USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 36 SER OG : rot 121:sc= -1.21! USER MOD Set 1.2: A 57 SER OG : rot -110:sc= 1.04! USER MOD Set 1.3: A 58 THR OG1 : rot 160:sc=-0.00339 USER MOD Set 2.1: A 32 SER OG : rot 28:sc= 0.398 USER MOD Set 2.2: A 43 GLN :FLIP amide:sc= -0.72 F(o=-1.3!,f=-0.32) USER MOD Single : A 37 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= -0.0472 (180deg=-0.352) USER MOD Single : A 39 HIS : no HD1:sc= -13.6! C(o=-14!,f=-17!) USER MOD Single : A 41 TYR OH : rot 60:sc= 0.159 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -97:sc= 0.549 USER MOD Single : A 52 THR OG1 : rot 161:sc= -1.36! USER MOD Single : A 55 SER OG : rot -170:sc= -2! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 55:sc= -0.269! USER MOD Single : A 69 ASN :FLIP amide:sc= -1.08 F(o=-3.8,f=-1.1) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.177 F(o=-2.5!,f=-0.18) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= -0.0246 (180deg=-0.153) USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= 0.228 (180deg=-0.614) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= -3.39! (180deg=-3.62!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -4.15! C(o=-4.1!,f=-9.6!) USER MOD Single : A 100 TYR OH : rot 93:sc= -2.13! USER MOD Single : A 102 TYR OH : rot 70:sc= -2.85! USER MOD Single : A 103 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.3) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N PRO A 29 -8.936 3.080 -0.139 1.00 1.75 N ATOM 76 CA PRO A 29 -7.910 2.042 0.030 1.00 1.73 C ATOM 77 C PRO A 29 -7.134 1.802 -1.270 1.00 1.12 C ATOM 78 O PRO A 29 -7.729 1.572 -2.319 1.00 0.97 O ATOM 79 CB PRO A 29 -8.723 0.814 0.455 1.00 2.28 C ATOM 80 CG PRO A 29 -9.967 1.365 1.055 1.00 2.24 C ATOM 81 CD PRO A 29 -10.269 2.616 0.285 1.00 1.93 C ATOM 0 HA PRO A 29 -7.143 2.309 0.758 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -8.946 0.174 -0.398 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -8.174 0.206 1.174 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -10.787 0.651 0.980 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -9.828 1.581 2.114 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.917 2.417 -0.569 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -10.776 3.357 0.903 1.00 1.93 H new ATOM 89 N ARG A 30 -5.801 1.890 -1.187 1.00 1.14 N ATOM 90 CA ARG A 30 -4.917 1.725 -2.345 1.00 0.83 C ATOM 91 C ARG A 30 -3.440 1.681 -1.921 1.00 0.77 C ATOM 92 O ARG A 30 -3.086 2.031 -0.802 1.00 1.19 O ATOM 93 CB ARG A 30 -5.104 2.872 -3.347 1.00 1.44 C ATOM 94 CG ARG A 30 -6.321 2.730 -4.249 1.00 2.12 C ATOM 95 CD ARG A 30 -6.149 3.516 -5.538 1.00 2.57 C ATOM 96 NE ARG A 30 -7.300 3.371 -6.425 1.00 3.02 N ATOM 97 CZ ARG A 30 -7.388 3.947 -7.620 1.00 3.70 C ATOM 98 NH1 ARG A 30 -6.394 4.701 -8.071 1.00 4.01 N ATOM 99 NH2 ARG A 30 -8.469 3.769 -8.366 1.00 4.42 N ATOM 0 H ARG A 30 -5.306 2.078 -0.315 1.00 1.14 H new ATOM 0 HA ARG A 30 -5.186 0.779 -2.815 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -5.183 3.809 -2.796 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -4.212 2.943 -3.970 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -6.483 1.677 -4.481 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -7.209 3.080 -3.723 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -6.003 4.570 -5.303 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -5.250 3.177 -6.052 1.00 2.57 H new ATOM 0 HE ARG A 30 -8.081 2.795 -6.110 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -5.560 4.840 -7.501 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -6.464 5.142 -8.988 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -9.235 3.189 -8.024 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -8.535 4.212 -9.283 1.00 4.42 H new ATOM 113 N LEU A 31 -2.582 1.261 -2.836 1.00 0.67 N ATOM 114 CA LEU A 31 -1.145 1.190 -2.579 1.00 0.66 C ATOM 115 C LEU A 31 -0.585 2.581 -2.336 1.00 0.79 C ATOM 116 O LEU A 31 -0.896 3.516 -3.072 1.00 1.21 O ATOM 117 CB LEU A 31 -0.474 0.523 -3.773 1.00 0.92 C ATOM 118 CG LEU A 31 1.043 0.681 -3.955 1.00 0.91 C ATOM 119 CD1 LEU A 31 1.768 0.888 -2.642 1.00 1.49 C ATOM 120 CD2 LEU A 31 1.602 -0.545 -4.660 1.00 1.39 C ATOM 0 H LEU A 31 -2.854 0.961 -3.772 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.950 0.600 -1.683 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -0.690 -0.544 -3.719 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.955 0.901 -4.675 1.00 0.92 H new ATOM 0 HG LEU A 31 1.206 1.574 -4.559 1.00 0.91 H new ATOM 0 HD11 LEU A 31 2.837 0.994 -2.829 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.393 1.790 -2.158 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.597 0.030 -1.992 1.00 1.49 H new ATOM 0 HD21 LEU A 31 2.678 -0.432 -4.789 1.00 1.39 H new ATOM 0 HD22 LEU A 31 1.400 -1.433 -4.061 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.129 -0.650 -5.636 1.00 1.39 H new ATOM 132 N SER A 32 0.217 2.724 -1.288 1.00 0.65 N ATOM 133 CA SER A 32 0.780 4.018 -0.954 1.00 0.88 C ATOM 134 C SER A 32 2.263 3.951 -0.634 1.00 0.67 C ATOM 135 O SER A 32 2.806 2.895 -0.308 1.00 1.05 O ATOM 136 CB SER A 32 0.041 4.607 0.237 1.00 1.42 C ATOM 137 OG SER A 32 -0.442 3.588 1.097 1.00 1.57 O ATOM 0 H SER A 32 0.488 1.965 -0.662 1.00 0.65 H new ATOM 0 HA SER A 32 0.662 4.650 -1.834 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.707 5.268 0.791 1.00 1.42 H new ATOM 0 HB3 SER A 32 -0.792 5.216 -0.114 1.00 1.42 H new ATOM 0 HG SER A 32 0.130 2.796 1.020 1.00 1.57 H new ATOM 143 N VAL A 33 2.896 5.113 -0.703 1.00 0.65 N ATOM 144 CA VAL A 33 4.308 5.252 -0.400 1.00 0.78 C ATOM 145 C VAL A 33 4.498 6.413 0.567 1.00 0.74 C ATOM 146 O VAL A 33 4.354 7.576 0.194 1.00 1.28 O ATOM 147 CB VAL A 33 5.133 5.503 -1.673 1.00 1.59 C ATOM 148 CG1 VAL A 33 5.211 4.242 -2.516 1.00 2.53 C ATOM 149 CG2 VAL A 33 4.531 6.639 -2.476 1.00 2.05 C ATOM 0 H VAL A 33 2.442 5.986 -0.971 1.00 0.65 H new ATOM 0 HA VAL A 33 4.657 4.323 0.050 1.00 0.78 H new ATOM 0 HB VAL A 33 6.144 5.783 -1.379 1.00 1.59 H new ATOM 0 HG11 VAL A 33 5.799 4.439 -3.412 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.685 3.448 -1.939 1.00 2.53 H new ATOM 0 HG13 VAL A 33 4.206 3.933 -2.802 1.00 2.53 H new ATOM 0 HG21 VAL A 33 5.126 6.805 -3.374 1.00 2.05 H new ATOM 0 HG22 VAL A 33 3.510 6.383 -2.759 1.00 2.05 H new ATOM 0 HG23 VAL A 33 4.524 7.547 -1.873 1.00 2.05 H new ATOM 159 N PHE A 34 4.796 6.096 1.817 1.00 0.53 N ATOM 160 CA PHE A 34 4.971 7.124 2.830 1.00 0.78 C ATOM 161 C PHE A 34 6.398 7.160 3.348 1.00 0.52 C ATOM 162 O PHE A 34 7.170 6.234 3.128 1.00 0.90 O ATOM 163 CB PHE A 34 3.991 6.904 3.983 1.00 1.43 C ATOM 164 CG PHE A 34 2.617 7.449 3.708 1.00 1.74 C ATOM 165 CD1 PHE A 34 1.738 6.764 2.886 1.00 1.73 C ATOM 166 CD2 PHE A 34 2.209 8.649 4.270 1.00 2.51 C ATOM 167 CE1 PHE A 34 0.477 7.266 2.628 1.00 2.58 C ATOM 168 CE2 PHE A 34 0.948 9.154 4.016 1.00 3.37 C ATOM 169 CZ PHE A 34 0.081 8.462 3.194 1.00 3.43 C ATOM 0 H PHE A 34 4.921 5.141 2.153 1.00 0.53 H new ATOM 0 HA PHE A 34 4.763 8.088 2.366 1.00 0.78 H new ATOM 0 HB2 PHE A 34 3.916 5.836 4.188 1.00 1.43 H new ATOM 0 HB3 PHE A 34 4.388 7.375 4.883 1.00 1.43 H new ATOM 0 HD1 PHE A 34 2.041 5.827 2.442 1.00 1.73 H new ATOM 0 HD2 PHE A 34 2.884 9.195 4.913 1.00 2.51 H new ATOM 0 HE1 PHE A 34 -0.199 6.723 1.984 1.00 2.58 H new ATOM 0 HE2 PHE A 34 0.641 10.089 4.460 1.00 3.37 H new ATOM 0 HZ PHE A 34 -0.905 8.855 2.994 1.00 3.43 H new ATOM 179 N ARG A 35 6.743 8.249 4.023 1.00 0.77 N ATOM 180 CA ARG A 35 8.083 8.419 4.560 1.00 0.81 C ATOM 181 C ARG A 35 8.206 7.832 5.962 1.00 0.85 C ATOM 182 O ARG A 35 7.624 8.342 6.919 1.00 1.32 O ATOM 183 CB ARG A 35 8.459 9.900 4.584 1.00 1.41 C ATOM 184 CG ARG A 35 9.834 10.169 5.173 1.00 2.08 C ATOM 185 CD ARG A 35 10.105 11.659 5.293 1.00 2.72 C ATOM 186 NE ARG A 35 11.455 11.931 5.779 1.00 3.21 N ATOM 187 CZ ARG A 35 12.002 13.142 5.790 1.00 3.85 C ATOM 188 NH1 ARG A 35 11.314 14.187 5.352 1.00 4.13 N ATOM 189 NH2 ARG A 35 13.238 13.309 6.241 1.00 4.60 N ATOM 0 H ARG A 35 6.111 9.027 4.211 1.00 0.77 H new ATOM 0 HA ARG A 35 8.770 7.880 3.907 1.00 0.81 H new ATOM 0 HB2 ARG A 35 8.426 10.291 3.567 1.00 1.41 H new ATOM 0 HB3 ARG A 35 7.713 10.447 5.161 1.00 1.41 H new ATOM 0 HG2 ARG A 35 9.907 9.704 6.156 1.00 2.08 H new ATOM 0 HG3 ARG A 35 10.597 9.709 4.545 1.00 2.08 H new ATOM 0 HD2 ARG A 35 9.967 12.132 4.321 1.00 2.72 H new ATOM 0 HD3 ARG A 35 9.378 12.106 5.971 1.00 2.72 H new ATOM 0 HE ARG A 35 12.008 11.149 6.129 1.00 3.21 H new ATOM 0 HH11 ARG A 35 10.363 14.062 5.006 1.00 4.13 H new ATOM 0 HH12 ARG A 35 11.736 15.116 5.361 1.00 4.13 H new ATOM 0 HH21 ARG A 35 13.770 12.507 6.580 1.00 4.60 H new ATOM 0 HH22 ARG A 35 13.657 14.239 6.249 1.00 4.60 H new ATOM 203 N SER A 36 8.990 6.768 6.068 1.00 0.55 N ATOM 204 CA SER A 36 9.232 6.105 7.344 1.00 0.74 C ATOM 205 C SER A 36 10.208 6.922 8.186 1.00 0.79 C ATOM 206 O SER A 36 11.410 6.658 8.184 1.00 1.07 O ATOM 207 CB SER A 36 9.815 4.707 7.109 1.00 0.84 C ATOM 208 OG SER A 36 9.271 3.767 8.016 1.00 1.50 O ATOM 0 H SER A 36 9.474 6.341 5.278 1.00 0.55 H new ATOM 0 HA SER A 36 8.283 6.018 7.874 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.609 4.391 6.086 1.00 0.84 H new ATOM 0 HB3 SER A 36 10.899 4.739 7.220 1.00 0.84 H new ATOM 0 HG SER A 36 8.831 3.048 7.517 1.00 1.50 H new ATOM 214 N ASN A 37 9.688 7.912 8.905 1.00 1.08 N ATOM 215 CA ASN A 37 