USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 18 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 65 TYR OH : rot -105:sc= 1 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.455 K(o=1.7,f=-7.7!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -153:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= 1.07 K(o=2.3,f=-7.8!) USER MOD Set 3.2: A 43 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.175 USER MOD Single : A 6 TYR OH : rot -30:sc= 0.461 USER MOD Single : A 7 SER OG : rot -140:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0.655 (180deg=-0.974) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 152:sc=-0.00116 (180deg=-0.0146) USER MOD Single : A 15 CYS SG : rot 57:sc= -0.0273 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.254 X(o=0.25,f=-0.23) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.929 F(o=-1.9,f=-0.93) USER MOD Single : A 34 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.016) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 55 GLN : amide:sc=-0.00645 K(o=-0.0065,f=-2.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.128 K(o=-0.13,f=-3.6!) USER MOD Single : A 66 SER OG : rot 27:sc= 0.217 USER MOD Single : A 71 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -4.978 3.705 -12.600 1.00 0.63 N ATOM 20 CA THR A 4 -5.410 2.366 -12.256 1.00 0.55 C ATOM 21 C THR A 4 -5.308 2.167 -10.762 1.00 0.56 C ATOM 22 O THR A 4 -4.479 2.780 -10.085 1.00 0.56 O ATOM 23 CB THR A 4 -4.633 1.332 -13.072 1.00 0.59 C ATOM 24 OG1 THR A 4 -4.946 1.610 -14.405 1.00 1.07 O ATOM 25 CG2 THR A 4 -5.060 -0.115 -12.813 1.00 0.88 C ATOM 0 HA THR A 4 -6.459 2.226 -12.518 1.00 0.55 H new ATOM 0 HB THR A 4 -3.578 1.405 -12.810 1.00 0.59 H new ATOM 0 HG1 THR A 4 -5.081 2.574 -14.515 1.00 1.07 H new ATOM 0 HG21 THR A 4 -4.462 -0.787 -13.429 1.00 0.88 H new ATOM 0 HG22 THR A 4 -4.908 -0.356 -11.761 1.00 0.88 H new ATOM 0 HG23 THR A 4 -6.114 -0.234 -13.064 1.00 0.88 H new ATOM 33 N ARG A 5 -6.232 1.336 -10.291 1.00 0.54 N ATOM 34 CA ARG A 5 -6.491 1.092 -8.904 1.00 0.44 C ATOM 35 C ARG A 5 -5.972 -0.290 -8.569 1.00 0.42 C ATOM 36 O ARG A 5 -6.365 -1.269 -9.192 1.00 0.62 O ATOM 37 CB ARG A 5 -7.994 1.189 -8.665 1.00 0.55 C ATOM 38 CG ARG A 5 -8.242 1.266 -7.160 1.00 0.58 C ATOM 39 CD ARG A 5 -9.538 2.014 -6.893 1.00 1.31 C ATOM 40 NE ARG A 5 -10.726 1.211 -7.217 1.00 1.80 N ATOM 41 CZ ARG A 5 -11.980 1.676 -7.115 1.00 2.35 C ATOM 42 NH1 ARG A 5 -12.175 2.962 -6.796 1.00 2.94 N ATOM 43 NH2 ARG A 5 -13.023 0.863 -7.318 1.00 3.73 N ATOM 0 H ARG A 5 -6.841 0.797 -10.906 1.00 0.54 H new ATOM 0 HA ARG A 5 -5.993 1.824 -8.268 1.00 0.44 H new ATOM 0 HB2 ARG A 5 -8.400 2.070 -9.161 1.00 0.55 H new ATOM 0 HB3 ARG A 5 -8.502 0.322 -9.089 1.00 0.55 H new ATOM 0 HG2 ARG A 5 -8.297 0.262 -6.739 1.00 0.58 H new ATOM 0 HG3 ARG A 5 -7.411 1.773 -6.670 1.00 0.58 H new ATOM 0 HD2 ARG A 5 -9.576 2.307 -5.844 1.00 1.31 H new ATOM 0 HD3 ARG A 5 -9.552 2.932 -7.481 1.00 1.31 H new ATOM 0 HE ARG A 5 -10.590 0.252 -7.536 1.00 1.80 H new ATOM 0 HH11 ARG A 5 -11.375 3.574 -6.634 1.00 2.94 H new ATOM 0 HH12 ARG A 5 -13.123 3.329 -6.715 1.00 2.94 H new ATOM 0 HH21 ARG A 5 -12.867 -0.118 -7.552 1.00 3.73 H new ATOM 0 HH22 ARG A 5 -13.974 1.224 -7.239 1.00 3.73 H new ATOM 57 N TYR A 6 -5.052 -0.328 -7.622 1.00 0.32 N ATOM 58 CA TYR A 6 -4.401 -1.530 -7.117 1.00 0.31 C ATOM 59 C TYR A 6 -4.759 -1.821 -5.668 1.00 0.32 C ATOM 60 O TYR A 6 -4.514 -0.948 -4.846 1.00 0.47 O ATOM 61 CB TYR A 6 -2.906 -1.362 -7.320 1.00 0.30 C ATOM 62 CG TYR A 6 -2.574 -0.911 -8.713 1.00 0.34 C ATOM 63 CD1 TYR A 6 -2.896 -1.773 -9.771 1.00 1.78 C ATOM 64 CD2 TYR A 6 -2.215 0.422 -8.981 1.00 1.59 C ATOM 65 CE1 TYR A 6 -2.560 -1.417 -11.077 1.00 1.86 C ATOM 66 CE2 TYR A 6 -2.045 0.829 -10.312 1.00 1.60 C ATOM 67 CZ TYR A 6 -2.064 -0.136 -11.335 1.00 0.64 C ATOM 68 OH TYR A 6 -1.637 0.157 -12.589 1.00 0.87 O ATOM 0 H TYR A 6 -4.720 0.519 -7.160 1.00 0.32 H new ATOM 0 HA TYR A 6 -4.755 -2.400 -7.670 1.00 0.31 H new ATOM 0 HB2 TYR A 6 -2.522 -0.636 -6.603 1.00 0.30 H new ATOM 0 HB3 TYR A 6 -2.404 -2.308 -7.116 1.00 0.30 H new ATOM 0 HD1 TYR A 6 -3.401 -2.707 -9.576 1.00 1.78 H new ATOM 0 HD2 TYR A 6 -2.072 1.123 -8.172 1.00 1.59 H new ATOM 0 HE1 TYR A 6 -2.682 -2.126 -11.883 1.00 1.86 H new ATOM 0 HE2 TYR A 6 -1.901 1.873 -10.549 1.00 1.60 H new ATOM 0 HH TYR A 6 -1.294 -0.656 -13.016 1.00 0.87 H new ATOM 78 N SER A 7 -5.304 -3.013 -5.358 1.00 0.29 N ATOM 79 CA SER A 7 -5.652 -3.465 -4.005 1.00 0.32 C ATOM 80 C SER A 7 -4.585 -4.419 -3.438 1.00 0.32 C ATOM 81 O SER A 7 -3.923 -5.129 -4.198 1.00 0.35 O ATOM 82 CB SER A 7 -7.058 -4.099 -4.007 1.00 0.39 C ATOM 83 OG SER A 7 -7.354 -4.763 -2.790 1.00 2.14 O ATOM 0 H SER A 7 -5.520 -3.710 -6.071 1.00 0.29 H new ATOM 0 HA SER A 7 -5.674 -2.600 -3.342 1.00 0.32 H new ATOM 0 HB2 SER A 7 -7.803 -3.323 -4.185 1.00 0.39 H new ATOM 0 HB3 SER A 7 -7.133 -4.808 -4.832 1.00 0.39 H new ATOM 0 HG SER A 7 -7.834 -5.596 -2.980 1.00 2.14 H new ATOM 89 N TRP A 8 -4.406 -4.425 -2.108 1.00 0.31 N ATOM 90 CA TRP A 8 -3.648 -5.424 -1.353 1.00 0.37 C ATOM 91 C TRP A 8 -4.370 -5.724 -0.030 1.00 0.41 C ATOM 92 O TRP A 8 -5.096 -4.869 0.484 1.00 0.47 O ATOM 93 CB TRP A 8 -2.231 -4.956 -1.027 1.00 0.35 C ATOM 94 CG TRP A 8 -1.314 -4.462 -2.101 1.00 0.34 C ATOM 95 CD1 TRP A 8 -0.205 -5.062 -2.554 1.00 0.47 C ATOM 96 CD2 TRP A 8 -1.340 -3.231 -2.855 1.00 0.37 C ATOM 97 NE1 TRP A 8 0.581 -4.083 -3.164 1.00 0.80 N ATOM 98 CE2 TRP A 8 0.000 -2.819 -3.050 1.00 0.82 C ATOM 99 CE3 TRP A 8 -2.095 -2.827 -3.970 1.00 0.72 C ATOM 100 CZ2 TRP A 8 0.155 -1.619 -3.790 1.00 1.05 C ATOM 101 CZ3 TRP A 8 -1.350 -2.638 -5.183 1.00 0.76 C ATOM 102 CH2 TRP A 8 -0.316 -1.719 -5.084 1.00 0.46 C ATOM 0 H TRP A 8 -4.804 -3.702 -1.508 1.00 0.31 H new ATOM 0 HA TRP A 8 -3.581 -6.314 -1.979 1.00 0.37 H new ATOM 0 HB2 TRP A 8 -2.321 -4.156 -0.292 1.00 0.35 H new ATOM 0 HB3 TRP A 8 -1.726 -5.787 -0.534 1.00 0.35 H new ATOM 0 HD1 TRP A 8 0.036 -6.111 -2.464 1.00 0.47 H new ATOM 0 HE1 TRP A 8 1.467 -4.268 -3.633 1.00 0.80 H new ATOM 0 HE3 TRP A 8 -3.162 -2.670 -3.918 1.00 0.72 H new ATOM 0 HZ2 TRP A 8 0.596 -0.721 -3.384 1.00 1.05 H new ATOM 0 HZ3 TRP A 8 -1.576 -3.168 -6.097 1.00 0.76 H new ATOM 0 HH2 TRP A 8 0.073 -1.151 -5.917 1.00 0.46 H new ATOM 113 N LYS A 9 -4.100 -6.906 0.546 1.00 0.46 N ATOM 114 CA LYS A 9 -4.597 -7.358 1.841 1.00 0.51 C ATOM 115 C LYS A 9 -3.421 -7.348 2.818 1.00 0.59 C ATOM 116 O LYS A 9 -2.521 -8.171 2.682 1.00 0.76 O ATOM 117 CB LYS A 9 -5.202 -8.769 1.712 1.00 0.63 C ATOM 118 CG LYS A 9 -4.312 -9.805 0.990 1.00 1.75 C ATOM 119 CD LYS A 9 -4.798 -10.101 -0.430 1.00 1.23 C ATOM 120 CE LYS A 9 -5.971 -11.090 -0.400 1.00 1.18 C ATOM 121 NZ LYS A 9 -6.439 -11.423 -1.758 1.00 1.95 N ATOM 0 H LYS A 9 -3.502 -7.599 0.096 1.00 0.46 H new ATOM 0 HA LYS A 9 -5.385 -6.699 2.206 1.00 0.51 H new ATOM 0 HB2 LYS A 9 -5.428 -9.142 2.711 1.00 0.63 H new ATOM 0 HB3 LYS A 9 -6.149 -8.693 1.178 1.00 0.63 H new ATOM 0 HG2 LYS A 9 -3.287 -9.436 0.951 1.00 1.75 H new ATOM 0 HG3 LYS A 9 -4.295 -10.730 1.566 1.00 1.75 H new ATOM 0 HD2 LYS A 9 -5.107 -9.175 -0.915 1.00 1.23 H new ATOM 0 HD3 LYS A 9 -3.981 -10.514 -1.022 1.00 1.23 H new ATOM 0 HE2 LYS A 9 -5.665 -12.002 0.113 1.00 1.18 H new ATOM 0 HE3 LYS A 9 -6.793 -10.662 0.173 1.00 