USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 846 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 65 GLN : amide:sc= 0 X(o=-0.3,f=-0.62) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.252 K(o=-0.3,f=-2.2) USER MOD Set 1.3: A 88 THR OG1 : rot 180:sc= -0.0502 USER MOD Set 2.1: A 10 SER OG : rot 111:sc= 0.821 USER MOD Set 2.2: A 71 TYR OH : rot 130:sc= 0.485 USER MOD Set 2.3: A 85 THR OG1 : rot 137:sc= 2.59 USER MOD Set 2.4: A 105 ASN :FLIP amide:sc= 1.89 F(o=4.5,f=5.8) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -0.155 K(o=-0.55,f=-3.6!) USER MOD Set 3.2: A 45 TYR OH : rot 165:sc= 0 USER MOD Set 3.3: A 53 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 3.4: A 56 SER OG : rot 118:sc= -0.283 USER MOD Set 3.5: A 68 SER OG : rot -160:sc= 0.126 USER MOD Set 3.6: A 103 CYS SG : rot -179:sc= -0.237 USER MOD Set 4.1: A 16 MET CE :methyl 148:sc= -4.08! (180deg=-5.97!) USER MOD Set 4.2: A 42 TYR OH : rot 59:sc= 0.0275 USER MOD Set 4.3: A 57 HIS : no HD1:sc= -0.143 X(o=-4.2,f=-4.6) USER MOD Set 4.4: A 61 CYS SG : rot 180:sc= -0.0434 USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 99 GLN : amide:sc= 0 X(o=0.72,f=1.1) USER MOD Set 5.3: A 100 CYS SG : rot 31:sc= 0.717 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -107:sc= 0.562 USER MOD Single : A 13 SER OG : rot 72:sc= 0.12 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -33:sc= 0.866 USER MOD Single : A 26 THR OG1 : rot 96:sc= 1.3 USER MOD Single : A 31 TYR OH : rot 180:sc=-0.000456 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.37 F(o=-1.7,f=-0.37) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.18 K(o=-4.2,f=-7.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0225 F(o=-1.1,f=-0.022) USER MOD Single : A 54 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.21) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.847 F(o=-2.1!,f=-0.85) USER MOD Single : A 59 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 62 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.96) USER MOD Single : A 73 MET CE :methyl -123:sc=-2.65e-05 (180deg=-0.708) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.052) USER MOD Single : A 77 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.19) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.993 USER MOD Single : A 91 TYR OH : rot -172:sc= 0.0948 USER MOD Single : A 92 ASN : amide:sc= -1.34! C(o=-1.3!,f=-14!) USER MOD Single : A 95 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.39!) USER MOD Single : A 97 GLN : amide:sc= -0.971 X(o=-0.97,f=-1.2) USER MOD Single : A 102 MET CE :methyl 158:sc= -0.231 (180deg=-0.852) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.200 5.027 -9.444 1.00 0.74 N ATOM 61 CA LYS A 6 -8.573 5.913 -8.476 1.00 0.49 C ATOM 62 C LYS A 6 -7.177 5.416 -8.131 1.00 0.39 C ATOM 63 O LYS A 6 -7.014 4.386 -7.484 1.00 0.48 O ATOM 64 CB LYS A 6 -9.421 6.017 -7.206 1.00 0.68 C ATOM 65 CG LYS A 6 -10.361 7.218 -7.168 1.00 0.95 C ATOM 66 CD LYS A 6 -11.338 7.234 -8.338 1.00 1.62 C ATOM 67 CE LYS A 6 -12.321 8.391 -8.222 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.194 8.504 -9.421 1.00 2.61 N ATOM 0 HA LYS A 6 -8.496 6.904 -8.922 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -10.011 5.106 -7.103 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -8.756 6.065 -6.344 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -10.920 7.208 -6.232 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -9.773 8.136 -7.178 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -10.786 7.315 -9.274 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.885 6.292 -8.371 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -12.940 8.253 -7.335 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -11.771 9.322 -8.085 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.848 9.304 -9.300 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -12.606 8.661 -10.265 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.739 7.626 -9.537 1.00 2.61 H new ATOM 82 N THR A 7 -6.175 6.152 -8.572 1.00 0.30 N ATOM 83 CA THR A 7 -4.796 5.762 -8.361 1.00 0.27 C ATOM 84 C THR A 7 -4.113 6.747 -7.427 1.00 0.21 C ATOM 85 O THR A 7 -4.111 7.950 -7.681 1.00 0.22 O ATOM 86 CB THR A 7 -4.040 5.719 -9.703 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.752 4.892 -10.632 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.625 5.188 -9.530 1.00 0.34 C ATOM 0 H THR A 7 -6.292 7.028 -9.081 1.00 0.30 H new ATOM 0 HA THR A 7 -4.783 4.769 -7.912 1.00 0.27 H new ATOM 0 HB THR A 7 -3.975 6.738 -10.085 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.271 4.047 -10.753 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.122 5.172 -10.497 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.075 5.834 -8.846 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.663 4.177 -9.124 1.00 0.34 H new ATOM 96 N PHE A 8 -3.542 6.250 -6.345 1.00 0.19 N ATOM 97 CA PHE A 8 -2.846 7.121 -5.423 1.00 0.18 C ATOM 98 C PHE A 8 -1.474 6.550 -5.089 1.00 0.19 C ATOM 99 O PHE A 8 -1.323 5.347 -4.845 1.00 0.22 O ATOM 100 CB PHE A 8 -3.702 7.376 -4.166 1.00 0.21 C ATOM 101 CG PHE A 8 -3.427 6.482 -2.987 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.944 5.198 -2.923 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.657 6.942 -1.934 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.698 4.393 -1.828 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.408 6.148 -0.837 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.926 4.869 -0.783 1.00 0.40 C ATOM 0 H PHE A 8 -3.547 5.263 -6.088 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.684 8.089 -5.897 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.555 8.410 -3.854 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.752 7.271 -4.439 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.546 4.823 -3.738 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.245 7.939 -1.973 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.107 3.394 -1.787 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.809 6.524 -0.021 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.729 4.241 0.073 1.00 0.40 H new ATOM 116 N LEU A 9 -0.471 7.415 -5.128 1.00 0.18 N ATOM 117 CA LEU A 9 0.905 7.019 -4.876 1.00 0.20 C ATOM 118 C LEU A 9 1.112 6.772 -3.383 1.00 0.20 C ATOM 119 O LEU A 9 0.531 7.457 -2.542 1.00 0.33 O ATOM 120 CB LEU A 9 1.854 8.114 -5.393 1.00 0.22 C ATOM 121 CG LEU A 9 3.283 7.672 -5.748 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.132 7.460 -4.505 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.253 6.404 -6.592 1.00 0.37 C ATOM 0 H LEU A 9 -0.588 8.407 -5.334 1.00 0.18 H new ATOM 0 HA LEU A 9 1.124 6.091 -5.404 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.406 8.563 -6.279 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.917 8.896 -4.636 1.00 0.22 H new ATOM 0 HG LEU A 9 3.741 8.474 -6.328 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.135 7.148 -4.798 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.192 8.391 -3.942 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.679 6.688 -3.883 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.272 6.104 -6.835 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.764 5.606 -6.033 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.701 6.593 -7.513 1.00 0.37 H new ATOM 135 N SER A 10 1.921 5.785 -3.057 1.00 0.32 N ATOM 136 CA SER A 10 2.215 5.477 -1.672 1.00 0.32 C ATOM 137 C SER A 10 3.694 5.221 -1.485 1.00 0.28 C ATOM 138 O SER A 10 4.383 4.766 -2.402 1.00 0.29 O ATOM 139 CB SER A 10 1.425 4.259 -1.214 1.00 0.41 C ATOM 140 OG SER A 10 0.043 4.487 -1.343 1.00 1.10 O ATOM 0 H SER A 10 2.388 5.181 -3.734 1.00 0.32 H new ATOM 0 HA SER A 10 1.924 6.337 -1.068 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.712 3.389 -1.805 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.666 4.032 -0.175 1.00 0.41 H new ATOM 0 HG SER A 10 -0.316 3.925 -2.061 1.00 1.10 H new ATOM 146 N ARG A 11 4.174 5.496 -0.291 1.00 0.28 N ATOM 147 CA ARG A 11 5.561 5.244 0.033 1.00 0.30 C ATOM 148 C ARG A 11 5.647 4.513 1.345 1.00 0.21 C ATOM 149 O ARG A 11 4.891 4.784 2.269 1.00 0.21 O ATOM 150 CB ARG A 11 6.373 6.528 0.137 1.00 0.51 C ATOM 151 CG ARG A 11 6.324 7.398 -1.105 1.00 0.99 C ATOM 152 CD ARG A 11 7.686 7.481 -1.767 1.00 1.00 C ATOM 153 NE ARG A 11 8.731 7.934 -0.845 1.00 1.28 N ATOM 154 CZ ARG A 11 9.612 8.899 -1.123 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.491 9.618 -2.230 1.00 1.99 N ATOM 156 NH2 ARG A 11 10.597 9.170 -0.271 1.00 2.46 N ATOM 0 H ARG A 11 3.624 5.894 0.471 1.00 0.28 H new ATOM 0 HA ARG A 11 5.977 4.644 -0.776 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.010 7.106 0.986 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.412 6.272 0.347 1.00 0.51 H new ATOM 0 HG2 ARG A 11 5.598 6.992 -1.809 1.00 0.99 H new ATOM 0 HG3 ARG A 11 5.984 8.399 -0.839 1.00 0.99 H new ATOM 0 HD2 ARG A 11 7.955 6.501 -2.162 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.633 8.164 -2.615 1.00 1.00 H new ATOM 0 HE ARG A 11 8.790 7.483 0.068 1.00 1.28 H new ATOM 0 HH11 ARG A 11 8.722 9.436 -2.875 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.167 10.353 -2.437 1.00 1.99 H new ATOM 0 HH21 ARG A 11 10.681 8.641 0.597 1.00 2.46 H new ATOM 0 HH22 ARG A 11 11.268 9.907 -0.486 1.00 2.46 H new ATOM 170 N HIS A 12 6.527 3.548 1.399 1.00 0.25 N ATOM 171 CA HIS A 12 6.875 2.899 2.643 1.00 0.32 C ATOM 172 C HIS A 12 8.378 3.037 2.819 1.00 0.32 C ATOM 173 O HIS A 12 9.039 3.610 1.965 1.00 0.36 O ATOM 174 CB HIS A 12 6.477 1.416 2.640 1.00 0.36 C ATOM 175 CG HIS A 12 5.047 1.133 2.261 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.124 0.591 3.133 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.402 1.258 1.075 1.00 0.41 C ATOM 178 CE1 HIS A 12 2.985 0.394 2.499 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.124 0.791 1.251 1.00 0.51 N ATOM 0 H HIS A 12 7.024 3.187 0.585 1.00 0.25 H new ATOM 0 HA HIS A 12 6.336 3.369 3.466 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.131 0.883 1.950 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.660 1.006 3.633 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.297 0.376 4.115 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.818 1.653 0.160 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.088 -0.023 2.931 1.00 0.86 H new ATOM 188 N SER A 13 8.915 2.567 3.920 1.00 0.32 N ATOM 189 CA SER A 13 10.365 2.506 4.067 1.00 0.35 C ATOM 190 C SER A 13 10.763 1.209 4.750 1.00 0.43 C ATOM 191 O SER A 13 10.151 0.845 5.749 1.00 0.91 O ATOM 192 CB SER A 13 10.881 3.707 4.865 1.00 0.68 C ATOM 193 OG SER A 13 12.296 3.750 4.869 1.00 1.70 O ATOM 0 H SER A 13 8.386 2.224 4.721 1.00 0.32 H new ATOM 0 HA SER A 13 10.816 2.538 3.075 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.488 4.628 4.435 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.513 3.651 5.890 1.00 0.68 H new ATOM 0 HG SER A 13 12.618 4.006 3.980 1.00 1.70 H new ATOM 199 N MET A 14 11.782 0.535 4.176 1.00 0.27 N ATOM 200 CA MET A 14 12.315 -0.775 4.630 1.00 0.36 C ATOM 201 C MET A 14 11.253 -1.726 5.212 1.00 0.33 C ATOM 202 O MET A 14 10.817 -2.659 4.537 1.00 0.40 O ATOM 203 CB MET A 14 13.495 -0.595 5.605 1.00 0.56 C ATOM 204 CG MET A 14 13.238 0.365 6.755 1.00 1.35 C ATOM 205 SD MET A 14 14.664 0.535 7.846 1.00 1.76 S ATOM 206 CE MET A 14 14.022 1.671 9.073 1.00 2.75 C ATOM 0 H MET A 14 12.274 0.895 3.358 1.00 0.27 H new ATOM 0 HA MET A 14 12.678 -1.264 3.726 1.00 0.36 H new ATOM 0 HB2 MET A 14 13.758 -1.569 6.017 1.00 0.56 H new ATOM 0 HB3 MET A 14 14.360 -0.242 5.043 1.00 0.56 H new ATOM 0 HG2 MET A 14 12.972 1.343 6.355 1.00 1.35 H new ATOM 0 HG3 MET A 14 12.383 0.014 7.333 1.00 1.35 H new ATOM 0 HE1 MET A 14 14.791 1.874 9.819 1.00 2.75 H new ATOM 0 HE2 MET A 14 13.731 2.603 8.589 1.00 2.75 H new ATOM 0 HE3 MET A 14 13.153 1.228 9.559 1.00 2.75 H new ATOM 216 N ASP A 15 10.840 -1.472 6.450 1.00 0.36 N ATOM 217 CA ASP A 15 9.836 -2.276 7.144 1.00 0.41 C ATOM 218 C ASP A 15 8.507 -2.285 6.382 1.00 0.34 C ATOM 219 O ASP A 15 7.677 -3.176 6.571 1.00 0.41 O ATOM 220 CB ASP A 15 9.636 -1.691 8.545 1.00 0.56 C ATOM 221 CG ASP A 15 8.592 -2.419 9.359 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.904 -3.503 9.893 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.465 -1.898 9.486 1.00 1.49 O ATOM 0 H ASP A 15 11.196 -0.695 7.006 1.00 0.36 H new ATOM 0 HA ASP A 15 10.183 -3.307 7.208 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.585 -1.717 9.080 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.349 -0.643 8.455 1.00 0.56 H new ATOM 228 N MET A 16 8.327 -1.281 5.519 1.00 0.29 N ATOM 229 CA MET A 16 7.135 -1.150 4.683 1.00 0.35 C ATOM 230 C MET A 16 5.916 -0.753 5.519 1.00 0.37 C ATOM 231 O MET A 16 4.786 -1.119 5.203 1.00 0.69 O ATOM 232 CB MET A 16 6.871 -2.450 3.888 1.00 0.49 C ATOM 233 CG MET A 16 5.722 -2.357 2.886 1.00 0.67 C ATOM 234 SD MET A 16 5.539 -3.831 1.863 1.00 0.73 S ATOM 235 CE MET A 16 6.907 -3.618 0.731 1.00 0.48 C ATOM 0 H MET A 16 9.008 -0.534 5.382 1.00 0.29 H new ATOM 0 HA MET A 16 7.316 -0.351 3.964 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.781 -2.726 3.354 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.658 -3.255 4.592 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.792 -2.182 3.427 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.883 -1.494 2.240 1.00 0.67 H new ATOM 0 HE1 MET A 16 7.295 -4.595 0.441 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.565 -3.085 -0.156 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.696 -3.045 