 HA TRP A 72 3.527 -6.974 8.381 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.594 -6.751 9.622 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.418 -6.056 11.003 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.660 -4.929 7.355 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.966 -2.439 7.389 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.145 -4.032 12.358 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.664 -0.356 9.361 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.637 -1.792 13.290 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.901 0.046 11.800 1.00 0.02 H new ATOM 1152 N MET A 73 5.836 -5.284 9.436 1.00 0.02 N ATOM 1153 CA MET A 73 6.804 -4.177 9.184 1.00 0.02 C ATOM 1154 C MET A 73 6.279 -2.868 9.783 1.00 0.01 C ATOM 1155 O MET A 73 6.669 -1.787 9.388 1.00 0.02 O ATOM 1156 CB MET A 73 7.031 -3.999 7.675 1.00 0.02 C ATOM 1157 CG MET A 73 7.444 -5.332 7.038 1.00 0.01 C ATOM 1158 SD MET A 73 7.108 -5.275 5.259 1.00 0.01 S ATOM 1159 CE MET A 73 8.052 -3.775 4.896 1.00 0.01 C ATOM 0 H MET A 73 6.211 -6.061 9.980 1.00 0.02 H new ATOM 0 HA MET A 73 7.751 -4.433 9.658 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.120 -3.630 7.204 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.804 -3.251 7.502 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.503 -5.519 7.214 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.894 -6.154 7.497 1.00 0.01 H new ATOM 0 HE1 MET A 73 8.176 -3.675 3.818 1.00 0.01 H new ATOM 0 HE2 MET A 73 7.518 -2.907 5.281 1.00 0.01 H new ATOM 0 HE3 MET A 73 9.032 -3.838 5.370 1.00 0.01 H new ATOM 1169 N GLY A 74 5.393 -2.968 10.738 1.00 0.02 N ATOM 1170 CA GLY A 74 4.837 -1.743 11.371 1.00 0.02 C ATOM 1171 C GLY A 74 5.971 -0.939 12.001 1.00 0.01 C ATOM 1172 O GLY A 74 6.904 -1.493 12.550 1.00 0.01 O ATOM 0 H GLY A 74 5.031 -3.848 11.106 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.318 -1.139 10.627 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.103 -2.014 12.130 1.00 0.02 H new ATOM 1176 N LEU A 75 5.883 0.363 11.966 1.00 0.02 N ATOM 1177 CA LEU A 75 6.942 1.191 12.612 1.00 0.02 C ATOM 1178 C LEU A 75 6.663 1.204 14.121 1.00 0.01 C ATOM 1179 O LEU A 75 7.563 1.270 14.934 1.00 0.02 O ATOM 1180 CB LEU A 75 6.910 2.613 12.038 1.00 0.55 C ATOM 1181 CG LEU A 75 7.854 3.532 12.827 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.264 2.927 12.872 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.906 4.900 12.139 1.00 0.42 C ATOM 0 H LEU A 75 5.129 0.887 11.521 1.00 0.02 H new ATOM 0 HA LEU A 75 7.933 0.778 12.421 1.00 0.02 H new ATOM 0 HB2 LEU A 75 7.204 2.595 10.988 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.894 3.005 12.078 1.00 0.55 H new ATOM 0 HG LEU A 75 7.485 3.641 13.847 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.925 3.587 13.434 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.226 1.952 13.358 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.643 2.812 11.857 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.574 5.560 12.692 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.275 4.781 11.120 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.906 5.333 12.115 1.00 0.42 H new ATOM 1195 N ASN A 76 5.413 1.108 14.493 1.00 0.01 N ATOM 1196 CA ASN A 76 5.020 1.074 15.925 1.00 0.02 C ATOM 1197 C ASN A 76 3.650 0.394 15.981 1.00 0.02 C ATOM 1198 O ASN A 76 3.185 -0.129 14.986 1.00 0.02 O ATOM 1199 CB ASN A 76 4.934 2.501 16.475 1.00 0.02 C ATOM 1200 CG ASN A 76 4.599 2.457 17.966 1.00 0.02 C ATOM 1201 OD1 ASN A 76 5.281 1.809 18.736 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.570 3.125 18.411 1.00 0.02 N ATOM 0 H ASN A 76 4.630 1.050 13.842 1.00 0.01 H new ATOM 0 HA ASN A 76 5.749 0.533 16.528 1.00 0.02 H new ATOM 0 HB2 ASN A 76 5.880 3.019 16.320 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.171 3.063 15.937 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.339 3.103 19.404 1.00 0.02 H new ATOM 0 HD22 ASN A 76 2.997 3.669 17.766 1.00 0.02 H new ATOM 1209 N ASP A 77 2.995 0.375 17.112 1.00 0.01 N ATOM 1210 CA ASP A 77 1.657 -0.295 17.190 1.00 0.01 C ATOM 1211 C ASP A 77 0.538 0.744 17.079 1.00 0.01 C ATOM 1212 O ASP A 77 -0.542 0.553 17.605 1.00 0.01 O ATOM 1213 CB ASP A 77 1.534 -1.018 18.531 1.00 0.01 C ATOM 1214 CG ASP A 77 1.870 -0.049 19.667 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.208 1.084 19.371 1.00 0.02 O ATOM 1216 OD2 ASP A 77 1.785 -0.459 20.812 1.00 0.01 O ATOM 0 H ASP A 77 3.324 0.791 17.983 1.00 0.01 H new ATOM 0 HA ASP A 77 1.568 -1.007 16.369 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.523 -1.405 18.656 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.208 -1.874 18.558 1.00 0.01 H new ATOM 1221 N ARG A 78 0.776 1.850 16.412 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.287 2.897 16.296 1.00 0.01 C ATOM 1223 C ARG A 78 -1.055 2.743 14.980 1.00 0.02 C ATOM 1224 O ARG A 78 -0.489 2.797 13.907 1.00 0.02 O ATOM 1225 CB ARG A 78 0.349 4.287 16.364 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.753 5.343 16.475 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.126 6.739 16.471 1.00 1.00 C ATOM 1228 NE ARG A 78 -1.182 7.757 16.205 1.00 1.30 N ATOM 1229 CZ ARG A 78 -0.950 9.016 16.456 1.00 2.30 C ATOM 1230 NH1 ARG A 78 0.206 9.385 16.935 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -1.875 9.907 16.227 1.00 3.20 N ATOM 0 H ARG A 78 1.656 2.071 15.946 1.00 0.01 H new ATOM 0 HA ARG A 78 -0.987 2.776 17.123 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.018 4.352 17.222 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.953 4.467 15.475 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -1.451 5.244 15.644 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.325 5.192 17.391 1.00 0.80 H new ATOM 0 HD2 ARG A 78 0.352 6.937 17.430 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.651 6.798 15.709 1.00 1.00 H new ATOM 0 HE ARG A 78 -2.085 7.470 15.827 1.00 1.30 H new ATOM 0 HH11 ARG A 78 0.930 8.689 17.114 1.00 2.72 H new ATOM 0 HH12 ARG A 78 0.386 10.370 17.131 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -2.779 9.619 15.852 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -1.694 10.892 16.423 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.347 2.576 15.060 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.186 2.444 13.832 1.00 0.01 C ATOM 1247 C LEU A 79 -4.518 3.150 14.097 1.00 0.01 C ATOM 1248 O LEU A 79 -5.206 2.845 15.050 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.419 0.961 13.532 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.148 0.346 12.926 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.354 -1.161 12.769 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.837 0.982 11.550 1.00 2.61 C ATOM 0 H LEU A 79 -2.865 2.525 15.937 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.691 2.895 12.972 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.688 0.434 14.447 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.254 0.847 12.841 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.304 0.539 13.588 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.457 -1.608 12.339 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.549 -1.605 13.745 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.203 -1.346 12.110 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.933 0.533 11.138 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.672 0.807 10.871 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.687 2.055 11.671 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.861 4.133 13.295 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.124 4.911 13.529 1.00 0.02 C ATOM 1266 C GLY A 80 -7.195 4.633 12.465 1.00 0.02 C ATOM 1267 O GLY A 80 -8.354 4.929 12.675 1.00 0.01 O ATOM 0 H GLY A 80 -4.318 4.431 12.485 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.522 4.663 14.513 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.894 5.976 13.538 1.00 0.02 H new ATOM 1271 N SER A 81 -6.854 4.084 11.324 1.00 0.01 N ATOM 1272 CA SER A 81 -7.922 3.833 10.299 1.00 0.01 C ATOM 1273 C SER A 81 -7.515 2.706 9.355 1.00 0.02 C ATOM 1274 O SER A 81 -6.350 2.418 9.165 1.00 0.01 O ATOM 1275 CB SER A 81 -8.157 5.107 9.489 1.00 0.01 C ATOM 1276 OG SER A 81 -8.803 4.773 8.271 1.00 0.01 O ATOM 0 H SER A 81 -5.909 3.804 11.060 1.00 0.01 H new ATOM 0 HA SER A 81 -8.836 3.542 10.816 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.768 5.807 10.059 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.208 5.604 9.287 1.00 0.01 H new ATOM 0 HG SER A 81 -8.551 5.419 7.579 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.488 2.060 8.755 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.176 0.940 7.814 1.00 0.01 C ATOM 1284 C CYS A 82 -9.188 0.903 6.663 1.00 0.01 C ATOM 1285 O CYS A 82 -10.347 1.232 6.826 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.216 -0.390 8.567 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.782 -0.528 9.463 1.00 0.02 S ATOM 0 H CYS A 82 -9.481 2.260 8.877 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.180 1.102 7.401 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.110 -1.219 7.868 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.380 -0.451 9.263 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.719 0.077 8.795 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.751 0.489 5.500 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.671 0.406 4.318 1.00 0.01 C ATOM 1295 C ARG A 83 -9.419 -0.905 3.573 1.00 0.01 C ATOM 1296 O ARG A 83 -8.298 -1.357 3.449 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.376 1.556 3.355 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.791 2.883 3.991 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.198 4.049 3.186 1.00 0.01 C ATOM 1300 NE ARG A 83 -9.114 3.673 1.746 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.929 4.595 0.840 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.831 5.848 1.193 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.845 4.264 -0.420 1.00 0.01 N ATOM 0 H ARG A 83 -7.790 0.202 5.315 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.702 0.459 4.668 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.314 1.575 3.112 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.915 1.406 2.419 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.878 2.961 4.016 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.444 2.927 5.023 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.818 4.938 3.304 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.207 4.299 3.565 1.00 0.01 H new ATOM 0 HE ARG A 83 -9.201 2.695 1.468 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.899 6.107 2.177 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.686 6.568 0.485 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.924 3.285 -0.697 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.701 4.984 -1.128 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.460 -1.525 3.081 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.288 -2.811 2.349 1.00 0.01 C ATOM 1319 C ALA A 84 -9.787 -2.528 0.935 1.00 0.01 C ATOM 1320 O ALA A 84 -10.340 -1.723 0.212 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.633 -3.536 2.263 1.00 0.43 C ATOM 0 H ALA A 84 -11.422 -1.194 3.156 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.567 -3.433 2.880 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.506 -4.477 1.727 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.002 -3.738 3.268 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.350 -2.910 1.732 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.750 -3.210 0.530 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.206 -3.028 -0.840 1.00 0.01 C ATOM 1329 C VAL A 85 -8.902 -4.017 -1.777 1.00 0.01 C ATOM 1330 O VAL A 85 -8.881 -5.211 -1.552 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.700 -3.297 -0.834 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.118 -2.966 -2.207 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.029 -2.418 0.225 1.00 1.12 C ATOM 0 H VAL A 85 -8.252 -3.894 1.100 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.382 -2.007 -1.179 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.521 -4.347 -0.605 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.045 -3.158 -2.203 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.595 -3.588 -2.964 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.298 -1.915 -2.435 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.956 -2.609 0.230 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.210 -1.368 -0.006 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.443 -2.650 1.206 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.516 -3.539 -2.822 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.210 -4.461 -3.769 1.00 0.01 C ATOM 1345 C HIS A 86 -9.223 -4.881 -4.855 1.00 0.01 C ATOM 1346 O HIS A 86 -8.487 -4.079 -5.394 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.394 -3.735 -4.410 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.259 -3.141 -3.333 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -11.875 -2.021 -2.612 