1.18 H new ATOM 0 HZ1 LYS A 9 -6.871 -12.369 -1.754 1.00 1.95 H new ATOM 0 HZ2 LYS A 9 -7.144 -10.722 -2.064 1.00 1.95 H new ATOM 0 HZ3 LYS A 9 -5.633 -11.413 -2.415 1.00 1.95 H new ATOM 135 N VAL A 10 -3.372 -6.413 3.765 1.00 0.57 N ATOM 136 CA VAL A 10 -2.183 -6.223 4.578 1.00 0.61 C ATOM 137 C VAL A 10 -2.387 -6.889 5.931 1.00 0.69 C ATOM 138 O VAL A 10 -3.310 -6.534 6.650 1.00 1.43 O ATOM 139 CB VAL A 10 -1.892 -4.729 4.732 1.00 0.64 C ATOM 140 CG1 VAL A 10 -0.455 -4.562 5.215 1.00 0.74 C ATOM 141 CG2 VAL A 10 -2.041 -3.989 3.403 1.00 0.56 C ATOM 0 H VAL A 10 -4.141 -5.780 3.984 1.00 0.57 H new ATOM 0 HA VAL A 10 -1.323 -6.684 4.092 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.605 -4.312 5.444 1.00 0.64 H new ATOM 0 HG11 VAL A 10 -0.231 -3.502 5.330 1.00 0.74 H new ATOM 0 HG12 VAL A 10 -0.333 -5.065 6.174 1.00 0.74 H new ATOM 0 HG13 VAL A 10 0.227 -5.000 4.486 1.00 0.74 H new ATOM 0 HG21 VAL A 10 -1.827 -2.930 3.550 1.00 0.56 H new ATOM 0 HG22 VAL A 10 -1.342 -4.403 2.676 1.00 0.56 H new ATOM 0 HG23 VAL A 10 -3.060 -4.105 3.034 1.00 0.56 H new ATOM 151 N SER A 11 -1.527 -7.838 6.299 1.00 0.28 N ATOM 152 CA SER A 11 -1.634 -8.532 7.572 1.00 0.36 C ATOM 153 C SER A 11 -0.504 -8.009 8.449 1.00 0.42 C ATOM 154 O SER A 11 0.648 -8.394 8.266 1.00 0.58 O ATOM 155 CB SER A 11 -1.600 -10.054 7.361 1.00 0.49 C ATOM 156 OG SER A 11 -2.307 -10.712 8.394 1.00 0.92 O ATOM 0 H SER A 11 -0.742 -8.143 5.723 1.00 0.28 H new ATOM 0 HA SER A 11 -2.585 -8.340 8.068 1.00 0.36 H new ATOM 0 HB2 SER A 11 -2.040 -10.303 6.395 1.00 0.49 H new ATOM 0 HB3 SER A 11 -0.567 -10.401 7.340 1.00 0.49 H new ATOM 0 HG SER A 11 -2.278 -11.680 8.245 1.00 0.92 H new ATOM 162 N GLY A 12 -0.827 -7.074 9.346 1.00 0.44 N ATOM 163 CA GLY A 12 0.127 -6.525 10.297 1.00 0.55 C ATOM 164 C GLY A 12 -0.218 -5.088 10.662 1.00 0.57 C ATOM 165 O GLY A 12 -0.065 -4.687 11.813 1.00 0.73 O ATOM 0 H GLY A 12 -1.764 -6.678 9.429 1.00 0.44 H new ATOM 0 HA2 GLY A 12 0.139 -7.138 11.198 1.00 0.55 H new ATOM 0 HA3 GLY A 12 1.130 -6.563 9.872 1.00 0.55 H new ATOM 169 N MET A 13 -0.668 -4.297 9.681 1.00 0.53 N ATOM 170 CA MET A 13 -0.994 -2.900 9.953 1.00 0.57 C ATOM 171 C MET A 13 -2.255 -2.797 10.824 1.00 0.72 C ATOM 172 O MET A 13 -3.350 -3.070 10.353 1.00 1.28 O ATOM 173 CB MET A 13 -1.043 -2.078 8.649 1.00 0.60 C ATOM 174 CG MET A 13 -2.315 -2.227 7.802 1.00 1.26 C ATOM 175 SD MET A 13 -2.271 -1.342 6.224 1.00 1.63 S ATOM 176 CE MET A 13 -3.972 -1.576 5.665 1.00 1.94 C ATOM 0 H MET A 13 -0.811 -4.594 8.716 1.00 0.53 H new ATOM 0 HA MET A 13 -0.196 -2.448 10.542 1.00 0.57 H new ATOM 0 HB2 MET A 13 -0.922 -1.025 8.903 1.00 0.60 H new ATOM 0 HB3 MET A 13 -0.187 -2.358 8.035 1.00 0.60 H new ATOM 0 HG2 MET A 13 -2.484 -3.286 7.606 1.00 1.26 H new ATOM 0 HG3 MET A 13 -3.166 -1.870 8.381 1.00 1.26 H new ATOM 0 HE1 MET A 13 -4.262 -0.743 5.025 1.00 1.94 H new ATOM 0 HE2 MET A 13 -4.046 -2.508 5.104 1.00 1.94 H new ATOM 0 HE3 MET A 13 -4.636 -1.619 6.528 1.00 1.94 H new ATOM 186 N ASP A 14 -2.094 -2.370 12.081 1.00 0.64 N ATOM 187 CA ASP A 14 -3.186 -1.950 12.955 1.00 0.76 C ATOM 188 C ASP A 14 -2.607 -1.070 14.065 1.00 0.77 C ATOM 189 O ASP A 14 -2.158 -1.572 15.093 1.00 1.25 O ATOM 190 CB ASP A 14 -3.936 -3.152 13.543 1.00 1.09 C ATOM 191 CG ASP A 14 -5.027 -2.699 14.510 1.00 1.92 C ATOM 192 OD1 ASP A 14 -5.453 -1.528 14.386 1.00 2.70 O ATOM 193 OD2 ASP A 14 -5.412 -3.527 15.361 1.00 2.83 O ATOM 0 H ASP A 14 -1.178 -2.307 12.526 1.00 0.64 H new ATOM 0 HA ASP A 14 -3.913 -1.384 12.373 1.00 0.76 H new ATOM 0 HB2 ASP A 14 -4.380 -3.737 12.738 1.00 1.09 H new ATOM 0 HB3 ASP A 14 -3.234 -3.805 14.062 1.00 1.09 H new ATOM 198 N CYS A 15 -2.551 0.244 13.831 1.00 0.59 N ATOM 199 CA CYS A 15 -2.247 1.238 14.860 1.00 0.64 C ATOM 200 C CYS A 15 -2.568 2.645 14.344 1.00 0.89 C ATOM 201 O CYS A 15 -3.678 3.137 14.510 1.00 2.28 O ATOM 202 CB CYS A 15 -0.793 1.107 15.370 1.00 0.66 C ATOM 203 SG CYS A 15 -0.758 0.411 17.040 1.00 1.20 S ATOM 0 H CYS A 15 -2.718 0.651 12.910 1.00 0.59 H new ATOM 0 HA CYS A 15 -2.884 1.051 15.725 1.00 0.64 H new ATOM 0 HB2 CYS A 15 -0.222 0.471 14.694 1.00 0.66 H new ATOM 0 HB3 CYS A 15 -0.313 2.086 15.369 1.00 0.66 H new ATOM 0 HG CYS A 15 -1.367 -0.738 17.044 1.00 1.20 H new ATOM 209 N ALA A 16 -1.590 3.293 13.702 1.00 0.79 N ATOM 210 CA ALA A 16 -1.669 4.652 13.167 1.00 0.83 C ATOM 211 C ALA A 16 -0.356 4.930 12.445 1.00 1.11 C ATOM 212 O ALA A 16 -0.316 5.124 11.230 1.00 2.26 O ATOM 213 CB ALA A 16 -1.902 5.675 14.287 1.00 1.07 C ATOM 0 H ALA A 16 -0.681 2.862 13.535 1.00 0.79 H new ATOM 0 HA ALA A 16 -2.511 4.740 12.481 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -1.956 6.676 13.860 1.00 1.07 H new ATOM 0 HB2 ALA A 16 -2.837 5.448 14.799 1.00 1.07 H new ATOM 0 HB3 ALA A 16 -1.078 5.629 14.999 1.00 1.07 H new ATOM 219 N ALA A 17 0.741 4.851 13.200 1.00 0.61 N ATOM 220 CA ALA A 17 2.087 4.925 12.659 1.00 0.65 C ATOM 221 C ALA A 17 2.274 3.934 11.510 1.00 0.53 C ATOM 222 O ALA A 17 2.972 4.241 10.550 1.00 0.64 O ATOM 223 CB ALA A 17 3.106 4.660 13.770 1.00 0.88 C ATOM 0 H ALA A 17 0.713 4.733 14.213 1.00 0.61 H new ATOM 0 HA ALA A 17 2.246 5.927 12.261 1.00 0.65 H new ATOM 0 HB1 ALA A 17 4.114 4.716 13.360 1.00 0.88 H new ATOM 0 HB2 ALA A 17 2.991 5.408 14.555 1.00 0.88 H new ATOM 0 HB3 ALA A 17 2.939 3.667 14.187 1.00 0.88 H new ATOM 229 N CYS A 18 1.644 2.755 11.585 1.00 0.44 N ATOM 230 CA CYS A 18 1.805 1.724 10.577 1.00 0.47 C ATOM 231 C CYS A 18 1.101 2.162 9.304 1.00 0.39 C ATOM 232 O CYS A 18 1.640 1.996 8.208 1.00 0.40 O ATOM 233 CB CYS A 18 1.253 0.382 11.069 1.00 0.62 C ATOM 234 SG CYS A 18 2.463 -0.427 12.143 1.00 1.73 S ATOM 0 H CYS A 18 1.014 2.499 12.345 1.00 0.44 H new ATOM 0 HA CYS A 18 2.867 1.584 10.375 1.00 0.47 H new ATOM 0 HB2 CYS A 18 0.321 0.540 11.611 1.00 0.62 H new ATOM 0 HB3 CYS A 18 1.023 -0.260 10.219 1.00 0.62 H new ATOM 0 HG CYS A 18 1.985 -1.563 12.557 1.00 1.73 H new ATOM 240 N ALA A 19 -0.089 2.756 9.450 1.00 0.42 N ATOM 241 CA ALA A 19 -0.809 3.283 8.310 1.00 0.48 C ATOM 242 C ALA A 19 0.035 4.351 7.630 1.00 0.42 C ATOM 243 O ALA A 19 0.194 4.330 6.411 1.00 0.49 O ATOM 244 CB ALA A 19 -2.191 3.821 8.688 1.00 0.64 C ATOM 0 H ALA A 19 -0.562 2.878 10.345 1.00 0.42 H new ATOM 0 HA ALA A 19 -0.986 2.464 7.612 1.00 0.48 H new ATOM 0 HB1 ALA A 19 -2.688 4.204 7.797 1.00 0.64 H new ATOM 0 HB2 ALA A 19 -2.788 3.018 9.120 1.00 0.64 H new ATOM 0 HB3 ALA A 19 -2.082 4.624 9.416 1.00 0.64 H new ATOM 250 N ARG A 20 0.628 5.258 8.412 1.00 0.35 N ATOM 251 CA ARG A 20 1.510 6.230 7.828 1.00 0.35 C ATOM 252 C ARG A 20 2.669 5.535 7.128 1.00 0.30 C ATOM 253 O ARG A 20 2.908 5.785 5.959 1.00 0.32 O ATOM 254 CB ARG A 20 1.996 7.289 8.790 1.00 0.42 C ATOM 255 CG ARG A 20 0.823 8.031 9.441 1.00 0.55 C ATOM 256 CD ARG A 20 1.306 8.869 10.625 1.00 0.77 C ATOM 257 NE ARG A 20 0.156 9.522 11.273 1.00 1.12 N ATOM 258 CZ ARG A 20 0.144 10.045 12.509 1.00 1.83 C ATOM 259 NH1 ARG A 20 1.267 10.069 13.234 1.00 2.84 N ATOM 260 NH2 ARG A 20 -0.993 10.537 13.015 1.00 2.32 N ATOM 0 H ARG A 20 0.508 5.327 9.423 1.00 0.35 H new ATOM 0 HA ARG A 20 0.918 6.775 7.093 1.00 0.35 H new ATOM 0 HB2 ARG A 20 2.611 6.827 9.563 1.00 0.42 H new ATOM 0 HB3 ARG A 20 2.630 8.000 8.261 1.00 0.42 H new ATOM 0 HG2 ARG A 20 0.340 8.675 8.706 1.00 0.55 H new