10.520 8.766 9.750 1.00 1.18 C ATOM 216 C ASN A 37 11.645 9.415 8.943 1.00 1.17 C ATOM 217 O ASN A 37 11.509 10.544 8.470 1.00 1.97 O ATOM 218 CB ASN A 37 11.101 7.957 10.913 1.00 1.30 C ATOM 219 CG ASN A 37 10.032 7.463 11.867 1.00 1.89 C ATOM 220 OD1 ASN A 37 9.487 6.372 11.696 1.00 2.57 O ATOM 221 ND2 ASN A 37 9.727 8.265 12.881 1.00 2.42 N ATOM 0 H ASN A 37 8.695 8.144 8.920 1.00 1.08 H new ATOM 0 HA ASN A 37 9.890 9.560 10.150 1.00 1.18 H new ATOM 0 HB2 ASN A 37 11.653 7.104 10.518 1.00 1.30 H new ATOM 0 HB3 ASN A 37 11.815 8.574 11.460 1.00 1.30 H new ATOM 0 HD21 ASN A 37 9.016 7.985 13.556 1.00 2.42 H new ATOM 0 HD22 ASN A 37 10.204 9.161 12.984 1.00 2.42 H new ATOM 228 N LYS A 38 12.756 8.698 8.788 1.00 0.96 N ATOM 229 CA LYS A 38 13.901 9.206 8.039 1.00 0.85 C ATOM 230 C LYS A 38 14.030 8.490 6.701 1.00 0.75 C ATOM 231 O LYS A 38 14.504 9.060 5.718 1.00 1.11 O ATOM 232 CB LYS A 38 15.188 9.003 8.842 1.00 0.86 C ATOM 233 CG LYS A 38 15.139 9.596 10.242 1.00 1.05 C ATOM 234 CD LYS A 38 15.064 11.114 10.204 1.00 1.75 C ATOM 235 CE LYS A 38 15.077 11.705 11.604 1.00 2.20 C ATOM 236 NZ LYS A 38 16.291 11.300 12.369 1.00 2.60 N ATOM 0 H LYS A 38 12.887 7.762 9.172 1.00 0.96 H new ATOM 0 HA LYS A 38 13.743 10.270 7.861 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.394 7.935 8.917 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.019 9.450 8.297 1.00 0.86 H new ATOM 0 HG2 LYS A 38 14.274 9.202 10.775 1.00 1.05 H new ATOM 0 HG3 LYS A 38 16.024 9.289 10.799 1.00 1.05 H new ATOM 0 HD2 LYS A 38 15.906 11.507 9.634 1.00 1.75 H new ATOM 0 HD3 LYS A 38 14.156 11.422 9.686 1.00 1.75 H new ATOM 0 HE2 LYS A 38 15.035 12.792 11.539 1.00 2.20 H new ATOM 0 HE3 LYS A 38 14.185 11.383 12.142 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 16.659 12.118 12.894 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 16.044 10.542 13.037 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 17.018 10.956 11.710 1.00 2.60 H new ATOM 250 N HIS A 39 13.626 7.228 6.684 1.00 0.56 N ATOM 251 CA HIS A 39 13.712 6.403 5.490 1.00 0.60 C ATOM 252 C HIS A 39 12.335 6.127 4.898 1.00 0.52 C ATOM 253 O HIS A 39 11.331 6.287 5.572 1.00 0.67 O ATOM 254 CB HIS A 39 14.417 5.129 5.856 1.00 0.80 C ATOM 255 CG HIS A 39 15.844 5.378 6.194 1.00 1.26 C ATOM 256 ND1 HIS A 39 16.554 4.560 7.020 1.00 1.26 N ATOM 257 CD2 HIS A 39 16.671 6.399 5.865 1.00 1.99 C ATOM 258 CE1 HIS A 39 17.765 5.062 7.206 1.00 1.96 C ATOM 259 NE2 HIS A 39 17.860 6.179 6.512 1.00 2.40 N ATOM 0 H HIS A 39 13.231 6.750 7.494 1.00 0.56 H new ATOM 0 HA HIS A 39 14.274 6.930 4.719 1.00 0.60 H new ATOM 0 HB2 HIS A 39 13.916 4.665 6.705 1.00 0.80 H new ATOM 0 HB3 HIS A 39 14.355 4.425 5.026 1.00 0.80 H new ATOM 0 HD2 HIS A 39 16.438 7.230 5.216 1.00 1.99 H new ATOM 0 HE1 HIS A 39 18.541 4.631 7.820 1.00 1.96 H new ATOM 0 HE2 HIS A 39 18.682 6.780 6.464 1.00 2.40 H new ATOM 268 N ILE A 40 12.301 5.749 3.623 1.00 0.50 N ATOM 269 CA ILE A 40 11.043 5.493 2.915 1.00 0.51 C ATOM 270 C ILE A 40 10.281 4.271 3.431 1.00 0.46 C ATOM 271 O ILE A 40 10.874 3.252 3.786 1.00 0.68 O ATOM 272 CB ILE A 40 11.295 5.301 1.410 1.00 0.60 C ATOM 273 CG1 ILE A 40 12.080 6.482 0.849 1.00 1.21 C ATOM 274 CG2 ILE A 40 9.984 5.135 0.661 1.00 1.29 C ATOM 275 CD1 ILE A 40 11.487 7.827 1.207 1.00 2.23 C ATOM 0 H ILE A 40 13.135 5.611 3.053 1.00 0.50 H new ATOM 0 HA ILE A 40 10.428 6.373 3.101 1.00 0.51 H new ATOM 0 HB ILE A 40 11.883 4.393 1.275 1.00 0.60 H new ATOM 0 HG12 ILE A 40 13.104 6.436 1.219 1.00 1.21 H new ATOM 0 HG13 ILE A 40 12.129 6.393 -0.236 1.00 1.21 H new ATOM 0 HG21 ILE A 40 10.187 5.001 -0.402 1.00 1.29 H new ATOM 0 HG22 ILE A 40 9.455 4.262 1.043 1.00 1.29 H new ATOM 0 HG23 ILE A 40 9.369 6.023 0.804 1.00 1.29 H new ATOM 0 HD11 ILE A 40 12.097 8.620 0.775 1.00 2.23 H new ATOM 0 HD12 ILE A 40 10.473 7.894 0.813 1.00 2.23 H new ATOM 0 HD13 ILE A 40 11.463 7.937 2.291 1.00 2.23 H new ATOM 287 N TYR A 41 8.950 4.391 3.443 1.00 0.36 N ATOM 288 CA TYR A 41 8.068 3.328 3.877 1.00 0.31 C ATOM 289 C TYR A 41 7.184 2.844 2.737 1.00 0.36 C ATOM 290 O TYR A 41 6.361 3.596 2.215 1.00 0.46 O ATOM 291 CB TYR A 41 7.165 3.825 5.000 1.00 0.31 C ATOM 292 CG TYR A 41 6.621 2.718 5.867 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.067 1.559 5.320 1.00 0.30 C ATOM 294 CD2 TYR A 41 6.687 2.826 7.243 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.604 0.549 6.131 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.222 1.821 8.059 1.00 0.57 C ATOM 297 CZ TYR A 41 5.682 0.681 7.501 1.00 0.53 C ATOM 298 OH TYR A 41 5.221 -0.329 8.314 1.00 0.63 O ATOM 0 H TYR A 41 8.462 5.237 3.148 1.00 0.36 H new ATOM 0 HA TYR A 41 8.693 2.505 4.223 1.00 0.31 H new ATOM 0 HB2 