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.491 -3.499 -2.842 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.858 -1.748 -1.735 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.867 -2.617 -1.833 1.00 1.71 N ATOM 0 H HIS A 86 -9.569 -2.549 -3.063 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.573 -5.340 -3.236 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.036 -2.951 -5.077 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -11.975 -4.429 -5.017 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -14.078 -4.337 -3.186 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.834 -0.925 -1.036 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.728 -2.631 -1.286 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.208 -6.152 -5.170 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.280 -6.676 -6.215 1.00 0.01 C ATOM 1362 C LEU A 87 -9.054 -6.836 -7.523 1.00 0.01 C ATOM 1363 O LEU A 87 -10.174 -7.308 -7.531 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.746 -8.057 -5.779 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.575 -8.101 -4.259 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.004 -9.457 -3.850 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.612 -7.003 -3.826 1.00 1.34 C ATOM 0 H LEU A 87 -9.808 -6.857 -4.741 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.447 -5.986 -6.350 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.435 -8.839 -6.098 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.791 -8.256 -6.266 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.543 -7.951 -3.781 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.882 -9.489 -2.767 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.686 -10.248 -4.162 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.036 -9.603 -4.329 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.489 -7.033 -2.743 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.645 -7.157 -4.305 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.012 -6.032 -4.119 1.00 1.34 H new ATOM 1379 N SER A 88 -8.456 -6.474 -8.630 1.00 0.01 N ATOM 1380 CA SER A 88 -9.131 -6.626 -9.954 1.00 0.01 C ATOM 1381 C SER A 88 -8.383 -7.679 -10.775 1.00 0.01 C ATOM 1382 O SER A 88 -7.199 -7.539 -11.010 1.00 0.01 O ATOM 1383 CB SER A 88 -9.104 -5.290 -10.697 1.00 0.81 C ATOM 1384 OG SER A 88 -7.783 -5.037 -11.155 1.00 1.08 O ATOM 0 H SER A 88 -7.518 -6.075 -8.673 1.00 0.01 H new ATOM 0 HA SER A 88 -10.165 -6.936 -9.807 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.795 -5.315 -11.539 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.433 -4.487 -10.038 1.00 0.81 H new ATOM 0 HG SER A 88 -7.188 -5.754 -10.851 1.00 1.08 H new ATOM 1390 N SER A 89 -9.044 -8.696 -11.266 1.00 0.01 N ATOM 1391 CA SER A 89 -8.338 -9.698 -12.128 1.00 0.01 C ATOM 1392 C SER A 89 -8.740 -9.375 -13.563 1.00 0.01 C ATOM 1393 O SER A 89 -9.137 -8.260 -13.836 1.00 0.01 O ATOM 1394 CB SER A 89 -8.796 -11.116 -11.774 1.00 0.43 C ATOM 1395 OG SER A 89 -8.112 -12.052 -12.597 1.00 1.26 O ATOM 0 H SER A 89 -10.036 -8.877 -11.110 1.00 0.01 H new ATOM 0 HA SER A 89 -7.258 -9.651 -11.987 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.594 -11.324 -10.723 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.873 -11.209 -11.916 1.00 0.43 H new ATOM 0 HG SER A 89 -8.403 -12.960 -12.371 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.699 -10.308 -14.484 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.145 -9.988 -15.878 1.00 0.00 C ATOM 1403 C GLY A 90 -8.218 -10.585 -16.936 1.00 0.00 C ATOM 1404 O GLY A 90 -8.675 -11.200 -17.880 1.00 0.01 O ATOM 0 H GLY A 90 -8.380 -11.265 -14.335 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.156 -10.366 -16.029 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.187 -8.906 -16.004 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.924 -10.437 -16.807 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.036 -11.037 -17.839 1.00 0.00 C ATOM 1410 C GLY A 91 -4.559 -10.706 -17.595 1.00 0.00 C ATOM 1411 O GLY A 91 -3.904 -11.353 -16.804 1.00 0.01 O ATOM 0 H GLY A 91 -6.456 -9.939 -16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.168 -12.119 -17.845 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.330 -10.675 -18.824 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.022 -9.723 -18.280 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.571 -9.372 -18.104 1.00 2.31 C ATOM 1417 C GLN A 92 -2.429 -7.929 -17.610 1.00 1.91 C ATOM 1418 O GLN A 92 -2.825 -6.984 -18.262 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.863 -9.563 -19.452 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.403 -9.093 -19.358 1.00 2.86 C ATOM 1421 CD GLN A 92 -0.327 -7.571 -19.519 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -1.218 -6.960 -20.075 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.709 -6.932 -19.054 1.00 4.43 N ATOM 0 H GLN A 92 -4.525 -9.147 -18.955 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.114 -10.021 -17.357 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -1.896 -10.613 -19.743 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.384 -9.001 -20.227 1.00 2.11 H new ATOM 0 HG2 GLN A 92 0.020 -9.386 -18.397 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.194 -9.578 -20.130 1.00 2.86 H new ATOM 0 HE21 GLN A 92 1.457 -7.445 -18.587 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.772 -5.919 -19.157 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.865 -7.774 -16.437 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.692 -6.407 -15.863 1.00 0.01 C ATOM 1434 C ALA A 93 -0.530 -5.706 -16.568 1.00 0.01 C ATOM 1435 O ALA A 93 0.537 -6.264 -16.730 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.375 -6.514 -14.373 1.00 2.99 C ATOM 0 H ALA A 93 -1.518 -8.536 -15.854 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.611 -5.838 -16.003 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.249 -5.515 -13.955 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.194 -7.020 -13.862 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.455 -7.083 -14.237 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.736 -4.485 -16.987 1.00 0.00 N ATOM 1443 CA LYS A 94 0.341 -3.718 -17.690 1.00 0.01 C ATOM 1444 C LYS A 94 0.464 -2.331 -17.052 1.00 0.01 C ATOM 1445 O LYS A 94 -0.527 -1.693 -16.753 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.061 -3.587 -19.162 1.00 2.49 C ATOM 1447 CG LYS A 94 1.094 -2.972 -19.959 1.00 3.43 C ATOM 1448 CD LYS A 94 0.855 -3.179 -21.459 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.414 -2.437 -21.892 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.610 -3.249 -21.530 1.00 6.36 N ATOM 0 H LYS A 94 -1.614 -3.979 -16.872 1.00 0.00 H new ATOM 0 HA LYS A 94 1.301 -4.228 -17.610 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.315 -4.566 -19.568 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.951 -2.964 -19.252 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.175 -1.908 -19.737 1.00 3.43 H new ATOM 0 HG3 LYS A 94 2.037 -3.432 -19.664 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.711 -2.814 -22.026 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.757 -4.242 -21.677 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.462 -1.462 -21.407 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.395 -2.257 -22.967 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.267 -3.278 -22.336 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.313 -4.217 -21.290 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.086 -2.820 -20.711 1.00 6.36 H new ATOM 1464 N ILE A 95 1.674 -1.862 -16.838 1.00 0.00 N ATOM 1465 CA ILE A 95 1.868 -0.511 -16.212 1.00 0.01 C ATOM 1466 C ILE A 95 2.756 0.340 -17.121 1.00 0.01 C ATOM 1467 O ILE A 95 3.708 -0.132 -17.714 1.00 0.01 O ATOM 1468 CB ILE A 95 2.525 -0.681 -14.833 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.971 0.685 -14.300 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.739 -1.605 -14.944 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.281 0.573 -12.806 1.00 1.09 C ATOM 0 H ILE A 95 2.535 -2.357 -17.070 1.00 0.00 H new ATOM 0 HA ILE A 95 0.906 -0.014 -16.087 1.00 0.01 H new ATOM 0 HB ILE A 95 1.800 -1.120 -14.147 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.853 1.028 -14.841 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.188 1.425 -14.465 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.199 -1.721 -13.963 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.421 -2.580 -15.313 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.463 -1.174 -15.636 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.598 1.544 -12.426 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.388 0.249 -12.272 1.00 1.09 H new ATOM 0 HD13 ILE A 95 4.078 -0.154 -12.653 1.00 1.09 H new ATOM 1483 N GLN A 96 2.455 1.613 -17.203 1.00 0.01 N ATOM 1484 CA GLN A 96 3.266 2.562 -18.025 1.00 0.01 C ATOM 1485 C GLN A 96 3.712 3.708 -17.111 1.00 0.01 C ATOM 1486 O GLN A 96 2.909 4.255 -16.384 1.00 0.00 O ATOM 1487 CB GLN A 96 2.422 3.107 -19.180 1.00 0.53 C ATOM 1488 CG GLN A 96 1.017 3.423 -18.676 1.00 0.82 C ATOM 1489 CD GLN A 96 0.193 4.042 -19.805 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.589 5.027 -20.395 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.951 3.503 -20.130 1.00 2.05 N ATOM 0 H GLN A 96 1.664 2.042 -16.724 1.00 0.01 H new ATOM 0 HA GLN A 96 4.133 2.055 -18.448 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.884 4.005 -19.590 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.375 2.376 -19.987 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.535 2.513 -18.318 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.069 4.110 -17.831 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.284 2.676 -19.635 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.512 3.909 -20.879 1.00 2.05 H new ATOM 1500 N VAL A 97 4.965 4.080 -17.128 1.00 0.01 N ATOM 1501 CA VAL A 97 5.440 5.199 -16.242 1.00 0.01 C ATOM 1502 C VAL A 97 6.127 6.272 -17.091 1.00 0.01 C ATOM 1503 O VAL A 97 6.714 5.985 -18.114 1.00 0.01 O ATOM 1504 CB VAL A 97 6.433 4.643 -15.220 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.743 3.573 -14.371 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.623 4.021 -15.955 1.00 1.03 C ATOM 0 H VAL A 97 5.685 3.660 -17.716 1.00 0.01 H new ATOM 0 HA VAL A 97 4.589 5.641 -15.725 1.00 0.01 H new ATOM 0 HB VAL A 97 6.784 5.449 -14.575 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.449 3.176 -13.642 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.893 4.014 -13.850 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.394 2.766 -15.016 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.332 3.624 -15.229 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.272 3.214 -16.598 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.113 4.782 -16.563 1.00 1.03 H new ATOM 1516 N PHE A 98 6.028 7.519 -16.677 1.00 0.01 N ATOM 1517 CA PHE A 98 6.644 8.641 -17.462 1.00 0.01 C ATOM 1518 C PHE A 98 7.720 9.358 -16.637 1.00 0.01 C ATOM 1519 O PHE A 98 7.599 9.544 -15.442 1.00 0.01 O ATOM 1520 CB PHE A 98 5.550 9.642 -17.841 1.00 0.25 C ATOM 1521 CG PHE A 98 4.686 9.058 -18.936 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.776 8.036 -18.638 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.787 9.544 -20.246 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.969 7.500 -19.649 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.978 9.010 -21.255 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.069 7.988 -20.958 1.00 0.69 C ATOM 0 H PHE A 98 5.545 7.807 -15.826 1.00 0.01 H new ATOM 0 HA PHE A 98 7.110 8.229 -18.357 1.00 0.01 H new ATOM 0 HB2 PHE A 98 4.940 9.877 -16.969 1.00 0.25 H new ATOM 0 HB3 PHE A 98 5.999 10.577 -18.177 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.697 7.661 -17.628 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.489 10.331 -20.477 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.269 6.710 -19.419 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.055 9.387 -22.264 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.445 7.576 -21.738 1.00 0.69 H new ATOM 1536 N GLU A 99 8.789 9.727 -17.290 1.00 0.01 N ATOM 1537 CA GLU A 99 9.921 10.398 -16.587 1.00 0.01 C ATOM 1538 C GLU A 99 9.524 11.785 -16.064 1.00 0.01 C ATOM 1539 O GLU A 99 10.054 12.238 -15.068 1.00 0.01 O ATOM 1540 CB GLU A 99 11.099 10.546 -17.551 1.00 0.01 C ATOM 1541 CG GLU A 99 12.298 11.130 -16.803 1.00 0.01 C ATOM 1542 CD GLU A 99 13.542 11.045 -17.688 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.476 11.509 -18.815 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.539 10.516 -17.225 1.00 0.01 O ATOM 0 H GLU A 99 8.928 9.591 -18.291 1.00 0.01 H new ATOM 0 HA GLU A 99 10.198 9.780 -15.733 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.359 9.577 -17.976 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.824 11.195 -18.382 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.101 12.167 -16.533 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.462 10.584 -15.874 1.00 0.01 H new ATOM 1551 N LYS A 100 8.612 12.472 -16.718 1.00 0.01 N