ATOM 0 HG3 ARG A 20 0.074 7.314 9.778 1.00 0.55 H new ATOM 0 HD2 ARG A 20 1.828 8.236 11.342 1.00 0.77 H new ATOM 0 HD3 ARG A 20 2.019 9.620 10.285 1.00 0.77 H new ATOM 0 HE ARG A 20 -0.708 9.582 10.735 1.00 1.12 H new ATOM 0 HH11 ARG A 20 2.132 9.690 12.848 1.00 2.84 H new ATOM 0 HH12 ARG A 20 1.259 10.466 14.173 1.00 2.84 H new ATOM 0 HH21 ARG A 20 -1.849 10.514 12.461 1.00 2.32 H new ATOM 0 HH22 ARG A 20 -1.003 10.935 13.954 1.00 2.32 H new ATOM 274 N LYS A 21 3.397 4.657 7.809 1.00 0.27 N ATOM 275 CA LYS A 21 4.495 3.931 7.199 1.00 0.29 C ATOM 276 C LYS A 21 4.084 3.337 5.846 1.00 0.29 C ATOM 277 O LYS A 21 4.824 3.491 4.880 1.00 0.33 O ATOM 278 CB LYS A 21 4.985 2.869 8.180 1.00 0.33 C ATOM 279 CG LYS A 21 5.774 3.460 9.360 1.00 0.97 C ATOM 280 CD LYS A 21 7.188 3.952 9.019 1.00 1.28 C ATOM 281 CE LYS A 21 8.047 2.820 8.425 1.00 2.45 C ATOM 282 NZ LYS A 21 9.494 3.108 8.499 1.00 3.67 N ATOM 0 H LYS A 21 3.241 4.432 8.792 1.00 0.27 H new ATOM 0 HA LYS A 21 5.319 4.613 6.987 1.00 0.29 H new ATOM 0 HB2 LYS A 21 4.129 2.314 8.564 1.00 0.33 H new ATOM 0 HB3 LYS A 21 5.615 2.155 7.650 1.00 0.33 H new ATOM 0 HG2 LYS A 21 5.207 4.293 9.775 1.00 0.97 H new ATOM 0 HG3 LYS A 21 5.848 2.704 10.142 1.00 0.97 H new ATOM 0 HD2 LYS A 21 7.127 4.776 8.308 1.00 1.28 H new ATOM 0 HD3 LYS A 21 7.666 4.341 9.918 1.00 1.28 H new ATOM 0 HE2 LYS A 21 7.837 1.892 8.957 1.00 2.45 H new ATOM 0 HE3 LYS A 21 7.764 2.662 7.384 1.00 2.45 H new ATOM 0 HZ1 LYS A 21 10.027 2.316 8.087 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 9.702 3.979 7.970 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 9.773 3.232 9.493 1.00 3.67 H new ATOM 296 N VAL A 22 2.898 2.728 5.742 1.00 0.33 N ATOM 297 CA VAL A 22 2.371 2.271 4.469 1.00 0.41 C ATOM 298 C VAL A 22 2.224 3.420 3.473 1.00 0.38 C ATOM 299 O VAL A 22 2.806 3.373 2.392 1.00 0.45 O ATOM 300 CB VAL A 22 1.014 1.595 4.683 1.00 0.51 C ATOM 301 CG1 VAL A 22 0.348 1.307 3.343 1.00 0.63 C ATOM 302 CG2 VAL A 22 1.183 0.247 5.385 1.00 0.61 C ATOM 0 H VAL A 22 2.286 2.543 6.537 1.00 0.33 H new ATOM 0 HA VAL A 22 3.080 1.556 4.052 1.00 0.41 H new ATOM 0 HB VAL A 22 0.411 2.273 5.287 1.00 0.51 H new ATOM 0 HG11 VAL A 22 -0.616 0.826 3.512 1.00 0.63 H new ATOM 0 HG12 VAL A 22 0.198 2.242 2.803 1.00 0.63 H new ATOM 0 HG13 VAL A 22 0.985 0.646 2.755 1.00 0.63 H new ATOM 0 HG21 VAL A 22 0.206 -0.215 5.526 1.00 0.61 H new ATOM 0 HG22 VAL A 22 1.808 -0.405 4.775 1.00 0.61 H new ATOM 0 HG23 VAL A 22 1.656 0.399 6.355 1.00 0.61 H new ATOM 312 N GLU A 23 1.414 4.436 3.780 1.00 0.32 N ATOM 313 CA GLU A 23 1.097 5.428 2.763 1.00 0.33 C ATOM 314 C GLU A 23 2.387 6.130 2.358 1.00 0.27 C ATOM 315 O GLU A 23 2.583 6.431 1.197 1.00 0.33 O ATOM 316 CB GLU A 23 0.010 6.411 3.213 1.00 0.38 C ATOM 317 CG GLU A 23 0.498 7.231 4.400 1.00 0.38 C ATOM 318 CD GLU A 23 -0.443 8.354 4.784 1.00 0.55 C ATOM 319 OE1 GLU A 23 -0.539 9.281 3.949 1.00 1.67 O ATOM 320 OE2 GLU A 23 -0.957 8.320 5.920 1.00 1.73 O ATOM 0 H GLU A 23 0.982 4.588 4.691 1.00 0.32 H new ATOM 0 HA GLU A 23 0.672 4.925 1.894 1.00 0.33 H new ATOM 0 HB2 GLU A 23 -0.255 7.073 2.389 1.00 0.38 H new ATOM 0 HB3 GLU A 23 -0.893 5.865 3.486 1.00 0.38 H new ATOM 0 HG2 GLU A 23 0.633 6.571 5.257 1.00 0.38 H new ATOM 0 HG3 GLU A 23 1.476 7.651 4.164 1.00 0.38 H new ATOM 327 N ASN A 24 3.300 6.355 3.297 1.00 0.27 N ATOM 328 CA ASN A 24 4.585 6.984 3.063 1.00 0.28 C ATOM 329 C ASN A 24 5.498 6.049 2.256 1.00 0.33 C ATOM 330 O ASN A 24 6.258 6.507 1.397 1.00 0.40 O ATOM 331 CB ASN A 24 5.177 7.453 4.396 1.00 0.31 C ATOM 332 CG ASN A 24 4.428 8.675 4.951 1.00 0.34 C ATOM 333 OD1 ASN A 24 4.860 9.810 4.785 1.00 0.49 O ATOM 334 ND2 ASN A 24 3.287 8.444 5.595 1.00 0.33 N ATOM 0 H ASN A 24 3.156 6.094 4.273 1.00 0.27 H new ATOM 0 HA ASN A 24 4.470 7.877 2.449 1.00 0.28 H new ATOM 0 HB2 ASN A 24 5.133 6.639 5.120 1.00 0.31 H new ATOM 0 HB3 ASN A 24 6.229 7.702 4.259 1.00 0.31 H new ATOM 0 HD21 ASN A 24 2.745 9.224 5.967 1.00 0.33 H new ATOM 0 HD22 ASN A 24 2.955 7.487 5.717 1.00 0.33 H new ATOM 341 N ALA A 25 5.385 4.734 2.476 1.00 0.32 N ATOM 342 CA ALA A 25 5.969 3.712 1.613 1.00 0.33 C ATOM 343 C ALA A 25 5.426 3.798 0.178 1.00 0.27 C ATOM 344 O ALA A 25 6.122 3.420 -0.760 1.00 0.29 O ATOM 345 CB ALA A 25 5.810 2.322 2.241 1.00 0.44 C ATOM 0 H ALA A 25 4.877 4.349 3.272 1.00 0.32 H new ATOM 0 HA ALA A 25 7.039 3.900 1.529 1.00 0.33 H new ATOM 0 HB1 ALA A 25 6.251 1.573 1.583 1.00 0.44 H new ATOM 0 HB2 ALA A 25 6.315 2.299 3.207 1.00 0.44 H new ATOM 0 HB3 ALA A 25 4.751 2.104 2.380 1.00 0.44 H new ATOM 351 N VAL A 26 4.213 4.328 -0.005 1.00 0.28 N ATOM 352 CA VAL A 26 3.596 4.565 -1.309 1.00 0.30 C ATOM 353 C VAL A 26 3.944 5.974 -1.846 1.00 0.26 C ATOM 354 O VAL A 26 4.224 6.163 -3.025 1.00 0.30 O ATOM 355 CB VAL A 26 2.079 4.311 -1.179 1.00 0.46 C ATOM 356 CG1 VAL A 26 1.340 4.553 -2.489 1.00 1.48 C ATOM 357 CG2 VAL A 26 1.781 2.866 -0.769 1.00 1.67 C ATOM 0 H VAL A 26 3.618 4.611 0.774 1.00 0.28 H new ATOM 0 HA VAL A 26 3.993 3.875 -2.053 1.00 0.30 H new ATOM 0 HB VAL A 26 1.737 5.011 -0.416 1.00 0.46 H new ATOM 0 HG11 VAL A 26 0.276 4.361 -2.347 1.00 1.48 H new ATOM 0 HG12 VAL A 26 1.484 5.587 -2.802 1.00 1.48 H new ATOM 0 HG13 VAL A 26 1.730 3.884 -3.256 1.00 1.48 H new ATOM 0 HG21 VAL A 26 0.703 2.726 -0.688 1.00 1.67 H new ATOM 0 HG22 VAL A 26 2.180 2.185 -1.521 1.00 1.67 H new ATOM 0 HG23 VAL A 26 2.248 2.657 0.194 1.00 1.67 H new ATOM 367 N ARG A 27 3.944 6.998 -0.996 1.00 0.28 N ATOM 368 CA ARG A 27 4.120 8.390 -1.393 1.00 0.27 C ATOM 369 C ARG A 27 5.545 8.592 -1.906 1.00 0.28 C ATOM 370 O ARG A 27 5.770 9.360 -2.836 1.00 0.38 O ATOM 371 CB ARG A 27 3.802 9.322 -0.209 1.00 0.32 C ATOM 372 CG ARG A 27 2.294 9.341 0.116 1.00 0.39 C ATOM 373 CD ARG A 27 1.930 9.749 1.550 1.00 0.96 C ATOM 374 NE ARG A 27 2.382 11.108 1.875 1.00 0.76 N ATOM 375 CZ ARG A 27 1.922 11.856 2.894 1.00 1.39 C ATOM 376 NH1 ARG A 27 0.949 11.417 3.698 1.00 2.54 N ATOM 377 NH2 ARG A 27 2.447 13.068 3.104 1.00 1.70 N ATOM 0 H ARG A 27 3.819 6.879 0.009 1.00 0.28 H new ATOM 0 HA ARG A 27 3.429 8.638 -2.198 1.00 0.27 H new ATOM 0 HB2 ARG A 27 4.359 8.997 0.670 1.00 0.32 H new ATOM 0 HB3 ARG A 27 4.136 10.333 -0.442 1.00 0.32 H new ATOM 0 HG2 ARG A 27 1.800 10.026 -0.574 1.00 0.39 H new ATOM 0 HG3 ARG A 27 1.887 8.348 -0.075 1.00 0.39 H new ATOM 0 HD2 ARG A 27 0.850 9.687 1.680 1.00 0.96 H new ATOM 0 HD3 ARG A 27 2.376 9.043 2.250 1.00 0.96 H new ATOM 0 HE ARG A 27 3.102 11.518 1.280 1.00 0.76 H new ATOM 0 HH11 ARG A 27 0.538 10.496 3.546 1.00 2.54 H new ATOM 0 HH12 ARG A 27 0.617 12.003 4.464 1.00 2.54 H new ATOM 0 HH21 ARG A 27 3.188 13.416 2.495 1.00 1.70 H new ATOM 0 HH22 ARG A 27 2.107 13.645 3.873 1.00 1.70 H new ATOM 391 N GLN A 28 6.504 7.874 -1.315 1.00 0.27 N ATOM 392 CA GLN A 28 7.900 7.914 -1.718 1.00 0.29 C ATOM 393 C GLN A 28 8.169 7.451 -3.158 1.00 0.32 C ATOM 394 O GLN A 28 9.307 7.583 -3.596 1.00 0.39 O ATOM 395 CB GLN A 28 8.773 7.184 -0.694 1.00 0.33 C ATOM 396 CG GLN A 28 8.628 5.658 -0.769 1.00 0.38 C ATOM 397 CD GLN A 28 9.335 4.986 0.406 1.00 0.44 C ATOM 398 OE1 GLN A 28 10.214 4.134 0.245 1.00 0.59 O ATOM 399 NE2 GLN A 28 8.961 5.380 1.620 1.00 0.49 N ATOM 0 H GLN A 28 6.324 7.243 -0.534 1.00 0.27 H new ATOM 0 HA GLN A 28 8.181 8.967 -1.730 1.00 0.29 H new ATOM 0 HB2 GLN