TYR A 41 7.724 4.523 5.623 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.332 4.380 4.568 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.001 1.454 4.247 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.111 3.715 7.686 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.181 -0.344 5.696 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.280 1.924 9.133 1.00 0.57 H new ATOM 0 HH TYR A 41 5.712 -1.155 8.120 1.00 0.63 H new ATOM 308 N ALA A 42 7.314 1.572 2.398 1.00 0.47 N ATOM 309 CA ALA A 42 6.480 0.972 1.371 1.00 0.60 C ATOM 310 C ALA A 42 5.268 0.343 2.049 1.00 0.48 C ATOM 311 O ALA A 42 5.422 -0.547 2.885 1.00 0.57 O ATOM 312 CB ALA A 42 7.261 -0.078 0.592 1.00 0.92 C ATOM 0 H ALA A 42 7.990 0.935 2.820 1.00 0.47 H new ATOM 0 HA ALA A 42 6.157 1.735 0.662 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.619 -0.516 -0.173 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.124 0.388 0.117 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.599 -0.859 1.273 1.00 0.92 H new ATOM 318 N GLN A 43 4.072 0.820 1.728 1.00 0.45 N ATOM 319 CA GLN A 43 2.868 0.296 2.356 1.00 0.39 C ATOM 320 C GLN A 43 1.724 0.169 1.353 1.00 0.40 C ATOM 321 O GLN A 43 1.188 1.176 0.893 1.00 0.51 O ATOM 322 CB GLN A 43 2.460 1.201 3.513 1.00 0.39 C ATOM 323 CG GLN A 43 2.420 2.676 3.155 1.00 0.99 C ATOM 324 CD GLN A 43 1.988 3.544 4.321 1.00 1.33 C ATOM 325 OE1 GLN A 43 2.953 3.985 5.119 1.00 2.05 O flip ATOM 326 NE2 GLN A 43 0.800 3.811 4.504 1.00 1.85 N flip ATOM 0 H GLN A 43 3.911 1.560 1.045 1.00 0.45 H new ATOM 0 HA GLN A 43 3.086 -0.703 2.734 1.00 0.39 H new ATOM 0 HB2 GLN A 43 1.476 0.897 3.870 1.00 0.39 H new ATOM 0 HB3 GLN A 43 3.157 1.056 4.338 1.00 0.39 H new ATOM 0 HG2 GLN A 43 3.407 2.992 2.817 1.00 0.99 H new ATOM 0 HG3 GLN A 43 1.735 2.826 2.321 1.00 0.99 H new ATOM 0 HE21 GLN A 43 0.092 3.450 3.865 1.00 1.85 H new ATOM 0 HE22 GLN A 43 0.524 4.393 5.295 1.00 1.85 H new ATOM 335 N ILE A 44 1.349 -1.066 1.008 1.00 0.43 N ATOM 336 CA ILE A 44 0.262 -1.270 0.050 1.00 0.45 C ATOM 337 C ILE A 44 -1.041 -1.610 0.755 1.00 0.48 C ATOM 338 O ILE A 44 -1.187 -2.706 1.287 1.00 0.60 O ATOM 339 CB ILE A 44 0.581 -2.393 -0.973 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.035 -2.294 -1.438 1.00 0.65 C ATOM 341 CG2 ILE A 44 -0.374 -2.334 -2.175 1.00 0.51 C ATOM 342 CD1 ILE A 44 2.502 -3.502 -2.219 1.00 0.86 C ATOM 0 H ILE A 44 1.772 -1.921 1.369 1.00 0.43 H new ATOM 0 HA ILE A 44 0.156 -0.327 -0.486 1.00 0.45 H new ATOM 0 HB ILE A 44 0.438 -3.353 -0.477 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.150 -1.404 -2.057 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.678 -2.163 -0.568 1.00 0.65 H new ATOM 0 HG21 ILE A 44 -0.127 -3.132 -2.875 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -1.401 -2.458 -1.830 1.00 0.51 H new ATOM 0 HG23 ILE A 44 -0.273 -1.370 -2.673 1.00 0.51 H new ATOM 0 HD11 ILE A 44 3.541 -3.363 -2.517 1.00 0.86 H new ATOM 0 HD12 ILE A 44 2.419 -4.392 -1.596 1.00 0.86 H new ATOM 0 HD13 ILE A 44 1.883 -3.622 -3.108 1.00 0.86 H new ATOM 354 N ILE A 45 -2.005 -0.685 0.726 1.00 0.52 N ATOM 355 CA ILE A 45 -3.301 -0.951 1.336 1.00 0.56 C ATOM 356 C ILE A 45 -4.307 -1.238 0.235 1.00 0.54 C ATOM 357 O ILE A 45 -4.489 -0.441 -0.695 1.00 0.63 O ATOM 358 CB ILE A 45 -3.794 0.171 2.297 1.00 0.69 C ATOM 359 CG1 ILE A 45 -5.300 0.052 2.583 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.487 1.549 1.754 1.00 0.82 C ATOM 361 CD1 ILE A 45 -5.751 -1.347 2.937 1.00 1.19 C ATOM 0 H ILE A 45 -1.912 0.235 0.295 1.00 0.52 H new ATOM 0 HA ILE A 45 -3.192 -1.824 1.980 1.00 0.56 H new ATOM 0 HB ILE A 45 -3.250 0.037 3.232 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.558 0.724 3.402 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.853 0.390 1.707 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.847 2.304 2.453 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.410 1.658 1.625 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -3.983 1.680 0.792 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -6.825 -1.347 3.124 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -5.527 -2.022 2.111 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -5.227 -1.683 3.832 1.00 1.19 H new ATOM 373 N ASP A 46 -4.914 -2.412 0.341 1.00 0.53 N ATOM 374 CA ASP A 46 -5.852 -2.902 -0.656 1.00 0.59 C ATOM 375 C ASP A 46 -6.841 -1.852 -1.097 1.00 0.59 C ATOM 376 O ASP A 46 -6.899 -0.761 -0.544 1.00 0.62 O ATOM 377 CB ASP A 46 -6.626 -4.082 -0.083 1.00 0.68 C ATOM 378 CG ASP A 46 -7.409 -3.709 1.159 1.00 0.66 C ATOM 379 OD1 ASP A 46 -8.575 -3.281 1.018 1.00 0.74 O ATOM 380 OD2 ASP A 46 -6.859 -3.845 2.272 1.00 0.89 O ATOM 0 H ASP A 46 -4.769 -3.051 1.122 