ATOM 1552 CA LYS A 100 8.206 13.842 -16.243 1.00 0.01 C ATOM 1553 C LYS A 100 6.731 13.852 -15.834 1.00 0.01 C ATOM 1554 O LYS A 100 5.987 12.924 -16.094 1.00 0.01 O ATOM 1555 CB LYS A 100 8.433 14.867 -17.355 1.00 0.94 C ATOM 1556 CG LYS A 100 9.935 15.058 -17.577 1.00 1.63 C ATOM 1557 CD LYS A 100 10.164 15.832 -18.876 1.00 2.19 C ATOM 1558 CE LYS A 100 11.667 15.985 -19.120 1.00 2.84 C ATOM 1559 NZ LYS A 100 11.895 16.982 -20.204 1.00 3.18 N ATOM 0 H LYS A 100 8.132 12.146 -17.557 1.00 0.01 H new ATOM 0 HA LYS A 100 8.815 14.102 -15.377 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.959 14.530 -18.277 1.00 0.94 H new ATOM 0 HB3 LYS A 100 7.971 15.817 -17.088 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.372 15.599 -16.737 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.432 14.089 -17.626 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.701 15.307 -19.711 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.693 16.813 -18.815 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.164 16.307 -18.205 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.101 15.024 -19.398 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.916 17.086 -20.370 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.433 16.657 -21.077 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.495 17.899 -19.922 1.00 3.18 H new ATOM 1573 N GLY A 101 6.313 14.908 -15.187 1.00 0.01 N ATOM 1574 CA GLY A 101 4.900 15.014 -14.723 1.00 0.01 C ATOM 1575 C GLY A 101 3.939 15.123 -15.909 1.00 0.00 C ATOM 1576 O GLY A 101 4.325 15.412 -17.024 1.00 0.01 O ATOM 0 H GLY A 101 6.899 15.711 -14.958 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.644 14.141 -14.123 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.789 15.887 -14.080 1.00 0.01 H new ATOM 1580 N ASP A 102 2.675 14.908 -15.647 1.00 0.01 N ATOM 1581 CA ASP A 102 1.635 15.008 -16.712 1.00 0.00 C ATOM 1582 C ASP A 102 1.949 14.071 -17.878 1.00 0.00 C ATOM 1583 O ASP A 102 1.728 14.390 -19.029 1.00 0.01 O ATOM 1584 CB ASP A 102 1.563 16.452 -17.211 1.00 0.01 C ATOM 1585 CG ASP A 102 1.632 17.405 -16.017 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.608 17.601 -15.383 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.706 17.920 -15.755 1.00 0.01 O ATOM 0 H ASP A 102 2.315 14.663 -14.724 1.00 0.01 H new ATOM 0 HA ASP A 102 0.674 14.712 -16.291 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.385 16.652 -17.898 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.638 16.611 -17.765 1.00 0.01 H new ATOM 1592 N PHE A 103 2.430 12.898 -17.575 1.00 0.01 N ATOM 1593 CA PHE A 103 2.728 11.900 -18.638 1.00 0.01 C ATOM 1594 C PHE A 103 3.622 12.503 -19.724 1.00 0.00 C ATOM 1595 O PHE A 103 3.289 12.472 -20.892 1.00 0.01 O ATOM 1596 CB PHE A 103 1.408 11.429 -19.266 1.00 0.01 C ATOM 1597 CG PHE A 103 0.349 11.318 -18.191 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.451 10.322 -17.213 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.733 12.208 -18.172 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.528 10.215 -16.218 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.712 12.100 -17.177 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.609 11.102 -16.200 1.00 0.01 C ATOM 0 H PHE A 103 2.631 12.585 -16.625 1.00 0.01 H new ATOM 0 HA PHE A 103 3.256 11.059 -18.189 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.088 12.132 -20.035 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.549 10.464 -19.754 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.285 9.636 -17.226 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.812 12.978 -18.925 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.448 9.446 -15.463 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.546 12.786 -17.163 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.364 11.017 -15.433 1.00 0.01 H new ATOM 1612 N ASN A 104 4.764 13.031 -19.354 1.00 0.00 N ATOM 1613 CA ASN A 104 5.699 13.614 -20.372 1.00 0.01 C ATOM 1614 C ASN A 104 7.092 13.030 -20.142 1.00 0.01 C ATOM 1615 O ASN A 104 7.356 12.423 -19.122 1.00 0.01 O ATOM 1616 CB ASN A 104 5.754 15.135 -20.212 1.00 1.68 C ATOM 1617 CG ASN A 104 4.381 15.728 -20.525 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.602 15.139 -21.248 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.047 16.877 -20.007 1.00 2.38 N ATOM 0 H ASN A 104 5.091 13.084 -18.389 1.00 0.00 H new ATOM 0 HA ASN A 104 5.350 13.374 -21.376 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.051 15.394 -19.196 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.505 15.555 -20.881 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.132 17.281 -20.209 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.700 17.372 -19.400 1.00 2.38 H new ATOM 1626 N GLY A 105 7.991 13.192 -21.078 1.00 0.01 N ATOM 1627 CA GLY A 105 9.365 12.635 -20.899 1.00 0.01 C ATOM 1628 C GLY A 105 9.428 11.241 -21.517 1.00 0.01 C ATOM 1629 O GLY A 105 8.558 10.850 -22.270 1.00 0.01 O ATOM 0 H GLY A 105 7.834 13.685 -21.957 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.099 13.288 -21.371 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.615 12.587 -19.839 1.00 0.01 H new ATOM 1633 N GLN A 106 10.436 10.477 -21.201 1.00 0.01 N ATOM 1634 CA GLN A 106 10.528 9.104 -21.764 1.00 0.01 C ATOM 1635 C GLN A 106 9.524 8.211 -21.038 1.00 0.01 C ATOM 1636 O GLN A 106 9.263 8.373 -19.861 1.00 0.01 O ATOM 1637 CB GLN A 106 11.944 8.563 -21.557 1.00 0.01 C ATOM 1638 CG GLN A 106 12.065 7.190 -22.217 1.00 0.01 C ATOM 1639 CD GLN A 106 13.509 6.699 -22.111 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.963 5.926 -22.933 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.257 7.116 -21.126 1.00 0.01 N ATOM 0 H GLN A 106 11.198 10.744 -20.578 1.00 0.01 H new ATOM 0 HA GLN A 106 10.306 9.120 -22.831 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.674 9.250 -21.985 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.164 8.487 -20.492 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.392 6.482 -21.733 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.766 7.250 -23.263 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.877 7.764 -20.436 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.221 6.794 -21.046 1.00 0.01 H new ATOM 1650 N MET A 107 8.947 7.277 -21.750 1.00 0.01 N ATOM 1651 CA MET A 107 7.936 6.357 -21.140 1.00 0.01 C ATOM 1652 C MET A 107 8.455 4.922 -21.177 1.00 0.01 C ATOM 1653 O MET A 107 9.058 4.487 -22.138 1.00 0.01 O ATOM 1654 CB MET A 107 6.633 6.434 -21.944 1.00 0.00 C ATOM 1655 CG MET A 107 5.526 5.639 -21.238 1.00 0.01 C ATOM 1656 SD MET A 107 5.736 3.871 -21.572 1.00 0.01 S ATOM 1657 CE MET A 107 4.653 3.776 -23.019 1.00 0.01 C ATOM 0 H MET A 107 9.134 7.110 -22.739 1.00 0.01 H new ATOM 0 HA MET A 107 7.757 6.654 -20.107 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.328 7.474 -22.057 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.792 6.038 -22.947 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.561 5.823 -20.164 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.548 5.971 -21.586 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.636 2.753 -23.394 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.644 4.077 -22.738 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.027 4.441 -23.797 1.00 0.01 H new ATOM 1667 N TYR A 108 8.190 4.176 -20.137 1.00 0.01 N ATOM 1668 CA TYR A 108 8.618 2.746 -20.073 1.00 0.00 C ATOM 1669 C TYR A 108 7.401 1.908 -19.663 1.00 0.01 C ATOM 1670 O TYR A 108 6.651 2.271 -18.777 1.00 0.01 O ATOM 1671 CB TYR A 108 9.723 2.581 -19.028 1.00 0.54 C ATOM 1672 CG TYR A 108 11.025 3.111 -19.578 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.806 2.310 -20.421 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.455 4.400 -19.242 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.016 2.799 -20.927 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.665 4.889 -19.749 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.445 4.088 -20.591 1.00 1.82 C ATOM 1678 OH TYR A 108 14.639 4.568 -21.089 1.00 2.48 O ATOM 0 H TYR A 108 7.685 4.503 -19.313 1.00 0.01 H new ATOM 0 HA TYR A 108 9.000 2.423 -21.041 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.458 3.116 -18.116 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.831 1.530 -18.761 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.475 1.315 -20.680 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.853 5.017 -18.592 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.619 2.182 -21.577 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.996 5.884 -19.490 1.00 1.51 H new ATOM 0 HH TYR A 108 14.570 4.671 -22.061 1.00 2.48 H new ATOM 1688 N GLU A 109 7.192 0.802 -20.332 1.00 0.01 N ATOM 1689 CA GLU A 109 6.013 -0.075 -20.035 1.00 0.01 C ATOM 1690 C GLU A 109 6.492 -1.473 -19.649 1.00 0.01 C ATOM 1691 O GLU A 109 7.364 -2.036 -20.280 1.00 0.01 O ATOM 1692 CB GLU A 109 5.146 -0.145 -21.298 1.00 0.01 C ATOM 1693 CG GLU A 109 3.976 -1.120 -21.083 1.00 0.01 C ATOM 1694 CD GLU A 109 4.445 -2.559 -21.325 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.993 -2.811 -22.385 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.249 -3.380 -20.445 1.00 0.00 O ATOM 0 H GLU A 109 7.795 0.463 -21.082 1.00 0.01 H new ATOM 0 HA GLU A 109 5.436 0.331 -19.204 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.763 0.846 -21.541 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.750 -0.470 -22.145 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.590 -1.020 -20.069 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.158 -0.876 -21.761 1.00 0.01 H new ATOM 1703 N THR A 110 5.932 -2.042 -18.608 1.00 0.01 N ATOM 1704 CA THR A 110 6.371 -3.407 -18.187 1.00 0.00 C ATOM 1705 C THR A 110 5.214 -4.174 -17.536 1.00 0.01 C ATOM 1706 O THR A 110 4.285 -3.608 -16.992 1.00 0.01 O ATOM 1707 CB THR A 110 7.526 -3.293 -17.189 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.747 -4.556 -16.578 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.182 -2.260 -16.116 1.00 1.69 C ATOM 0 H THR A 110 5.197 -1.624 -18.038 1.00 0.01 H new ATOM 0 HA THR A 110 6.699 -3.951 -19.073 1.00 0.00 H new ATOM 0 HB THR A 110 8.428 -2.978 -17.714 1.00 1.21 H new ATOM 0 HG1 THR A 110 7.704 -4.460 -15.604 1.00 1.65 H new ATOM 0 HG21 THR A 110 8.007 -2.182 -15.408 1.00 1.69 H new ATOM 0 HG22 THR A 110 7.014 -1.291 -16.585 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.280 -2.570 -15.589 1.00 1.69 H new ATOM 1717 N THR A 111 5.283 -5.477 -17.616 1.00 0.00 N ATOM 1718 CA THR A 111 4.221 -6.357 -17.034 1.00 0.01 C ATOM 1719 C THR A 111 4.773 -7.107 -15.817 1.00 0.01 C ATOM 1720 O THR A 111 4.147 -8.020 -15.316 1.00 0.01 O ATOM 1721 CB THR A 111 3.782 -7.371 -18.091 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.842 -8.284 -18.336 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.427 -6.640 -19.388 1.00 0.01 C ATOM 0 H THR A 111 6.046 -5.980 -18.069 1.00 0.00 H new ATOM 0 HA THR A 111 3.374 -5.745 -16.724 1.00 0.01 H new ATOM 0 HB THR A 111 2.908 -7.914 -17.732 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.562 -8.936 -19.012 1.00 0.01 H new ATOM 0 HG21 THR A 111 3.114 -7.364 -20.140 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.614 -5.939 -19.200 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.299 -6.096 -19.749 1.00 0.01 H new ATOM 1731 N GLU A 112 5.952 -6.754 -15.359 1.00 0.01 N ATOM 1732 CA GLU A 112 6.567 -7.475 -14.193 1.00 0.01 C ATOM 1733 C GLU A 112 6.859 -6.516 -13.034 1.00 0.01 C ATOM 1734 O GLU A 112 6.921 -5.314 -13.200 1.00 0.01 O ATOM 1735 CB GLU A 112 7.883 -8.113 -14.645 1.00 0.85 C ATOM 1736 CG GLU A 112 7.644 -8.950 -15.903 1.00 1.61 C ATOM 1737 CD GLU A 112 8.977 -9.514 -16.398 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.904 -9.568 -15.608 1.00 3.07 O ATOM 1739 OE2 GLU A 112 9.046 -9.881 -17.560 1.00 3.21 O ATOM 0 H GLU A 112 6.517 -5.996 -15.742 1.00 0.01 H new ATOM 0 HA GLU A 112 5.863 -8.232 -13.847 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.623 -7.339 -14.847 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.286 -8.740 -13.850 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.951 -9.763 -15.686 1.00 1.61 H new ATOM 0 HG3 GLU A 112 7.185 -8.338 -16.679 1.00 1.61 H new ATOM 1746 N ASP A 113 7.069 -7.057 -11.861 1.00 0.01 N ATOM 1747 CA ASP A 113 7.395 -6.205 -10.681 1.00 0.01 C ATOM 1748 C ASP A 113 8.760 -5.563 -10.919 1.00 0.00 C ATOM 1749 O ASP A 113 9.585 -6.095 -11.636 1.00 0.01 O ATOM 1750 CB ASP A 113 7.465 -7.075 -9.424 1.00 0.01 C ATOM 1751 CG ASP A 113 6.064 -7.581 -9.073 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.335 -7.923 -9.988 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.746 -7.615 -7.897 1.00 0.00 O ATOM 0 H ASP A 113 7.028 -8.058 -11.670 1.00 0.01 H new ATOM 0 HA ASP A 113 6.629 -5.441 -10.548 1.00 0.01 H new ATOM 0 HB2 ASP A 113 8.136 -7.918 -9.589 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.874 -6.500 -8.593 1.00 0.01 H new ATOM 1758 N CYS A 114 9.018 -4.435 -10.298 1.00 0.01 N ATOM 1759 CA CYS A 114 10.348 -3.761 -10.450 1.00 0.01 C ATOM 1760 C CYS A 114 10.961 -3.558 -9.048 1.00 0.01 C