A 28 9.817 7.454 -0.855 1.00 0.33 H new ATOM 0 HB3 GLN A 28 8.508 7.521 0.308 1.00 0.33 H new ATOM 0 HG2 GLN A 28 7.572 5.388 -0.766 1.00 0.38 H new ATOM 0 HG3 GLN A 28 9.047 5.294 -1.707 1.00 0.38 H new ATOM 0 HE21 GLN A 28 8.232 6.086 1.725 1.00 0.49 H new ATOM 0 HE22 GLN A 28 9.403 4.976 2.446 1.00 0.49 H new ATOM 408 N LEU A 29 7.208 6.811 -3.844 1.00 0.31 N ATOM 409 CA LEU A 29 7.388 6.353 -5.216 1.00 0.37 C ATOM 410 C LEU A 29 7.547 7.554 -6.157 1.00 0.46 C ATOM 411 O LEU A 29 8.584 8.210 -6.174 1.00 0.63 O ATOM 412 CB LEU A 29 6.265 5.391 -5.584 1.00 0.36 C ATOM 413 CG LEU A 29 6.178 4.187 -4.626 1.00 0.39 C ATOM 414 CD1 LEU A 29 5.608 3.030 -5.416 1.00 0.57 C ATOM 415 CD2 LEU A 29 7.458 3.662 -3.963 1.00 0.59 C ATOM 0 H LEU A 29 6.288 6.601 -3.456 1.00 0.31 H new ATOM 0 HA LEU A 29 8.312 5.784 -5.321 1.00 0.37 H new ATOM 0 HB2 LEU A 29 5.316 5.926 -5.576 1.00 0.36 H new ATOM 0 HB3 LEU A 29 6.419 5.031 -6.601 1.00 0.36 H new ATOM 0 HG LEU A 29 5.580 4.566 -3.798 1.00 0.39 H new ATOM 0 HD11 LEU A 29 5.529 2.154 -4.773 1.00 0.57 H new ATOM 0 HD12 LEU A 29 4.619 3.296 -5.789 1.00 0.57 H new ATOM 0 HD13 LEU A 29 6.264 2.805 -6.257 1.00 0.57 H new ATOM 0 HD21 LEU A 29 7.215 2.814 -3.322 1.00 0.59 H new ATOM 0 HD22 LEU A 29 8.162 3.345 -4.732 1.00 0.59 H new ATOM 0 HD23 LEU A 29 7.908 4.453 -3.363 1.00 0.59 H new ATOM 427 N ALA A 30 6.520 7.840 -6.955 1.00 0.39 N ATOM 428 CA ALA A 30 6.489 8.953 -7.900 1.00 0.43 C ATOM 429 C ALA A 30 5.176 8.915 -8.668 1.00 0.41 C ATOM 430 O ALA A 30 4.474 9.914 -8.777 1.00 0.44 O ATOM 431 CB ALA A 30 7.646 8.851 -8.901 1.00 0.47 C ATOM 0 H ALA A 30 5.662 7.288 -6.962 1.00 0.39 H new ATOM 0 HA ALA A 30 6.584 9.885 -7.343 1.00 0.43 H new ATOM 0 HB1 ALA A 30 7.602 9.691 -9.595 1.00 0.47 H new ATOM 0 HB2 ALA A 30 8.594 8.873 -8.364 1.00 0.47 H new ATOM 0 HB3 ALA A 30 7.565 7.917 -9.457 1.00 0.47 H new ATOM 437 N GLY A 31 4.865 7.739 -9.214 1.00 0.38 N ATOM 438 CA GLY A 31 3.735 7.570 -10.123 1.00 0.40 C ATOM 439 C GLY A 31 2.392 7.431 -9.400 1.00 0.37 C ATOM 440 O GLY A 31 1.344 7.345 -10.042 1.00 0.52 O ATOM 0 H GLY A 31 5.388 6.881 -9.039 1.00 0.38 H new ATOM 0 HA2 GLY A 31 3.690 8.425 -10.798 1.00 0.40 H new ATOM 0 HA3 GLY A 31 3.902 6.686 -10.739 1.00 0.40 H new ATOM 444 N VAL A 32 2.423 7.376 -8.066 1.00 0.27 N ATOM 445 CA VAL A 32 1.234 7.386 -7.234 1.00 0.26 C ATOM 446 C VAL A 32 0.555 8.748 -7.347 1.00 0.33 C ATOM 447 O VAL A 32 1.239 9.766 -7.407 1.00 0.46 O ATOM 448 CB VAL A 32 1.668 7.106 -5.788 1.00 0.28 C ATOM 449 CG1 VAL A 32 0.550 7.368 -4.765 1.00 0.41 C ATOM 450 CG2 VAL A 32 2.165 5.656 -5.711 1.00 0.27 C ATOM 0 H VAL A 32 3.291 7.323 -7.533 1.00 0.27 H new ATOM 0 HA VAL A 32 0.522 6.624 -7.553 1.00 0.26 H new ATOM 0 HB VAL A 32 2.468 7.797 -5.524 1.00 0.28 H new ATOM 0 HG11 VAL A 32 0.917 7.152 -3.762 1.00 0.41 H new ATOM 0 HG12 VAL A 32 0.242 8.412 -4.822 1.00 0.41 H new ATOM 0 HG13 VAL A 32 -0.303 6.726 -4.985 1.00 0.41 H new ATOM 0 HG21 VAL A 32 2.480 5.433 -4.692 1.00 0.27 H new ATOM 0 HG22 VAL A 32 1.360 4.980 -5.999 1.00 0.27 H new ATOM 0 HG23 VAL A 32 3.009 5.524 -6.388 1.00 0.27 H new ATOM 460 N ASN A 33 -0.781 8.764 -7.318 1.00 0.31 N ATOM 461 CA ASN A 33 -1.552 9.999 -7.283 1.00 0.39 C ATOM 462 C ASN A 33 -2.340 10.074 -5.989 1.00 0.36 C ATOM 463 O ASN A 33 -2.361 11.111 -5.331 1.00 0.64 O ATOM 464 CB ASN A 33 -2.489 10.049 -8.487 1.00 0.66 C ATOM 465 CG ASN A 33 -1.686 10.183 -9.769 1.00 1.43 C ATOM 466 OD1 ASN A 33 -2.027 9.421 -10.794 1.00 2.72 O flip ATOM 467 ND2 ASN A 33 -0.746 10.965 -9.848 1.00 1.50 N flip ATOM 0 H ASN A 33 -1.353 7.919 -7.318 1.00 0.31 H new ATOM 0 HA ASN A 33 -0.878 10.854 -7.328 1.00 0.39 H new ATOM 0 HB2 ASN A 33 -3.097 9.145 -8.522 1.00 0.66 H new ATOM 0 HB3 ASN A 33 -3.175 10.890 -8.389 1.00 0.66 H new ATOM 0 HD21 ASN A 33 -0.497 11.545 -9.047 1.00 1.50 H new ATOM 0 HD22 ASN A 33 -0.213 11.036 -10.715 1.00 1.50 H new ATOM 474 N GLN A 34 -2.998 8.974 -5.625 1.00 0.35 N ATOM 475 CA GLN A 34 -3.810 8.890 -4.432 1.00 0.44 C ATOM 476 C GLN A 34 -3.748 7.454 -3.917 1.00 0.48 C ATOM 477 O GLN A 34 -3.284 6.553 -4.611 1.00 1.02 O ATOM 478 CB GLN A 34 -5.226 9.426 -4.720 1.00 0.59 C ATOM 479 CG GLN A 34 -5.847 8.946 -6.047 1.00 1.44 C ATOM 480 CD GLN A 34 -6.289 10.098 -6.946 1.00 1.06 C ATOM 481 OE1 GLN A 34 -7.068 10.950 -6.534 1.00 1.33 O ATOM 482 NE2 GLN A 34 -5.807 10.143 -8.187 1.00 1.07 N ATOM 0 H GLN A 34 -2.976 8.109 -6.165 1.00 0.35 H new ATOM 0 HA GLN A 34 -3.434 9.525 -3.630 1.00 0.44 H new ATOM 0 HB2 GLN A 34 -5.883 9.132 -3.901 1.00 0.59 H new ATOM 0 HB3 GLN A 34 -5.192 10.515 -4.725 1.00 0.59 H new ATOM 0 HG2 GLN A 34 -5.121 8.333 -6.581 1.00 1.44 H new ATOM 0 HG3 GLN A 34 -6.705 8.310 -5.832 1.00 1.44 H new ATOM 0 HE21 GLN A 34 -5.160 9.423 -8.509 1.00 1.07 H new ATOM 0 HE22 GLN A 34 -6.085 10.897 -8.815 1.00 1.07 H new ATOM 491 N VAL A 35 -4.122 7.255 -2.658 1.00 0.37 N ATOM 492 CA VAL A 35 -3.947 6.000 -1.949 1.00 0.38 C ATOM 493 C VAL A 35 -4.980 5.961 -0.830 1.00 0.33 C ATOM 494 O VAL A 35 -5.173 6.974 -0.160 1.00 0.41 O ATOM 495 CB VAL A 35 -2.486 5.875 -1.452 1.00 0.52 C ATOM 496 CG1 VAL A 35 -1.897 7.197 -0.933 1.00 1.17 C ATOM 497 CG2 VAL A 35 -2.319 4.823 -0.348 1.00 1.43 C ATOM 0 H VAL A 35 -4.565 7.980 -2.093 1.00 0.37 H new ATOM 0 HA VAL A 35 -4.112 5.137 -2.595 1.00 0.38 H new ATOM 0 HB VAL A 35 -1.939 5.567 -2.343 1.00 0.52 H new ATOM 0 HG11 VAL A 35 -0.872 7.033 -0.602 1.00 1.17 H new ATOM 0 HG12 VAL A 35 -1.906 7.938 -1.732 1.00 1.17 H new ATOM 0 HG13 VAL A 35 -2.495 7.558 -0.096 1.00 1.17 H new ATOM 0 HG21 VAL A 35 -1.274 4.781 -0.040 1.00 1.43 H new ATOM 0 HG22 VAL A 35 -2.939 5.092 0.508 1.00 1.43 H new ATOM 0 HG23 VAL A 35 -2.626 3.848 -0.726 1.00 1.43 H new ATOM 507 N GLN A 36 -5.656 4.821 -0.639 1.00 0.36 N ATOM 508 CA GLN A 36 -6.577 4.623 0.460 1.00 0.37 C ATOM 509 C GLN A 36 -6.116 3.392 1.252 1.00 0.30 C ATOM 510 O GLN A 36 -6.281 2.243 0.845 1.00 0.39 O ATOM 511 CB GLN A 36 -8.021 4.582 -0.062 1.00 0.63 C ATOM 512 CG GLN A 36 -8.245 3.398 -0.995 1.00 1.70 C ATOM 513 CD GLN A 36 -9.561 3.421 -1.754 1.00 1.92 C ATOM 514 OE1 GLN A 36 -10.481 2.681 -1.401 1.00 2.65 O ATOM 515 NE2 GLN A 36 -9.649 4.195 -2.831 1.00 1.89 N ATOM 0 H GLN A 36 -5.570 4.011 -1.254 1.00 0.36 H new ATOM 0 HA GLN A 36 -6.573 5.457 1.162 1.00 0.37 H new ATOM 0 HB2 GLN A 36 -8.711 4.519 0.779 1.00 0.63 H new ATOM 0 HB3 GLN A 36 -8.245 5.509 -0.589 1.00 0.63 H new ATOM 0 HG2 GLN A 36 -7.428 3.362 -1.715 1.00 1.70 H new ATOM 0 HG3 GLN A 36 -8.195 2.479 -0.411 1.00 1.70 H new ATOM 0 HE21 GLN A 36 -8.867 4.795 -3.093 1.00 1.89 H new ATOM 0 HE22 GLN A 36 -10.499 4.189 -3.395 1.00 1.89 H new ATOM 524 N VAL A 37 -5.523 3.663 2.406 1.00 0.25 N ATOM 525 CA VAL A 37 -5.190 2.712 3.444 1.00 0.25 C ATOM 526 C VAL A 37 -6.367 2.740 4.420 1.00 0.28 C ATOM 527 O VAL A 37 -6.741 3.808 4.903 1.00 0.53 O ATOM 528 CB VAL A 37 -3.846 3.109 4.107 1.00 0.35 C ATOM 529 CG1 VAL A 37 -2.840 3.642 3.077 1.00 1.65 C ATOM 530 CG2 VAL A 37 -3.941 4.195 5.191 1.00 1.41 C ATOM 0 H VAL A 37 -5.247 4.613 2.653 1.00 0.25 H new ATOM 0 HA VAL A 37 -5.046 1.700 3.066 1.00 0.25 H new ATOM 0 HB VAL A 37 -3.526 2.175 4.568 1.00 0.35 H new ATOM 0 HG11 VAL A 37 -1.911 3.909 3.580 1.00 1.65 H new ATOM 0 HG12 VAL A 37 -2.640 2.872 2.332 1.00 1.65 H new ATOM 0 HG13 