1.218 1.00 0.48 H new ATOM 245 N LYS A 17 6.117 0.046 6.559 1.00 0.31 N ATOM 246 CA LYS A 17 4.967 0.486 7.341 1.00 0.31 C ATOM 247 C LYS A 17 4.202 1.593 6.600 1.00 0.27 C ATOM 248 O LYS A 17 3.059 1.377 6.235 1.00 0.29 O ATOM 249 CB LYS A 17 5.368 0.930 8.759 1.00 0.42 C ATOM 250 CG LYS A 17 6.454 1.989 8.817 1.00 0.59 C ATOM 251 CD LYS A 17 6.535 2.661 10.180 1.00 0.70 C ATOM 252 CE LYS A 17 6.889 1.675 11.283 1.00 0.98 C ATOM 253 NZ LYS A 17 7.163 2.361 12.575 1.00 1.40 N ATOM 0 H LYS A 17 7.024 0.391 6.872 1.00 0.31 H new ATOM 0 HA LYS A 17 4.301 -0.369 7.458 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.483 1.311 9.268 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.704 0.055 9.316 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.416 1.533 8.582 1.00 0.59 H new ATOM 0 HG3 LYS A 17 6.264 2.743 8.053 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.282 3.454 10.149 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.579 3.133 10.409 1.00 0.70 H new ATOM 0 HE2 LYS A 17 6.070 0.968 11.414 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.764 1.097 10.986 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 7.400 1.654 13.300 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 7.961 3.017 12.457 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 6.319 2.892 12.872 1.00 1.40 H new ATOM 267 N PHE A 18 4.863 2.727 6.320 1.00 0.29 N ATOM 268 CA PHE A 18 4.330 3.802 5.462 1.00 0.30 C ATOM 269 C PHE A 18 5.123 5.083 5.752 1.00 0.38 C ATOM 270 O PHE A 18 5.388 5.396 6.906 1.00 0.68 O ATOM 271 CB PHE A 18 2.820 4.055 5.691 1.00 0.27 C ATOM 272 CG PHE A 18 1.947 3.790 4.490 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.857 4.704 3.437 1.00 0.40 C ATOM 274 CD2 PHE A 18 1.213 2.623 4.416 1.00 0.32 C ATOM 275 CE1 PHE A 18 1.050 4.444 2.343 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.407 2.361 3.324 1.00 0.38 C ATOM 277 CZ PHE A 18 0.347 3.332 2.259 1.00 0.44 C ATOM 0 H PHE A 18 5.794 2.928 6.686 1.00 0.29 H new ATOM 0 HA PHE A 18 4.440 3.497 4.421 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.481 3.427 6.515 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.682 5.091 6.002 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.423 5.623 3.477 1.00 0.40 H new ATOM 0 HD2 PHE A 18 1.269 1.906 5.221 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.995 5.167 1.542 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.166 1.447 3.269 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.273 3.148 1.394 1.00 0.44 H new ATOM 287 N THR A 19 5.613 5.737 4.715 1.00 0.21 N ATOM 288 CA THR A 19 6.296 7.017 4.868 1.00 0.23 C ATOM 289 C THR A 19 5.592 8.155 4.130 1.00 0.22 C ATOM 290 O THR A 19 5.784 9.327 4.457 1.00 0.26 O ATOM 291 CB THR A 19 7.760 6.923 4.405 1.00 0.30 C ATOM 292 OG1 THR A 19 7.843 6.179 3.179 1.00 0.63 O ATOM 293 CG2 THR A 19 8.623 6.261 5.467 1.00 0.43 C ATOM 0 H THR A 19 5.552 5.405 3.753 1.00 0.21 H new ATOM 0 HA THR A 19 6.269 7.249 5.933 1.00 0.23 H new ATOM 0 HB THR A 19 8.130 7.935 4.239 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.778 6.126 2.891 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.654 6.206 5.116 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.583 6.847 6.385 1.00 0.43 H new ATOM 0 HG23 THR A 19 8.252 5.255 5.662 1.00 0.43 H new ATOM 301 N TYR A 20 4.778 7.820 3.138 1.00 0.21 N ATOM 302 CA TYR A 20 4.066 8.843 2.367 1.00 0.23 C ATOM 303 C TYR A 20 2.761 8.288 1.823 1.00 0.21 C ATOM 304 O TYR A 20 2.680 7.120 1.438 1.00 0.22 O ATOM 305 CB TYR A 20 4.935 9.391 1.224 1.00 0.31 C ATOM 306 CG TYR A 20 4.274 10.467 0.380 1.00 0.38 C ATOM 307 CD1 TYR A 20 3.429 10.130 -0.674 1.00 0.46 C ATOM 308 CD2 TYR A 20 4.503 11.813 0.626 1.00 0.48 C ATOM 309 CE1 TYR A 20 2.831 11.100 -1.451 1.00 0.57 C ATOM 310 CE2 TYR A 20 3.906 12.792 -0.148 1.00 0.60 C ATOM 311 CZ TYR A 20 3.072 12.431 -1.186 1.00 0.64 C ATOM 312 OH TYR A 20 2.484 13.406 -1.963 1.00 0.77 O ATOM 0 H TYR A 20 4.592 6.860 2.847 1.00 0.21 H new ATOM 0 HA TYR A 20 3.841 9.670 3.041 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.855 9.795 1.647 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.220 8.563 0.574 1.00 0.31 H new ATOM 0 HD1 TYR A 20 3.238 9.089 -0.887 1.00 0.46 H new ATOM 0 HD2 TYR A 20 5.158 12.101 1.435 1.00 0.48 H new ATOM 0 HE1 TYR A 20 2.177 10.818 -2.263 1.00 0.57 H new ATOM 0 HE2 TYR A 20 4.092 13.835 0.060 1.00 0.60 H new ATOM 0 HH TYR A 20 2.758 14.290 -1.641 1.00 0.77 H new ATOM 322 N CYS A 21 1.748 9.134 1.803 1.00 0.19 N ATOM 323 CA CYS A 21 0.442 8.777 1.296 1.00 0.19 C ATOM 324 C CYS A 21 -0.059 9.881 0.375 1.00 0.18 C ATOM 325 O CYS A 21 -0.027 11.057 0.740 1.00 0.21 O ATOM 326 CB CYS A 21 -0.531 8.601 2.458 1.00 0.20 C ATOM 327 SG CYS A 21 -0.044 7.352 3.666 1.00 0.34 S ATOM 0 H CYS A 21 1.812 10.094 2.141 1.00 0.19 H new ATOM 0 HA CYS A 21 0.511 7.841 0.742 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.642 9.557 2.969 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.510 8.338 2.058 1.00 0.20 H new ATOM 0 HG CYS A 21 0.592 6.391 3.064 1.00 0.34 H new ATOM 333 N ASP A 22 -0.479 9.511 -0.820 1.00 0.17 N ATOM 334 CA ASP A 22 -1.063 10.472 -1.751 1.00 0.18 C ATOM 335 C ASP A 22 -2.325 11.068 -1.144 1.00 0.18 C ATOM 336 O ASP A 22 -3.023 10.397 -0.385 1.00 0.20 O ATOM 337 CB ASP A 22 -1.381 9.791 -3.082 1.00 0.20 C ATOM 338 CG ASP A 22 -1.777 10.762 -4.182 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.878 11.348 -4.107 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.993 10.921 -5.138 1.00 0.67 O ATOM 0 H ASP A 22 -0.429 8.555 -1.173 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.347 11.272 -1.937 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.510 9.222 -3.407 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.190 9.076 -2.931 1.00 0.20 H new ATOM 345 N ASP A 23 -2.618 12.315 -1.485 1.00 0.20 N ATOM 346 CA ASP A 23 -3.742 13.041 -0.890 1.00 0.23 C ATOM 347 C ASP A 23 -5.052 12.320 -1.165 1.00 0.21 C ATOM 348 O ASP A 23 -5.994 12.396 -0.380 1.00 0.23 O ATOM 349 CB ASP A 23 -3.826 14.469 -1.435 1.00 0.31 C ATOM 350 CG ASP A 23 -2.595 15.294 -1.124 1.00 1.33 C ATOM 351 OD1 ASP A 23 -2.515 15.856 -0.009 1.00 2.12 O ATOM 352 OD2 ASP A 23 -1.698 15.384 -1.987 1.00 1.97 O ATOM 0 H ASP A 23 -2.092 12.852 -2.175 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.572 13.083 0.186 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -3.969 14.432 -2.515 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.703 14.962 -1.014 1.00 0.31 H new ATOM 357 N ARG A 24 -5.083 11.607 -2.282 1.00 0.20 N ATOM 358 CA ARG A 24 -6.252 10.844 -2.706 1.00 0.21 C ATOM 359 C ARG A 24 -6.671 9.795 -1.671 1.00 0.19 C ATOM 360 O ARG A 24 -7.816 9.331 -1.670 1.00 0.21 O ATOM 361 CB ARG A 24 -5.976 10.180 -4.051 1.00 0.24 C ATOM 362 CG ARG A 24 -5.927 11.164 -5.206 1.00 0.66 C ATOM 363 CD ARG A 24 -5.500 10.493 -6.502 1.00 1.23 C ATOM 364 NE ARG A 24 -5.430 11.444 -7.611 1.00 1.64 N ATOM 365 CZ ARG A 24 -4.477 11.437 -8.546 1.00 2.49 C ATOM 366 NH1 ARG A 24 -3.519 10.520 -8.518 1.00 3.22 N ATOM 367 NH2 ARG A 24 -4.488 12.342 -9.517 1.00 2.98 N ATOM 0 H ARG A 24 -4.294 11.540 -2.925 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.082 11.543 -2.805 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.027 9.646 -3.997 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.749 9.437 -4.248 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -6.909 11.618 -5.338 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.233 11.970 -4.968 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.526 10.024 -6.364 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.204 9.699 -6.749 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.156 12.158 -7.674 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -3.508 9.816 -7.780 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -2.793 10.519 -9.235 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -5.226 13.045 -9.550 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -3.759 12.334 -10.230 1.00 2.98 H new ATOM 381 N ILE A 25 -5.744 9.413 -0.797 1.00 0.17 N ATOM 382 CA ILE A 25 -6.004 8.374 0.197 1.00 0.18 C ATOM 383 C ILE A 25 -7.188 8.753 1.095 1.00 0.19 C ATOM 384 O ILE A 25 -7.889 7.881 1.601 1.00 0.21 O ATOM 385 CB ILE A 25 -4.754 8.093 1.068 1.00 0.19 C ATOM 386 CG1 ILE A 25 -4.936 6.799 1.860 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.474 9.254 2.016 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.706 6.385 2.638 1.00 0.76 C ATOM 0 H ILE A 25 -4.804 9.808 -0.756 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.253 7.465 -0.350 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.898 7.982 0.402 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.769 6.921 2.552 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.207 5.998 1.173 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.591 9.030 2.615 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.299 10.162 1.438 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.331 9.402 2.673 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -3.910 5.459 3.175 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -2.875 6.230 1.950 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.446 7.168 3.351 1.00 0.76 H new ATOM 400 N THR A 26 -7.401 10.053 1.282 1.00 0.20 N ATOM 401 CA THR A 26 -8.548 10.548 2.041 1.00 0.22 C ATOM 402 C THR A 26 -9.853 9.979 1.494 1.00 0.25 C ATOM 403 O THR A 26 -10.762 9.623 2.247 1.00 0.31 O ATOM 404 CB THR A 26 -8.624 12.086 2.008 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.665 12.549 0.650 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.433 12.707 2.718 1.00 0.26 C ATOM 0 H THR A 26 -6.792 10.786 0.917 1.00 0.20 H new ATOM 0 HA THR A 26 -8.410 10.219 3.071 1.00 0.22 H new ATOM 0 HB THR A 26 -9.534 12.388 2.525 1.00 0.25 H new ATOM 0 HG1 THR A 26 -9.596 12.703 0.385 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.512 13.793 2.679 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.419 12.381 3.758 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.512 12.393 2.227 1.00 0.26 H new ATOM 414 N GLU A 27 -9.922 9.877 0.177 1.00 0.25 N ATOM 415 CA GLU A 27 -11.118 9.405 -0.496 1.00 0.30 C ATOM 416 C GLU A 27 -11.119 7.880 -0.578 1.00 0.33 C ATOM 417 O GLU A 27 -12.171 7.255 -0.708 1.00 0.43 O ATOM 418 CB GLU A 27 -11.190 9.980 -1.915 1.00 0.38 C ATOM 419 CG GLU A 27 -10.760 11.437 -2.024 1.00 0.55 C ATOM 420 CD GLU A 27 -11.644 12.381 -1.235 1.00 1.43 C ATOM 421 OE1 GLU A 27 -12.731 12.744 -1.733 1.00 1.63 O ATOM 422 OE2 GLU A 27 -11.267 12.749 -0.104 1.00 2.28 O ATOM 0 H GLU A 27 -9.155 10.118 -0.451 1.00 0.25 H new ATOM 0 HA GLU A 27 -11.983 9.737 0.078 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.561 9.378 -2.571 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.213 9.887 -2.281 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -9.733 11.533 -1.673 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.768 11.734 -3.073 1.00 0.55 H new ATOM 429 N LEU A 28 -9.932 7.285 -0.499 1.00 0.27 N ATOM 430 CA LEU A 28 -9.779 5.858 -0.767 1.00 0.30 C ATOM 431 C LEU A 28 -9.764 5.013 0.510 1.00 0.31 C ATOM 432 O LEU A 28 -10.536 4.062 0.641 1.00 0.35 O ATOM 433 CB LEU A 28 -8.499 5.637 -1.573 1.00 0.30 C ATOM 434 CG LEU A 28 -8.405 6.485 -2.845 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.130 6.181 -3.611 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.628 6.264 -3.720 1.00 0.32 C ATOM 0 H LEU A 28 -9.066 7.765 -0.253 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.646 5.530 -1.340 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.641 5.857 -0.938 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.432 4.584 -1.846 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.374 7.535 -2.553 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.090 6.797 -4.509 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.267 6.399 -2.982 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.117 5.128 -3.892 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.546 6.873 -4.620 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.691 5.212 -3.999 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.525 6.548 -3.170 1.00 0.32 H new ATOM 448 N ILE A 29 -8.894 5.355 1.448 1.00 0.28 N ATOM 449 CA ILE A 29 -8.754 4.578 2.677 1.00 0.30 C ATOM 450 C ILE A 29 -9.440 5.313 3.833 1.00 0.29 C ATOM 451 O ILE A 29 -9.568 4.800 4.944 1.00 0.33 O ATOM 452 CB ILE A 29 -7.261 4.311 3.005 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.542 3.718 1.783 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.117 3.371 4.196 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.117 2.401 1.302 1.00 1.10 C ATOM 0 H ILE A 29 -8.274 6.163 1.385 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.236 3.611 2.534 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.802 5.265 3.264 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.583 4.439 0.967 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.490 3.574 2.029 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.060 3.203 4.401 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.590 3.817 5.071 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.598 2.420 3.969 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.553 2.052 0.437 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.052 1.662 2.101 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.161 2.541 1.022 1.00 1.10 H new ATOM 467 N GLY A 30 -9.913 6.512 3.538 1.00 0.27 N ATOM 468 CA GLY A 30 -10.665 7.290 4.502 1.00 0.29 C