1.00 0.53 H new ATOM 0 HA ASP A 46 -5.265 -3.194 -1.527 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.311 -4.466 -0.839 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.931 -4.887 0.157 1.00 0.68 H new ATOM 385 N ASP A 47 -7.593 -2.202 -2.132 1.00 0.86 N ATOM 386 CA ASP A 47 -8.584 -1.307 -2.706 1.00 0.96 C ATOM 387 C ASP A 47 -9.997 -1.897 -2.625 1.00 1.01 C ATOM 388 O ASP A 47 -10.633 -1.832 -1.573 1.00 0.96 O ATOM 389 CB ASP A 47 -8.206 -0.953 -4.150 1.00 1.17 C ATOM 390 CG ASP A 47 -7.602 -2.126 -4.897 1.00 1.66 C ATOM 391 OD1 ASP A 47 -8.248 -3.194 -4.950 1.00 2.45 O ATOM 392 OD2 ASP A 47 -6.482 -1.975 -5.428 1.00 1.96 O ATOM 0 H ASP A 47 -7.533 -3.109 -2.594 1.00 0.86 H new ATOM 0 HA ASP A 47 -8.592 -0.389 -2.118 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -9.094 -0.607 -4.680 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -7.496 -0.126 -4.144 1.00 1.17 H new ATOM 397 N THR A 48 -10.497 -2.459 -3.728 1.00 1.33 N ATOM 398 CA THR A 48 -11.838 -3.033 -3.745 1.00 1.52 C ATOM 399 C THR A 48 -11.803 -4.543 -3.529 1.00 1.57 C ATOM 400 O THR A 48 -12.774 -5.132 -3.057 1.00 1.64 O ATOM 401 CB THR A 48 -12.532 -2.716 -5.071 1.00 1.97 C ATOM 402 OG1 THR A 48 -11.894 -3.386 -6.143 1.00 2.28 O ATOM 403 CG2 THR A 48 -12.548 -1.238 -5.399 1.00 2.12 C ATOM 0 H THR A 48 -9.995 -2.527 -4.613 1.00 1.33 H new ATOM 0 HA THR A 48 -12.400 -2.586 -2.925 1.00 1.52 H new ATOM 0 HB THR A 48 -13.560 -3.056 -4.948 1.00 1.97 H new ATOM 0 HG1 THR A 48 -12.353 -3.172 -6.982 1.00 2.28 H new ATOM 0 HG21 THR A 48 -13.054 -1.082 -6.352 1.00 2.12 H new ATOM 0 HG22 THR A 48 -13.076 -0.697 -4.614 1.00 2.12 H new ATOM 0 HG23 THR A 48 -11.524 -0.869 -5.468 1.00 2.12 H new ATOM 411 N LYS A 49 -10.687 -5.167 -3.888 1.00 1.64 N ATOM 412 CA LYS A 49 -10.552 -6.611 -3.739 1.00 1.82 C ATOM 413 C LYS A 49 -10.319 -7.001 -2.281 1.00 2.06 C ATOM 414 O LYS A 49 -11.192 -7.610 -1.664 1.00 2.71 O ATOM 415 CB LYS A 49 -9.420 -7.147 -4.620 1.00 2.07 C ATOM 416 CG LYS A 49 -9.811 -8.397 -5.392 1.00 2.73 C ATOM 417 CD LYS A 49 -10.398 -9.458 -4.475 1.00 3.33 C ATOM 418 CE LYS A 49 -10.932 -10.644 -5.263 1.00 3.64 C ATOM 419 NZ LYS A 49 -11.572 -11.656 -4.377 1.00 4.26 N ATOM 0 H LYS A 49 -9.869 -4.701 -4.281 1.00 1.64 H new ATOM 0 HA LYS A 49 -11.489 -7.063 -4.064 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -9.116 -6.372 -5.324 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -8.554 -7.368 -3.996 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -10.538 -8.138 -6.162 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -8.936 -8.799 -5.902 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -9.634 -9.799 -3.776 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -11.202 -9.023 -3.882 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -11.657 -10.295 -5.998 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -10.116 -11.110 -5.816 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -11.923 -12.448 -4.952 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -10.874 -12.008 -3.691 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -12.367 -11.219 -3.868 1.00 4.26 H new ATOM 433 N SER A 50 -9.142 -6.626 -1.746 1.00 1.82 N ATOM 434 CA SER A 50 -8.745 -6.906 -0.341 1.00 2.14 C ATOM 435 C SER A 50 -7.260 -7.270 -0.226 1.00 1.89 C ATOM 436 O SER A 50 -6.883 -8.078 0.621 1.00 2.60 O ATOM 437 CB SER A 50 -9.566 -8.036 0.297 1.00 2.65 C ATOM 438 OG SER A 50 -9.548 -9.200 -0.510 1.00 3.31 O ATOM 0 H SER A 50 -8.432 -6.118 -2.273 1.00 1.82 H new ATOM 0 HA SER A 50 -8.942 -5.978 0.196 1.00 2.14 H new ATOM 0 HB2 SER A 50 -9.165 -8.268 1.284 1.00 2.65 H new ATOM 0 HB3 SER A 50 -10.595 -7.705 0.440 1.00 2.65 H new ATOM 0 HG SER A 50 -10.356 -9.226 -1.065 1.00 3.31 H new ATOM 444 N ALA A 51 -6.423 -6.669 -1.064 1.00 1.33 N ATOM 445 CA ALA A 51 -4.988 -6.926 -1.034 1.00 1.15 C ATOM 446 C ALA A 51 -4.418 -6.730 0.368 1.00 1.13 C ATOM 447 O ALA A 51 -5.164 -6.524 1.327 1.00 1.56 O ATOM 448 CB ALA A 51 -4.289 -6.007 -2.023 1.00 1.20 C ATOM 0 H ALA A 51 -6.715 -5.998 -1.775 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.816 -7.964 -1.317 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -3.216 -6.198 -2.002 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.671 -6.194 -3.027 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.478 -4.969 -1.751 1.00 1.20 H new ATOM 454 N THR A 52 -3.093 -6.784 0.490 1.00 1.05 N ATOM 455 CA THR A 52 -2.461 -6.593 1.784 1.00 1.07 C ATOM 456 C THR A 52 -2.717 -5.175 2.266 1.00 0.91 C ATOM 457 O THR A 52 -2.971 -4.280 1.464 1.00 1.28 O ATOM 458 CB THR A 52 -0.963 -6.910 1.748 1.00 1.64 C ATOM 459 OG1 THR A 52 -0.754 -8.269 1.406 1.00 2.30 O ATOM 460 CG2 THR A 52 -0.261 -6.675 3.068 1.00 2.34 C ATOM 0 H THR A 52 -2.449 -6.956 -0.282 1.00 1.05 H new ATOM 0 HA THR A 52 -2.904 -7.296 2.490 1.00 1.07 H new ATOM 0 HB THR A 52 -0.546 -6.231 1.004 1.00 1.64 H new ATOM 0 HG1 THR A 52 0.166 -8.389 1.091 1.00 2.30 H new ATOM 0 HG21 THR A 52 0.796 -6.921 2.967 1.00 2.34 H new ATOM 0 HG22 THR A 52 -0.365 -5.628 3.354 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.708 -7.307 3.835 1.00 2.34 H new ATOM 468 N ILE A 53 -2.704 -4.983 3.574 1.00 1.13 N ATOM 469 CA ILE A 53 -2.986 -3.675 4.150 1.00 1.60 C ATOM 470 C ILE A 53 -1.713 -2.960 4.582 1.00 1.49 C ATOM 471 O ILE A 53 -1.719 -2.190 5.540 1.00 2.03 O ATOM 472 CB ILE A 53 -3.937 -3.804 5.356 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.957 -4.917 5.095 1.00 2.64 C ATOM 474 CG2 ILE A 53 -4.635 -2.481 5.630 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.990 -5.069 6.190 1.00 2.95 C ATOM 0 H ILE A 53 -2.502 -5.713 4.257 1.00 1.13 H new ATOM 0 HA ILE A 53 -3.465 -3.081 3.372 1.00 1.60 H new ATOM 0 HB ILE A 53 -3.356 -4.064 6.241 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -5.467 -4.716 4.153 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -4.427 -5.862 4.975 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -5.302 -2.592 6.485 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -3.891 -1.715 5.848 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -5.213 -2.186 4.754 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -6.676 -5.876 5.933 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -5.491 -5.302 7.131 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.548 -4.138 6.296 1.00 2.95 H new ATOM 487 N VAL A 54 -0.624 -3.230 3.867 1.00 0.90 N ATOM 488 CA VAL A 54 0.682 -2.626 4.163 1.00 0.93 C ATOM 489 C VAL A 54 1.784 -3.302 3.342 1.00 0.65 C ATOM 490 O VAL A 54 1.499 -4.070 2.427 1.00 0.59 O ATOM 491 CB VAL A 54 1.042 -2.735 5.674 1.00 1.31 C ATOM 492 CG1 VAL A 54 0.669 -1.460 6.413 1.00 1.86 C ATOM 493 CG2 VAL A 54 0.378 -3.948 6.318 1.00 2.03 C ATOM 0 H VAL A 54 -0.616 -3.868 3.071 1.00 0.90 H new ATOM 0 HA VAL A 54 0.611 -1.571 3.897 1.00 0.93 H new ATOM 0 HB VAL A 54 2.121 -2.869 5.747 1.00 1.31 H new ATOM 0 HG11 VAL A 54 0.930 -1.560 7.466 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.212 -0.618 5.983 1.00 1.86 H new ATOM 0 HG13 VAL A 54 -0.403 -1.286 6.320 1.00 1.86 H new ATOM 0 HG21 VAL A 54 0.650 -3.995 7.373 1.00 2.03 H new ATOM 0 HG22 VAL A 54 -0.705 -3.862 6.226 1.00 2.03 H new ATOM 0 HG23 VAL A 54 0.714 -4.856 5.816 1.00 2.03 H new ATOM 503 N SER A 55 3.040 -3.022 3.686 1.00 0.71 N ATOM 504 CA SER A 55 4.182 -3.625 3.013 1.00 0.61 C ATOM 505 C SER A 55 5.316 -3.800 4.015 1.00 0.71 C ATOM 506 O SER A 55 5.346 -4.782 4.757 1.00 0.96 O ATOM 507 CB SER A 55 4.605 -2.821 1.773 1.00 0.64 C ATOM 508 OG SER A 55 4.307 -3.532 0.584 1.00 1.38 O ATOM 0 H SER A 55 3.290 -2.375 4.434 1.00 0.71 H new ATOM 0 HA SER A 55 3.900 -4.609 2.638 1.00 0.61 H new ATOM 0 HB2 SER A 55 4.091 -1.860 1.765 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.674 -2.611 1.818 1.00 0.64 H new ATOM 0 HG SER A 55 4.723 -3.080 -0.180 1.00 1.38 H new ATOM 514 N ALA A 56 6.220 -2.849 4.065 1.00 0.63 N ATOM 515 CA ALA A 56 7.325 -2.905 5.016 1.00 0.77 C ATOM 516 C ALA A 56 8.278 -1.727 4.854 1.00 0.58 C ATOM 517 O ALA A 56 8.380 -1.131 3.780 1.00 0.59 O ATOM 518 CB ALA A 56 8.075 -4.216 4.893 1.00 1.17 C ATOM 0 H ALA A 56 6.219 -2.026 3.463 1.00 0.63 H new ATOM 0 HA ALA A 56 6.893 -2.841 6.015 1.00 0.77 H new ATOM 0 HB1 ALA A 56 8.894 -4.235 5.612 1.00 1.17 H new ATOM 0 HB2 ALA A 56 7.396 -5.044 5.095 1.00 1.17 H new ATOM 0 HB3 ALA A 56 8.475 -4.313 3.884 1.00 1.17 H new ATOM 524 N SER A 57 8.978 -1.409 5.934 1.00 0.52 N ATOM 525 CA SER A 57 9.935 -0.317 5.940 1.00 0.47 C ATOM 526 C SER A 57 10.938 -0.448 7.056 1.00 0.59 C ATOM 527 O SER A 57 10.896 -1.357 7.885 1.00 0.87 O ATOM 528 CB SER A 57 9.237 1.023 6.075 1.00 0.51 C ATOM 529 OG SER A 57 8.790 1.225 7.403 1.00 1.46 O ATOM 0 H SER A 57 8.898 -1.899 6.825 1.00 0.52 H new ATOM 0 HA SER A 57 10.459 -0.368 4.986 1.00 0.47 H new ATOM 0 HB2 SER A 57 9.919 1.824 5.790 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.390 1.068 5.391 1.00 0.51 H new ATOM 0 HG SER A 57 7.812 1.174 7.430 1.00 1.46 H new ATOM 535 N THR A 58 11.841 0.505 7.036 1.00 0.75 N ATOM 536 CA THR A 58 12.923 0.625 7.990 1.00 0.94 C ATOM 537 C THR A 58 12.492 0.260 9.406 1.00 1.00 C ATOM 538 O THR A 58 13.292 -0.245 10.195 1.00 1.41 O ATOM 539 CB THR A 58 13.419 2.047 7.884 1.00 1.24 C ATOM 540 OG1 THR A 58 12.439 2.973 8.298 1.00 1.39 O ATOM 541 CG2 THR A 58 13.815 2.380 6.474 1.00 1.99 C ATOM 0 H THR A 58 11.844 1.243 6.332 1.00 0.75 H new ATOM 0 HA THR