ATOM 1761 O CYS A 114 10.458 -2.752 -8.288 1.00 0.01 O ATOM 1762 CB CYS A 114 10.137 -2.389 -11.092 1.00 0.01 C ATOM 1763 SG CYS A 114 11.698 -1.473 -11.087 1.00 0.01 S ATOM 0 H CYS A 114 8.360 -3.950 -9.689 1.00 0.01 H new ATOM 0 HA CYS A 114 11.008 -4.369 -11.069 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.775 -2.506 -12.113 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.375 -1.833 -10.545 1.00 0.01 H new ATOM 0 HG CYS A 114 12.659 -2.256 -10.695 1.00 0.01 H new ATOM 1769 N PRO A 115 12.037 -4.244 -8.686 1.00 0.01 N ATOM 1770 CA PRO A 115 12.640 -4.037 -7.339 1.00 0.01 C ATOM 1771 C PRO A 115 13.430 -2.724 -7.271 1.00 0.01 C ATOM 1772 O PRO A 115 13.509 -2.096 -6.232 1.00 0.01 O ATOM 1773 CB PRO A 115 13.563 -5.260 -7.200 1.00 0.01 C ATOM 1774 CG PRO A 115 13.789 -5.839 -8.610 1.00 0.01 C ATOM 1775 CD PRO A 115 12.714 -5.258 -9.549 1.00 0.01 C ATOM 0 HA PRO A 115 11.903 -3.956 -6.540 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.512 -4.973 -6.748 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.112 -6.007 -6.547 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.786 -5.584 -8.970 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.727 -6.927 -8.588 1.00 0.01 H new ATOM 0 HD2 PRO A 115 13.154 -4.805 -10.437 1.00 0.01 H new ATOM 0 HD3 PRO A 115 12.020 -6.025 -9.893 1.00 0.01 H new ATOM 1783 N SER A 116 14.022 -2.308 -8.362 1.00 0.01 N ATOM 1784 CA SER A 116 14.811 -1.039 -8.358 1.00 0.02 C ATOM 1785 C SER A 116 14.578 -0.305 -9.679 1.00 0.01 C ATOM 1786 O SER A 116 15.023 -0.724 -10.731 1.00 0.00 O ATOM 1787 CB SER A 116 16.296 -1.367 -8.203 1.00 0.01 C ATOM 1788 OG SER A 116 17.050 -0.163 -8.236 1.00 0.01 O ATOM 0 H SER A 116 13.993 -2.794 -9.258 1.00 0.01 H new ATOM 0 HA SER A 116 14.495 -0.406 -7.528 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.468 -1.891 -7.263 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.618 -2.033 -9.003 1.00 0.01 H new ATOM 0 HG SER A 116 18.002 -0.371 -8.135 1.00 0.01 H new ATOM 1794 N ILE A 117 13.853 0.776 -9.621 1.00 0.01 N ATOM 1795 CA ILE A 117 13.538 1.552 -10.852 1.00 0.01 C ATOM 1796 C ILE A 117 14.821 2.102 -11.479 1.00 0.01 C ATOM 1797 O ILE A 117 14.945 2.153 -12.687 1.00 0.00 O ATOM 1798 CB ILE A 117 12.595 2.710 -10.481 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.167 2.177 -10.347 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.623 3.803 -11.559 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.291 3.224 -9.660 1.00 1.83 C ATOM 0 H ILE A 117 13.460 1.160 -8.762 1.00 0.01 H new ATOM 0 HA ILE A 117 13.055 0.899 -11.579 1.00 0.01 H new ATOM 0 HB ILE A 117 12.929 3.139 -9.536 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.763 1.939 -11.331 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.166 1.252 -9.770 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.949 4.611 -11.275 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.636 4.193 -11.656 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.304 3.382 -12.512 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.274 2.842 -9.566 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.691 3.440 -8.669 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.282 4.138 -10.255 1.00 1.83 H new ATOM 1813 N MET A 118 15.754 2.543 -10.682 1.00 0.02 N ATOM 1814 CA MET A 118 16.994 3.119 -11.268 1.00 0.01 C ATOM 1815 C MET A 118 17.779 2.030 -11.990 1.00 0.01 C ATOM 1816 O MET A 118 18.364 2.264 -13.023 1.00 0.02 O ATOM 1817 CB MET A 118 17.861 3.753 -10.178 1.00 0.24 C ATOM 1818 CG MET A 118 19.132 4.332 -10.804 1.00 0.63 C ATOM 1819 SD MET A 118 19.909 5.478 -9.637 1.00 1.20 S ATOM 1820 CE MET A 118 19.097 6.988 -10.216 1.00 1.34 C ATOM 0 H MET A 118 15.713 2.530 -9.663 1.00 0.02 H new ATOM 0 HA MET A 118 16.714 3.894 -11.981 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.304 4.539 -9.668 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.121 3.007 -9.427 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.824 3.529 -11.058 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.890 4.849 -11.732 1.00 0.63 H new ATOM 0 HE1 MET A 118 19.208 7.771 -9.466 1.00 1.34 H new ATOM 0 HE2 MET A 118 19.556 7.313 -11.150 1.00 1.34 H new ATOM 0 HE3 MET A 118 18.038 6.791 -10.381 1.00 1.34 H new ATOM 1830 N GLU A 119 17.804 0.840 -11.476 1.00 0.01 N ATOM 1831 CA GLU A 119 18.564 -0.229 -12.171 1.00 0.02 C ATOM 1832 C GLU A 119 17.838 -0.624 -13.458 1.00 0.02 C ATOM 1833 O GLU A 119 18.453 -0.923 -14.462 1.00 0.01 O ATOM 1834 CB GLU A 119 18.675 -1.448 -11.255 1.00 0.30 C ATOM 1835 CG GLU A 119 19.714 -2.421 -11.816 1.00 0.99 C ATOM 1836 CD GLU A 119 19.698 -3.709 -10.992 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.732 -3.920 -10.277 1.00 2.07 O ATOM 1838 OE2 GLU A 119 20.652 -4.464 -11.088 1.00 2.11 O ATOM 0 H GLU A 119 17.337 0.560 -10.613 1.00 0.01 H new ATOM 0 HA GLU A 119 19.561 0.137 -12.417 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.960 -1.135 -10.250 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.707 -1.942 -11.172 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.495 -2.642 -12.861 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.705 -1.969 -11.786 1.00 0.99 H new ATOM 1845 N GLN A 120 16.533 -0.687 -13.421 1.00 0.00 N ATOM 1846 CA GLN A 120 15.767 -1.134 -14.621 1.00 0.01 C ATOM 1847 C GLN A 120 15.580 -0.017 -15.652 1.00 0.01 C ATOM 1848 O GLN A 120 15.746 -0.229 -16.837 1.00 0.01 O ATOM 1849 CB GLN A 120 14.390 -1.625 -14.175 1.00 0.52 C ATOM 1850 CG GLN A 120 13.717 -2.380 -15.323 1.00 1.07 C ATOM 1851 CD GLN A 120 12.273 -2.709 -14.941 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.584 -3.403 -15.664 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.780 -2.240 -13.828 1.00 2.08 N ATOM 0 H GLN A 120 15.964 -0.448 -12.609 1.00 0.00 H new ATOM 0 HA GLN A 120 16.340 -1.930 -15.097 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.489 -2.276 -13.307 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.772 -0.780 -13.871 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.736 -1.776 -16.230 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.265 -3.297 -15.540 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.356 -1.658 -13.220 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.818 -2.456 -13.565 1.00 2.08 H new ATOM 1862 N PHE A 121 15.157 1.147 -15.219 1.00 0.02 N ATOM 1863 CA PHE A 121 14.861 2.258 -16.187 1.00 0.01 C ATOM 1864 C PHE A 121 15.848 3.418 -16.065 1.00 0.01 C ATOM 1865 O PHE A 121 15.765 4.384 -16.797 1.00 0.01 O ATOM 1866 CB PHE A 121 13.444 2.765 -15.918 1.00 0.01 C ATOM 1867 CG PHE A 121 12.475 1.611 -16.043 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.267 1.009 -17.289 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.785 1.142 -14.917 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.372 -0.061 -17.411 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.890 0.072 -15.039 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.683 -0.529 -16.286 1.00 0.01 C ATOM 0 H PHE A 121 15.003 1.378 -14.238 1.00 0.02 H new ATOM 0 HA PHE A 121 14.955 1.863 -17.198 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.383 3.201 -14.921 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.185 3.552 -16.626 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.797 1.370 -18.158 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.944 1.606 -13.955 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.213 -0.525 -18.373 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.359 -0.290 -14.171 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.992 -1.354 -16.380 1.00 0.01 H new ATOM 1882 N HIS A 122 16.776 3.347 -15.156 1.00 0.01 N ATOM 1883 CA HIS A 122 17.749 4.463 -15.003 1.00 0.01 C ATOM 1884 C HIS A 122 17.002 5.749 -14.637 1.00 0.01 C ATOM 1885 O HIS A 122 17.391 6.832 -15.027 1.00 0.02 O ATOM 1886 CB HIS A 122 18.517 4.647 -16.318 1.00 0.01 C ATOM 1887 CG HIS A 122 18.768 3.302 -16.942 1.00 0.01 C ATOM 1888 ND1 HIS A 122 19.729 2.429 -16.458 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.187 2.665 -18.011 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.698 1.325 -17.227 1.00 0.00 C ATOM 1891 NE2 HIS A 122 18.776 1.417 -18.189 1.00 0.01 N ATOM 0 H HIS A 122 16.904 2.566 -14.512 1.00 0.01 H new ATOM 0 HA HIS A 122 18.456 4.231 -14.207 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.946 5.276 -17.001 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.463 5.156 -16.132 1.00 0.01 H new ATOM 0 HD2 HIS A 122 17.394 3.071 -18.621 1.00 0.01 H new ATOM 0 HE1 HIS A 122 20.340 0.469 -17.084 1.00 0.00 H new ATOM 0 HE2 HIS A 122 18.552 0.722 -18.901 1.00 0.01 H new ATOM 1899 N LEU A 123 15.927 5.636 -13.883 1.00 0.01 N ATOM 1900 CA LEU A 123 15.139 6.851 -13.474 1.00 0.01 C ATOM 1901 C LEU A 123 15.247 7.034 -11.959 1.00 0.02 C ATOM 1902 O LEU A 123 15.145 6.090 -11.201 1.00 0.01 O ATOM 1903 CB LEU A 123 13.669 6.668 -13.858 1.00 0.01 C ATOM 1904 CG LEU A 123 13.558 6.284 -15.335 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.082 6.114 -15.706 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.187 7.380 -16.209 1.00 0.01 C ATOM 0 H LEU A 123 15.561 4.751 -13.532 1.00 0.01 H new ATOM 0 HA LEU A 123 15.537 7.729 -13.982 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.216 5.895 -13.238 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.118 7.590 -13.671 1.00 0.01 H new ATOM 0 HG LEU A 123 14.088 5.346 -15.504 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.000 5.840 -16.758 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.640 5.329 -15.092 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.553 7.051 -15.533 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.104 7.100 -17.259 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.665 8.322 -16.043 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.238 7.496 -15.946 1.00 0.01 H new ATOM 1918 N ARG A 124 15.472 8.241 -11.509 1.00 0.01 N ATOM 1919 CA ARG A 124 15.610 8.486 -10.040 1.00 0.00 C ATOM 1920 C ARG A 124 14.256 8.821 -9.402 1.00 0.01 C ATOM 1921 O ARG A 124 14.084 8.690 -8.205 1.00 0.01 O ATOM 1922 CB ARG A 124 16.577 9.652 -9.805 1.00 1.67 C ATOM 1923 CG ARG A 124 16.147 10.865 -10.635 1.00 1.98 C ATOM 1924 CD ARG A 124 17.166 11.990 -10.456 1.00 2.92 C ATOM 1925 NE ARG A 124 18.470 11.566 -11.038 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.398 12.452 -11.274 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.182 13.711 -11.008 1.00 5.25 N ATOM 1928 NH2 ARG A 124 20.543 12.078 -11.780 1.00 5.32 N ATOM 0 H ARG A 124 15.567 9.070 -12.096 1.00 0.01 H new ATOM 0 HA ARG A 124 15.994 7.576 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.595 9.913 -8.747 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.590 9.356 -10.077 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.072 10.591 -11.687 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.159 11.202 -10.322 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.813 12.898 -10.946 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.285 12.224 -9.398 1.00 2.92 H new ATOM 0 HE ARG A 124 18.637 10.583 -11.252 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.287 14.003 -10.615 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.908 14.403 -11.193 1.00 5.25 H new ATOM 0 HH21 ARG A 124 20.711 11.094 -11.990 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.269 12.770 -11.965 1.00 5.32 H new ATOM 1942 N GLU A 125 13.297 9.274 -10.170 1.00 0.01 N ATOM 1943 CA GLU A 125 11.971 9.640 -9.575 1.00 0.01 C ATOM 1944 C GLU A 125 10.841 9.409 -10.587 1.00 0.01 C ATOM 1945 O GLU A 125 11.075 9.273 -11.772 1.00 0.01 O ATOM 1946 CB GLU A 125 11.983 11.122 -9.196 1.00 0.01 C ATOM 1947 CG GLU A 125 12.912 11.345 -8.000 1.00 0.01 C ATOM 1948 CD GLU A 125 12.687 12.750 -7.440 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.752 13.691 -8.212 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.453 12.861 -6.247 1.00 0.02 O ATOM 0 H GLU A 125 13.372 9.406 -11.179 1.00 0.01 H new ATOM 0 HA GLU A 125 11.801 9.017 -8.697 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.317 11.721 -10.044 1.00 0.01 H new ATOM 0 HB3 GLU A 125 10.974 11.452 -8.950 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.717 10.599 -7.230 1.00 0.01 H new ATOM 0 HG3 GLU A 125 13.952 11.225 -8.305 1.00 0.01 H new ATOM 1957 N ILE A 126 9.611 9.393 -10.125 1.00 0.01 N ATOM 1958 CA ILE A 126 8.437 9.205 -11.039 1.00 0.01 C ATOM 1959 C ILE A 126 7.449 10.347 -10.771 1.00 0.01 C ATOM 1960 O ILE A 126 7.050 10.561 -9.643 1.00 0.01 O ATOM 1961 CB ILE A 126 7.738 7.870 -10.721 1.00 1.33 C ATOM 1962 CG1 ILE A 126 8.777 6.758 -10.482 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.821 7.478 -11.881 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.618 6.481 -11.741 1.00 1.70 C ATOM 0 H ILE A 126 9.368 9.504 -9.140 1.00 0.01 H new ATOM 0 HA ILE A 126 8.768 9.202 -12.078 1.00 0.01 H new ATOM 0 HB ILE A 126 7.146 7.995 -9.814 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.435 7.045 -9.662 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.267 5.844 -10.177 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.328 