ATOM 469 C GLY A 30 -9.819 8.053 5.504 1.00 0.28 C ATOM 470 O GLY A 30 -10.295 9.035 6.073 1.00 0.32 O ATOM 0 H GLY A 30 -9.788 6.968 2.634 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.294 7.999 3.964 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.332 6.621 5.046 1.00 0.29 H new ATOM 474 N TYR A 31 -8.584 7.630 5.744 1.00 0.28 N ATOM 475 CA TYR A 31 -7.723 8.357 6.664 1.00 0.33 C ATOM 476 C TYR A 31 -7.055 9.517 5.948 1.00 0.34 C ATOM 477 O TYR A 31 -7.254 9.727 4.752 1.00 0.43 O ATOM 478 CB TYR A 31 -6.647 7.460 7.276 1.00 0.38 C ATOM 479 CG TYR A 31 -7.170 6.260 8.034 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.680 6.394 9.320 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.127 4.990 7.474 1.00 0.39 C ATOM 482 CE1 TYR A 31 -8.140 5.297 10.023 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.590 3.888 8.168 1.00 0.43 C ATOM 484 CZ TYR A 31 -8.092 4.047 9.444 1.00 0.46 C ATOM 485 OH TYR A 31 -8.554 2.950 10.141 1.00 0.53 O ATOM 0 H TYR A 31 -8.163 6.802 5.322 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.356 8.727 7.471 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.991 7.110 6.479 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -6.036 8.059 7.951 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.717 7.372 9.777 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.725 4.861 6.480 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.535 5.418 11.021 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.559 2.908 7.715 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.450 2.146 9.591 1.00 0.53 H new ATOM 495 N HIS A 32 -6.244 10.248 6.680 1.00 0.31 N ATOM 496 CA HIS A 32 -5.466 11.331 6.110 1.00 0.34 C ATOM 497 C HIS A 32 -4.089 10.787 5.762 1.00 0.23 C ATOM 498 O HIS A 32 -3.630 9.845 6.406 1.00 0.23 O ATOM 499 CB HIS A 32 -5.333 12.465 7.137 1.00 0.52 C ATOM 500 CG HIS A 32 -5.435 13.848 6.569 1.00 0.68 C ATOM 501 ND1 HIS A 32 -6.155 14.333 5.532 1.00 1.52 N flip ATOM 502 CD2 HIS A 32 -4.756 14.928 7.094 1.00 1.52 C flip ATOM 503 CE1 HIS A 32 -5.899 15.676 5.450 1.00 1.90 C flip ATOM 504 NE2 HIS A 32 -5.055 16.012 6.402 1.00 1.89 N flip ATOM 0 H HIS A 32 -6.104 10.112 7.681 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.954 11.723 5.218 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -6.107 12.342 7.895 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.373 12.366 7.643 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.085 14.892 7.939 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.322 16.351 4.721 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -4.693 16.950 6.576 1.00 1.89 H new ATOM 513 N PRO A 33 -3.406 11.339 4.750 1.00 0.24 N ATOM 514 CA PRO A 33 -2.025 10.955 4.459 1.00 0.27 C ATOM 515 C PRO A 33 -1.169 11.050 5.714 1.00 0.25 C ATOM 516 O PRO A 33 -0.364 10.174 6.012 1.00 0.29 O ATOM 517 CB PRO A 33 -1.580 11.991 3.428 1.00 0.34 C ATOM 518 CG PRO A 33 -2.837 12.427 2.757 1.00 0.33 C ATOM 519 CD PRO A 33 -3.914 12.349 3.802 1.00 0.29 C ATOM 0 HA PRO A 33 -1.932 9.929 4.102 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.074 12.831 3.904 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.879 11.561 2.713 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.741 13.442 2.371 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -3.070 11.784 1.908 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.071 13.312 4.288 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.869 12.050 3.371 1.00 0.29 H new ATOM 527 N GLU A 34 -1.444 12.091 6.483 1.00 0.25 N ATOM 528 CA GLU A 34 -0.707 12.400 7.697 1.00 0.30 C ATOM 529 C GLU A 34 -1.129 11.459 8.812 1.00 0.28 C ATOM 530 O GLU A 34 -0.408 11.260 9.786 1.00 0.32 O ATOM 531 CB GLU A 34 -0.997 13.837 8.117 1.00 0.37 C ATOM 532 CG GLU A 34 -0.962 14.828 6.969 1.00 1.01 C ATOM 533 CD GLU A 34 0.406 14.952 6.334 1.00 1.68 C ATOM 534 OE1 GLU A 34 0.760 14.096 5.504 1.00 2.13 O ATOM 535 OE2 GLU A 34 1.129 15.919 6.656 1.00 2.14 O ATOM 0 H GLU A 34 -2.193 12.752 6.279 1.00 0.25 H new ATOM 0 HA GLU A 34 0.359 12.280 7.506 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.978 13.877 8.590 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.269 14.140 8.869 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.682 14.522 6.210 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.278 15.806 7.331 1.00 1.01 H new ATOM 542 N GLU A 35 -2.308 10.875 8.646 1.00 0.26 N ATOM 543 CA GLU A 35 -2.859 9.978 9.640 1.00 0.29 C ATOM 544 C GLU A 35 -2.212 8.614 9.540 1.00 0.29 C ATOM 545 O GLU A 35 -2.107 7.895 10.534 1.00 0.43 O ATOM 546 CB GLU A 35 -4.376 9.851 9.490 1.00 0.34 C ATOM 547 CG GLU A 35 -5.145 10.928 10.234 1.00 0.61 C ATOM 548 CD GLU A 35 -6.637 10.686 10.236 1.00 1.23 C ATOM 549 OE1 GLU A 35 -7.307 11.073 9.257 1.00 1.71 O ATOM 550 OE2 GLU A 35 -7.148 10.100 11.212 1.00 1.81 O ATOM 0 H GLU A 35 -2.900 11.010 7.827 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.647 10.400 10.623 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.634 9.895 8.432 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.690 8.873 9.854 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.788 10.978 11.263 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -4.939 11.896 9.778 1.00 0.61 H new ATOM 557 N LEU A 36 -1.789 8.237 8.342 1.00 0.27 N ATOM 558 CA LEU A 36 -1.077 6.991 8.212 1.00 0.29 C ATOM 559 C LEU A 36 0.401 7.212 8.448 1.00 0.32 C ATOM 560 O LEU A 36 0.927 6.857 9.500 1.00 0.46 O ATOM 561 CB LEU A 36 -1.256 6.349 6.833 1.00 0.29 C ATOM 562 CG LEU A 36 -2.576 5.626 6.600 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.670 6.615 6.271 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.429 4.592 5.492 1.00 0.29 C ATOM 0 H LEU A 36 -1.924 8.761 7.477 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.495 6.316 8.959 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -1.152 7.126 6.076 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.443 5.640 6.676 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.853 5.105 7.517 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.606 6.081 6.108 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.790 7.313 7.099 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.404 7.165 5.368 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.382 4.085 5.339 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.129 5.088 4.569 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.671 3.862 5.774 1.00 0.29 H new ATOM 576 N LEU A 37 0.991 7.974 7.526 1.00 0.41 N ATOM 577 CA LEU A 37 2.420 8.016 7.308 1.00 0.48 C ATOM 578 C LEU A 37 3.175 6.944 8.081 1.00 0.60 C ATOM 579 O LEU A 37 2.952 5.759 7.883 1.00 1.27 O ATOM 580 CB LEU A 37 2.978 9.403 7.607 1.00 0.76 C ATOM 581 CG LEU A 37 2.567 10.512 6.640 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.492 11.702 6.802 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.598 10.015 5.206 1.00 0.94 C ATOM 0 H LEU A 37 0.469 8.589 6.902 1.00 0.41 H new ATOM 0 HA LEU A 37 2.576 7.798 6.251 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.666 9.690 8.611 1.00 0.76 H new ATOM 0 HB3 LEU A 37 4.066 9.341 7.616 1.00 0.76 H new ATOM 0 HG LEU A 37 1.546 10.816 6.872 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.195 12.490 6.110 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.430 12.074 7.825 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.517 11.398 6.588 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.302 10.821 4.535 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.607 9.687 4.956 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.907 9.179 5.096 1.00 0.94 H new ATOM 595 N GLY A 38 4.010 7.376 8.998 1.00 0.31 N ATOM 596 CA GLY A 38 4.924 6.483 9.681 1.00 0.44 C ATOM 597 C GLY A 38 4.253 5.615 10.724 1.00 0.42 C ATOM 598 O GLY A 38 4.595 5.681 11.903 1.00 0.54 O ATOM 0 H GLY A 38 4.077 8.350 9.292 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.411 5.843 8.946 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.706 7.072 10.159 1.00 0.44 H new ATOM 602 N ARG A 39 3.295 4.810 10.296 1.00 0.34 N ATOM 603 CA ARG A 39 2.660 3.838 11.172 1.00 0.37 C ATOM 604 C ARG A 39 2.803 2.457 10.564 1.00 0.35 C ATOM 605 O ARG A 39 2.974 2.336 9.355 1.00 0.48 O ATOM 606 CB ARG A 39 1.182 4.167 11.362 1.00 0.48 C ATOM 607 CG ARG A 39 0.381 4.091 10.074 1.00 0.48 C ATOM 608 CD ARG A 39 -1.092 4.388 10.314 1.00 0.69 C ATOM 609 NE ARG A 39 -1.654 3.605 11.413 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.648 4.028 12.193 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.158 5.242 12.022 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.113 3.242 13.154 1.00 2.61 N ATOM 0 H ARG A 39 2.938 4.810 9.341 1.00 0.34 H new ATOM 0 HA ARG A 39 3.146 3.868 12.147 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.754 3.478 12.090 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.091 5.169 11.780 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.783 4.801 9.352 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.486 3.098 9.637 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.214 5.449 10.530 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.653 4.182 9.403 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.262 2.681 11.593 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.789 5.852 11.293 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.919 5.564 12.620 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.710 2.316 13.295 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.874 3.564 13.752 1.00 2.61 H new ATOM 626 N SER A 40 2.695 1.417 11.379 1.00 0.37 N ATOM 627 CA SER A 40 2.910 0.058 10.911 1.00 0.43 C ATOM 628 C SER A 40 1.727 -0.402 10.066 1.00 0.39 C ATOM 629 O SER A 40 0.641 -0.657 10.591 1.00 0.43 O ATOM 630 CB SER A 40 3.111 -0.889 12.097 1.00 0.57 C ATOM 631 OG SER A 40 4.236 -0.509 12.871 1.00 1.23 O ATOM 0 H SER A 40 2.459 1.490 12.369 1.00 0.37 H new ATOM 0 HA SER A 40 3.809 0.041 10.295 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.218 -0.887 12.723 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.244 -1.908 11.734 1.00 0.57 H new ATOM 0 HG SER A 40 4.341 -1.129 13.623 1.00 1.23 H new ATOM 637 N ALA A 41 1.950 -0.479 8.756 1.00 0.35 N ATOM 638 CA ALA A 41 0.918 -0.865 7.801 1.00 0.34 C ATOM 639 C ALA A 41 0.152 -2.098 8.243 1.00 0.33 C ATOM 640 O ALA A 41 -1.069 -2.095 8.244 1.00 0.33 O ATOM 641 CB ALA A 41 1.533 -1.115 6.432 1.00 0.35 C ATOM 0 H ALA A 41 2.853 -0.275 8.328 1.00 0.35 H new ATOM 0 HA ALA A 41 0.212 -0.037 7.747 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.751 -1.402 5.729 1.00 0.35 H new ATOM 0 HB2 ALA A 41 2.021 -0.206 6.081 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.268 -1.916 6.504 1.00 0.35 H new ATOM 647 N TYR A 42 0.885 -3.132 8.646 1.00 0.37 N ATOM 648 CA TYR A 42 0.321 -4.464 8.903 1.00 0.42 C ATOM 649 C TYR A 42 -0.861 -4.483 9.883 1.00 0.47 C ATOM 650 O TYR A 42 -1.553 -5.497 9.983 1.00 0.55 O ATOM 651 CB TYR A 42 1.419 -5.407 9.392 1.00 0.47 C ATOM 652 CG TYR A 42 2.476 -5.684 8.349 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.558 -4.830 8.189 1.00 0.67 C ATOM 654 CD2 TYR A 42 2.389 -6.799 7.524 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.525 -5.077 7.237 1.00 0.84 C ATOM 656 CE2 TYR A 42 3.353 -7.052 6.568 1.00 0.90 C ATOM 657 CZ TYR A 42 4.418 -6.188 6.430 1.00 0.91 C ATOM 658 OH TYR A 42 5.390 -6.442 5.489 1.00 1.14 O ATOM 0 H TYR A 42 1.891 -3.075 8.806 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.084 -4.801 7.949 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.893 -4.976 10.274 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.968 -6.350 9.701 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.644 -3.958 8.820 1.00 0.67 H new ATOM 0 HD2 TYR A 42 1.556 -7.477 7.632 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.361 -4.403 7.125 1.00 0.84 H new ATOM 0 HE2 TYR A 42 3.273 -7.921 5.932 1.00 0.90 H new ATOM 0 HH TYR A 42 6.259 -6.530 5.932 1.00 1.14 H new ATOM 668 N GLU A 43 -1.114 -3.388 10.594 1.00 0.48 N ATOM 669 CA GLU A 43 -2.251 -3.323 11.511 1.00 0.56 C ATOM 670 C GLU A 43 -3.565 -3.076 10.754 1.00 0.57 C ATOM 671 O GLU A 43 -4.645 -3.065 11.347 1.00 1.01 O ATOM 672 CB GLU A 43 -2.024 -2.216 12.543 1.00 0.65 C ATOM 673 CG GLU A 43 -0.844 -2.477 13.467 1.00 0.95 C ATOM 674 CD GLU A 43 -1.107 -3.611 14.442 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.204 -4.774 13.993 1.00 2.57 O ATOM 676 OE2 GLU A 43 -1.205 -3.352 15.660 1.00 1.89 O ATOM 0 H GLU A 43 -0.552 -2.538 10.555 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.332 -4.283 12.020 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -1.865 -1.272 12.022 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -2.926 -2.100 13.144 1.00 0.65 H new ATOM 0 HG2 GLU A 43 0.036 -2.714 12.869 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.616 -1.569 14.025 1.00 0.95 H new ATOM 683 N PHE A 44 -3.459 -2.877 9.443 1.00 0.40 N ATOM 684 CA PHE A 44 -4.618 -2.598 8.591 1.00 0.38 C ATOM 685 C PHE A 44 -4.321 -2.976 7.144 1.00 0.30 C ATOM 686 O PHE A 44 -5.210 -2.979 6.288 1.00 0.40 O ATOM 687 CB PHE A 44 -4.998 -1.113 8.667 1.00 0.48 C ATOM 688 CG PHE A 44 -3.868 -0.170 8.345 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.020 0.285 9.344 1.00 0.50 C ATOM 690 CD2 PHE A 44 -3.661 0.269 7.046 1.00 0.62 C ATOM 691 CE1 PHE A 44 -1.983 1.150 9.052 1.00 0.56 C ATOM 692 CE2 PHE A 44 -2.626 1.134 6.750 1.00 0.77 C ATOM 693 CZ PHE A 44 -1.787 1.577 7.754 1.00 0.70 C ATOM 0 H PHE A 44 -2.572 -2.904 8.940 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.454 -3.197 8.951 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.821 -0.924 7.978 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.365 -0.894 9.670 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.172 -0.041 10.362 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.316 -0.069 6.257 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.326 1.492 9.838 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.472 1.464 5.733 1.00 0.77 H new ATOM 0 HZ PHE A 44 -0.979 2.256 7.524 1.00 0.70 H new ATOM 703 N TYR A 45 -3.055 -3.253 6.876 1.00 0.29 N ATOM 704 CA TYR A 45 -2.571 -3.700 5.580 1.00 0.28 C ATOM 705 C TYR A 45 -3.191 -5.031 5.170 1.00 0.30 C ATOM 706 O TYR A 45 -2.521 -6.061 5.204 1.00 0.37 O ATOM 707 CB TYR A 45 -1.054 -3.877 5.679 1.00 0.34 C ATOM 708 CG TYR A 45 -0.282 -3.537 4.430 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.571 -2.394 3.703 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.762 -4.346 4.003 1.00 0.55 C ATOM 711 CE1 TYR A 45 0.152 -2.062 2.576 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.499 -4.017 2.880 1.00 0.68 C ATOM 713 CZ TYR A 45 1.189 -2.876 2.169 1.00 0.68 C ATOM 714 OH TYR A 45 1.925 -2.539 1.054 1.00 0.85 O ATOM 0 H TYR A 45 -2.315 -3.171 7.574 1.00 0.29 H new ATOM 0 HA TYR A 45 -2.845 -2.957 4.831 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.685 -3.255 6.495 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.842 -4.912 5.946 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.377 -1.751 4.024 1.00 0.47 H new ATOM 0 HD2 TYR A 45 1.002 -5.243 4.554 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.092 -1.171 2.016 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.314 -4.650 2.561 1.00 0.68 H new ATOM 0 HH TYR A 45 2.752 -3.065 1.036 1.00 0.85 H new ATOM 724 N HIS A 46 -4.466 -4.996 4.790 1.00 0.28 N ATOM 725 CA HIS A 46 -5.178 -6.181 4.306 1.00 0.31 C ATOM 726 C HIS A 46 -5.297 -7.226 5.420 1.00 0.37 C ATOM 727 O HIS A 46 -4.404 -8.031 5.602 1.00 0.57 O ATOM 728 CB HIS A 46 -4.446 -6.797 3.096 1.00 0.37 C ATOM 729 CG HIS A 46 -3.768 -5.784 2.225 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.398 -5.651 2.153 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.275 -4.805 1.452 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.098 -4.626 1.380 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.218 -4.096 0.941 1.00 0.43 N ATOM 0 H HIS A 46 -5.035 -4.150 4.808 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.177 -5.873 3.997 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.704 -7.510 3.455 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.162 -7.358 2.496 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.322 -4.613 1.268 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.102 -4.281 1.147 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.289 -3.289 0.321 1.00 0.43 H new ATOM 742 N ALA A 47 -6.406 -7.254 6.146 1.00 0.39 N ATOM 743 CA ALA A 47 -6.498 -8.130 7.322 1.00 0.44 C ATOM 744 C ALA A 47 -6.711 -9.587 6.910 1.00 0.44 C ATOM 745 O ALA A 47 -6.487 -10.514 7.687 1.00 0.48 O ATOM 746 CB ALA A 47 -7.617 -7.664 8.241 1.00 0.57 C ATOM 0 H ALA A 47 -7.239 -6.698 5.955 1.00 0.39 H new ATOM 0 HA ALA A 47 -5.554 -8.071 7.863 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -7.674 -8.322 9.108 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -7.416 -6.645 8.571 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.565 -7.690 7.703 1.00 0.57 H new ATOM 752 N LEU A 48 -7.130 -9.770 5.668 1.00 0.48 N ATOM 753 CA LEU A 48 -7.392 -11.105 5.138 1.00 0.53 C ATOM 754 C LEU A 48 -6.332 -11.474 4.102 1.00 0.48 C ATOM 755 O LEU A 48 -6.136 -12.643 3.776 1.00 0.52 O ATOM 756 CB LEU A 48 -8.809 -11.236 4.553 1.00 0.67 C ATOM 757 CG LEU A 48 -9.169 -10.306 3.390 1.00 0.76 C ATOM 758 CD1 LEU A 48 -10.418 -10.813 2.689 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.397 -8.886 3.881 1.00 0.99 C ATOM 0 H LEU A 48 -7.297 -9.013 5.005 1.00 0.48 H new ATOM 0 HA LEU A 48 -7.335 -11.808 5.969 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -8.944 -12.265 4.219 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -9.525 -11.066 5.357 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.335 -10.299 2.688 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.668 -10.147 1.863 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -10.237 -11.816 2.304 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -11.247 -10.840 3.397 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.651 -8.245 3.037 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.214 -8.877 4.602 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.489 -8.515 4.357 1.00 0.99 H new ATOM 771 N ASP A 49 -5.651 -10.448 3.601 1.00 0.45 N ATOM 772 CA ASP A 49 -4.786 -10.565 2.426 1.00 0.45 C ATOM 773 C ASP A 49 -3.327 -10.264 2.791 1.00 0.41 C ATOM 774 O ASP A 49 -2.418 -10.382 1.968 1.00 0.49 O ATOM 775 CB ASP A 49 -5.306 -9.582 1.370 1.00 0.55 C ATOM 776 CG ASP A 49 -4.410 -9.433 0.163 1.00 0.91 C ATOM 777 OD1 ASP A 49 -4.591 -10.203 -0.802 1.00 1.07 O ATOM 778 OD2 ASP A 49 -3.502 -8.581 0.203 1.00 1.64 O ATOM 0 H ASP A 49 -5.682 -9.509 3.997 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.810 -11.582 2.035 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -6.291 -9.911 1.038 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -5.436 -8.604 1.834 1.00 0.55 H new ATOM 783 N SER A 50 -3.125 -9.915 4.052 1.00 0.36 N ATOM 784 CA SER A 50 -1.809 -9.520 4.566 1.00 0.35 C ATOM 785 C SER A 50 -0.751 -10.566 4.240 1.00 0.35 C ATOM 786 O SER A 50 0.375 -10.225 3.898 1.00 0.41 O ATOM 787 CB SER A 50 -1.862 -9.295 6.079 1.00 0.37 C ATOM 788 OG SER A 50 -0.622 -8.832 6.587 1.00 1.25 O ATOM 0 H SER A 50 -3.865 -9.895 4.754 1.00 0.36 H new ATOM 0 HA SER A 50 -1.535 -8.586 4.076 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.643 -8.571 6.311 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.133 -10.227 6.576 1.00 0.37 H new ATOM 0 HG SER A 50 -0.695 -8.698 7.555 1.00 1.25 H new ATOM 794 N GLU A 51 -1.122 -11.836 4.334 1.00 0.38 N ATOM 795 CA GLU A 51 -0.211 -12.932 4.024 1.00 0.45 C ATOM 796 C GLU A 51 0.324 -12.803 2.602 1.00 0.43 C ATOM 797 O GLU A 51 1.535 -12.843 2.374 1.00 0.47 O ATOM 798 CB GLU A 51 -0.931 -14.266 4.185 1.00 0.55 C ATOM 799 CG GLU A 51 -0.043 -15.477 3.972 1.00 1.32 C ATOM 800 CD GLU A 51 1.008 -15.604 5.048 1.00 1.99 C ATOM 801 OE1 GLU A 51 2.051 -14.922 4.949 1.00 2.49 O ATOM 802 OE2 GLU A 51 0.796 -16.375 6.005 1.00 2.68 O ATOM 0 H GLU A 51 -2.053 -12.135 4.624 1.00 0.38 H new ATOM 0 HA GLU A 51 0.630 -12.888 4.716 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.362 -14.316 5.185 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -1.760 -14.307 3.478 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -0.656 -16.378 3.956 1.00 1.32 H new ATOM 0 HG3 GLU A 51 0.442 -15.404 2.998 1.00 1.32 H new ATOM 809 N ASN A 52 -0.587 -12.618 1.658 1.00 0.43 N ATOM 810 CA ASN A 52 -0.225 -12.496 0.254 1.00 0.48 C ATOM 811 C ASN A 52 0.613 -11.247 0.029 1.00 0.41 C ATOM 812 O ASN A 52 1.535 -11.244 -0.785 1.00 0.44 O ATOM 813 CB ASN A 52 -1.479 -12.452 -0.626 1.00 0.56 C ATOM 814 CG ASN A 52 -2.281 -13.741 -0.579 1.00 1.11 C ATOM 815 OD1 ASN A 52 -1.601 -14.869 -0.430 1.00 1.96 O flip ATOM 816 ND2 ASN A 52 -3.506 -13.723 -0.695 1.00 1.31 N flip ATOM 0 H ASN A 52 -1.588 -12.549 1.841 1.00 0.43 H new ATOM 0 HA ASN A 52 0.364 -13.370 -0.023 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.112 -11.624 -0.306 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.187 -12.250 -1.656 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -3.995 -12.835 -0.808 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -4.033 -14.596 -0.678 1.00 1.31 H new ATOM 823 N MET A 53 0.307 -10.190 0.770 1.00 0.35 N ATOM 824 CA MET A 53 1.047 -8.947 0.646 1.00 0.35 C ATOM 825 C MET A 53 2.381 -9.021 1.394 1.00 0.34 C ATOM 826 O MET A 53 3.302 -8.261 1.105 1.00 0.35 O ATOM 827 CB MET A 53 0.225 -7.771 1.159 1.00 0.42 C ATOM 828 CG MET A 53 0.749 -6.437 0.671 1.00 0.96 C ATOM 829 SD MET A 53 0.631 -6.268 -1.120 1.00 1.28 S ATOM 830 CE MET A 53 1.501 -4.727 -1.386 1.00 0.79 C ATOM 0 H MET A 53 -0.445 -10.171 1.459 1.00 0.35 H new ATOM 0 HA MET A 53 1.254 -8.793 -0.413 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.810 -7.889 0.839 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.225 -7.780 2.249 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.188 -5.633 1.147 1.00 0.96 H new ATOM 0 HG3 MET A 53 1.789 -6.324 0.976 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.571 -4.529 -2.456 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.959 -3.915 -0.901 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.503 -4.797 -0.964 1.00 0.79 H new ATOM 840 N THR A 54 2.493 -9.935 2.350 1.00 0.37 N ATOM 841 CA THR A 54 3.760 -10.149 3.034 1.00 0.45 C ATOM 842 C THR A 54 4.685 -10.921 2.105 1.00 0.45 C ATOM 843 O THR A 54 5.893 -10.677 2.055 1.00 0.48 O ATOM 844 CB THR A 54 3.593 -10.907 4.370 1.00 0.55 C ATOM 845 OG1 THR A 54 2.659 -10.219 5.213 1.00 0.57 O ATOM 846 CG2 THR A 54 4.925 -11.023 5.097 1.00 0.72 C ATOM 0 H THR A 54 1.730 -10.534 2.666 1.00 0.37 H new ATOM 0 HA THR A 54 4.184 -9.176 3.281 1.00 0.45 H new ATOM 0 HB THR A 54 3.222 -11.907 4.145 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.745 -10.429 4.928 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.782 -11.560 6.035 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.634 -11.566 4.472 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.314 -10.026 5.306 1.00 0.72 H new ATOM 854 N LYS A 55 4.098 -11.844 1.351 1.00 0.46 N ATOM 855 CA LYS A 55 4.808 -12.483 0.246 1.00 0.52 C ATOM 856 C LYS A 55 5.190 -11.440 -0.799 1.00 0.41 C ATOM 857 O LYS A 55 6.235 -11.536 -1.433 1.00 0.42 O ATOM 858 CB LYS A 55 3.943 -13.570 -0.398 1.00 0.67 C ATOM 859 CG LYS A 55 4.074 -14.951 0.233 1.00 0.95 C ATOM 860 CD LYS A 55 3.938 -14.921 1.747 1.00 1.14 C ATOM 861 CE LYS A 55 3.640 -16.303 2.298 1.00 1.37 C ATOM 862 NZ LYS A 55 3.918 -16.398 3.754 1.00 1.49 N ATOM 0 H LYS A 55 3.139 -12.166 1.482 1.00 0.46 H new ATOM 0 HA LYS A 55 5.712 -12.948 0.640 1.00 0.52 H new ATOM 0 HB2 LYS A 55 2.899 -13.261 -0.347 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.203 -13.643 -1.454 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.311 -15.610 -0.183 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.042 -15.377 -0.032 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.858 -14.541 2.190 1.00 1.14 H new ATOM 0 HD3 LYS A 55 3.140 -14.234 2.030 1.00 1.14 H new ATOM 0 HE2 LYS A 55 2.594 -16.549 2.113 1.00 1.37 H new ATOM 0 HE3 LYS A 55 4.240 -17.042 1.766 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 3.733 -17.368 4.080 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 4.913 -16.156 3.934 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.303 -15.736 4.269 1.00 1.49 H new ATOM 876 N SER A 56 4.337 -10.441 -0.974 1.00 0.36 N ATOM 877 CA SER A 56 4.648 -9.325 -1.852 1.00 0.34 C ATOM 878 C SER A 56 5.850 -8.549 -1.304 1.00 0.28 C ATOM 879 O SER A 56 6.757 -8.195 -2.048 1.00 0.28 O ATOM 880 CB SER A 56 3.426 -8.412 -2.003 1.00 0.39 C ATOM 881 OG SER A 56 3.659 -7.378 -2.941 1.00 1.26 O ATOM 0 H SER A 56 3.426 -10.381 -0.520 1.00 0.36 H new ATOM 0 HA SER A 56 4.907 -9.707 -2.839 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.567 -9.003 -2.319 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.175 -7.976 -1.036 1.00 0.39 H new ATOM 0 HG SER A 56 3.032 -7.468 -3.689 1.00 1.26 H new ATOM 887 N HIS A 57 5.864 -8.321 0.010 1.00 0.29 N ATOM 888 CA HIS A 57 6.982 -7.645 0.673 1.00 0.30 C ATOM 889 C HIS A 57 8.275 -8.443 0.503 1.00 0.31 C ATOM 890 O HIS A 57 9.312 -7.891 0.135 1.00 0.34 O ATOM 891 CB HIS A 57 6.668 -7.443 2.167 1.00 0.35 C ATOM 892 CG HIS A 57 7.761 -6.774 2.965 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.010 -7.069 4.290 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.655 -5.810 2.629 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.004 -6.318 4.728 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.416 -5.549 3.742 1.00 0.39 N ATOM 0 H HIS A 57 5.110 -8.596 0.640 1.00 0.29 H new ATOM 0 HA HIS A 57 7.121 -6.669 0.208 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.759 -6.848 2.254 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.457 -8.415 2.613 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.751 -5.335 1.664 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.411 -6.332 5.728 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.176 -4.871 3.796 1.00 0.39 H new ATOM 905 N GLN A 58 8.199 -9.747 0.748 1.00 0.32 N ATOM 906 CA GLN A 58 9.371 -10.614 0.671 1.00 0.37 C ATOM 907 C GLN A 58 9.851 -10.744 -0.775 1.00 0.33 C ATOM 908 O GLN A 58 11.032 -10.991 -1.034 1.00 0.37 O ATOM 909 CB GLN A 58 9.057 -11.994 1.268 1.00 0.46 C ATOM 910 CG GLN A 58 8.248 -12.907 0.367 1.00 1.24 C ATOM 911 CD GLN A 58 7.888 -14.220 1.036 1.00 1.77 C ATOM 912 OE1 GLN A 58 7.711 -14.193 2.349 1.00 2.36 O flip ATOM 913 NE2 GLN A 58 7.760 -15.249 0.378 1.00 2.26 N flip ATOM 0 H GLN A 58 7.336 -10.228 1.002 1.00 0.32 H new ATOM 0 HA GLN A 58 10.174 -10.163 1.255 1.00 0.37 H new ATOM 0 HB2 GLN A 58 9.996 -12.490 1.515 1.00 0.46 H new ATOM 0 HB3 GLN A 58 8.514 -11.855 2.203 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.334 -12.396 0.064 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.815 -13.110 -0.541 1.00 1.24 H new ATOM 0 HE21 GLN A 58 7.905 -15.230 -0.632 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.509 -16.123 0.841 1.00 2.26 H new ATOM 922 N ASN A 59 8.930 -10.558 -1.709 1.00 0.28 N ATOM 923 CA ASN A 59 9.247 -10.655 -3.127 1.00 0.28 C ATOM 924 C ASN A 59 9.805 -9.327 -3.618 1.00 0.29 C ATOM 925 O ASN A 59 10.820 -9.280 -4.305 1.00 0.34 O ATOM 926 CB ASN A 59 8.001 -11.038 -3.935 1.00 0.30 C ATOM 927 CG ASN A 59 8.269 -11.143 -5.426 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.681 -12.191 -5.923 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.020 -10.064 -6.151 1.00 0.83 N ATOM 0 H ASN A 59 7.954 -10.338 -1.510 1.00 0.28 H new ATOM 0 HA ASN A 59 9.996 -11.434 -3.267 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.619 -11.992 -3.572 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.221 -10.296 -3.763 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.169 -10.082 -7.160 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.679 -9.215 -5.701 1.00 0.83 H new ATOM 936 N LEU A 60 9.141 -8.252 -3.220 1.00 0.27 N ATOM 937 CA LEU A 60 9.466 -6.905 -3.666 1.00 0.28 C ATOM 938 C LEU A 60 10.897 -6.516 -3.306 1.00 0.34 C ATOM 939 O LEU A 60 11.641 -6.028 -4.153 1.00 0.43 O ATOM 940 CB LEU A 60 8.470 -5.915 -3.054 1.00 0.25 C ATOM 941 CG LEU A 60 8.722 -4.440 -3.350 1.00 0.26 C ATOM 942 CD1 LEU A 60 8.892 -4.216 -4.839 1.00 0.29 C ATOM 943 CD2 LEU A 60 7.576 -3.597 -2.818 1.00 0.33 C ATOM 0 H LEU A 60 8.354 -8.290 -2.572 1.00 0.27 H new ATOM 0 HA LEU A 60 9.392 -6.877 -4.753 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.471 -6.170 -3.408 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.470 -6.053 -1.973 1.00 0.25 H new ATOM 0 HG LEU A 60 9.643 -4.139 -2.850 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.071 -3.158 -5.030 1.00 0.29 H new ATOM 0 HD12 LEU A 60 9.740 -4.798 -5.200 1.00 0.29 H new ATOM 0 HD13 LEU A 60 7.988 -4.531 -5.360 1.00 0.29 H new ATOM 0 HD21 LEU A 60 7.766 -2.546 -3.035 1.00 0.33 H new ATOM 0 HD22 LEU A 60 6.646 -3.904 -3.297 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.492 -3.736 -1.740 1.00 0.33 H new ATOM 955 N CYS A 61 11.274 -6.733 -2.058 1.00 0.36 N ATOM 956 CA CYS A 61 12.613 -6.385 -1.602 1.00 0.48 C ATOM 957 C CYS A 61 13.667 -7.178 -2.375 1.00 0.58 C ATOM 958 O CYS A 61 14.621 -6.609 -2.907 1.00 0.92 O ATOM 959 CB CYS A 61 12.744 -6.634 -0.099 1.00 0.54 C ATOM 960 SG CYS A 61 11.629 -5.627 0.905 1.00 1.20 S ATOM 0 H CYS A 61 10.676 -7.147 -1.343 1.00 0.36 H new ATOM 0 HA CYS A 61 12.779 -5.324 -1.791 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.550 -7.687 0.104 1.00 0.54 H new ATOM 0 HB3 CYS A 61 13.772 -6.435 0.205 1.00 0.54 H new ATOM 0 HG CYS A 61 11.807 -5.905 2.162 1.00 1.20 H new ATOM 966 N THR A 62 13.478 -8.489 -2.429 1.00 0.54 N ATOM 967 CA THR A 62 14.387 -9.377 -3.143 1.00 0.76 C ATOM 968 C THR A 62 14.475 -9.087 -4.632 1.00 0.60 C ATOM 969 O THR A 62 15.565 -9.107 -5.202 1.00 0.82 O ATOM 970 CB THR A 62 13.961 -10.844 -2.941 1.00 1.11 C ATOM 971 OG1 THR A 62 13.732 -11.099 -1.546 1.00 1.27 O ATOM 972 CG2 THR A 62 15.020 -11.803 -3.466 1.00 1.45 C ATOM 0 H THR A 62 12.695 -8.966 -1.982 1.00 0.54 H new ATOM 0 HA THR A 62 15.376 -9.198 -2.721 1.00 0.76 H new ATOM 0 HB THR A 62 13.041 -11.008 -3.502 1.00 1.11 H new ATOM 0 HG1 THR A 62 12.770 -11.186 -1.383 1.00 1.27 H new ATOM 0 HG21 THR A 62 14.691 -12.830 -3.309 1.00 1.45 H new ATOM 0 HG22 THR A 62 15.172 -11.629 -4.531 1.00 1.45 H new ATOM 0 HG23 THR A 62 15.957 -11.637 -2.934 1.00 1.45 H new ATOM 980 N LYS A 63 13.363 -8.792 -5.261 1.00 0.50 N ATOM 981 CA LYS A 63 13.354 -8.692 -6.705 1.00 0.43 C ATOM 982 C LYS A 63 13.417 -7.247 -7.194 1.00 0.39 C ATOM 983 O LYS A 63 13.554 -7.001 -8.394 1.00 0.39 O ATOM 984 CB LYS A 63 12.122 -9.380 -7.257 1.00 0.45 C ATOM 985 CG LYS A 63 11.973 -10.824 -6.810 1.00 0.54 C ATOM 986 CD LYS A 63 13.060 -11.707 -7.402 1.00 0.68 C ATOM 987 CE LYS A 63 12.927 -13.144 -6.926 1.00 0.85 C ATOM 988 NZ LYS A 63 13.906 -14.043 -7.592 1.00 1.76 N ATOM 0 H LYS A 63 12.466 -8.619 -4.808 1.00 0.50 H new ATOM 0 HA LYS A 63 14.252 -9.189 -7.072 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.238 -8.822 -6.950 1.00 0.45 H new ATOM 0 HB3 LYS A 63 12.157 -9.348 -8.346 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.014 -10.875 -5.722 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.995 -11.199 -7.110 1.00 0.54 H new ATOM 0 HD2 LYS A 63 13.004 -11.676 -8.490 1.00 0.68 H new ATOM 0 HD3 LYS A 63 14.039 -11.318 -7.122 1.00 0.68 H new ATOM 0 HE2 LYS A 63 13.074 -13.184 -5.847 1.00 0.85 H new ATOM 0 HE3 LYS A 63 11.916 -13.499 -7.123 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 13.782 -15.013 -7.239 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 13.750 -14.026 -8.620 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 14.872 -13.720 -7.383 1.00 1.76 H new ATOM 1002 N GLY A 64 13.324 -6.295 -6.274 1.00 0.40 N ATOM 1003 CA GLY A 64 13.368 -4.889 -6.647 1.00 0.42 C ATOM 1004 C GLY A 64 12.035 -4.365 -7.152 1.00 0.37 C ATOM 1005 O GLY A 64 11.837 -3.152 -7.260 1.00 0.41 O ATOM 0 H GLY A 64 13.219 -6.469 -5.274 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.680 -4.300 -5.785 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.124 -4.748 -7.420 1.00 0.42 H new ATOM 1009 N GLN A 65 11.111 -5.272 -7.424 1.00 0.34 N ATOM 1010 CA GLN A 65 9.827 -4.916 -8.011 1.00 0.33 C ATOM 1011 C GLN A 65 8.839 -6.065 -7.830 1.00 0.34 C ATOM 1012 O GLN A 65 9.238 -7.225 -7.731 1.00 0.43 O ATOM 1013 CB GLN A 65 9.983 -4.567 -9.499 1.00 0.41 C ATOM 1014 CG GLN A 65 8.692 -4.093 -10.150 1.00 0.49 C ATOM 1015 CD GLN A 65 8.894 -3.543 -11.550 1.00 0.81 C ATOM 1016 OE1 GLN A 65 9.795 -3.963 -12.277 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.051 -2.600 -11.936 1.00 1.32 N ATOM 0 H GLN A 65 11.227 -6.270 -7.246 1.00 0.34 H new ATOM 0 HA GLN A 65 9.442 -4.034 -7.499 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.740 -3.790 -9.604 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.349 -5.444 -10.033 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.987 -4.924 -10.191 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.240 -3.322 -9.526 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.318 -2.280 -11.302 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.133 -2.192 -12.867 1.00 1.32 H new ATOM 1026 N VAL A 66 7.560 -5.730 -7.768 1.00 0.32 N ATOM 1027 CA VAL A 66 6.513 -6.717 -7.560 1.00 0.35 C ATOM 1028 C VAL A 66 5.231 -6.274 -8.263 1.00 0.33 C ATOM 1029 O VAL A 66 4.900 -5.091 -8.269 1.00 0.32 O ATOM 1030 CB VAL A 66 6.239 -6.924 -6.048 1.00 0.36 C ATOM 1031 CG1 VAL A 66 5.841 -5.625 -5.380 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.161 -7.955 -5.820 1.00 0.44 C ATOM 0 H VAL A 66 7.220 -4.773 -7.860 1.00 0.32 H new ATOM 0 HA VAL A 66 6.848 -7.664 -7.982 1.00 0.35 H new ATOM 0 HB VAL A 66 7.168 -7.282 -5.604 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.655 -5.803 -4.321 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.645 -4.898 -5.491 1.00 0.31 H new ATOM 0 HG13 VAL A 66 4.935 -5.238 -5.847 1.00 0.31 H new ATOM 0 HG21 VAL A 66 4.994 -8.076 -4.750 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.237 -7.627 -6.297 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.472 -8.908 -6.248 1.00 0.44 H new ATOM 1042 N VAL A 67 4.523 -7.211 -8.877 1.00 0.39 N ATOM 1043 CA VAL A 67 3.258 -6.886 -9.517 1.00 0.45 C ATOM 1044 C VAL A 67 2.133 -7.705 -8.900 1.00 0.49 C ATOM 1045 O VAL A 67 1.890 -8.852 -9.283 1.00 0.92 O ATOM 1046 CB VAL A 67 3.295 -7.112 -11.046 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.986 -6.676 -11.687 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.463 -6.361 -11.667 1.00 1.16 C ATOM 0 H VAL A 67 4.799 -8.191 -8.945 1.00 0.39 H new ATOM 0 HA VAL A 67 3.077 -5.824 -9.349 1.00 0.45 H new ATOM 0 HB VAL A 67 3.429 -8.178 -11.229 1.00 0.58 H new ATOM 0 HG11 VAL A 67 2.034 -6.844 -12.763 1.00 0.91 H new ATOM 0 HG12 VAL A 67 1.164 -7.255 -11.266 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.821 -5.616 -11.492 1.00 0.91 H new ATOM 0 HG21 VAL A 67 4.474 -6.531 -12.744 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.356 -5.294 -11.469 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.397 -6.718 -11.234 1.00 1.16 H new ATOM 1058 N SER A 68 1.492 -7.123 -7.902 1.00 0.52 N ATOM 1059 CA SER A 68 0.371 -7.755 -7.230 1.00 0.54 C ATOM 1060 C SER A 68 -0.916 -7.579 -8.031 1.00 0.53 C ATOM 1061 O SER A 68 -0.905 -7.025 -9.135 1.00 0.94 O ATOM 1062 CB SER A 68 0.220 -7.168 -5.826 1.00 0.58 C ATOM 1063 OG SER A 68 1.410 -7.360 -5.078 1.00 1.39 O ATOM 0 H SER A 68 1.733 -6.202 -7.536 1.00 0.52 H new ATOM 0 HA SER A 68 0.565 -8.825 -7.150 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.007 -6.104 -5.893 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.618 -7.642 -5.315 1.00 0.58 H new ATOM 0 HG SER A 68 1.212 -7.280 -4.122 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.016 -8.058 -7.472 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.304 -7.850 -8.067 1.00 0.43 C ATOM 1071 C GLY A 69 -4.221 -7.185 -7.075 1.00 0.38 C ATOM 1072 O GLY A 69 -3.762 -6.724 -6.027 1.00 0.42 O ATOM 0 H GLY A 69 -2.031 -8.594 -6.604 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.207 -7.231 -8.959 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.726 -8.803 -8.385 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.497 -7.113 -7.406 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.502 -6.619 -6.495 1.00 0.43 C ATOM 1078 C GLN A 70 -6.398 -7.340 -5.154 1.00 0.35 C ATOM 1079 O GLN A 70 -6.557 -8.558 -5.076 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.889 -6.859 -7.089 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.988 -6.577 -8.580 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.414 -6.649 -9.094 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.255 -7.360 -8.544 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.687 -5.942 -10.179 1.00 1.31 N ATOM 0 H GLN A 70 -5.862 -7.396 -8.315 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.344 -5.552 -6.340 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.175 -7.895 -6.907 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.610 -6.232 -6.564 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.581 -5.587 -8.787 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.373 -7.295 -9.123 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -8.963 -5.364 -10.607 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.621 -5.975 -10.588 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.093 -6.583 -4.118 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.044 -7.106 -2.768 1.00 0.36 C ATOM 1095 C TYR A 71 -7.119 -6.434 -1.941 1.00 0.32 C ATOM 1096 O TYR A 71 -7.797 -5.530 -2.426 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.664 -6.904 -2.125 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.151 -5.478 -2.112 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.946 -4.417 -1.684 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -2.860 -5.198 -2.530 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.470 -3.126 -1.680 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.376 -3.905 -2.524 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.189 -2.875 -2.101 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.710 -1.592 -2.084 1.00 0.68 O ATOM 0 H TYR A 71 -5.873 -5.590 -4.189 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.221 -8.181 -2.806 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.705 -7.266 -1.098 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -3.942 -7.526 -2.654 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.954 -4.611 -1.349 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.223 -6.003 -2.865 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.101 -2.315 -1.347 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.366 -3.702 -2.849 1.00 0.62 H new ATOM 0 HH TYR A 71 -1.840 -1.574 -1.633 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.273 -6.846 -0.699 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.316 -6.283 0.132 1.00 0.33 C ATOM 1116 C ARG A 72 -7.697 -5.359 1.171 1.00 0.27 C ATOM 1117 O ARG A 72 -7.116 -5.837 2.141 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.110 -7.387 0.843 1.00 0.43 C ATOM 1119 CG ARG A 72 -9.553 -8.552 -0.038 1.00 0.65 C ATOM 1120 CD ARG A 72 -8.420 -9.546 -0.279 1.00 1.06 C ATOM 1121 NE ARG A 72 -8.910 -10.862 -0.687 1.00 1.10 N ATOM 1122 CZ ARG A 72 -8.129 -11.892 -1.023 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -6.808 -11.761 -1.053 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -8.677 -13.061 -1.340 1.00 1.52 N ATOM 0 H ARG A 72 -6.698 -7.558 -0.248 1.00 0.36 H new ATOM 0 HA ARG A 72 -8.998 -5.722 -0.508 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.501 -7.781 1.657 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -9.995 -6.940 1.295 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.392 -9.065 0.433 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.910 -8.169 -0.994 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -7.755 -9.155 -1.048 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -7.830 -9.647 0.632 1.00 1.06 H new ATOM 0 HE ARG A 72 -9.920 -11.003 -0.717 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -6.379 -10.866 -0.818 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -6.222 -12.555 -1.311 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -9.691 -13.169 -1.326 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -8.083 -13.850 -1.597 1.00 1.52 H new ATOM 1138 N MET A 73 -7.822 -4.046 0.993 1.00 