VAL A 37 -3.254 4.523 2.587 1.00 1.65 H new ATOM 0 HG21 VAL A 37 -2.947 4.399 5.590 1.00 1.41 H new ATOM 0 HG22 VAL A 37 -4.352 5.107 4.758 1.00 1.41 H new ATOM 0 HG23 VAL A 37 -4.591 3.851 5.995 1.00 1.41 H new ATOM 540 N LEU A 38 -7.014 1.597 4.651 1.00 0.27 N ATOM 541 CA LEU A 38 -8.142 1.495 5.552 1.00 0.29 C ATOM 542 C LEU A 38 -7.869 0.342 6.519 1.00 0.28 C ATOM 543 O LEU A 38 -7.829 -0.821 6.101 1.00 0.34 O ATOM 544 CB LEU A 38 -9.411 1.313 4.712 1.00 0.37 C ATOM 545 CG LEU A 38 -10.615 0.879 5.549 1.00 0.40 C ATOM 546 CD1 LEU A 38 -10.969 1.877 6.660 1.00 0.44 C ATOM 547 CD2 LEU A 38 -11.835 0.675 4.646 1.00 0.50 C ATOM 0 H LEU A 38 -6.761 0.713 4.210 1.00 0.27 H new ATOM 0 HA LEU A 38 -8.287 2.392 6.154 1.00 0.29 H new ATOM 0 HB2 LEU A 38 -9.644 2.250 4.206 1.00 0.37 H new ATOM 0 HB3 LEU A 38 -9.225 0.569 3.937 1.00 0.37 H new ATOM 0 HG LEU A 38 -10.335 -0.057 6.032 1.00 0.40 H new ATOM 0 HD11 LEU A 38 -11.831 1.511 7.217 1.00 0.44 H new ATOM 0 HD12 LEU A 38 -10.120 1.986 7.335 1.00 0.44 H new ATOM 0 HD13 LEU A 38 -11.207 2.844 6.218 1.00 0.44 H new ATOM 0 HD21 LEU A 38 -12.688 0.366 5.251 1.00 0.50 H new ATOM 0 HD22 LEU A 38 -12.071 1.609 4.137 1.00 0.50 H new ATOM 0 HD23 LEU A 38 -11.616 -0.096 3.907 1.00 0.50 H new ATOM 559 N PHE A 39 -7.685 0.681 7.800 1.00 0.61 N ATOM 560 CA PHE A 39 -7.555 -0.299 8.866 1.00 0.76 C ATOM 561 C PHE A 39 -8.849 -1.074 9.062 1.00 0.91 C ATOM 562 O PHE A 39 -9.914 -0.668 8.594 1.00 1.49 O ATOM 563 CB PHE A 39 -7.208 0.361 10.205 1.00 1.25 C ATOM 564 CG PHE A 39 -5.830 0.959 10.298 1.00 0.60 C ATOM 565 CD1 PHE A 39 -4.721 0.120 10.103 1.00 1.74 C ATOM 566 CD2 PHE A 39 -5.658 2.222 10.891 1.00 1.61 C ATOM 567 CE1 PHE A 39 -3.441 0.554 10.467 1.00 2.28 C ATOM 568 CE2 PHE A 39 -4.384 2.630 11.308 1.00 2.05 C ATOM 569 CZ PHE A 39 -3.271 1.802 11.089 1.00 2.05 C ATOM 0 H PHE A 39 -7.623 1.648 8.120 1.00 0.61 H new ATOM 0 HA PHE A 39 -6.751 -0.969 8.563 1.00 0.76 H new ATOM 0 HB2 PHE A 39 -7.939 1.145 10.403 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.316 -0.382 10.995 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -4.856 -0.861 9.672 1.00 1.74 H new ATOM 0 HD2 PHE A 39 -6.506 2.877 11.025 1.00 1.61 H new ATOM 0 HE1 PHE A 39 -2.583 -0.071 10.269 1.00 2.28 H new ATOM 0 HE2 PHE A 39 -4.258 3.584 11.799 1.00 2.05 H new ATOM 0 HZ PHE A 39 -2.287 2.124 11.398 1.00 2.05 H new ATOM 579 N ALA A 40 -8.739 -2.196 9.769 1.00 0.84 N ATOM 580 CA ALA A 40 -9.792 -3.105 10.191 1.00 0.94 C ATOM 581 C ALA A 40 -10.313 -3.933 9.013 1.00 0.77 C ATOM 582 O ALA A 40 -10.560 -5.129 9.134 1.00 0.99 O ATOM 583 CB ALA A 40 -10.913 -2.378 10.942 1.00 1.22 C ATOM 0 H ALA A 40 -7.825 -2.518 10.088 1.00 0.84 H new ATOM 0 HA ALA A 40 -9.357 -3.805 10.904 1.00 0.94 H new ATOM 0 HB1 ALA A 40 -11.678 -3.096 11.238 1.00 1.22 H new ATOM 0 HB2 ALA A 40 -10.503 -1.897 11.830 1.00 1.22 H new ATOM 0 HB3 ALA A 40 -11.356 -1.623 10.292 1.00 1.22 H new ATOM 589 N THR A 41 -10.469 -3.287 7.855 1.00 0.57 N ATOM 590 CA THR A 41 -10.582 -3.958 6.574 1.00 0.46 C ATOM 591 C THR A 41 -9.206 -4.489 6.156 1.00 0.40 C ATOM 592 O THR A 41 -9.131 -5.418 5.354 1.00 0.68 O ATOM 593 CB THR A 41 -11.152 -2.978 5.535 1.00 0.55 C ATOM 594 OG1 THR A 41 -12.253 -2.268 6.072 1.00 0.81 O ATOM 595 CG2 THR A 41 -11.656 -3.701 4.284 1.00 1.08 C ATOM 0 H THR A 41 -10.520 -2.270 7.788 1.00 0.57 H new ATOM 0 HA THR A 41 -11.263 -4.806 6.647 1.00 0.46 H new ATOM 0 HB THR A 41 -10.336 -2.304 5.272 1.00 0.55 H new ATOM 0 HG1 THR A 41 -12.793 -1.900 5.341 1.00 0.81 H new ATOM 0 HG21 THR A 41 -12.050 -2.972 3.576 1.00 1.08 H new ATOM 0 HG22 THR A 41 -10.833 -4.246 3.822 1.00 1.08 H new ATOM 0 HG23 THR A 41 -12.445 -4.401 4.561 1.00 1.08 H new ATOM 603 N GLU A 42 -8.121 -3.890 6.672 1.00 0.45 N ATOM 604 CA GLU A 42 -6.753 -4.205 6.298 1.00 0.59 C ATOM 605 C GLU A 42 -6.605 -4.171 4.776 1.00 0.58 C ATOM 606 O GLU A 42 -5.914 -4.998 4.173 1.00 0.69 O ATOM 607 CB GLU A 42 -6.333 -5.528 6.957 1.00 0.77 C ATOM 608 CG GLU A 42 -5.607 -5.258 8.280 1.00 2.07 C ATOM 609 CD GLU A 42 -6.475 -4.475 9.252 1.00 2.95 C ATOM 610 OE1 GLU A 42 -7.293 -5.119 9.939 1.00 3.24 O ATOM 611 OE2 GLU A 42 -6.374 -3.231 9.242 1.00 4.11 O ATOM 0 H GLU A 42 -8.184 -3.156 7.378 1.00 0.45 H new ATOM 0 HA GLU A 42 -6.060 -3.451 6.672 1.00 0.59 H new ATOM 0 HB2 GLU A 42 -7.212 -6.147 7.137 1.00 0.77 H new ATOM 0 HB3 GLU A 42 -5.682 -6.086 6.284 1.00 0.77 H new ATOM 0 HG2 GLU A 42 -5.316 -6.205 8.735 1.00 2.07 H new ATOM 0 HG3 GLU A 42 -4.689 -4.703 8.084 1.00 2.07 H new ATOM 618 N LYS A 43 -7.244 -3.169 4.164 1.00 0.55 N ATOM 619 CA LYS A 43 -7.273 -3.019 2.734 1.00 0.60 C ATOM 620 C LYS A 43 -6.298 -1.902 2.473 1.00 0.43 C ATOM 621 O LYS A 43 -6.420 -0.813 3.045 1.00 0.50 O ATOM 622 CB LYS A 43 -8.692 -2.706 2.226 1.00 0.91 C ATOM 623 CG LYS A 43 -8.720 -2.170 0.783 1.00 1.23 C ATOM 624 CD LYS A 43 -8.810 -0.634 0.755 1.00 0.95 C ATOM 625 CE LYS A 43 -10.260 -0.141 0.897 1.00 0.69 C ATOM 626 NZ LYS A 43 -10.891 0.210 -0.393 1.00 1.45 N ATOM 0 H LYS A 43 -7.755 -2.442 4.665 1.00 0.55 H new ATOM 0 HA LYS A 43 -6.998 -3.930 2.202 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -9.298 -3.611 2.282 1.00 0.91 H new ATOM 0 HB3 LYS A 43 -9.153 -1.972 2.887 1.00 0.91 H new ATOM 0 HG2 LYS A 43 -7.822 -2.493 0.256 1.00 1.23 H new ATOM 0 HG3 LYS A 43 -9.572 -2.595 0.252 1.00 1.23 H new ATOM 0 HD2 LYS A 43 -8.205 -0.220 1.562 1.00 0.95 H new ATOM 0 HD3 LYS A 43 -8.390 -0.263 -0.180 1.00 0.95 H new ATOM 0 HE2 LYS A 43 -10.853 -0.915 1.384 1.00 0.69 H new ATOM 0 HE3 LYS A 43 -10.277 0.731 1.550 1.00 0.69 H new ATOM 0 HZ1 LYS A 43 -11.919 0.304 -0.263 1.00 1.45 H new ATOM 0 HZ2 LYS A 43 -10.502 1.111 -0.736 1.00 1.45 H new ATOM 0 HZ3 LYS A 43 -10.697 -0.538 -1.089 1.00 1.45 H new ATOM 640 N LEU A 44 -5.356 -2.187 1.586 1.00 0.34 N ATOM 641 CA LEU A 44 -4.631 -1.188 0.882 1.00 0.30 C ATOM 642 C LEU A 44 -5.271 -1.026 -0.468 1.00 0.29 C ATOM 643 O LEU A 44 -5.537 -2.035 -1.114 1.00 0.40 O ATOM 644 CB LEU A 44 -3.186 -1.691 0.685 1.00 0.39 C ATOM 645 CG LEU A 44 -2.105 -0.789 1.259 1.00 0.51 C ATOM 646 CD1 LEU A 44 -1.028 -0.446 0.229 1.00 0.49 C ATOM 647 CD2 LEU A 44 -2.712 0.512 1.727 1.00 1.10 C ATOM 0 H LEU A 44 -5.084 -3.140 1.345 1.00 0.34 H new ATOM 0 HA LEU A 44 -4.632 -0.243 1.426 1.00 0.30 H new ATOM 0 HB2 LEU A 44 -3.095 -2.677 1.142 1.00 0.39 H new ATOM 0 HB3 LEU A 44 -3.004 -1.816 -0.382 1.00 0.39 H new ATOM 0 HG LEU A 44 -1.650 -1.337 2.084 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -0.279 0.200 0.687 1.00 0.49 H new ATOM 0 HD12 LEU A 44 -0.552 -1.363 -0.119 1.00 0.49 H new ATOM 0 HD13 LEU A 44 -1.484 0.070 -0.616 1.00 0.49 H new ATOM 0 HD21 LEU A 44 -1.930 1.152 2.137 1.00 1.10 H new ATOM 0 HD22 LEU A 44 -3.188 1.015 0.885 1.00 1.10 H new ATOM 0 HD23 LEU A 44 -3.456 0.310 2.497 1.00 1.10 H new ATOM 659 N VAL A 45 -5.465 0.220 -0.902 1.00 0.25 N ATOM 660 CA VAL A 45 -5.536 0.529 -2.310 1.00 0.32 C ATOM 661 C VAL A 45 -4.607 1.683 -2.643 1.00 0.32 C ATOM 662 O VAL A 45 -4.500 2.623 -1.860 1.00 0.42 O ATOM 663 CB VAL A 45 -6.978 0.790 -2.754 1.00 0.51 C ATOM 664 CG1 VAL A 45 -7.095 1.739 -3.952 1.00 0.83 C ATOM 665 CG2 VAL A 45 -7.592 -0.533 -3.165 1.00 0.78 C ATOM 0 H VAL A 45 -5.575 1.027 -0.287 1.00 0.25 H new ATOM 0 HA VAL A 45 -5.196 -0.339 -2.875 1.00 