6.533 -11.652 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.069 8.253 -12.028 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.412 7.368 -12.791 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.339 5.691 -11.531 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.963 6.168 -12.554 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.149 7.388 -12.031 1.00 1.70 H new ATOM 1976 N HIS A 127 7.083 11.112 -11.779 1.00 0.01 N ATOM 1977 CA HIS A 127 6.156 12.274 -11.542 1.00 0.01 C ATOM 1978 C HIS A 127 4.758 12.040 -12.120 1.00 0.01 C ATOM 1979 O HIS A 127 3.818 12.726 -11.771 1.00 0.01 O ATOM 1980 CB HIS A 127 6.754 13.537 -12.164 1.00 0.02 C ATOM 1981 CG HIS A 127 8.185 13.681 -11.727 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.201 12.904 -12.261 1.00 0.01 N ATOM 1983 CD2 HIS A 127 8.786 14.505 -10.807 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.348 13.274 -11.665 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.152 14.246 -10.770 1.00 0.02 N ATOM 0 H HIS A 127 7.382 10.985 -12.746 1.00 0.01 H new ATOM 0 HA HIS A 127 6.049 12.388 -10.463 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.698 13.481 -13.251 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.180 14.412 -11.860 1.00 0.02 H new ATOM 0 HD1 HIS A 127 9.097 12.183 -12.975 1.00 0.01 H new ATOM 0 HD2 HIS A 127 8.276 15.242 -10.204 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.312 12.838 -11.884 1.00 0.01 H new ATOM 1993 N SER A 128 4.589 11.067 -12.972 1.00 0.01 N ATOM 1994 CA SER A 128 3.230 10.795 -13.523 1.00 0.01 C ATOM 1995 C SER A 128 3.199 9.377 -14.088 1.00 0.01 C ATOM 1996 O SER A 128 4.212 8.825 -14.478 1.00 0.01 O ATOM 1997 CB SER A 128 2.909 11.791 -14.636 1.00 0.01 C ATOM 1998 OG SER A 128 3.979 11.811 -15.570 1.00 0.01 O ATOM 0 H SER A 128 5.328 10.451 -13.310 1.00 0.01 H new ATOM 0 HA SER A 128 2.489 10.898 -12.730 1.00 0.01 H new ATOM 0 HB2 SER A 128 1.981 11.511 -15.134 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.758 12.786 -14.217 1.00 0.01 H new ATOM 0 HG SER A 128 4.743 12.286 -15.182 1.00 0.01 H new ATOM 2004 N CYS A 129 2.043 8.778 -14.124 1.00 0.01 N ATOM 2005 CA CYS A 129 1.934 7.392 -14.647 1.00 0.01 C ATOM 2006 C CYS A 129 0.455 7.070 -14.874 1.00 0.00 C ATOM 2007 O CYS A 129 -0.390 7.446 -14.084 1.00 0.01 O ATOM 2008 CB CYS A 129 2.533 6.422 -13.620 1.00 0.69 C ATOM 2009 SG CYS A 129 1.935 4.739 -13.922 1.00 1.22 S ATOM 0 H CYS A 129 1.165 9.192 -13.812 1.00 0.01 H new ATOM 0 HA CYS A 129 2.476 7.294 -15.588 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.621 6.445 -13.680 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.262 6.736 -12.612 1.00 0.69 H new ATOM 0 HG CYS A 129 2.289 4.360 -15.114 1.00 1.22 H new ATOM 2015 N LYS A 130 0.134 6.370 -15.938 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.300 6.011 -16.207 1.00 0.01 C ATOM 2017 C LYS A 130 -1.405 4.483 -16.273 1.00 0.01 C ATOM 2018 O LYS A 130 -1.147 3.860 -17.280 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.758 6.645 -17.546 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.537 7.003 -18.405 1.00 0.80 C ATOM 2021 CD LYS A 130 -0.961 7.218 -19.864 1.00 0.29 C ATOM 2022 CE LYS A 130 -1.839 8.468 -19.974 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.213 8.156 -19.494 1.00 1.41 N ATOM 0 H LYS A 130 0.801 6.032 -16.632 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.944 6.391 -15.414 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -2.401 5.949 -18.086 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.350 7.539 -17.350 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -0.064 7.906 -18.019 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.204 6.205 -18.348 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -0.079 7.326 -20.496 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -1.507 6.347 -20.225 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.412 9.278 -19.383 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.873 8.811 -21.008 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -3.905 8.429 -20.221 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.292 7.136 -19.307 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -3.403 8.684 -18.619 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.798 3.898 -15.178 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.953 2.417 -15.075 1.00 0.01 C ATOM 2039 C VAL A 131 -3.441 2.094 -14.982 1.00 0.01 C ATOM 2040 O VAL A 131 -4.169 2.782 -14.295 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.218 1.914 -13.827 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.931 2.421 -12.569 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.183 0.375 -13.820 1.00 0.01 C ATOM 0 H VAL A 131 -2.026 4.401 -14.320 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.527 1.926 -15.950 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.196 2.292 -13.840 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.406 2.062 -11.684 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.938 3.511 -12.569 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -2.956 2.051 -12.558 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -0.659 0.027 -12.930 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.202 -0.012 -13.816 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.663 0.019 -14.709 1.00 0.01 H new ATOM 2105 N TRP A 136 -1.894 -1.957 -7.741 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.453 -1.533 -7.887 1.00 0.01 C ATOM 2107 C TRP A 136 0.024 -0.823 -6.616 1.00 0.01 C ATOM 2108 O TRP A 136 -0.637 0.058 -6.103 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.301 -0.573 -9.073 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.362 -1.328 -10.359 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.379 -1.258 -11.240 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.614 -2.249 -10.927 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.094 -2.078 -12.319 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.123 -2.711 -12.170 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.864 -2.723 -10.490 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.845 -3.613 -12.953 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.594 -3.631 -11.275 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.085 -4.074 -12.504 1.00 0.01 C ATOM 0 HA TRP A 136 0.148 -2.426 -8.056 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.091 0.178 -9.046 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.647 -0.041 -9.000 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.271 -0.660 -11.124 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.708 -2.199 -13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.265 -2.387 -9.545 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.448 -3.952 -13.899 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.552 -3.990 -10.930 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.651 -4.771 -13.103 1.00 0.01 H new ATOM 2129 N ILE A 137 1.186 -1.191 -6.122 1.00 0.01 N ATOM 2130 CA ILE A 137 1.751 -0.533 -4.899 1.00 0.00 C ATOM 2131 C ILE A 137 3.090 0.105 -5.272 1.00 0.01 C ATOM 2132 O ILE A 137 3.908 -0.495 -5.942 1.00 0.01 O ATOM 2133 CB ILE A 137 2.003 -1.580 -3.809 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.757 -2.438 -3.604 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.352 -0.873 -2.498 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.112 -3.640 -2.726 1.00 1.69 C ATOM 0 H ILE A 137 1.771 -1.926 -6.519 1.00 0.01 H new ATOM 0 HA ILE A 137 1.048 0.214 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 137 2.829 -2.221 -4.116 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.031 -1.849 -3.134 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.372 -2.776 -4.566 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.532 -1.616 -1.721 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.249 -0.270 -2.638 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.524 -0.229 -2.200 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.225 -4.256 -2.577 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.886 -4.231 -3.215 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.478 -3.290 -1.761 1.00 1.69 H new ATOM 2148 N PHE A 138 3.322 1.312 -4.819 1.00 0.01 N ATOM 2149 CA PHE A 138 4.614 2.024 -5.100 1.00 0.01 C ATOM 2150 C PHE A 138 5.350 2.152 -3.753 1.00 0.01 C ATOM 2151 O PHE A 138 4.729 2.373 -2.735 1.00 0.00 O ATOM 2152 CB PHE A 138 4.310 3.426 -5.677 1.00 1.11 C ATOM 2153 CG PHE A 138 4.182 3.413 -7.204 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.824 2.249 -7.912 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.422 4.597 -7.916 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.713 2.280 -9.309 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.311 4.622 -9.312 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.958 3.464 -10.007 1.00 2.49 C ATOM 0 H PHE A 138 2.660 1.846 -4.256 1.00 0.01 H new ATOM 0 HA PHE A 138 5.223 1.482 -5.824 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.385 3.803 -5.241 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.103 4.115 -5.387 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.635 1.330 -7.377 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.695 5.496 -7.384 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.437 1.385 -9.847 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.499 5.539 -9.852 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.875 3.484 -11.084 1.00 2.49 H new ATOM 2168 N TYR A 139 6.660 2.014 -3.736 1.00 0.01 N ATOM 2169 CA TYR A 139 7.428 2.127 -2.443 1.00 0.01 C ATOM 2170 C TYR A 139 8.499 3.215 -2.561 1.00 0.01 C ATOM 2171 O TYR A 139 9.038 3.466 -3.620 1.00 0.01 O ATOM 2172 CB TYR A 139 8.106 0.792 -2.129 1.00 0.01 C ATOM 2173 CG TYR A 139 7.072 -0.309 -2.116 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.527 -0.765 -3.318 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.665 -0.879 -0.903 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.573 -1.788 -3.314 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.711 -1.904 -0.897 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.165 -2.359 -2.103 1.00 0.02 C ATOM 2179 OH TYR A 139 4.225 -3.369 -2.097 1.00 0.00 O ATOM 0 H TYR A 139 7.232 1.828 -4.560 1.00 0.01 H new ATOM 0 HA TYR A 139 6.734 2.387 -1.644 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.872 0.577 -2.874 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.608 0.845 -1.163 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.843 -0.327 -4.253 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.087 -0.528 0.027 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.151 -2.137 -4.245 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.396 -2.344 0.038 1.00 0.02 H new ATOM 0 HH TYR A 139 3.733 -3.353 -1.250 1.00 0.00 H new ATOM 2189 N GLU A 140 8.765 3.908 -1.481 1.00 0.01 N ATOM 2190 CA GLU A 140 9.745 5.032 -1.517 1.00 0.02 C ATOM 2191 C GLU A 140 11.187 4.517 -1.577 1.00 0.01 C ATOM 2192 O GLU A 140 12.042 5.171 -2.142 1.00 0.01 O ATOM 2193 CB GLU A 140 9.565 5.853 -0.239 1.00 0.01 C ATOM 2194 CG GLU A 140 10.502 7.063 -0.273 1.00 0.02 C ATOM 2195 CD GLU A 140 10.075 8.069 0.797 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.885 8.312 0.912 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.944 8.581 1.483 1.00 0.02 O ATOM 0 H GLU A 140 8.340 3.740 -0.569 1.00 0.01 H new ATOM 0 HA GLU A 140 9.564 5.633 -2.408 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.530 6.183 -0.149 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.780 5.238 0.635 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.530 6.745 -0.099 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.475 7.530 -1.258 1.00 0.02 H new ATOM 2204 N LEU A 141 11.489 3.373 -0.998 1.00 0.01 N ATOM 2205 CA LEU A 141 12.902 2.857 -1.026 1.00 0.02 C ATOM 2206 C LEU A 141 12.940 1.541 -1.831 1.00 0.01 C ATOM 2207 O LEU A 141 11.937 0.859 -1.945 1.00 0.01 O ATOM 2208 CB LEU A 141 13.346 2.597 0.430 1.00 0.57 C ATOM 2209 CG LEU A 141 13.883 3.897 1.066 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.788 3.805 2.592 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.351 4.119 0.675 1.00 1.24 C ATOM 0 H LEU A 141 10.821 2.777 -0.509 1.00 0.01 H new ATOM 0 HA LEU A 141 13.570 3.580 -1.495 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.505 2.220 1.012 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.118 1.828 0.450 1.00 0.57 H new ATOM 0 HG LEU A 141 13.282 4.731 0.703 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.168 4.725 3.036 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.747 3.664 2.884 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.381 2.960 2.943 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.714 5.040 1.132 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.952 3.279 1.025 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.431 4.196 -0.409 1.00 1.24 H new ATOM 2223 N PRO A 142 14.083 1.179 -2.390 1.00 0.01 N ATOM 2224 CA PRO A 142 14.186 -0.076 -3.191 1.00 0.01 C ATOM 2225 C PRO A 142 13.781 -1.322 -2.395 1.00 0.01 