0.26 N ATOM 1139 CA MET A 73 -7.222 -3.123 1.960 1.00 0.26 C ATOM 1140 C MET A 73 -8.270 -2.648 2.955 1.00 0.23 C ATOM 1141 O MET A 73 -9.421 -2.421 2.586 1.00 0.24 O ATOM 1142 CB MET A 73 -6.588 -1.906 1.293 1.00 0.30 C ATOM 1143 CG MET A 73 -5.822 -1.023 2.276 1.00 0.35 C ATOM 1144 SD MET A 73 -4.063 -1.418 2.358 1.00 0.77 S ATOM 1145 CE MET A 73 -3.473 -0.044 3.345 1.00 0.60 C ATOM 0 H MET A 73 -8.315 -3.605 0.217 1.00 0.26 H new ATOM 0 HA MET A 73 -6.434 -3.677 2.471 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.910 -2.240 0.508 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.367 -1.315 0.811 1.00 0.30 H new ATOM 0 HG2 MET A 73 -5.941 0.021 1.986 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.259 -1.130 3.269 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.696 0.490 2.798 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.300 0.634 3.556 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.063 -0.419 4.283 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.870 -2.524 4.213 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.765 -2.038 5.256 1.00 0.25 C ATOM 1157 C LEU A 74 -9.020 -0.544 5.114 1.00 0.33 C ATOM 1158 O LEU A 74 -8.088 0.257 5.038 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.185 -2.314 6.638 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.149 -2.117 7.803 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.700 -3.460 8.243 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.465 -1.409 8.960 1.00 0.42 C ATOM 0 H LEU A 74 -6.930 -2.753 4.537 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.709 -2.571 5.144 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.819 -3.340 6.661 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.323 -1.664 6.788 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.975 -1.487 7.473 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.388 -3.316 9.076 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.229 -3.926 7.412 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -8.879 -4.104 8.558 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.174 -1.281 9.778 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.619 -2.005 9.303 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.110 -0.432 8.630 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.288 -0.191 5.062 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.703 1.197 5.077 1.00 0.26 C ATOM 1176 C ALA A 75 -10.869 1.684 6.503 1.00 0.31 C ATOM 1177 O ALA A 75 -10.932 0.890 7.442 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.993 1.373 4.291 1.00 0.29 C ATOM 0 H ALA A 75 -11.059 -0.857 5.008 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.929 1.798 4.600 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.292 2.421 4.312 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.835 1.061 3.259 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.778 0.763 4.739 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.943 2.995 6.629 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.049 3.692 7.902 1.00 0.30 C ATOM 1186 C LYS A 76 -11.996 3.017 8.895 1.00 0.33 C ATOM 1187 O LYS A 76 -11.663 2.847 10.068 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.552 5.096 7.608 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.428 6.047 8.767 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.897 7.440 8.384 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.397 7.481 8.104 1.00 0.53 C ATOM 1192 NZ LYS A 76 -14.203 7.304 9.339 1.00 1.23 N ATOM 0 H LYS A 76 -10.931 3.625 5.827 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.065 3.688 8.372 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.998 5.499 6.760 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.598 5.040 7.308 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -12.017 5.680 9.607 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.390 6.088 9.099 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.659 8.137 9.188 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.354 7.775 7.500 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.652 8.433 7.639 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.653 6.699 7.390 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -15.207 7.473 9.126 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -14.083 6.334 9.696 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.884 7.981 10.062 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.162 2.631 8.418 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.208 2.074 9.276 1.00 0.62 C ATOM 1208 C HIS A 77 -14.150 0.548 9.314 1.00 0.69 C ATOM 1209 O HIS A 77 -15.168 -0.120 9.485 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.595 2.571 8.829 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.700 2.886 7.365 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.199 2.012 6.430 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.358 4.004 6.679 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.158 2.579 5.239 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.652 3.784 5.362 1.00 0.69 N ATOM 0 H HIS A 77 -13.418 2.691 7.432 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.032 2.426 10.292 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.337 1.813 9.079 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.848 3.465 9.399 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.931 4.904 7.096 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.487 2.126 4.315 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.503 4.447 4.601 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.944 0.010 9.177 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.760 -1.431 9.174 1.00 0.72 C ATOM 1226 C GLY A 78 -13.311 -2.056 7.917 1.00 0.76 C ATOM 1227 O GLY A 78 -13.623 -3.248 7.876 1.00 1.31 O ATOM 0 H GLY A 78 -12.085 0.549 9.067 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.699 -1.663 9.262 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.254 -1.864 10.044 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.452 -1.229 6.897 1.00 0.37 N ATOM 1232 CA GLY A 79 -13.996 -1.678 5.641 1.00 0.37 C ATOM 1233 C GLY A 79 -12.943 -2.336 4.791 1.00 0.28 C ATOM 1234 O GLY A 79 -11.796 -2.465 5.213 1.00 0.29 O ATOM 0 H GLY A 79 -13.195 -0.242 6.920 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.809 -2.381 5.825 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.423 -0.831 5.104 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.318 -2.762 3.606 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.365 -3.349 2.686 1.00 0.21 C ATOM 1240 C TYR A 80 -12.614 -2.851 1.285 1.00 0.22 C ATOM 1241 O TYR A 80 -13.756 -2.716 0.861 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.429 -4.878 2.729 1.00 0.26 C ATOM 1243 CG TYR A 80 -11.967 -5.444 4.048 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.623 -5.473 4.381 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -12.882 -5.967 4.949 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.200 -6.007 5.580 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.471 -6.505 6.148 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.109 -6.445 6.488 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.706 -7.064 7.653 1.00 0.38 O ATOM 0 H TYR A 80 -14.275 -2.714 3.255 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.365 -3.044 2.994 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.453 -5.200 2.539 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.813 -5.286 1.928 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -9.895 -5.071 3.691 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -13.934 -5.952 4.706 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.144 -6.077 5.797 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.184 -6.965 6.816 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.493 -7.309 8.183 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.543 -2.533 0.592 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.619 -2.130 -0.798 1.00 0.28 C ATOM 1261 C VAL A 81 -10.581 -2.892 -1.604 1.00 0.26 C ATOM 1262 O VAL A 81 -9.518 -3.237 -1.083 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.418 -0.605 -0.968 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.726 0.136 -0.733 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.347 -0.088 -0.015 1.00 0.30 C ATOM 0 H VAL A 81 -10.597 -2.546 0.973 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.617 -2.367 -1.166 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.088 -0.422 -1.991 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.565 1.207 -0.857 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.471 -0.204 -1.452 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.080 -0.063 0.278 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.224 0.986 -0.154 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.647 -0.289 1.013 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.402 -0.591 -0.222 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.905 -3.204 -2.848 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.987 -3.943 -3.699 1.00 0.29 C ATOM 1277 C TRP A 82 -9.084 -3.014 -4.486 1.00 0.28 C ATOM 1278 O TRP A 82 -9.551 -2.160 -5.246 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.737 -4.865 -4.645 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.337 -6.045 -3.957 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.507 -6.082 -3.256 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.789 -7.364 -3.896 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.724 -7.347 -2.769 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.685 -8.151 -3.148 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.631 -7.962 -4.405 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.459 -9.497 -2.895 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.409 -9.301 -4.147 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.320 -10.054 -3.401 1.00 0.52 C ATOM 0 H TRP A 82 -11.791 -2.959 -3.289 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.363 -4.549 -3.043 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.526 -4.302 -5.143 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.055 -5.212 -5.421 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.166 -5.239 -3.106 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.529 -7.639 -2.215 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.925 -7.389 -4.988 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.159 -10.083 -2.318 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.516 -9.774 -4.528 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.118 -11.100 -3.221 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.790 -3.198 -4.299 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.795 -2.357 -4.934 1.00 0.28 C ATOM 1301 C LEU A 83 -5.700 -3.190 -5.561 1.00 0.29 C ATOM 1302 O LEU A 83 -5.223 -4.149 -4.970 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.164 -1.395 -3.917 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.096 -0.409 -3.213 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.647 -1.014 -1.938 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.354 0.882 -2.910 1.00 0.40 C ATOM 0 H LEU A 83 -7.402 -3.931 -3.706 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.303 -1.785 -5.711 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.665 -1.991 -3.153 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.391 -0.822 -4.429 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.933 -0.187 -3.875 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.308 -0.297 -1.451 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.206 -1.919 -2.177 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.824 -1.262 -1.268 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.026 1.579 -2.408 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.503 0.669 -2.263 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.000 1.325 -3.841 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.301 -2.808 -6.756 1.00 0.32 N ATOM 1319 CA GLU A 84 -4.207 -3.465 -7.432 1.00 0.34 C ATOM 1320 C GLU A 84 -2.978 -2.598 -7.271 1.00 0.35 C ATOM 1321 O GLU A 84 -3.064 -1.386 -7.411 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.541 -3.669 -8.908 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.995 -4.966 -9.464 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.436 -5.237 -10.883 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.833 -4.674 -11.817 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -5.372 -6.038 -11.074 1.00 1.23 O ATOM 0 H GLU A 84 -5.722 -2.041 -7.280 1.00 0.32 H new ATOM 0 HA GLU A 84 -4.027 -4.450 -7.000 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.623 -3.653 -9.036 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -4.139 -2.835 -9.484 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.906 -4.940 -9.428 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.315 -5.790 -8.827 1.00 0.59 H new ATOM 1333 N THR A 85 -1.845 -3.182 -6.949 1.00 0.36 N ATOM 1334 CA THR A 85 -0.678 -2.377 -6.654 1.00 0.37 C ATOM 1335 C THR A 85 0.555 -2.839 -7.407 1.00 0.32 C ATOM 1336 O THR A 85 0.921 -4.017 -7.386 1.00 0.43 O ATOM 1337 CB THR A 85 -0.392 -2.348 -5.138 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.484 -1.715 -4.463 1.00 0.68 O ATOM 1339 CG2 THR A 85 0.895 -1.598 -4.824 1.00 0.60 C ATOM 0 H THR A 85 -1.706 -4.190 -6.885 1.00 0.36 H new ATOM 0 HA THR A 85 -0.909 -1.367 -6.993 1.00 0.37 H new ATOM 0 HB THR A 85 -0.277 -3.376 -4.796 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.701 -2.217 -3.650 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.063 -1.599 -3.747 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.732 -2.087 -5.322 1.00 0.60 H new ATOM 0 HG23 THR A 85 0.813 -0.570 -5.178 1.00 0.60 H new ATOM 1347 N GLN A 86 1.175 -1.893 -8.090 1.00 0.29 N ATOM 1348 CA GLN A 86 2.479 -2.107 -8.678 1.00 0.35 C ATOM 1349 C GLN A 86 3.513 -1.695 -7.634 1.00 0.28 C ATOM 1350 O GLN A 86 3.483 -0.571 -7.121 1.00 0.30 O ATOM 1351 CB GLN A 86 2.608 -1.316 -10.002 1.00 0.50 C ATOM 1352 CG GLN A 86 3.534 -0.100 -9.956 1.00 0.70 C ATOM 1353 CD GLN A 86 5.002 -0.438 -10.184 1.00 1.06 C ATOM 1354 OE1 GLN A 86 5.454 -1.552 -9.915 1.00 1.95 O ATOM 1355 NE2 GLN A 86 5.765 0.531 -10.659 1.00 1.15 N ATOM 0 H GLN A 86 0.790 -0.962 -8.250 1.00 0.29 H new ATOM 0 HA GLN A 86 2.637 -3.152 -8.943 1.00 0.35 H new ATOM 0 HB2 GLN A 86 2.966 -1.994 -10.776 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.615 -0.983 -10.304 1.00 0.50 H new ATOM 0 HG2 GLN A 86 3.214 0.618 -10.711 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.429 0.389 -8.987 1.00 0.70 H new ATOM 0 HE21 GLN A 86 5.359 1.442 -10.871 1.00 1.15 H new ATOM 0 HE22 GLN A 86 6.760 0.368 -10.813 1.00 1.15 H new ATOM 1364 N GLY A 87 4.369 -2.627 -7.262 1.00 0.27 N ATOM 1365 CA GLY A 87 5.342 -2.355 -6.235 1.00 0.26 C ATOM 1366 C GLY A 87 6.750 -2.263 -6.774 1.00 0.24 C ATOM 1367 O GLY A 87 7.108 -2.927 -7.745 1.00 0.27 O ATOM 0 H GLY A 87 4.407 -3.568 -7.654 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.086 -1.420 -5.737 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.297 -3.141 -5.481 1.00 0.26 H new ATOM 1371 N THR A 88 7.542 -1.443 -6.125 1.00 0.23 N ATOM 1372 CA THR A 88 8.916 -1.189 -6.525 1.00 0.22 C ATOM 1373 C THR A 88 9.737 -0.785 -5.304 1.00 0.25 C ATOM 1374 O THR A 88 9.285 0.018 -4.494 1.00 0.36 O ATOM 1375 CB THR A 88 8.990 -0.069 -7.590 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.150 -0.391 -8.710 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.417 0.137 -8.077 1.00 0.24 C ATOM 0 H THR A 88 7.253 -0.925 -5.295 1.00 0.23 H new ATOM 0 HA THR A 88 9.320 -2.103 -6.960 1.00 0.22 H new ATOM 0 HB THR A 88 8.644 0.853 -7.123 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.204 0.326 -9.376 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.435 0.930 -8.824 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.052 0.416 -7.236 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.787 -0.788 -8.520 1.00 0.24 H new ATOM 1385 N VAL A 89 10.918 -1.356 -5.145 1.00 0.28 N ATOM 1386 CA VAL A 89 11.796 -0.953 -4.056 1.00 0.31 C ATOM 1387 C VAL A 89 12.830 0.039 -4.546 1.00 0.30 C ATOM 1388 O VAL A 89 13.630 -0.261 -5.435 1.00 0.34 O ATOM 1389 CB VAL A 89 12.511 -2.151 -3.393 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.556 -1.676 -2.399 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.513 -3.047 -2.696 1.00 0.56 C ATOM 0 H VAL A 89 11.290 -2.091 -5.747 1.00 0.28 H new ATOM 0 HA VAL A 89 11.160 -0.487 -3.303 1.00 0.31 H new ATOM 0 HB VAL A 89 13.009 -2.718 -4.179 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.045 -2.538 -1.946 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.298 -1.067 -2.915 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.075 -1.082 -1.622 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.036 -3.885 -2.235 1.00 0.56 H new ATOM 0 HG22 VAL A 89 10.989 -2.479 -1.927 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.793 -3.424 -3.422 1.00 0.56 H new ATOM 1401 N ILE A 90 12.793 1.225 -3.972 1.00 0.27 N ATOM 1402 CA ILE A 90 13.767 2.245 -4.282 1.00 0.30 C ATOM 1403 C ILE A 90 14.922 2.161 -3.286 1.00 0.34 C ATOM 1404 O ILE A 90 14.745 2.340 -2.081 1.00 0.41 O ATOM 1405 CB ILE A 90 13.122 3.654 -4.303 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.094 4.689 -4.856 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.637 4.074 -2.934 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.439 6.017 -5.144 1.00 0.78 C ATOM 0 H ILE A 90 12.093 1.504 -3.285 1.00 0.27 H new ATOM 0 HA ILE A 90 14.160 2.071 -5.284 1.00 0.30 H new ATOM 0 HB ILE A 90 12.255 3.597 -4.961 1.00 0.32 H new ATOM 0 HG12 ILE A 90 14.904 4.837 -4.142 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.543 4.305 -5.772 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.192 5.067 -2.995 1.00 0.73 H new ATOM 0 HG22 ILE A 90 11.891 3.363 -2.578 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.478 4.095 -2.241 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.182 6.712 -5.535 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.647 5.880 -5.880 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.014 6.420 -4.225 1.00 0.78 H new ATOM 1420 N TYR A 91 16.089 1.792 -3.782 1.00 0.36 N ATOM 1421 CA TYR A 91 17.249 1.621 -2.924 1.00 0.42 C ATOM 1422 C TYR A 91 18.105 2.870 -2.858 1.00 0.48 C ATOM 1423 O TYR A 91 18.073 3.720 -3.745 1.00 0.58 O ATOM 1424 CB TYR A 91 18.137 0.474 -3.377 1.00 0.51 C ATOM 1425 CG TYR A 91 17.437 -0.837 -3.621 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.862 -1.113 -4.852 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.315 -1.780 -2.611 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.192 -2.296 -5.075 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.643 -2.964 -2.823 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.210 -3.282 -4.083 1.00 0.79 C ATOM 1431 OH TYR A 91 15.405 -4.397 -4.265 1.00 1.06 O ATOM 0 H TYR A 91 16.259 1.605 -4.770 1.00 0.36 H new ATOM 0 HA TYR A 91 16.840 1.403 -1.938 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.643 0.771 -4.296 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.910 0.318 -2.624 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.941 -0.389 -5.649 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.753 -1.583 -1.644 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.661 -2.460 -6.001 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.459 -3.638 -2.000 1.00 0.76 H new ATOM 0 HH TYR A 91 15.416 -4.945 -3.452 1.00 1.06 H new ATOM 1441 N ASN A 92 18.854 2.966 -1.773 1.00 0.57 N ATOM 1442 CA ASN A 92 19.871 3.996 -1.608 1.00 0.71 C ATOM 1443 C ASN A 92 20.985 3.768 -2.629 1.00 0.69 C ATOM 1444 O ASN A 92 21.424 2.645 -2.807 1.00 0.63 O ATOM 1445 CB ASN A 92 20.440 3.907 -0.186 1.00 0.83 C ATOM 1446 CG ASN A 92 21.292 5.100 0.215 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.082 5.613 -0.571 1.00 1.77 O ATOM 1448 ND2 ASN A 92 21.142 5.545 1.451 1.00 1.50 N ATOM 0 H ASN A 92 18.776 2.331 -0.978 1.00 0.57 H new ATOM 0 HA ASN A 92 19.437 4.983 -1.765 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.615 3.810 0.519 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.040 3.001 -0.102 1.00 0.83 H new ATOM 0 HD21 ASN A 92 21.693 6.339 1.778 1.00 1.50 H new ATOM 0 HD22 ASN A 92 20.476 5.094 2.078 1.00 1.50 H new ATOM 1455 N PRO A 93 21.445 4.802 -3.331 1.00 0.84 N ATOM 1456 CA PRO A 93 22.545 4.649 -4.287 1.00 0.91 C ATOM 1457 C PRO A 93 23.921 4.556 -3.619 1.00 0.96 C ATOM 1458 O PRO A 93 24.851 3.968 -4.177 1.00 1.00 O ATOM 1459 CB PRO A 93 22.435 5.911 -5.136 1.00 1.13 C ATOM 1460 CG PRO A 93 21.835 6.929 -4.229 1.00 1.23 C ATOM 1461 CD PRO A 93 20.913 6.179 -3.306 1.00 1.00 C ATOM 0 HA PRO A 93 22.465 3.721 -4.853 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.412 6.231 -5.498 1.00 1.13 H new ATOM 0 HB3 PRO A 93 21.809 5.745 -6.013 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.608 7.452 -3.666 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.289 7.682 -4.797 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.927 6.596 -2.299 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.880 6.217 -3.653 1.00 1.00 H new ATOM 1469 N ARG A 94 24.054 5.148 -2.440 1.00 1.03 N ATOM 1470 CA ARG A 94 25.312 5.109 -1.700 1.00 1.13 C ATOM 1471 C ARG A 94 25.345 3.941 -0.720 1.00 1.04 C ATOM 1472 O ARG A 94 26.364 3.273 -0.564 1.00 1.16 O ATOM 1473 CB ARG A 94 25.533 6.424 -0.949 1.00 1.37 C ATOM 1474 CG ARG A 94 25.679 7.630 -1.859 1.00 1.93 C ATOM 1475 CD ARG A 94 26.833 7.452 -2.829 1.00 2.43 C ATOM 1476 NE ARG A 94 27.001 8.606 -3.706 1.00 3.09 N ATOM 1477 CZ ARG A 94 27.639 8.564 -4.875 1.00 3.87 C ATOM 1478 NH1 ARG A 94 28.122 7.412 -5.335 1.00 4.14 N ATOM 1479 NH2 ARG A 94 27.775 9.671 -5.593 1.00 4.77 N ATOM 0 H ARG A 94 23.307 5.662 -1.973 1.00 1.03 H new ATOM 0 HA ARG A 94 26.115 4.970 -2.424 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.695 6.590 -0.272 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.428 6.334 -0.333 1.00 1.37 H new ATOM 0 HG2 ARG A 94 24.754 7.783 -2.415 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.841 8.525 -1.258 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.753 7.287 -2.269 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.663 6.561 -3.433 1.00 2.43 H new ATOM 0 HE ARG A 94 26.607 9.498 -3.406 1.00 3.09 H new ATOM 0 HH11 ARG A 94 28.004 6.557 -4.792 1.00 4.14 H new ATOM 0 HH12 ARG A 94 28.610 7.385 -6.230 1.00 4.14 H new ATOM 0 HH21 ARG A 94 27.392 10.552 -5.250 1.00 4.77 H new ATOM 0 HH22 ARG A 94 28.263 9.642 -6.488 1.00 4.77 H new ATOM 1493 N ASN A 95 24.217 3.715 -0.060 1.00 0.99 N ATOM 1494 CA ASN A 95 24.128 2.719 1.017 1.00 1.00 C ATOM 1495 C ASN A 95 23.479 1.442 0.498 1.00 0.85 C ATOM 1496 O ASN A 95 23.706 0.352 1.020 1.00 0.92 O ATOM 1497 CB ASN A 95 23.321 3.303 2.191 1.00 1.15 C ATOM 1498 CG ASN A 95 23.392 2.493 3.481 1.00 1.58 C ATOM 1499 OD1 ASN A 95 23.548 1.275 3.475 1.00 2.23 O ATOM 1500 ND2 ASN A 95 23.246 3.175 4.606 1.00 1.99 N ATOM 0 H ASN A 95 23.343 4.207 -0.248 1.00 0.99 H new ATOM 0 HA ASN A 95 25.130 2.472 1.367 1.00 1.00 H new ATOM 0 HB2 ASN A 95 23.678 4.313 2.392 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.277 3.389 1.889 1.00 1.15 H new ATOM 0 HD21 ASN A 95 23.261 2.689 5.503 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.118 4.187 4.576 1.00 1.99 H new ATOM 1507 N LEU A 96 22.694 1.594 -0.560 1.00 0.72 N ATOM 1508 CA LEU A 96 21.985 0.478 -1.191 1.00 0.63 C ATOM 1509 C LEU A 96 21.002 -0.204 -0.255 1.00 0.64 C ATOM 1510 O LEU A 96 20.510 -1.295 -0.544 1.00 0.67 O ATOM 1511 CB LEU A 96 22.976 -0.535 -1.740 1.00 0.74 C ATOM 1512 CG LEU A 96 23.609 -0.194 -3.095 1.00 0.86 C ATOM 1513 CD1 LEU A 96 22.546 -0.130 -4.183 1.00 1.22 C ATOM 1514 CD2 LEU A 96 24.384 1.110 -3.027 1.00 1.76 C ATOM 0 H LEU A 96 22.528 2.495 -1.009 1.00 0.72 H new ATOM 0 HA LEU A 96 21.402 0.900 -2.009 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.776 -0.663 -1.010 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.470 -1.496 -1.830 1.00 0.74 H new ATOM 0 HG LEU A 96 24.312 -0.988 -3.345 1.00 0.86 H new ATOM 0 HD11 LEU A 96 23.015 0.113 -5.136 1.00 1.22 H new ATOM 0 HD12 LEU A 96 22.046 -1.095 -4.260 1.00 1.22 H new ATOM 0 HD13 LEU A 96 21.815 0.638 -3.932 1.00 1.22 H new ATOM 0 HD21 LEU A 96 24.821 1.325 -4.002 1.00 1.76 H new ATOM 0 HD22 LEU A 96 23.710 1.919 -2.745 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.178 1.023 -2.285 1.00 1.76 H new ATOM 1526 N GLN A 97 20.703 0.442 0.854 1.00 0.71 N ATOM 1527 CA GLN A 97 19.676 -0.034 1.752 1.00 0.76 C ATOM 1528 C GLN A 97 18.320 0.362 1.184 1.00 0.64 C ATOM 1529 O GLN A 97 18.251 1.271 0.351 1.00 0.61 O ATOM 1530 CB GLN A 97 19.886 0.575 3.142 1.00 0.94 C ATOM 1531 CG GLN A 97 19.853 2.095 3.145 1.00 1.21 C ATOM 1532 CD GLN A 97 18.519 2.654 3.593 1.00 2.02 C ATOM 1533 OE1 GLN A 97 17.855 2.088 4.461 1.00 2.29 O ATOM 1534 NE2 GLN A 97 18.104 3.751 2.980 1.00 2.81 N ATOM 0 H GLN A 97 21.161 1.303 1.154 1.00 0.71 H new ATOM 0 HA GLN A 97 19.723 -1.119 1.848 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.115 0.201 3.815 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.845 0.239 3.537 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.637 2.469 3.803 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.076 2.460 2.143 1.00 1.21 H new ATOM 0 HE21 GLN A 97 18.687 4.188 2.266 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.201 4.160 3.222 1.00 2.81 H new ATOM 1543 N PRO A 98 17.236 -0.314 1.582 1.00 0.62 N ATOM 1544 CA PRO A 98 15.885 0.079 1.183 1.00 0.55 C ATOM 1545 C PRO A 98 15.583 1.530 1.548 1.00 0.55 C ATOM 1546 O PRO A 98 15.237 1.832 2.691 1.00 0.62 O ATOM 1547 CB PRO A 98 14.984 -0.870 1.980 1.00 0.60 C ATOM 1548 CG PRO A 98 15.836 -2.059 2.246 1.00 0.62 C ATOM 1549 CD PRO A 98 17.232 -1.526 2.423 1.00 0.72 C ATOM 0 HA PRO A 98 15.741 0.014 0.105 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.645 -0.409 2.908 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.092 -1.140 1.414 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.503 -2.588 3.139 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.789 -2.768 1.419 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.446 -1.294 3.466 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.983 -2.246 2.097 1.00 0.72 H new ATOM 1557 N GLN A 99 15.732 2.426 0.575 1.00 0.51 N ATOM 1558 CA GLN A 99 15.457 3.834 0.791 1.00 0.54 C ATOM 1559 C GLN A 99 13.984 3.991 1.103 1.00 0.50 C ATOM 1560 O GLN A 99 13.605 4.616 2.098 1.00 0.57 O ATOM 1561 CB GLN A 99 15.846 4.653 -0.455 1.00 0.56 C ATOM 1562 CG GLN A 99 15.025 5.920 -0.659 1.00 0.72 C ATOM 1563 CD GLN A 99 15.410 7.058 0.267 1.00 0.97 C ATOM 1564 OE1 GLN A 99 14.919 7.157 1.389 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.258 7.948 -0.215 1.00 1.32 N ATOM 0 H GLN A 99 16.042 2.196 -0.369 1.00 0.51 H new ATOM 0 HA GLN A 99 16.048 4.207 1.627 1.00 0.54 H new ATOM 0 HB2 GLN A 99 16.899 4.925 -0.381 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.741 