0.32 H new ATOM 0 HB VAL A 45 -7.486 1.259 -1.911 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -8.146 1.875 -4.207 1.00 0.83 H new ATOM 0 HG12 VAL A 45 -6.656 2.703 -3.696 1.00 0.83 H new ATOM 0 HG13 VAL A 45 -6.566 1.315 -4.805 1.00 0.83 H new ATOM 0 HG21 VAL A 45 -8.621 -0.372 -3.486 1.00 0.78 H new ATOM 0 HG22 VAL A 45 -7.018 -0.961 -3.987 1.00 0.78 H new ATOM 0 HG23 VAL A 45 -7.579 -1.219 -2.318 1.00 0.78 H new ATOM 675 N VAL A 46 -3.976 1.616 -3.815 1.00 0.32 N ATOM 676 CA VAL A 46 -3.194 2.680 -4.399 1.00 0.23 C ATOM 677 C VAL A 46 -3.782 2.986 -5.774 1.00 0.22 C ATOM 678 O VAL A 46 -4.020 2.070 -6.561 1.00 0.28 O ATOM 679 CB VAL A 46 -1.730 2.238 -4.454 1.00 0.32 C ATOM 680 CG1 VAL A 46 -0.891 3.293 -5.174 1.00 0.44 C ATOM 681 CG2 VAL A 46 -1.226 2.031 -3.019 1.00 0.32 C ATOM 0 H VAL A 46 -4.003 0.780 -4.399 1.00 0.32 H new ATOM 0 HA VAL A 46 -3.227 3.596 -3.809 1.00 0.23 H new ATOM 0 HB VAL A 46 -1.642 1.303 -5.007 1.00 0.32 H new ATOM 0 HG11 VAL A 46 0.149 2.969 -5.208 1.00 0.44 H new ATOM 0 HG12 VAL A 46 -1.264 3.423 -6.190 1.00 0.44 H new ATOM 0 HG13 VAL A 46 -0.959 4.240 -4.638 1.00 0.44 H new ATOM 0 HG21 VAL A 46 -0.183 1.715 -3.042 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -1.310 2.966 -2.465 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -1.826 1.264 -2.530 1.00 0.32 H new ATOM 691 N ASP A 47 -4.015 4.272 -6.038 1.00 0.24 N ATOM 692 CA ASP A 47 -4.520 4.808 -7.288 1.00 0.21 C ATOM 693 C ASP A 47 -3.372 5.584 -7.938 1.00 0.21 C ATOM 694 O ASP A 47 -2.953 6.644 -7.452 1.00 0.32 O ATOM 695 CB ASP A 47 -5.734 5.700 -7.016 1.00 0.31 C ATOM 696 CG ASP A 47 -7.004 4.893 -6.765 1.00 1.17 C ATOM 697 OD1 ASP A 47 -7.580 4.421 -7.767 1.00 2.03 O ATOM 698 OD2 ASP A 47 -7.391 4.761 -5.580 1.00 2.48 O ATOM 0 H ASP A 47 -3.845 5.001 -5.345 1.00 0.24 H new ATOM 0 HA ASP A 47 -4.854 4.019 -7.961 1.00 0.21 H new ATOM 0 HB2 ASP A 47 -5.531 6.331 -6.151 1.00 0.31 H new ATOM 0 HB3 ASP A 47 -5.891 6.364 -7.866 1.00 0.31 H new ATOM 703 N ALA A 48 -2.830 5.021 -9.018 1.00 0.23 N ATOM 704 CA ALA A 48 -1.626 5.507 -9.670 1.00 0.27 C ATOM 705 C ALA A 48 -1.851 5.485 -11.176 1.00 0.35 C ATOM 706 O ALA A 48 -2.414 4.521 -11.695 1.00 0.50 O ATOM 707 CB ALA A 48 -0.457 4.601 -9.275 1.00 0.34 C ATOM 0 H ALA A 48 -3.228 4.197 -9.469 1.00 0.23 H new ATOM 0 HA ALA A 48 -1.395 6.527 -9.364 1.00 0.27 H new ATOM 0 HB1 ALA A 48 0.455 4.953 -9.757 1.00 0.34 H new ATOM 0 HB2 ALA A 48 -0.328 4.624 -8.193 1.00 0.34 H new ATOM 0 HB3 ALA A 48 -0.665 3.579 -9.594 1.00 0.34 H new ATOM 713 N ASP A 49 -1.404 6.525 -11.882 1.00 0.46 N ATOM 714 CA ASP A 49 -1.569 6.608 -13.333 1.00 0.57 C ATOM 715 C ASP A 49 -0.268 6.134 -13.999 1.00 0.61 C ATOM 716 O ASP A 49 0.330 6.874 -14.776 1.00 0.85 O ATOM 717 CB ASP A 49 -1.942 8.042 -13.783 1.00 0.86 C ATOM 718 CG ASP A 49 -3.380 8.529 -13.564 1.00 1.01 C ATOM 719 OD1 ASP A 49 -3.875 8.606 -12.413 1.00 1.73 O ATOM 720 OD2 ASP A 49 -3.988 8.989 -14.557 1.00 2.02 O ATOM 0 H ASP A 49 -0.923 7.324 -11.470 1.00 0.46 H new ATOM 0 HA ASP A 49 -2.393 5.965 -13.640 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -1.276 8.734 -13.268 1.00 0.86 H new ATOM 0 HB3 ASP A 49 -1.724 8.122 -14.848 1.00 0.86 H new ATOM 725 N ASN A 50 0.178 4.900 -13.713 1.00 0.53 N ATOM 726 CA ASN A 50 1.336 4.295 -14.394 1.00 0.83 C ATOM 727 C ASN A 50 1.493 2.788 -14.125 1.00 1.09 C ATOM 728 O ASN A 50 1.830 2.046 -15.043 1.00 2.91 O ATOM 729 CB ASN A 50 2.653 5.036 -14.089 1.00 0.88 C ATOM 730 CG ASN A 50 3.215 4.741 -12.705 1.00 0.49 C ATOM 731 OD1 ASN A 50 4.380 4.392 -12.566 1.00 1.54 O ATOM 732 ND2 ASN A 50 2.407 4.900 -11.659 1.00 0.74 N ATOM 0 H ASN A 50 -0.249 4.297 -13.010 1.00 0.53 H new ATOM 0 HA ASN A 50 1.119 4.407 -15.456 1.00 0.83 H new ATOM 0 HB2 ASN A 50 3.395 4.763 -14.839 1.00 0.88 H new ATOM 0 HB3 ASN A 50 2.486 6.109 -14.182 1.00 0.88 H new ATOM 0 HD21 ASN A 50 2.755 4.730 -10.715 1.00 0.74 H new ATOM 0 HD22 ASN A 50 1.440 5.192 -11.801 1.00 0.74 H new ATOM 739 N ASP A 51 1.261 2.372 -12.875 1.00 1.30 N ATOM 740 CA ASP A 51 1.442 1.044 -12.281 1.00 1.12 C ATOM 741 C ASP A 51 2.776 0.946 -11.558 1.00 0.86 C ATOM 742 O ASP A 51 3.829 1.207 -12.134 1.00 1.03 O ATOM 743 CB ASP A 51 1.293 -0.160 -13.216 1.00 1.28 C ATOM 744 CG ASP A 51 0.936 -1.405 -12.402 1.00 2.12 C ATOM 745 OD1 ASP A 51 1.630 -1.699 -11.397 1.00 3.06 O ATOM 746 OD2 ASP A 51 -0.116 -1.981 -12.751 1.00 3.04 O ATOM 0 H ASP A 51 0.904 3.029 -12.181 1.00 1.30 H new ATOM 0 HA ASP A 51 0.602 0.973 -11.590 1.00 1.12 H new ATOM 0 HB2 ASP A 51 0.518 0.036 -13.957 1.00 1.28 H new ATOM 0 HB3 ASP A 51 2.222 -0.325 -13.763 1.00 1.28 H new ATOM 751 N ILE A 52 2.702 0.568 -10.285 1.00 0.54 N ATOM 752 CA ILE A 52 3.820 0.420 -9.382 1.00 0.40 C ATOM 753 C ILE A 52 3.508 -0.671 -8.348 1.00 0.31 C ATOM 754 O ILE A 52 4.003 -0.602 -7.227 1.00 0.32 O ATOM 755 CB ILE A 52 4.144 1.800 -8.754 1.00 0.45 C ATOM 756 CG1 ILE A 52 2.922 2.693 -8.476 1.00 0.46 C ATOM 757 CG2 ILE A 52 5.044 2.609 -9.693 1.00 0.61 C ATOM 758 CD1 ILE A 52 1.996 2.222 -7.359 1.00 0.56 C ATOM 0 H ILE A 52 1.811 0.347 -9.841 1.00 0.54 H new ATOM 0 HA ILE A 52 4.715 0.092 -9.910 1.00 0.40 H new ATOM 0 HB ILE A 52 4.616 1.552 -7.803 1.00 0.45 H new ATOM 0 HG12 ILE A 52 3.276 3.694 -8.231 1.00 0.46 H new ATOM 0 HG13 ILE A 52 2.340 2.776 -9.394 1.00 0.46 H new ATOM 0 HG21 ILE A 52 5.265 3.576 -9.242 1.00 0.61 H new ATOM 0 HG22 ILE A 52 5.974 2.067 -9.862 1.00 0.61 H new ATOM 0 HG23 ILE A 52 4.534 2.761 -10.644 1.00 0.61 H new ATOM 0 HD11 ILE A 52 1.170 2.925 -7.250 1.00 0.56 H new ATOM 0 HD12 ILE A 52 1.602 1.236 -7.604 1.00 0.56 H new ATOM 0 HD13 ILE A 52 2.553 2.168 -6.423 1.00 0.56 H new ATOM 770 N ARG A 53 2.711 -1.699 -8.675 1.00 0.32 N ATOM 771 CA ARG A 53 2.261 -2.640 -7.635 1.00 0.33 C ATOM 772 C ARG A 53 3.409 -3.322 -6.924 1.00 0.29 C ATOM 773 O ARG A 53 3.519 -3.256 -5.703 1.00 0.34 O ATOM 774 CB ARG A 53 1.395 -3.756 -8.184 1.00 0.41 C ATOM 775 CG ARG A 53 0.139 -3.181 -8.774 1.00 0.43 C ATOM 776 CD ARG A 53 -0.510 -4.210 -9.712 1.00 1.01 C ATOM 777 NE ARG A 53 -0.362 -5.620 -9.301 1.00 0.92 N ATOM 778 CZ ARG A 53 -1.170 -6.206 -8.411 1.00 1.74 C ATOM 779 NH1 ARG A 53 -1.869 -5.421 -7.592 1.00 3.37 N ATOM 780 NH2 ARG A 53 -1.284 -7.535 -8.348 1.00 2.10 N ATOM 0 H ARG A 53 2.373 -1.898 -9.617 1.00 0.32 H new ATOM 0 HA ARG A 53 1.695 -2.011 -6.948 1.00 0.33 H new ATOM 0 HB2 ARG A 53 1.943 -4.314 -8.944 1.00 0.41 H new ATOM 0 HB3 ARG A 53 1.146 -4.460 -7.390 1.00 0.41 H new ATOM 0 HG2 ARG A 53 -0.556 -2.909 -7.980 1.00 0.43 H new ATOM 0 HG3 ARG A 53 0.368 -2.268 -9.323 1.00 0.43 H new ATOM 0 HD2 ARG A 53 -1.573 -3.982 -9.794 1.00 1.01 H new ATOM 0 HD3 ARG A 53 -0.081 -4.092 -10.707 1.00 1.01 H new ATOM 0 HE ARG A 53 0.390 -6.172 -9.714 1.00 0.92 H new ATOM 0 HH11 ARG A 53 -1.778 -4.407 -7.656 1.00 3.37 H new ATOM 0 HH12 ARG A 53 -2.495 -5.834 -6.901 1.00 3.37 H new ATOM 0 HH21 ARG A 53 -0.749 -8.124 -8.986 1.00 2.10 H new ATOM 0 HH22 ARG A 53 -1.906 -7.962 -7.661 1.00 2.10 H new ATOM 794 N ALA A 54 4.269 -3.968 -7.712 1.00 0.26 N ATOM 795 CA ALA A 54 5.476 -4.591 -7.208 1.00 0.26 C ATOM 796 C ALA A 54 6.292 -3.566 -6.428 1.00 0.26 C ATOM 797 O ALA A 54 7.025 -3.926 -5.506 1.00 0.24 O ATOM 798 CB ALA A 54 6.291 -5.151 -8.377 1.00 0.28 C ATOM 0 H ALA A 54 4.141 -4.070 -8.719 