C ATOM 2226 O PRO A 142 13.652 -1.307 -1.187 1.00 0.01 O ATOM 2227 CB PRO A 142 15.681 -0.116 -3.578 1.00 0.01 C ATOM 2228 CG PRO A 142 16.404 1.022 -2.835 1.00 0.02 C ATOM 2229 CD PRO A 142 15.341 1.978 -2.272 1.00 0.01 C ATOM 0 HA PRO A 142 13.511 -0.078 -4.047 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.116 -1.079 -3.312 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.797 0.000 -4.656 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.019 0.620 -2.030 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.073 1.553 -3.512 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.551 2.253 -1.238 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.287 2.905 -2.843 1.00 0.01 H new ATOM 2237 N ASN A 143 13.607 -2.402 -3.105 1.00 0.01 N ATOM 2238 CA ASN A 143 13.237 -3.701 -2.477 1.00 0.01 C ATOM 2239 C ASN A 143 11.915 -3.595 -1.719 1.00 0.01 C ATOM 2240 O ASN A 143 11.680 -4.290 -0.750 1.00 0.01 O ATOM 2241 CB ASN A 143 14.341 -4.135 -1.509 1.00 0.23 C ATOM 2242 CG ASN A 143 14.068 -5.564 -1.032 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.436 -6.516 -1.691 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.435 -5.754 0.092 1.00 0.56 N ATOM 0 H ASN A 143 13.708 -2.439 -4.119 1.00 0.01 H new ATOM 0 HA ASN A 143 13.120 -4.439 -3.270 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.312 -4.084 -2.001 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.380 -3.457 -0.657 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.249 -6.702 0.418 1.00 0.56 H new ATOM 0 HD22 ASN A 143 13.126 -4.954 0.645 1.00 0.56 H new ATOM 2251 N TYR A 144 11.032 -2.755 -2.186 1.00 0.01 N ATOM 2252 CA TYR A 144 9.696 -2.616 -1.543 1.00 0.02 C ATOM 2253 C TYR A 144 9.836 -2.227 -0.066 1.00 0.01 C ATOM 2254 O TYR A 144 9.269 -2.858 0.805 1.00 0.01 O ATOM 2255 CB TYR A 144 8.941 -3.952 -1.671 1.00 0.01 C ATOM 2256 CG TYR A 144 9.372 -4.643 -2.949 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.220 -3.990 -4.179 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.936 -5.926 -2.904 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.627 -4.618 -5.362 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.346 -6.552 -4.088 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.191 -5.899 -5.316 1.00 0.01 C ATOM 2262 OH TYR A 144 10.594 -6.516 -6.483 1.00 0.01 O ATOM 0 H TYR A 144 11.182 -2.152 -2.995 1.00 0.01 H new ATOM 0 HA TYR A 144 9.139 -1.825 -2.044 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.151 -4.587 -0.810 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.865 -3.777 -1.682 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.788 -3.001 -4.215 1.00 0.01 H new ATOM 0 HD2 TYR A 144 10.054 -6.431 -1.957 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.506 -4.115 -6.310 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.782 -7.539 -4.053 1.00 0.01 H new ATOM 0 HH TYR A 144 10.965 -7.399 -6.275 1.00 0.01 H new ATOM 2272 N ARG A 145 10.590 -1.190 0.218 1.00 0.02 N ATOM 2273 CA ARG A 145 10.774 -0.744 1.643 1.00 0.01 C ATOM 2274 C ARG A 145 10.423 0.743 1.771 1.00 0.01 C ATOM 2275 O ARG A 145 10.315 1.451 0.789 1.00 0.01 O ATOM 2276 CB ARG A 145 12.245 -0.959 2.050 1.00 0.01 C ATOM 2277 CG ARG A 145 12.466 -2.418 2.506 1.00 0.02 C ATOM 2278 CD ARG A 145 12.201 -2.547 4.017 1.00 0.01 C ATOM 2279 NE ARG A 145 11.186 -1.540 4.439 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.592 -1.658 5.595 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.897 -2.648 6.388 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.695 -0.782 5.961 1.00 0.01 N ATOM 0 H ARG A 145 11.088 -0.631 -0.475 1.00 0.02 H new ATOM 0 HA ARG A 145 10.119 -1.324 2.294 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.899 -0.730 1.209 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.511 -0.275 2.856 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.802 -3.084 1.955 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.487 -2.727 2.280 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.848 -3.552 4.249 1.00 0.01 H new ATOM 0 HD3 ARG A 145 13.127 -2.398 4.572 1.00 0.01 H new ATOM 0 HE ARG A 145 10.956 -0.759 3.824 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.600 -3.330 6.105 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.432 -2.740 7.291 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.459 -0.006 5.343 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.231 -0.874 6.865 1.00 0.01 H new ATOM 2296 N GLY A 146 10.233 1.221 2.977 1.00 0.01 N ATOM 2297 CA GLY A 146 9.887 2.661 3.177 1.00 0.02 C ATOM 2298 C GLY A 146 8.369 2.855 3.120 1.00 0.01 C ATOM 2299 O GLY A 146 7.603 1.914 3.190 1.00 0.02 O ATOM 0 H GLY A 146 10.303 0.672 3.834 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.269 3.004 4.139 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.367 3.268 2.409 1.00 0.02 H new ATOM 2303 N ARG A 147 7.935 4.080 2.989 1.00 0.01 N ATOM 2304 CA ARG A 147 6.471 4.360 2.924 1.00 0.01 C ATOM 2305 C ARG A 147 5.926 3.828 1.601 1.00 0.01 C ATOM 2306 O ARG A 147 6.581 3.873 0.576 1.00 0.01 O ATOM 2307 CB ARG A 147 6.239 5.872 3.001 1.00 0.01 C ATOM 2308 CG ARG A 147 4.749 6.165 2.824 1.00 0.01 C ATOM 2309 CD ARG A 147 4.466 7.625 3.181 1.00 0.01 C ATOM 2310 NE ARG A 147 3.079 7.978 2.766 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.512 9.055 3.236 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.155 9.818 4.076 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.300 9.369 2.866 1.00 0.02 N ATOM 0 H ARG A 147 8.534 4.903 2.924 1.00 0.01 H new ATOM 0 HA ARG A 147 5.962 3.874 3.756 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.585 6.256 3.961 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.815 6.380 2.228 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.449 5.967 1.795 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.160 5.504 3.460 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.586 7.778 4.253 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.183 8.278 2.683 1.00 0.01 H new ATOM 0 HE ARG A 147 2.573 7.378 2.115 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.102 9.573 4.366 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.711 10.660 4.443 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.796 8.772 2.210 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.857 10.211 3.233 1.00 0.02 H new ATOM 2327 N GLN A 148 4.733 3.287 1.635 1.00 0.01 N ATOM 2328 CA GLN A 148 4.117 2.694 0.408 1.00 0.01 C ATOM 2329 C GLN A 148 2.902 3.525 -0.017 1.00 0.01 C ATOM 2330 O GLN A 148 2.201 4.083 0.802 1.00 0.01 O ATOM 2331 CB GLN A 148 3.658 1.269 0.759 1.00 0.00 C ATOM 2332 CG GLN A 148 4.651 0.634 1.735 1.00 0.02 C ATOM 2333 CD GLN A 148 4.330 -0.854 1.900 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.173 -1.626 2.313 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.138 -1.290 1.597 1.00 0.01 N ATOM 0 H GLN A 148 4.153 3.231 2.472 1.00 0.01 H new ATOM 0 HA GLN A 148 4.838 2.681 -0.410 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.663 1.296 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.587 0.666 -0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.669 0.758 1.366 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.599 1.137 2.701 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.431 -0.642 1.250 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.914 -2.279 1.707 1.00 0.01 H new ATOM 2344 N TYR A 149 2.646 3.585 -1.300 1.00 0.01 N ATOM 2345 CA TYR A 149 1.470 4.349 -1.819 1.00 0.01 C ATOM 2346 C TYR A 149 0.595 3.396 -2.631 1.00 0.01 C ATOM 2347 O TYR A 149 1.091 2.639 -3.441 1.00 0.01 O ATOM 2348 CB TYR A 149 1.953 5.502 -2.702 1.00 0.01 C ATOM 2349 CG TYR A 149 2.753 6.473 -1.865 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.107 7.267 -0.910 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.139 6.582 -2.044 1.00 0.01 C ATOM 2352 CE1 TYR A 149 2.845 8.168 -0.132 1.00 0.01 C ATOM 2353 CE2 TYR A 149 4.876 7.483 -1.266 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.229 8.277 -0.311 1.00 0.01 C ATOM 2355 OH TYR A 149 4.955 9.166 0.455 1.00 0.01 O ATOM 0 H TYR A 149 3.209 3.131 -2.019 1.00 0.01 H new ATOM 0 HA TYR A 149 0.895 4.764 -0.991 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.565 5.118 -3.518 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.101 6.010 -3.154 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.039 7.185 -0.773 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.638 5.971 -2.782 1.00 0.01 H new ATOM 0 HE1 TYR A 149 2.346 8.779 0.606 1.00 0.01 H new ATOM 0 HE2 TYR A 149 5.944 7.566 -1.402 1.00 0.01 H new ATOM 0 HH TYR A 149 5.901 9.116 0.205 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.691 3.394 -2.411 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.574 2.449 -3.160 1.00 0.01 C ATOM 2367 C LEU A 150 -2.163 3.153 -4.382 1.00 0.01 C ATOM 2368 O LEU A 150 -2.859 4.142 -4.271 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.701 1.999 -2.219 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.552 0.891 -2.884 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.934 -0.485 -2.608 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.977 0.916 -2.314 1.00 0.01 C ATOM 0 H LEU A 150 -1.170 4.003 -1.747 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.003 1.585 -3.500 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.277 1.629 -1.285 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.334 2.850 -1.967 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.579 1.072 -3.959 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.541 -1.258 -3.080 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.923 -0.518 -3.015 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.898 -0.659 -1.533 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.571 0.134 -2.786 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.942 0.745 -1.238 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.431 1.887 -2.513 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.912 2.619 -5.551 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.476 3.214 -6.798 1.00 0.01 C ATOM 2386 C LEU A 151 -3.746 2.436 -7.155 1.00 0.01 C ATOM 2387 O LEU A 151 -3.953 1.336 -6.684 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.450 3.092 -7.935 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.449 4.248 -7.855 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.224 4.255 -6.481 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.616 4.077 -8.941 1.00 0.01 C ATOM 0 H LEU A 151 -1.336 1.790 -5.694 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.708 4.269 -6.651 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.926 2.139 -7.864 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.958 3.105 -8.899 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.976 5.190 -8.004 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.935 5.079 -6.429 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.532 4.379 -5.706 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.749 3.312 -6.328 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.329 4.900 -8.884 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.139 3.133 -8.792 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.139 4.077 -9.921 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.598 2.999 -7.972 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.866 2.298 -8.357 1.00 0.01 C ATOM 2405 C ASP A 152 -5.811 1.901 -9.834 1.00 0.00 C ATOM 2406 O ASP A 152 -5.070 1.018 -10.227 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.047 3.243 -8.126 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.178 3.539 -6.630 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.391 4.325 -6.131 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -8.064 2.974 -6.010 1.00 1.57 O ATOM 0 H ASP A 152 -4.472 3.919 -8.393 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.986 1.400 -7.751 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -6.898 4.170 -8.679 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -7.966 2.792 -8.500 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.604 2.536 -10.655 1.00 0.01 N ATOM 2416 CA LYS A 153 -6.616 2.198 -12.107 1.00 0.01 C ATOM 2417 C LYS A 153 -7.007 3.440 -12.904 1.00 0.01 C ATOM 2418 O LYS A 153 -7.613 3.350 -13.953 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.636 1.087 -12.364 1.00 0.38 C ATOM 2420 CG LYS A 153 -8.965 1.451 -11.703 1.00 0.71 C ATOM 2421 CD LYS A 153 -9.982 0.338 -11.957 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.372 0.810 -11.530 1.00 1.09 C ATOM 2423 NZ LYS A 153 -11.834 1.885 -12.452 1.00 1.84 N ATOM 0 H LYS A 153 -7.247 3.278 -10.380 1.00 0.01 H new ATOM 0 HA LYS A 153 -5.627 1.858 -12.414 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.777 0.949 -13.436 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.267 0.141 -11.967 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -8.824 1.592 -10.631 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.336 2.395 -12.102 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -9.986 0.069 -13.013 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -9.704 -0.557 -11.401 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.073 -0.025 -11.547 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.343 1.182 -10.506 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -12.873 1.927 -12.444 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.448 2.799 -12.140 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.504 1.681 -13.417 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.660 4.601 -12.408 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.001 5.872 -13.120 1.00 0.01 C ATOM 2439 C LYS A 154 -5.720 6.487 -13.679 1.00 0.01 C ATOM 2440 O LYS A 154 -4.694 5.840 -13.753 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.640 6.851 -12.131 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.732 6.135 -11.335 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.502 7.152 -10.489 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.493 6.416 -9.585 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.037 7.360 -8.569 1.00 2.28 N ATOM 0 H LYS A 154 -6.151 4.724 -11.533 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.699 5.665 -13.932 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.883 7.247 -11.454 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.064 7.700 -12.667 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.413 5.621 -12.014 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.288 5.374 -10.693 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.809 7.738 -9.886 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -10.033 7.851 -11.135 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.305 6.000 -10.181 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -9.999 5.579 -9.091 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.710 6.859 -7.955 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.258 7.737 -7.993 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.523 8.144 -9.049 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.773 7.733 -14.075 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.561 8.407 -14.638 1.00 0.01 C ATOM 2461 C GLU A 155 -4.005 9.394 -13.611 1.00 0.01 C ATOM 2462 O GLU A 155 -4.663 10.337 -13.224 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.956 9.164 -15.911 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.858 8.276 -16.774 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.145 6.958 -17.082 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.030 6.143 -16.180 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -4.728 6.782 -18.215 1.00 0.01 O ATOM 0 H GLU A 155 -6.608 8.317 -14.033 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.800 7.662 -14.873 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.476 10.086 -15.652 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.064 9.447 -16.470 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.796 8.080 -16.254 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.109 8.790 -17.702 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.791 9.184 -13.167 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.181 10.112 -12.166 1.00 0.01 C ATOM 2476 C TYR A 156 -1.299 11.113 -12.906 1.00 0.01 C ATOM 2477 O TYR A 156 -0.312 10.752 -13.517 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.348 9.302 -11.173 1.00 0.01 C ATOM 2479 CG TYR A 156 -2.237 8.280 -10.508 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.430 7.027 -11.103 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.877 8.589 -9.303 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.265 6.084 -10.490 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.709 7.646 -8.690 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.904 6.394 -9.283 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.728 5.468 -8.680 1.00 0.01 O ATOM 0 H TYR A 156 -2.195 8.408 -13.455 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.956 10.648 -11.619 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.524 8.807 -11.688 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.907 9.961 -10.425 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.936 6.788 -12.033 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.729 9.556 -8.846 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.416 5.118 -10.948 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -4.201 7.885 -7.759 1.00 0.01 H new ATOM 0 HH TYR A 156 -5.090 5.843 -7.850 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.680 12.363 -12.902 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.905 13.390 -13.658 1.00 0.01 C ATOM 2497 C ARG A 157 0.188 14.020 -12.794 1.00 0.00 C ATOM 2498 O ARG A 157 1.195 14.457 -13.316 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.864 14.487 -14.121 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.444 15.200 -12.898 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.627 16.068 -13.321 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.275 16.638 -12.108 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.112 17.632 -12.219 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.380 18.132 -13.394 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -5.680 18.128 -11.153 1.00 0.01 N ATOM 0 H ARG A 157 -2.497 12.718 -12.406 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.428 12.902 -14.508 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.340 15.200 -14.757 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.666 14.056 -14.720 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.764 14.468 -12.156 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.678 15.816 -12.427 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.289 16.869 -13.978 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.345 15.474 -13.886 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.064 16.250 -11.188 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.935 17.745 -14.226 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.035 18.909 -13.480 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -5.469 17.738 -10.234 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -6.335 18.905 -11.239 1.00 0.01 H new ATOM 2519 N LYS A 158 0.031 14.071 -11.491 1.00 0.01 N ATOM 2520 CA LYS A 158 1.093 14.669 -10.618 1.00 0.01 C ATOM 2521 C LYS A 158 1.447 13.643 -9.526 1.00 0.01 C ATOM 2522 O LYS A 158 0.639 12.800 -9.193 1.00 0.01 O ATOM 2523 CB LYS A 158 0.540 15.959 -9.977 1.00 0.58 C ATOM 2524 CG LYS A 158 0.864 17.166 -10.865 1.00 0.97 C ATOM 2525 CD LYS A 158 0.308 18.438 -10.224 1.00 1.44 C ATOM 2526 CE LYS A 158 0.631 19.639 -11.115 1.00 2.13 C ATOM 2527 NZ LYS A 158 2.108 19.816 -11.194 1.00 2.54 N ATOM 0 H LYS A 158 -0.789 13.723 -10.994 1.00 0.01 H new ATOM 0 HA LYS A 158 1.984 14.913 -11.196 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.538 15.875 -9.843 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.975 16.098 -8.987 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.942 17.254 -10.997 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.432 17.027 -11.856 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.770 18.350 -10.090 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.741 18.579 -9.234 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.218 19.487 -12.112 1.00 2.13 H new ATOM 0 HE3 LYS A 158 0.167 20.539 -10.712 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 2.326 20.792 -11.480 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 2.531 19.625 -10.263 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 2.500 19.155 -11.894 1.00 2.54 H new ATOM 2541 N PRO A 159 2.624 13.709 -8.948 1.00 0.01 N ATOM 2542 CA PRO A 159 2.996 12.742 -7.875 1.00 0.02 C ATOM 2543 C PRO A 159 2.065 12.872 -6.660 1.00 0.01 C ATOM 2544 O PRO A 159 1.707 11.893 -6.041 1.00 0.01 O ATOM 2545 CB PRO A 159 4.443 13.163 -7.546 1.00 0.41 C ATOM 2546 CG PRO A 159 4.693 14.537 -8.196 1.00 0.70 C ATOM 2547 CD PRO A 159 3.651 14.728 -9.304 1.00 0.28 C ATOM 0 HA PRO A 159 2.910 11.696 -8.171 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.589 13.219 -6.467 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.151 12.426 -7.926 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.611 15.331 -7.454 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.701 14.587 -8.607 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.240 15.737 -9.307 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.072 14.553 -10.294 1.00 0.28 H new ATOM 2555 N VAL A 160 1.687 14.059 -6.303 1.00 0.01 N ATOM 2556 CA VAL A 160 0.797 14.222 -5.119 1.00 0.02 C ATOM 2557 C VAL A 160 -0.524 13.478 -5.352 1.00 0.02 C ATOM 2558 O VAL A 160 -1.255 13.192 -4.424 1.00 0.02 O ATOM 2559 CB VAL A 160 0.518 15.711 -4.905 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.139 15.916 -3.539 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.837 16.488 -4.955 1.00 0.74 C ATOM 0 H VAL A 160 1.952 14.924 -6.774 1.00 0.01 H new ATOM 0 HA VAL A 160 1.285 13.808 -4.237 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.149 16.072 -5.688 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.338 16.977 -3.386 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.077 15.362 -3.499 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.529 15.556 -2.756 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.640 17.549 -4.803 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.502 16.126 -4.171 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.309 16.342 -5.927 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.852 13.178 -6.578 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.143 12.477 -6.838 1.00 0.01 C ATOM 2573 C ASP A 161 -2.161 11.056 -6.244 1.00 0.01 C ATOM 2574 O ASP A 161 -3.223 10.499 -6.046 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.376 12.384 -8.346 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.548 13.789 -8.924 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -3.217 14.590 -8.292 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.008 14.041 -9.988 1.00 0.00 O ATOM 0 H ASP A 161 -0.290 13.385 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.932 13.055 -6.358 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.534 11.883 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -3.263 11.784 -8.551 1.00 0.00 H new ATOM 2583 N TRP A 162 -1.018 10.467 -5.925 1.00 0.01 N ATOM 2584 CA TRP A 162 -1.044 9.085 -5.306 1.00 0.01 C ATOM 2585 C TRP A 162 -0.831 9.180 -3.788 1.00 0.01 C ATOM 2586 O TRP A 162 -0.581 8.192 -3.124 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.021 8.122 -5.944 1.00 0.01 C ATOM 2588 CG TRP A 162 1.312 8.754 -6.166 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.015 9.456 -5.254 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.135 8.703 -7.367 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.211 9.859 -5.828 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.330 9.415 -7.128 1.00 0.01 C ATOM 2593 CE3 TRP A 162 1.954 8.117 -8.634 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.315 9.542 -8.109 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 2.942 8.241 -9.622 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.121 8.953 -9.361 1.00 0.01 C ATOM 0 H TRP A 162 -0.091 10.870 -6.062 1.00 0.01 H new ATOM 0 HA TRP A 162 -2.029 8.664 -5.506 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.099 7.250 -5.302 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.411 7.765 -6.897 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.699 9.669 -4.244 1.00 0.01 H new ATOM 0 HE1 TRP A 162 3.917 10.416 -5.347 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.048 7.568 -8.847 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.221 10.092 -7.902 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.793 7.785 -10.590 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.878 9.046 -10.126 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.991 10.352 -3.224 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.874 10.504 -1.739 1.00 0.01 C ATOM 2609 C GLY A 163 0.574 10.703 -1.274 1.00 0.01 C ATOM 2610 O GLY A 163 0.858 10.637 -0.094 1.00 0.01 O ATOM 0 H GLY A 163 -1.198 11.213 -3.730 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.474 11.355 -1.417 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.288 9.620 -1.254 1.00 0.01 H new ATOM 2614 N ALA A 164 1.493 10.932 -2.172 1.00 0.01 N ATOM 2615 CA ALA A 164 2.923 11.117 -1.755 1.00 0.02 C ATOM 2616 C ALA A 164 3.279 12.602 -1.727 1.00 0.01 C ATOM 2617 O ALA A 164 2.880 13.373 -2.576 1.00 0.02 O ATOM 2618 CB ALA A 164 3.830 10.441 -2.779 1.00 0.01 C ATOM 0 H ALA A 164 1.322 11.000 -3.175 1.00 0.01 H new ATOM 0 HA ALA A 164 3.056 10.684 -0.763 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.871 10.570 -2.484 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.596 9.378 -2.827 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.672 10.892 -3.759 1.00 0.01 H new ATOM 2624 N ALA A 165 4.043 12.999 -0.743 1.00 0.02 N ATOM 2625 CA ALA A 165 4.457 14.425 -0.628 1.00 0.01 C ATOM 2626 C ALA A 165 5.709 14.669 -1.474 1.00 0.02 C ATOM 2627 O ALA A 165 6.139 15.793 -1.641 1.00 0.01 O ATOM 2628 CB ALA A 165 