4.021 -1.337 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.137 6.251 -1.691 1.00 0.72 H new ATOM 0 HG3 GLN A 99 13.971 5.686 -0.512 1.00 0.72 H new ATOM 0 HE21 GLN A 99 16.644 7.830 -1.152 1.00 1.32 H new ATOM 0 HE22 GLN A 99 16.527 8.754 0.350 1.00 1.32 H new ATOM 1574 N CYS A 100 13.167 3.353 0.281 1.00 0.43 N ATOM 1575 CA CYS A 100 11.723 3.454 0.398 1.00 0.41 C ATOM 1576 C CYS A 100 11.047 2.367 -0.429 1.00 0.35 C ATOM 1577 O CYS A 100 11.692 1.632 -1.179 1.00 0.39 O ATOM 1578 CB CYS A 100 11.224 4.834 -0.066 1.00 0.45 C ATOM 1579 SG CYS A 100 11.401 6.163 1.150 1.00 0.64 S ATOM 0 H CYS A 100 13.484 2.754 -0.481 1.00 0.43 H new ATOM 0 HA CYS A 100 11.465 3.325 1.449 1.00 0.41 H new ATOM 0 HB2 CYS A 100 11.766 5.114 -0.969 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.172 4.750 -0.339 1.00 0.45 H new ATOM 0 HG CYS A 100 12.443 5.935 1.893 1.00 0.64 H new ATOM 1585 N ILE A 101 9.748 2.277 -0.268 1.00 0.29 N ATOM 1586 CA ILE A 101 8.918 1.402 -1.060 1.00 0.27 C ATOM 1587 C ILE A 101 7.987 2.260 -1.897 1.00 0.23 C ATOM 1588 O ILE A 101 7.322 3.149 -1.362 1.00 0.28 O ATOM 1589 CB ILE A 101 8.055 0.473 -0.182 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.882 -0.194 0.929 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.371 -0.576 -1.040 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.957 -1.142 0.443 1.00 0.73 C ATOM 0 H ILE A 101 9.231 2.817 0.426 1.00 0.29 H new ATOM 0 HA ILE A 101 9.569 0.782 -1.677 1.00 0.27 H new ATOM 0 HB ILE A 101 7.295 1.087 0.302 1.00 0.35 H new ATOM 0 HG12 ILE A 101 9.350 0.585 1.530 1.00 0.66 H new ATOM 0 HG13 ILE A 101 8.206 -0.741 1.586 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.765 -1.225 -0.407 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.732 -0.085 -1.774 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.124 -1.172 -1.555 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.486 -1.562 1.299 1.00 0.73 H new ATOM 0 HD12 ILE A 101 9.499 -1.947 -0.132 1.00 0.73 H new ATOM 0 HD13 ILE A 101 10.661 -0.600 -0.188 1.00 0.73 H new ATOM 1604 N MET A 102 7.931 1.999 -3.184 1.00 0.22 N ATOM 1605 CA MET A 102 7.100 2.775 -4.083 1.00 0.23 C ATOM 1606 C MET A 102 5.905 1.944 -4.509 1.00 0.22 C ATOM 1607 O MET A 102 6.049 0.973 -5.250 1.00 0.24 O ATOM 1608 CB MET A 102 7.899 3.215 -5.313 1.00 0.30 C ATOM 1609 CG MET A 102 9.003 4.213 -4.997 1.00 0.69 C ATOM 1610 SD MET A 102 9.931 4.715 -6.460 1.00 1.47 S ATOM 1611 CE MET A 102 8.619 5.402 -7.467 1.00 1.81 C ATOM 0 H MET A 102 8.455 1.250 -3.636 1.00 0.22 H new ATOM 0 HA MET A 102 6.755 3.668 -3.562 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.339 2.336 -5.784 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.217 3.658 -6.039 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.566 5.095 -4.529 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.687 3.773 -4.271 1.00 0.69 H new ATOM 0 HE1 MET A 102 9.044 6.088 -8.199 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.098 4.597 -7.984 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.916 5.940 -6.831 1.00 1.81 H new ATOM 1621 N CYS A 103 4.734 2.294 -4.008 1.00 0.25 N ATOM 1622 CA CYS A 103 3.531 1.552 -4.334 1.00 0.26 C ATOM 1623 C CYS A 103 2.567 2.409 -5.140 1.00 0.27 C ATOM 1624 O CYS A 103 2.152 3.481 -4.695 1.00 0.32 O ATOM 1625 CB CYS A 103 2.851 1.066 -3.054 1.00 0.31 C ATOM 1626 SG CYS A 103 3.883 -0.016 -2.038 1.00 0.39 S ATOM 0 H CYS A 103 4.591 3.083 -3.377 1.00 0.25 H new ATOM 0 HA CYS A 103 3.815 0.691 -4.939 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.556 1.931 -2.461 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.937 0.535 -3.320 1.00 0.31 H new ATOM 0 HG CYS A 103 3.216 -0.391 -0.987 1.00 0.39 H new ATOM 1632 N VAL A 104 2.233 1.947 -6.332 1.00 0.27 N ATOM 1633 CA VAL A 104 1.206 2.588 -7.127 1.00 0.28 C ATOM 1634 C VAL A 104 -0.080 1.792 -6.985 1.00 0.29 C ATOM 1635 O VAL A 104 -0.142 0.629 -7.384 1.00 0.29 O ATOM 1636 CB VAL A 104 1.601 2.680 -8.615 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.618 3.552 -9.376 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.018 3.212 -8.760 1.00 0.34 C ATOM 0 H VAL A 104 2.659 1.130 -6.769 1.00 0.27 H new ATOM 0 HA VAL A 104 1.073 3.607 -6.765 1.00 0.28 H new ATOM 0 HB VAL A 104 1.568 1.678 -9.042 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.914 3.605 -10.424 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.381 3.123 -9.302 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.615 4.555 -8.949 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.279 3.270 -9.817 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.081 4.205 -8.316 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.712 2.543 -8.251 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.096 2.411 -6.407 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.310 1.690 -6.052 1.00 0.30 C ATOM 1650 C ASN A 105 -3.453 2.072 -6.965 1.00 0.27 C ATOM 1651 O ASN A 105 -3.644 3.245 -7.281 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.706 1.961 -4.603 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.555 1.767 -3.643 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -0.874 2.851 -3.327 1.00 0.75 O flip ATOM 1655 ND2 ASN A 105 -1.282 0.657 -3.191 1.00 0.63 N flip ATOM 0 H ASN A 105 -1.106 3.404 -6.174 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.101 0.627 -6.169 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -3.079 2.981 -4.516 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.524 1.298 -4.323 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -1.836 -0.155 -3.463 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.501 0.548 -2.544 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.223 1.075 -7.355 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.339 1.261 -8.260 1.00 0.24 C ATOM 1664 C TYR A 106 -6.611 0.757 -7.594 1.00 0.25 C ATOM 1665 O TYR A 106 -6.836 -0.450 -7.504 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.102 0.501 -9.574 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.777 0.811 -10.242 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.631 0.095 -9.918 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.674 1.813 -11.197 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.420 0.370 -10.520 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.464 2.095 -11.806 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.341 1.370 -11.465 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.135 1.647 -12.070 1.00 0.48 O ATOM 0 H TYR A 106 -4.091 0.110 -7.052 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.438 2.322 -8.490 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.154 -0.570 -9.376 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.909 0.737 -10.267 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.689 -0.692 -9.181 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.551 2.381 -11.469 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.539 -0.195 -10.252 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.399 2.880 -12.545 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.251 2.378 -12.712 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.409 1.683 -7.090 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.682 1.342 -6.471 1.00 0.28 C ATOM 1685 C VAL A 107 -9.658 0.882 -7.545 1.00 0.33 C ATOM 1686 O VAL A 107 -9.994 1.642 -8.453 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.289 2.535 -5.704 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.586 2.139 -5.018 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.296 3.077 -4.693 1.00 0.62 C ATOM 0 H VAL A 107 -7.198 2.681 -7.097 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.500 0.542 -5.753 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.515 3.321 -6.425 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.993 2.998 -4.485 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.305 1.802 -5.765 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.392 1.332 -4.311 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.741 3.918 -4.161 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.037 2.293 -3.981 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.396 3.410 -5.210 1.00 0.62 H new ATOM 1699 N LEU A 108 -10.095 -0.360 -7.441 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.904 -0.971 -8.481 1.00 0.39 C ATOM 1701 C LEU A 108 -12.315 -1.241 -7.983 1.00 0.44 C ATOM 1702 O LEU A 108 -13.257 -0.531 -8.337 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.245 -2.271 -8.930 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.808 -2.113 -9.420 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.948 -3.246 -8.904 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.767 -2.060 -10.937 1.00 0.48 C ATOM 0 H LEU A 108 -9.903 -0.967 -6.644 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.973 -0.285 -9.325 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.257 -2.976 -8.099 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.842 -2.710 -9.729 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.411 -1.175 -9.033 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.926 -3.119 -9.262 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.954 -3.240 -7.814 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.343 -4.196 -9.264 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.735 -1.947 -11.269 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.181 -2.982 -11.345 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.356 -1.212 -11.287 1.00 0.48 H new ATOM 1718 N SER A 109 -12.451 -2.258 -7.144 1.00 0.44 N ATOM 1719 CA SER A 109 -13.743 -2.613 -6.591 1.00 0.54 C ATOM 1720 C SER A 109 -14.072 -1.678 -5.437 1.00 0.64 C ATOM 1721 O SER A 109 -13.180 -1.045 -4.865 1.00 0.93 O ATOM 1722 CB SER A 109 -13.743 -4.073 -6.128 1.00 0.64 C ATOM 1723 OG SER A 109 -15.056 -4.530 -5.847 1.00 1.46 O ATOM 0 H SER A 109 -11.680 -2.850 -6.833 1.00 0.44 H new ATOM 0 HA SER A 109 -14.508 -2.507 -7.361 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.296 -4.700 -6.899 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.123 -4.173 -5.237 1.00 0.64 H new ATOM 0 HG SER A 109 -15.022 -5.465 -5.556 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.345 -1.581 -5.115 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.807 -0.666 -4.088 1.00 0.74 C ATOM 1731 C GLU A 110 -15.734 -1.308 -2.710 1.00 0.59 C ATOM 1732 O GLU A 110 -14.918 -2.199 -2.470 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.226 -0.229 -4.410 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.339 0.412 -5.777 1.00 1.46 C ATOM 1735 CD GLU A 110 -18.756 0.452 -6.289 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.285 -0.605 -6.684 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -19.351 1.545 -6.295 1.00 2.94 O ATOM 0 H GLU A 110 -16.085 -2.129 -5.553 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.157 0.209 -4.072 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.889 -1.093 -4.362 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.566 0.477 -3.652 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -16.946 1.428 -5.730 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -16.718 -0.138 -6.484 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.584 -0.845 -1.807 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.563 -1.304 -0.428 1.00 0.59 C ATOM 1746 C ILE A 111 -17.018 -2.752 -0.320 1.00 0.58 C ATOM 1747 O ILE A 111 -18.154 -3.092 -0.649 1.00 0.68 O ATOM 1748 CB ILE A 111 -17.442 -0.417 0.476 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -17.039 1.054 0.325 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -17.318 -0.859 1.930 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -17.888 2.003 1.142 1.00 0.89 C ATOM 0 H ILE A 111 -17.301 -0.147 -2.007 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.530 -1.233 -0.087 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.483 -0.525 0.170 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.996 1.168 0.620 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -17.106 1.334 -0.726 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.944 -0.225 2.558 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.642 -1.895 2.024 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -16.279 -0.774 2.249 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -17.545 3.025 0.985 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.930 1.918 0.832 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -17.802 1.750 2.199 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.112 -3.590 0.143 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.382 -4.992 0.355 1.00 0.61 C ATOM 1765 C GLU A 112 -16.615 -5.213 1.842 1.00 0.64 C ATOM 1766 O GLU A 112 -15.705 -5.040 2.657 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.201 -5.827 -0.143 1.00 0.68 C ATOM 1768 CG GLU A 112 -15.585 -7.214 -0.623 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.170 -8.079 0.472 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.407 -8.520 1.355 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -17.392 -8.320 0.449 1.00 1.64 O ATOM 0 H GLU A 112 -15.161 -3.311 0.384 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.268 -5.300 -0.200 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -14.711 -5.294 -0.958 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.471 -5.921 0.661 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -16.309 -7.124 -1.433 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -14.704 -7.706 -1.035 1.00 1.14 H new