1.00 0.26 H new ATOM 0 HA ALA A 54 5.215 -5.412 -6.540 1.00 0.26 H new ATOM 0 HB1 ALA A 54 7.199 -5.619 -7.996 1.00 0.28 H new ATOM 0 HB2 ALA A 54 5.697 -5.892 -8.912 1.00 0.28 H new ATOM 0 HB3 ALA A 54 6.558 -4.341 -9.056 1.00 0.28 H new ATOM 804 N GLN A 55 6.170 -2.280 -6.788 1.00 0.28 N ATOM 805 CA GLN A 55 7.008 -1.277 -6.163 1.00 0.25 C ATOM 806 C GLN A 55 6.434 -0.940 -4.797 1.00 0.26 C ATOM 807 O GLN A 55 7.176 -0.788 -3.828 1.00 0.32 O ATOM 808 CB GLN A 55 7.173 -0.068 -7.086 1.00 0.26 C ATOM 809 CG GLN A 55 8.453 0.716 -6.775 1.00 0.49 C ATOM 810 CD GLN A 55 8.610 1.923 -7.697 1.00 1.49 C ATOM 811 OE1 GLN A 55 8.726 3.057 -7.244 1.00 3.05 O ATOM 812 NE2 GLN A 55 8.607 1.696 -9.007 1.00 1.02 N ATOM 0 H GLN A 55 5.517 -1.929 -7.488 1.00 0.28 H new ATOM 0 HA GLN A 55 8.017 -1.657 -6.002 1.00 0.25 H new ATOM 0 HB2 GLN A 55 7.195 -0.403 -8.123 1.00 0.26 H new ATOM 0 HB3 GLN A 55 6.310 0.589 -6.982 1.00 0.26 H new ATOM 0 HG2 GLN A 55 8.433 1.050 -5.738 1.00 0.49 H new ATOM 0 HG3 GLN A 55 9.317 0.060 -6.882 1.00 0.49 H new ATOM 0 HE21 GLN A 55 8.509 0.744 -9.359 1.00 1.02 H new ATOM 0 HE22 GLN A 55 8.703 2.474 -9.660 1.00 1.02 H new ATOM 821 N VAL A 56 5.106 -0.876 -4.704 1.00 0.24 N ATOM 822 CA VAL A 56 4.467 -0.617 -3.441 1.00 0.22 C ATOM 823 C VAL A 56 4.696 -1.825 -2.540 1.00 0.21 C ATOM 824 O VAL A 56 5.140 -1.670 -1.406 1.00 0.22 O ATOM 825 CB VAL A 56 2.979 -0.386 -3.666 1.00 0.24 C ATOM 826 CG1 VAL A 56 2.288 -0.326 -2.300 1.00 0.37 C ATOM 827 CG2 VAL A 56 2.773 0.941 -4.388 1.00 0.42 C ATOM 0 H VAL A 56 4.467 -1.001 -5.489 1.00 0.24 H new ATOM 0 HA VAL A 56 4.883 0.274 -2.970 1.00 0.22 H new ATOM 0 HB VAL A 56 2.562 -1.193 -4.269 1.00 0.24 H new ATOM 0 HG11 VAL A 56 1.220 -0.161 -2.440 1.00 0.37 H new ATOM 0 HG12 VAL A 56 2.444 -1.267 -1.772 1.00 0.37 H new ATOM 0 HG13 VAL A 56 2.708 0.492 -1.715 1.00 0.37 H new ATOM 0 HG21 VAL A 56 1.708 1.106 -4.549 1.00 0.42 H new ATOM 0 HG22 VAL A 56 3.178 1.752 -3.782 1.00 0.42 H new ATOM 0 HG23 VAL A 56 3.286 0.915 -5.350 1.00 0.42 H new ATOM 837 N GLU A 57 4.410 -3.032 -3.048 1.00 0.22 N ATOM 838 CA GLU A 57 4.690 -4.257 -2.319 1.00 0.20 C ATOM 839 C GLU A 57 6.106 -4.212 -1.774 1.00 0.24 C ATOM 840 O GLU A 57 6.258 -4.286 -0.563 1.00 0.28 O ATOM 841 CB GLU A 57 4.399 -5.518 -3.146 1.00 0.25 C ATOM 842 CG GLU A 57 5.382 -6.667 -2.841 1.00 0.49 C ATOM 843 CD GLU A 57 4.828 -8.059 -3.093 1.00 1.15 C ATOM 844 OE1 GLU A 57 3.805 -8.157 -3.804 1.00 2.32 O ATOM 845 OE2 GLU A 57 5.431 -8.989 -2.511 1.00 2.21 O ATOM 0 H GLU A 57 3.984 -3.176 -3.964 1.00 0.22 H new ATOM 0 HA GLU A 57 4.006 -4.321 -1.473 1.00 0.20 H new ATOM 0 HB2 GLU A 57 3.381 -5.853 -2.946 1.00 0.25 H new ATOM 0 HB3 GLU A 57 4.451 -5.272 -4.207 1.00 0.25 H new ATOM 0 HG2 GLU A 57 6.277 -6.532 -3.448 1.00 0.49 H new ATOM 0 HG3 GLU A 57 5.690 -6.596 -1.798 1.00 0.49 H new ATOM 852 N SER A 58 7.119 -4.042 -2.629 1.00 0.25 N ATOM 853 CA SER A 58 8.505 -3.939 -2.187 1.00 0.35 C ATOM 854 C SER A 58 8.623 -2.985 -0.991 1.00 0.37 C ATOM 855 O SER A 58 9.290 -3.287 -0.001 1.00 0.43 O ATOM 856 CB SER A 58 9.385 -3.498 -3.363 1.00 0.45 C ATOM 857 OG SER A 58 10.751 -3.494 -2.995 1.00 0.75 O ATOM 0 H SER A 58 6.999 -3.973 -3.639 1.00 0.25 H new ATOM 0 HA SER A 58 8.854 -4.915 -1.849 1.00 0.35 H new ATOM 0 HB2 SER A 58 9.233 -4.169 -4.208 1.00 0.45 H new ATOM 0 HB3 SER A 58 9.089 -2.501 -3.691 1.00 0.45 H new ATOM 0 HG SER A 58 11.295 -3.211 -3.760 1.00 0.75 H new ATOM 863 N ALA A 59 7.922 -1.848 -1.055 1.00 0.41 N ATOM 864 CA ALA A 59 7.939 -0.831 -0.030 1.00 0.45 C ATOM 865 C ALA A 59 7.351 -1.349 1.286 1.00 0.37 C ATOM 866 O ALA A 59 7.935 -1.149 2.349 1.00 0.43 O ATOM 867 CB ALA A 59 7.225 0.417 -0.543 1.00 0.51 C ATOM 0 H ALA A 59 7.318 -1.616 -1.843 1.00 0.41 H new ATOM 0 HA ALA A 59 8.971 -0.562 0.193 1.00 0.45 H new ATOM 0 HB1 ALA A 59 7.237 1.186 0.229 1.00 0.51 H new ATOM 0 HB2 ALA A 59 7.734 0.788 -1.432 1.00 0.51 H new ATOM 0 HB3 ALA A 59 6.193 0.169 -0.793 1.00 0.51 H new ATOM 873 N LEU A 60 6.206 -2.027 1.224 1.00 0.25 N ATOM 874 CA LEU A 60 5.534 -2.562 2.402 1.00 0.22 C ATOM 875 C LEU A 60 6.320 -3.737 2.981 1.00 0.21 C ATOM 876 O LEU A 60 6.437 -3.889 4.197 1.00 0.24 O ATOM 877 CB LEU A 60 4.099 -2.975 2.041 1.00 0.30 C ATOM 878 CG LEU A 60 3.126 -1.787 2.134 1.00 0.65 C ATOM 879 CD1 LEU A 60 3.073 -1.017 0.822 1.00 1.32 C ATOM 880 CD2 LEU A 60 1.709 -2.251 2.496 1.00 1.68 C ATOM 0 H LEU A 60 5.718 -2.220 0.350 1.00 0.25 H new ATOM 0 HA LEU A 60 5.486 -1.788 3.168 1.00 0.22 H new ATOM 0 HB2 LEU A 60 4.081 -3.382 1.030 1.00 0.30 H new ATOM 0 HB3 LEU A 60 3.769 -3.769 2.711 1.00 0.30 H new ATOM 0 HG LEU A 60 3.500 -1.134 2.922 1.00 0.65 H new ATOM 0 HD11 LEU A 60 2.377 -0.183 0.917 1.00 1.32 H new ATOM 0 HD12 LEU A 60 4.066 -0.636 0.583 1.00 1.32 H new ATOM 0 HD13 LEU A 60 2.738 -1.680 0.024 1.00 1.32 H new ATOM 0 HD21 LEU A 60 1.047 -1.387 2.554 1.00 1.68 H new ATOM 0 HD22 LEU A 60 1.344 -2.937 1.732 1.00 1.68 H new ATOM 0 HD23 LEU A 60 1.728 -2.759 3.460 1.00 1.68 H new ATOM 892 N GLN A 61 6.883 -4.550 2.095 1.00 0.27 N ATOM 893 CA GLN A 61 7.730 -5.672 2.450 1.00 0.39 C ATOM 894 C GLN A 61 8.945 -5.148 3.227 1.00 0.46 C ATOM 895 O GLN A 61 9.212 -5.629 4.325 1.00 0.55 O ATOM 896 CB GLN A 61 8.081 -6.484 1.186 1.00 0.43 C ATOM 897 CG GLN A 61 7.431 -7.882 1.126 1.00 0.59 C ATOM 898 CD GLN A 61 5.896 -7.894 1.112 1.00 1.57 C ATOM 899 OE1 GLN A 61 5.252 -7.438 2.051 1.00 3.57 O ATOM 900 NE2 GLN A 61 5.261 -8.461 0.089 1.00 0.87 N ATOM 0 H GLN A 61 6.758 -4.441 1.089 1.00 0.27 H new ATOM 0 HA GLN A 61 7.215 -6.369 3.110 1.00 0.39 H new ATOM 0 HB2 GLN A 61 7.775 -5.916 0.307 1.00 0.43 H new ATOM 0 HB3 GLN A 61 9.164 -6.597 1.131 1.00 0.43 H new ATOM 0 HG2 GLN A 61 7.790 -8.393 0.232 1.00 0.59 H new ATOM 0 HG3 GLN A 61 7.774 -8.461 1.983 1.00 0.59 H new ATOM 0 HE21 GLN A 61 5.793 -8.841 -0.694 1.00 0.87 H new ATOM 0 HE22 GLN A 61 4.242 -8.515 0.088 1.00 0.87 H new ATOM 909 N LYS A 62 9.655 -4.128 2.714 1.00 0.45 N ATOM 910 CA LYS A 62 10.754 -3.531 3.476 1.00 0.49 C ATOM 911 C LYS A 62 10.250 -2.852 4.758 1.00 0.44 C ATOM 912 O LYS A 62 10.931 -2.888 5.779 1.00 0.54 O ATOM 913 CB LYS A 62 11.649 -2.604 2.629 1.00 0.57 C ATOM 914 CG LYS A 62 10.977 -1.307 2.169 1.00 2.32 C ATOM 915 CD LYS A 62 11.965 -0.280 1.595 1.00 2.38 C ATOM 916 CE LYS A 62 11.180 0.888 0.963 1.00 4.55 C ATOM 917 NZ LYS A 62 11.981 2.111 0.748 1.00 5.17 N ATOM 0 H LYS A 62 9.490 -3.711 1.798 1.00 0.45 H new ATOM 0 HA LYS A 62 11.400 -4.355 3.780 1.00 0.49 H new ATOM 0 HB2 LYS A 62 12.537 -2.351 3.208 1.00 0.57 H new ATOM 0 HB3 LYS A 62 11.988 -3.153 1.750 1.00 0.57 H new ATOM 0 HG2 LYS A 62 10.228 -1.543 1.413 1.00 2.32 H new ATOM 0 HG3 LYS A 62 10.449 -0.861 3.012 1.00 2.32 H new ATOM 0 HD2 LYS A 62 12.619 0.092 2.383 1.00 2.38 H new ATOM 0 HD3 LYS A 62 12.603 -0.751 0.847 1.00 2.38 H new ATOM 0 HE2 LYS A 62 10.773 0.561 0.006 1.00 4.55 H new ATOM 0 HE3 LYS A 62 10.333 1.130 1.604 1.00 4.55 H new ATOM 0 HZ1 LYS A 62 11.357 2.943 0.768 1.00 5.17 H new ATOM 0 HZ2 LYS A 62 12.695 2.195 1.500 1.00 5.17 H new ATOM 0 HZ3 LYS A 62 12.456 2.057 -0.176 1.00 5.17 H new ATOM 931 N ALA A 63 9.082 -2.198 4.707 1.00 0.34 N ATOM 932 CA ALA A 63 8.527 -1.502 5.863 1.00 0.34 C ATOM 933 C ALA A 63 8.249 -2.472 7.010 1.00 0.37 C ATOM 934 O ALA