4.770 14.761 0.832 1.00 0.59 C ATOM 0 H ALA A 165 4.400 12.389 -0.008 1.00 0.02 H new ATOM 0 HA ALA A 165 3.643 15.058 -0.982 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.072 15.806 0.908 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.882 14.595 1.442 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.579 14.123 1.187 1.00 0.59 H new ATOM 2634 N SER A 166 6.301 13.628 -2.009 1.00 0.01 N ATOM 2635 CA SER A 166 7.533 13.801 -2.847 1.00 0.01 C ATOM 2636 C SER A 166 7.473 12.835 -4.049 1.00 0.02 C ATOM 2637 O SER A 166 6.886 11.775 -3.948 1.00 0.01 O ATOM 2638 CB SER A 166 8.762 13.476 -1.997 1.00 0.72 C ATOM 2639 OG SER A 166 8.558 12.236 -1.332 1.00 0.87 O ATOM 0 H SER A 166 5.985 12.664 -1.902 1.00 0.01 H new ATOM 0 HA SER A 166 7.594 14.828 -3.208 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.650 13.422 -2.627 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.935 14.268 -1.269 1.00 0.72 H new ATOM 0 HG SER A 166 9.345 12.024 -0.787 1.00 0.87 H new ATOM 2645 N PRO A 167 8.077 13.170 -5.176 1.00 0.02 N ATOM 2646 CA PRO A 167 8.056 12.256 -6.360 1.00 0.01 C ATOM 2647 C PRO A 167 9.032 11.080 -6.206 1.00 0.01 C ATOM 2648 O PRO A 167 9.368 10.418 -7.170 1.00 0.01 O ATOM 2649 CB PRO A 167 8.529 13.192 -7.482 1.00 0.38 C ATOM 2650 CG PRO A 167 9.323 14.323 -6.818 1.00 0.35 C ATOM 2651 CD PRO A 167 8.811 14.460 -5.376 1.00 0.22 C ATOM 0 HA PRO A 167 7.083 11.794 -6.524 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.150 12.653 -8.197 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.679 13.591 -8.035 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.390 14.099 -6.827 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.189 15.257 -7.363 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.628 14.578 -4.664 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.156 15.323 -5.257 1.00 0.22 H new ATOM 2659 N ALA A 168 9.524 10.837 -5.022 1.00 0.01 N ATOM 2660 CA ALA A 168 10.513 9.730 -4.860 1.00 0.01 C ATOM 2661 C ALA A 168 9.814 8.375 -4.749 1.00 0.01 C ATOM 2662 O ALA A 168 9.028 8.119 -3.861 1.00 0.02 O ATOM 2663 CB ALA A 168 11.333 9.972 -3.591 1.00 0.18 C ATOM 0 H ALA A 168 9.290 11.347 -4.171 1.00 0.01 H new ATOM 0 HA ALA A 168 11.159 9.715 -5.738 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.057 9.167 -3.467 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.858 10.923 -3.673 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.668 9.998 -2.728 1.00 0.18 H new ATOM 2669 N ILE A 169 10.156 7.504 -5.662 1.00 0.01 N ATOM 2670 CA ILE A 169 9.605 6.119 -5.694 1.00 0.01 C ATOM 2671 C ILE A 169 10.658 5.249 -6.384 1.00 0.01 C ATOM 2672 O ILE A 169 11.093 5.557 -7.476 1.00 0.01 O ATOM 2673 CB ILE A 169 8.280 6.096 -6.489 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.129 6.734 -5.649 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.921 4.642 -6.853 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.903 8.198 -6.056 1.00 3.99 C ATOM 0 H ILE A 169 10.818 7.705 -6.412 1.00 0.01 H new ATOM 0 HA ILE A 169 9.392 5.751 -4.690 1.00 0.01 H new ATOM 0 HB ILE A 169 8.406 6.678 -7.402 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.210 6.166 -5.793 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.374 6.680 -4.588 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.986 4.627 -7.414 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.716 4.212 -7.462 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.806 4.056 -5.941 1.00 2.24 H new ATOM 0 HD11 ILE A 169 6.097 8.622 -5.458 1.00 3.99 H new ATOM 0 HD12 ILE A 169 7.817 8.768 -5.888 1.00 3.99 H new ATOM 0 HD13 ILE A 169 6.635 8.245 -7.111 1.00 3.99 H new ATOM 2688 N GLN A 170 11.106 4.196 -5.741 1.00 0.01 N ATOM 2689 CA GLN A 170 12.181 3.339 -6.345 1.00 0.01 C ATOM 2690 C GLN A 170 11.701 1.924 -6.690 1.00 0.02 C ATOM 2691 O GLN A 170 12.429 1.189 -7.326 1.00 0.01 O ATOM 2692 CB GLN A 170 13.345 3.251 -5.357 1.00 2.62 C ATOM 2693 CG GLN A 170 13.787 4.668 -4.971 1.00 3.39 C ATOM 2694 CD GLN A 170 14.299 5.404 -6.212 1.00 4.36 C ATOM 2695 OE1 GLN A 170 13.790 6.449 -6.566 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.291 4.899 -6.892 1.00 5.17 N ATOM 0 H GLN A 170 10.775 3.892 -4.825 1.00 0.01 H new ATOM 0 HA GLN A 170 12.486 3.805 -7.282 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.042 2.697 -4.468 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.177 2.707 -5.804 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.952 5.213 -4.532 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.570 4.622 -4.215 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.719 4.022 -6.595 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.639 5.381 -7.721 1.00 5.17 H new ATOM 2705 N SER A 171 10.522 1.491 -6.311 1.00 0.01 N ATOM 2706 CA SER A 171 10.121 0.097 -6.681 1.00 0.01 C ATOM 2707 C SER A 171 8.593 -0.015 -6.667 1.00 0.01 C ATOM 2708 O SER A 171 7.909 0.763 -6.031 1.00 0.01 O ATOM 2709 CB SER A 171 10.714 -0.887 -5.672 1.00 0.01 C ATOM 2710 OG SER A 171 9.912 -0.895 -4.498 1.00 0.02 O ATOM 0 H SER A 171 9.837 2.025 -5.776 1.00 0.01 H new ATOM 0 HA SER A 171 10.493 -0.137 -7.679 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.757 -1.887 -6.104 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.737 -0.602 -5.426 1.00 0.01 H new ATOM 0 HG SER A 171 10.417 -0.505 -3.754 1.00 0.02 H new ATOM 2716 N PHE A 172 8.053 -0.989 -7.356 1.00 0.01 N ATOM 2717 CA PHE A 172 6.567 -1.162 -7.368 1.00 0.01 C ATOM 2718 C PHE A 172 6.209 -2.629 -7.619 1.00 0.01 C ATOM 2719 O PHE A 172 6.974 -3.376 -8.198 1.00 0.01 O ATOM 2720 CB PHE A 172 5.932 -0.274 -8.443 1.00 1.06 C ATOM 2721 CG PHE A 172 6.547 -0.552 -9.797 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.178 -1.697 -10.518 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.474 0.345 -10.340 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.739 -1.943 -11.776 1.00 1.16 C ATOM 2725 CE2 PHE A 172 8.034 0.101 -11.599 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.666 -1.043 -12.318 1.00 1.92 C ATOM 0 H PHE A 172 8.574 -1.670 -7.909 1.00 0.01 H new ATOM 0 HA PHE A 172 6.176 -0.864 -6.395 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.858 -0.453 -8.482 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.071 0.776 -8.183 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.461 -2.389 -10.102 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.758 1.228 -9.786 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.457 -2.827 -12.329 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.749 0.794 -12.016 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.097 -1.232 -13.290 1.00 1.92 H new ATOM 2736 N ARG A 173 5.055 -3.055 -7.165 1.00 0.01 N ATOM 2737 CA ARG A 173 4.651 -4.484 -7.354 1.00 0.01 C ATOM 2738 C ARG A 173 3.143 -4.582 -7.593 1.00 0.01 C ATOM 2739 O ARG A 173 2.365 -3.784 -7.105 1.00 0.01 O ATOM 2740 CB ARG A 173 4.971 -5.282 -6.086 1.00 0.01 C ATOM 2741 CG ARG A 173 6.460 -5.207 -5.760 1.00 0.01 C ATOM 2742 CD ARG A 173 6.726 -6.024 -4.493 1.00 0.01 C ATOM 2743 NE ARG A 173 6.179 -5.302 -3.310 1.00 0.01 N ATOM 2744 CZ ARG A 173 6.005 -5.936 -2.183 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.314 -7.200 -2.091 1.00 0.01 N ATOM 2746 NH2 ARG A 173 5.524 -5.306 -1.147 1.00 0.01 N ATOM 0 H ARG A 173 4.376 -2.475 -6.672 1.00 0.01 H new ATOM 0 HA ARG A 173 5.195 -4.881 -8.211 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.391 -4.892 -5.250 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.676 -6.322 -6.221 1.00 0.01 H new ATOM 0 HG2 ARG A 173 7.049 -5.596 -6.591 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.763 -4.170 -5.612 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.263 -7.007 -4.578 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.797 -6.186 -4.370 1.00 0.01 H new ATOM 0 HE ARG A 173 5.941 -4.313 -3.381 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.692 -7.693 -2.900 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.178 -7.695 -1.210 1.00 0.01 H new ATOM 0 HH21 ARG A 173 5.284 -4.317 -1.218 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.388 -5.802 -0.266 1.00 0.01 H new ATOM 2760 N ARG A 174 2.731 -5.577 -8.331 1.00 0.01 N ATOM 2761 CA ARG A 174 1.277 -5.770 -8.597 1.00 0.01 C ATOM 2762 C ARG A 174 0.679 -6.616 -7.468 1.00 0.01 C ATOM 2763 O ARG A 174 1.305 -7.533 -6.973 1.00 0.01 O ATOM 2764 CB ARG A 174 1.081 -6.499 -9.929 1.00 0.01 C ATOM 2765 CG ARG A 174 2.060 -7.671 -10.027 1.00 0.01 C ATOM 2766 CD ARG A 174 1.728 -8.504 -11.267 1.00 0.01 C ATOM 2767 NE ARG A 174 2.846 -9.449 -11.542 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.667 -10.449 -12.362 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.512 -10.615 -12.944 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.643 -11.280 -12.601 1.00 0.01 N ATOM 0 H ARG A 174 3.343 -6.269 -8.764 1.00 0.01 H new ATOM 0 HA ARG A 174 0.783 -4.799 -8.646 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.056 -6.862 -10.008 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.240 -5.810 -10.758 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.084 -7.301 -10.087 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.996 -8.289 -9.132 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.801 -9.056 -11.111 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.569 -7.851 -12.125 1.00 0.01 H new ATOM 0 HE ARG A 174 3.751 -9.315 -11.090 1.00 0.01 H new ATOM 0 HH11 ARG A 174 0.749 -9.964 -12.758 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.371 -11.396 -13.585 1.00 0.01 H new ATOM 0 HH21 ARG A 174 4.547 -11.149 -12.147 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.502 -12.061 -13.242 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.528 -6.321 -7.063 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.166 -7.121 -5.968 1.00 0.01 C ATOM 2786 C ILE A 175 -2.023 -8.230 -6.584 1.00 0.00 C ATOM 2787 O ILE A 175 -2.846 -7.980 -7.442 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.044 -6.218 -5.083 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.380 -4.847 -4.941 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.200 -6.848 -3.698 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.213 -3.969 -4.003 1.00 3.04 C ATOM 0 H ILE A 175 -1.100 -5.565 -7.439 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.384 -7.561 -5.349 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.026 -6.107 -5.544 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.369 -4.960 -4.548 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.291 -4.371 -5.918 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.822 -6.206 -3.074 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.670 -7.827 -3.794 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.219 -6.961 -3.237 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.739 -2.993 -3.902 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.215 -3.846 -4.414 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.279 -4.443 -3.024 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.837 -9.457 -6.160 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.638 -10.590 -6.726 1.00 0.00 C ATOM 2805 C VAL A 176 -3.070 -11.538 -5.604 1.00 0.01 C ATOM 2806 O VAL A 176 -2.378 -11.712 -4.620 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.787 -11.374 -7.724 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.412 -10.462 -8.894 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.513 -11.871 -7.033 1.00 1.89 C ATOM 0 H VAL A 176 -1.162 -9.724 -5.443 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.518 -10.181 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.353 -12.229 -8.094 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.805 -11.018 -9.608 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.319 -10.109 -9.386 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.845 -9.608 -8.523 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.093 -12.430 -7.746 1.00 1.89 H new ATOM 0 HG22 VAL A 176 0.056 -11.018 -6.663 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.781 -12.519 -6.198 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.209 -12.158 -5.754 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.698 -13.106 -4.712 1.00 0.01 C ATOM 2821 C GLU A 177 -5.940 -13.836 -5.230 1.00 0.01 C ATOM 2822 O GLU A 177 -6.035 -15.045 -5.160 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.051 -12.329 -3.439 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.137 -13.293 -2.252 1.00 3.19 C ATOM 2825 CD GLU A 177 -5.380 -12.498 -0.968 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -4.665 -11.535 -0.747 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -6.277 -12.865 -0.227 1.00 4.77 O ATOM 0 H GLU A 177 -4.826 -12.048 -6.559 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.918 -13.834 -4.486 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.297 -11.566 -3.246 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.002 -11.812 -3.569 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.944 -14.008 -2.408 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.214 -13.867 -2.168 1.00 3.19 H new