A 63 8.483 -2.128 8.168 1.00 0.48 O ATOM 935 CB ALA A 63 7.260 -0.736 5.478 1.00 0.33 C ATOM 0 H ALA A 63 8.504 -2.140 3.869 1.00 0.34 H new ATOM 0 HA ALA A 63 9.269 -0.782 6.208 1.00 0.34 H new ATOM 0 HB1 ALA A 63 6.863 -0.225 6.355 1.00 0.33 H new ATOM 0 HB2 ALA A 63 7.498 -0.003 4.707 1.00 0.33 H new ATOM 0 HB3 ALA A 63 6.515 -1.434 5.097 1.00 0.33 H new ATOM 941 N GLY A 64 7.749 -3.667 6.682 1.00 0.36 N ATOM 942 CA GLY A 64 7.544 -4.756 7.623 1.00 0.40 C ATOM 943 C GLY A 64 6.072 -5.141 7.698 1.00 0.43 C ATOM 944 O GLY A 64 5.481 -5.121 8.775 1.00 0.65 O ATOM 0 H GLY A 64 7.471 -3.903 5.729 1.00 0.36 H new ATOM 0 HA2 GLY A 64 8.135 -5.620 7.319 1.00 0.40 H new ATOM 0 HA3 GLY A 64 7.897 -4.460 8.611 1.00 0.40 H new ATOM 948 N TYR A 65 5.488 -5.514 6.557 1.00 0.31 N ATOM 949 CA TYR A 65 4.157 -6.102 6.484 1.00 0.36 C ATOM 950 C TYR A 65 4.225 -7.380 5.654 1.00 0.49 C ATOM 951 O TYR A 65 5.274 -7.703 5.099 1.00 1.15 O ATOM 952 CB TYR A 65 3.182 -5.097 5.858 1.00 0.44 C ATOM 953 CG TYR A 65 3.152 -3.756 6.559 1.00 0.54 C ATOM 954 CD1 TYR A 65 2.678 -3.670 7.881 1.00 1.78 C ATOM 955 CD2 TYR A 65 3.703 -2.619 5.939 1.00 2.03 C ATOM 956 CE1 TYR A 65 2.759 -2.454 8.579 1.00 1.80 C ATOM 957 CE2 TYR A 65 3.759 -1.397 6.628 1.00 2.13 C ATOM 958 CZ TYR A 65 3.284 -1.316 7.946 1.00 0.90 C ATOM 959 OH TYR A 65 3.291 -0.124 8.600 1.00 1.17 O ATOM 0 H TYR A 65 5.937 -5.413 5.647 1.00 0.31 H new ATOM 0 HA TYR A 65 3.800 -6.347 7.484 1.00 0.36 H new ATOM 0 HB2 TYR A 65 3.453 -4.944 4.813 1.00 0.44 H new ATOM 0 HB3 TYR A 65 2.179 -5.524 5.868 1.00 0.44 H new ATOM 0 HD1 TYR A 65 2.252 -4.539 8.359 1.00 1.78 H new ATOM 0 HD2 TYR A 65 4.084 -2.687 4.931 1.00 2.03 H new ATOM 0 HE1 TYR A 65 2.418 -2.394 9.602 1.00 1.80 H new ATOM 0 HE2 TYR A 65 4.167 -0.521 6.145 1.00 2.13 H new ATOM 0 HH TYR A 65 2.590 0.454 8.234 1.00 1.17 H new ATOM 969 N SER A 66 3.099 -8.088 5.554 1.00 0.49 N ATOM 970 CA SER A 66 2.904 -9.162 4.598 1.00 0.46 C ATOM 971 C SER A 66 1.634 -8.844 3.819 1.00 0.39 C ATOM 972 O SER A 66 0.617 -8.515 4.439 1.00 0.54 O ATOM 973 CB SER A 66 2.773 -10.498 5.330 1.00 0.60 C ATOM 974 OG SER A 66 1.728 -10.442 6.279 1.00 2.10 O ATOM 0 H SER A 66 2.287 -7.923 6.149 1.00 0.49 H new ATOM 0 HA SER A 66 3.754 -9.243 3.920 1.00 0.46 H new ATOM 0 HB2 SER A 66 2.578 -11.295 4.612 1.00 0.60 H new ATOM 0 HB3 SER A 66 3.712 -10.740 5.828 1.00 0.60 H new ATOM 0 HG SER A 66 1.064 -9.779 5.996 1.00 2.10 H new ATOM 980 N LEU A 67 1.704 -8.965 2.493 1.00 0.41 N ATOM 981 CA LEU A 67 0.605 -8.790 1.566 1.00 0.38 C ATOM 982 C LEU A 67 0.757 -9.794 0.436 1.00 0.37 C ATOM 983 O LEU A 67 1.785 -10.461 0.341 1.00 0.36 O ATOM 984 CB LEU A 67 0.566 -7.344 1.050 1.00 0.33 C ATOM 985 CG LEU A 67 1.901 -6.768 0.541 1.00 0.39 C ATOM 986 CD1 LEU A 67 2.348 -7.239 -0.841 1.00 0.83 C ATOM 987 CD2 LEU A 67 1.750 -5.250 0.548 1.00 0.75 C ATOM 0 H LEU A 67 2.577 -9.200 2.021 1.00 0.41 H new ATOM 0 HA LEU A 67 -0.345 -8.972 2.067 1.00 0.38 H new ATOM 0 HB2 LEU A 67 -0.162 -7.288 0.241 1.00 0.33 H new ATOM 0 HB3 LEU A 67 0.200 -6.703 1.852 1.00 0.33 H new ATOM 0 HG LEU A 67 2.685 -7.132 1.205 1.00 0.39 H new ATOM 0 HD11 LEU A 67 3.298 -6.770 -1.096 1.00 0.83 H new ATOM 0 HD12 LEU A 67 2.468 -8.322 -0.835 1.00 0.83 H new ATOM 0 HD13 LEU A 67 1.597 -6.962 -1.581 1.00 0.83 H new ATOM 0 HD21 LEU A 67 2.673 -4.791 0.194 1.00 0.75 H new ATOM 0 HD22 LEU A 67 0.928 -4.963 -0.107 1.00 0.75 H new ATOM 0 HD23 LEU A 67 1.541 -4.910 1.562 1.00 0.75 H new ATOM 999 N ARG A 68 -0.270 -9.894 -0.410 1.00 0.49 N ATOM 1000 CA ARG A 68 -0.237 -10.633 -1.658 1.00 0.56 C ATOM 1001 C ARG A 68 -0.881 -9.697 -2.681 1.00 0.63 C ATOM 1002 O ARG A 68 -2.037 -9.321 -2.481 1.00 1.00 O ATOM 1003 CB ARG A 68 -1.021 -11.949 -1.526 1.00 0.72 C ATOM 1004 CG ARG A 68 -0.807 -12.688 -0.190 1.00 0.49 C ATOM 1005 CD ARG A 68 -0.771 -14.213 -0.377 1.00 1.11 C ATOM 1006 NE ARG A 68 -0.848 -14.922 0.914 1.00 1.68 N ATOM 1007 CZ ARG A 68 -0.643 -16.240 1.090 1.00 2.59 C ATOM 1008 NH1 ARG A 68 -0.213 -16.992 0.070 1.00 3.11 N ATOM 1009 NH2 ARG A 68 -0.877 -16.804 2.280 1.00 3.71 N ATOM 0 H ARG A 68 -1.170 -9.448 -0.234 1.00 0.49 H new ATOM 0 HA ARG A 68 0.774 -10.915 -1.952 1.00 0.56 H new ATOM 0 HB2 ARG A 68 -2.084 -11.738 -1.644 1.00 0.72 H new ATOM 0 HB3 ARG A 68 -0.735 -12.611 -2.343 1.00 0.72 H new ATOM 0 HG2 ARG A 68 0.127 -12.356 0.263 1.00 0.49 H new ATOM 0 HG3 ARG A 68 -1.607 -12.426 0.502 1.00 0.49 H new ATOM 0 HD2 ARG A 68 -1.601 -14.522 -1.012 1.00 1.11 H new ATOM 0 HD3 ARG A 68 0.147 -14.495 -0.893 1.00 1.11 H new ATOM 0 HE ARG A 68 -1.075 -14.368 1.740 1.00 1.68 H new ATOM 0 HH11 ARG A 68 -0.041 -16.566 -0.841 1.00 3.11 H new ATOM 0 HH12 ARG A 68 -0.057 -17.991 0.203 1.00 3.11 H new ATOM 0 HH21 ARG A 68 -1.212 -16.235 3.057 1.00 3.71 H new ATOM 0 HH22 ARG A 68 -0.721 -17.803 2.410 1.00 3.71 H new ATOM 1023 N ASP A 69 -0.124 -9.259 -3.691 1.00 0.51 N ATOM 1024 CA ASP A 69 -0.508 -8.270 -4.691 1.00 0.60 C ATOM 1025 C ASP A 69 -1.894 -8.502 -5.292 1.00 0.64 C ATOM 1026 O ASP A 69 -2.056 -9.166 -6.315 1.00 1.24 O ATOM 1027 CB ASP A 69 0.558 -8.176 -5.785 1.00 0.86 C ATOM 1028 CG ASP A 69 0.683 -9.402 -6.688 1.00 1.52 C ATOM 1029 OD1 ASP A 69 0.779 -10.519 -6.141 1.00 2.77 O ATOM 1030 OD2 ASP A 69 0.662 -9.177 -7.924 1.00 2.60 O ATOM 0 H ASP A 69 0.824 -9.606 -3.837 1.00 0.51 H new ATOM 0 HA ASP A 69 -0.574 -7.316 -4.167 1.00 0.60 H new ATOM 0 HB2 ASP A 69 0.339 -7.308 -6.408 1.00 0.86 H new ATOM 0 HB3 ASP A 69 1.523 -7.994 -5.313 1.00 0.86 H new ATOM 1035 N GLU A 70 -2.923 -7.885 -4.719 1.00 0.47 N ATOM 1036 CA GLU A 70 -4.266 -8.227 -5.126 1.00 0.46 C ATOM 1037 C GLU A 70 -4.561 -7.777 -6.543 1.00 0.49 C ATOM 1038 O GLU A 70 -3.852 -6.974 -7.136 1.00 0.57 O ATOM 1039 CB GLU A 70 -5.321 -7.667 -4.169 1.00 0.49 C ATOM 1040 CG GLU A 70 -6.181 -8.824 -3.700 1.00 0.57 C ATOM 1041 CD GLU A 70 -7.351 -8.357 -2.860 1.00 1.65 C ATOM 1042 OE1 GLU A 70 -7.984 -7.347 -3.247 1.00 2.51 O ATOM 1043 OE2 GLU A 70 -7.630 -9.107 -1.901 1.00 2.96 O ATOM 0 H GLU A 70 -2.851 -7.170 -3.996 1.00 0.47 H new ATOM 0 HA GLU A 70 -4.321 -9.315 -5.092 1.00 0.46 H new ATOM 0 HB2 GLU A 70 -4.845 -7.176 -3.320 1.00 0.49 H new ATOM 0 HB3 GLU A 70 -5.931 -6.916 -4.670 1.00 0.49 H new ATOM 0 HG2 GLU A 70 -6.552 -9.374 -4.565 1.00 0.57 H new ATOM 0 HG3 GLU A 70 -5.572 -9.517 -3.120 1.00 0.57 H new ATOM 1050 N GLN A 71 -5.661 -8.301 -7.053 1.00 0.59 N ATOM 1051 CA GLN A 71 -6.370 -7.779 -8.204 1.00 0.57 C ATOM 1052 C GLN A 71 -6.452 -6.245 -8.178 1.00 0.59 C ATOM 1053 O GLN A 71 -6.384 -5.612 -7.121 1.00 0.71 O ATOM 1054 CB GLN A 71 -7.768 -8.415 -8.246 1.00 0.78 C ATOM 1055 CG GLN A 71 -8.642 -8.006 -7.040 1.00 2.09 C ATOM 1056 CD GLN A 71 -9.205 -9.180 -6.243 1.00 3.17 C ATOM 1057 OE1 GLN A 71 -9.483 -10.244 -6.785 1.00 3.73 O ATOM 1058 NE2 GLN A 71 -9.377 -9.006 -4.937 1.00 3.99 N ATOM 0 H GLN A 71 -6.101 -9.134 -6.661 1.00 0.59 H new ATOM 0 HA GLN A 71 -5.822 -8.038 -9.110 1.00 0.57 H new ATOM 0 HB2 GLN A 71 -8.269 -8.123 -9.169 1.00 0.78 H new ATOM 0 HB3 GLN A 71 -7.669 -9.500 -8.267 1.00 0.78 H new ATOM 0 HG2 GLN A 71 -8.049 -7.380 -6.373 1.00 2.09 H new ATOM 0 HG3 GLN A 71 -9.471 -7.395 -7.398 1.00 2.09 H new ATOM 0 HE21 GLN A 71 -9.139 -8.113 -4.506 1.00 3.99 H new ATOM 0 HE22 GLN A 71 -9.747 -9.766 -4.366 1.00 3.99 H new