A 58 13.722 -0.081 7.763 1.00 0.94 H new ATOM 0 HB THR A 58 14.286 2.120 8.540 1.00 1.24 H new ATOM 0 HG1 THR A 58 12.868 3.824 8.524 1.00 1.39 H new ATOM 0 HG21 THR A 58 14.168 3.410 6.429 1.00 1.99 H new ATOM 0 HG22 THR A 58 14.611 1.709 6.152 1.00 1.99 H new ATOM 0 HG23 THR A 58 12.953 2.263 5.817 1.00 1.99 H new ATOM 549 N LEU A 59 11.228 0.490 9.719 1.00 1.17 N ATOM 550 CA LEU A 59 10.711 0.161 11.036 1.00 1.34 C ATOM 551 C LEU A 59 9.484 -0.732 10.930 1.00 1.38 C ATOM 552 O LEU A 59 8.369 -0.328 11.259 1.00 1.80 O ATOM 553 CB LEU A 59 10.392 1.433 11.800 1.00 1.71 C ATOM 554 CG LEU A 59 9.228 2.255 11.244 1.00 1.41 C ATOM 555 CD1 LEU A 59 8.208 2.537 12.336 1.00 1.74 C ATOM 556 CD2 LEU A 59 9.737 3.555 10.640 1.00 1.87 C ATOM 0 H LEU A 59 10.544 0.901 9.083 1.00 1.17 H new ATOM 0 HA LEU A 59 11.475 -0.391 11.583 1.00 1.34 H new ATOM 0 HB2 LEU A 59 10.168 1.170 12.834 1.00 1.71 H new ATOM 0 HB3 LEU A 59 11.283 2.060 11.817 1.00 1.71 H new ATOM 0 HG LEU A 59 8.740 1.678 10.458 1.00 1.41 H new ATOM 0 HD11 LEU A 59 7.386 3.123 11.924 1.00 1.74 H new ATOM 0 HD12 LEU A 59 7.822 1.595 12.726 1.00 1.74 H new ATOM 0 HD13 LEU A 59 8.683 3.096 13.142 1.00 1.74 H new ATOM 0 HD21 LEU A 59 8.896 4.128 10.249 1.00 1.87 H new ATOM 0 HD22 LEU A 59 10.248 4.137 11.407 1.00 1.87 H new ATOM 0 HD23 LEU A 59 10.432 3.332 9.831 1.00 1.87 H new ATOM 568 N ASP A 60 9.709 -1.952 10.463 1.00 1.26 N ATOM 569 CA ASP A 60 8.639 -2.927 10.299 1.00 1.54 C ATOM 570 C ASP A 60 9.103 -4.315 10.733 1.00 1.37 C ATOM 571 O ASP A 60 10.295 -4.543 10.944 1.00 1.36 O ATOM 572 CB ASP A 60 8.182 -2.957 8.839 1.00 2.10 C ATOM 573 CG ASP A 60 6.936 -3.795 8.627 1.00 2.87 C ATOM 574 OD1 ASP A 60 5.822 -3.243 8.752 1.00 3.56 O ATOM 575 OD2 ASP A 60 7.075 -5.001 8.337 1.00 3.17 O ATOM 0 H ASP A 60 10.631 -2.292 10.189 1.00 1.26 H new ATOM 0 HA ASP A 60 7.801 -2.633 10.931 1.00 1.54 H new ATOM 0 HB2 ASP A 60 7.990 -1.938 8.503 1.00 2.10 H new ATOM 0 HB3 ASP A 60 8.988 -3.350 8.219 1.00 2.10 H new ATOM 580 N LYS A 61 8.157 -5.239 10.869 1.00 1.65 N ATOM 581 CA LYS A 61 8.471 -6.600 11.278 1.00 1.85 C ATOM 582 C LYS A 61 9.228 -7.338 10.180 1.00 1.82 C ATOM 583 O LYS A 61 10.259 -7.960 10.436 1.00 1.93 O ATOM 584 CB LYS A 61 7.187 -7.354 11.631 1.00 2.35 C ATOM 585 CG LYS A 61 7.433 -8.741 12.199 1.00 2.39 C ATOM 586 CD LYS A 61 6.130 -9.416 12.596 1.00 2.98 C ATOM 587 CE LYS A 61 5.364 -8.589 13.617 1.00 3.67 C ATOM 588 NZ LYS A 61 4.123 -9.277 14.070 1.00 4.11 N ATOM 0 H LYS A 61 7.166 -5.068 10.701 1.00 1.65 H new ATOM 0 HA LYS A 61 9.110 -6.552 12.160 1.00 1.85 H new ATOM 0 HB2 LYS A 61 6.620 -6.769 12.355 1.00 2.35 H new ATOM 0 HB3 LYS A 61 6.569 -7.441 10.737 1.00 2.35 H new ATOM 0 HG2 LYS A 61 7.951 -9.352 11.460 1.00 2.39 H new ATOM 0 HG3 LYS A 61 8.087 -8.669 13.068 1.00 2.39 H new ATOM 0 HD2 LYS A 61 5.512 -9.567 11.711 1.00 2.98 H new ATOM 0 HD3 LYS A 61 6.341 -10.402 13.009 1.00 2.98 H new ATOM 0 HE2 LYS A 61 6.004 -8.390 14.477 1.00 3.67 H new ATOM 0 HE3 LYS A 61 5.106 -7.623 13.182 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 3.630 -8.681 14.765 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 3.501 -9.444 13.254 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 4.371 -10.187 14.508 1.00 4.11 H new ATOM 602 N GLU A 62 8.716 -7.261 8.954 1.00 1.86 N ATOM 603 CA GLU A 62 9.355 -7.922 7.821 1.00 1.95 C ATOM 604 C GLU A 62 10.821 -7.516 7.715 1.00 1.79 C ATOM 605 O GLU A 62 11.694 -8.360 7.508 1.00 1.95 O ATOM 606 CB GLU A 62 8.619 -7.589 6.521 1.00 2.09 C ATOM 607 CG GLU A 62 7.236 -8.216 6.429 1.00 2.41 C ATOM 608 CD GLU A 62 6.587 -8.000 5.075 1.00 3.00 C ATOM 609 OE1 GLU A 62 7.011 -8.657 4.101 1.00 3.14 O ATOM 610 OE2 GLU A 62 5.656 -7.172 4.989 1.00 3.80 O ATOM 0 H GLU A 62 7.865 -6.750 8.721 1.00 1.86 H new ATOM 0 HA GLU A 62 9.306 -8.999 7.985 1.00 1.95 H new ATOM 0 HB2 GLU A 62 8.525 -6.507 6.433 1.00 2.09 H new ATOM 0 HB3 GLU A 62 9.219 -7.927 5.676 1.00 2.09 H new ATOM 0 HG2 GLU A 62 7.312 -9.286 6.625 1.00 2.41 H new ATOM 0 HG3 GLU A 62 6.598 -7.794 7.205 1.00 2.41 H new ATOM 617 N PHE A 63 11.093 -6.221 7.869 1.00 1.55 N ATOM 618 CA PHE A 63 12.462 -5.720 7.804 1.00 1.41 C ATOM 619 C PHE A 63 13.360 -6.511 8.747 1.00 1.54 C ATOM 620 O PHE A 63 14.394 -7.041 8.343 1.00 1.79 O ATOM 621 CB PHE A 63 12.513 -4.231 8.160 1.00 1.10 C ATOM 622 CG PHE A 63 12.495 -3.328 6.959 1.00 0.91 C ATOM 623 CD1 PHE A 63 11.663 -3.606 5.894 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.321 -2.216 6.886 1.00 0.72 C ATOM 625 CE1 PHE A 63 11.647 -2.792 4.779 1.00 1.22 C ATOM 626 CE2 PHE A 63 13.312 -1.403 5.770 1.00 0.88 C ATOM 627 CZ PHE A 63 12.474 -1.689 4.719 1.00 1.02 C ATOM 0 H PHE A 63 10.387 -5.505 8.039 1.00 1.55 H new ATOM 0 HA PHE A 63 12.822 -5.845 6.783 1.00 1.41 H new ATOM 0 HB2 PHE A 63 11.664 -3.989 8.800 1.00 1.10 H new ATOM 0 HB3 PHE A 63 13.415 -4.034 8.739 1.00 1.10 H new ATOM 0 HD1 PHE A 63 11.017 -4.470 5.933 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.978 -1.984 7.711 1.00 0.72 H new ATOM 0 HE1 PHE A 63 10.988 -3.018 3.954 1.00 1.22 H new ATOM 0 HE2 PHE A 63 13.963 -0.543 5.723 1.00 0.88 H new ATOM 0 HZ PHE A 63 12.463 -1.051 3.847 1.00 1.02 H new ATOM 637 N GLY A 64 12.949 -6.588 10.009 1.00 1.52 N ATOM 638 CA GLY A 64 13.714 -7.318 11.005 1.00 1.73 C ATOM 639 C GLY A 64 15.206 -7.067 10.911 1.00 1.66 C ATOM 640 O GLY A 64 15.905 -7.713 10.129 1.00 2.32 O ATOM 0 H GLY A 64 12.095 -6.155 10.361 1.00 1.52 H new ATOM 0 HA2 GLY A 64 13.366 -7.037 11.999 1.00 1.73 H new ATOM 0 HA3 GLY A 64 13.523 -8.385 10.891 1.00 1.73 H new ATOM 644 N LEU A 65 15.693 -6.127 11.712 1.00 1.73 N ATOM 645 CA LEU A 65 17.109 -5.791 11.719 1.00 2.08 C ATOM 646 C LEU A 65 17.568 -5.365 10.328 1.00 2.04 C ATOM 647 O LEU A 65 18.521 -5.918 9.780 1.00 2.62 O ATOM 648 CB LEU A 65 17.935 -6.985 12.204 1.00 2.62 C ATOM 649 CG LEU A 65 19.273 -6.629 12.856 1.00 2.98 C ATOM 650 CD1 LEU A 65 20.199 -5.956 11.855 1.00 3.23 C ATOM 651 CD2 LEU A 65 19.051 -5.733 14.064 1.00 3.51 C ATOM 0 H LEU A 65 15.127 -5.585 12.365 1.00 1.73 H new ATOM 0 HA LEU A 65 17.260 -4.956 12.403 1.00 2.08 H new ATOM 0 HB2 LEU A 65 17.340 -7.552 12.920 1.00 2.62 H new ATOM 0 HB3 LEU A 65 18.126 -7.643 11.356 1.00 2.62 H new ATOM 0 HG LEU A 65 19.748 -7.551 13.190 1.00 2.98 H new ATOM 0 HD11 LEU A 65 21.144 -5.712 12.340 1.00 3.23 H new ATOM 0 HD12 LEU A 65 20.384 -6.631 11.020 1.00 3.23 H new ATOM 0 HD13 LEU A 65 19.734 -5.042 11.486 1.00 3.23 H new ATOM 0 HD21 LEU A 65 20.012 -5.488 14.517 1.00 3.51 H new ATOM 0 HD22 LEU A 65 18.554 -4.815 13.750 1.00 3.51 H new ATOM 0 HD23 LEU A 65 18.428 -6.252 14.792 1.00 3.51 H new ATOM 663 N ASP A 66 16.887 -4.374 9.764 1.00 1.94 N ATOM 664 CA ASP A 66 17.231 -3.869 8.442 1.00 2.04 C ATOM 665 C ASP A 66 18.055 -2.595 8.542 1.00 1.41 C ATOM 666 O ASP A 66 18.293 -1.926 7.536 1.00 1.89 O ATOM 667 CB ASP A 66 15.966 -3.610 7.629 1.00 2.97 C ATOM 668 CG ASP A 66 15.522 -4.833 6.849 1.00 4.03 C ATOM 669 OD1 ASP A 66 16.108 -5.915 7.058 1.00 4.42 O ATOM 670 OD2 ASP A 66 14.586 -4.707 6.032 1.00 4.70 O ATOM 0 H ASP A 66 16.094 -3.905 10.202 1.00 1.94 H new ATOM 0 HA ASP A 66 17.831 -4.626 7.937 1.00 2.04 H new ATOM 0 HB2 ASP A 66 15.164 -3.298 8.298 1.00 2.97 H new ATOM 0 HB3 ASP A 66 16.143 -2.786 6.938 1.00 2.97 H new ATOM 675 N SER A 67 18.484 -2.245 9.757 1.00 1.46 N ATOM 676 CA SER A 67 19.265 -1.035 9.951 1.00 2.04 C ATOM 677 C SER A 67 18.541 0.158 9.350 1.00 2.10 C ATOM 678 O SER A 67 19.164 1.160 8.996 1.00 2.64 O ATOM 679 CB SER A 67 20.612 -1.181 9.275 1.00 2.55 C ATOM 680 OG SER A 67 21.405 -2.175 9.902 1.00 2.95 O ATOM 0 H SER A 67 18.304 -2.779 10.607 1.00 1.46 H new ATOM 0 HA SER A 67 19.401 -0.877 11.021 1.00 2.04 H new ATOM 0 HB2 SER A 67 20.467 -1.438 8.226 1.00 2.55 H new ATOM 0 HB3 SER A 67 21.138 -0.226 9.299 1.00 2.55 H new ATOM 0 HG SER A 67 22.267 -2.245 9.441 1.00 2.95 H new ATOM 686 N THR A 68 17.229 0.029 9.210 1.00 1.67 N ATOM 687 CA THR A 68 16.412 1.078 8.623 1.00 1.78 C ATOM 688 C THR A 68 16.935 1.403 7.216 1.00 1.59 C ATOM 689 O THR A 68 16.468 0.828 6.232 1.00 2.23 O ATOM 690 CB THR A 68 16.390 2.313 9.548 1.00 2.14 C ATOM 691 OG1 THR A 68 17.587 2.435 10.293 1.00 2.77 O ATOM 692 CG2 THR A 68 15.239 2.301 10.531 1.00 2.70 C ATOM 0 H THR A 68 16.706 -0.798 9.498 1.00 1.67 H new ATOM 0 HA THR A 68 15.380 0.741 8.522 1.00 1.78 H new ATOM 0 HB THR A 68 16.273 3.160 8.872 1.00 2.14 H new ATOM 0 HG1 THR A 68 18.353 2.439 9.682 1.00 2.77 H new ATOM 0 HG21 THR A 68 15.281 3.196 11.151 1.00 2.70 H new ATOM 0 HG22 THR A 68 14.295 2.281 9.986 1.00 2.70 H new ATOM 0 HG23 THR A 68 15.311 1.417 11.164 1.00 2.70 H new ATOM 700 N ASN A 69 17.917 2.291 7.121 1.00 1.07 N ATOM 701 CA ASN A 69 18.515 2.648 5.829 1.00 1.18 C ATOM 702 C ASN A 69 17.491 3.156 4.826 1.00 1.14 C ATOM 703 O ASN A 69 16.289 3.015 5.017 1.00 2.00 O ATOM 704 CB ASN A 69 19.254 1.449 5.235 1.00 1.57 C ATOM 705 CG ASN A 69 20.631 1.261 5.838 1.00 1.96 C ATOM 706 OD1 ASN A 69 20.688 0.559 6.961 1.00 2.86 O flip ATOM 707 ND2 ASN A 69 21.630 1.743 5.303 1.00 1.89 N flip ATOM 0 H ASN A 69 18.320 2.780 7.920 1.00 1.07 H new ATOM 0 HA ASN A 69 19.215 3.460 6.026 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.664 0.547 5.395 1.00 1.57 H new ATOM 0 HB3 ASN A 69 19.348 1.581 4.157 1.00 1.57 H new ATOM 0 HD21 ASN A 69 21.538 2.277 4.438 1.00 1.89 H new ATOM 0 HD22 ASN A 69 22.549 1.609 5.724 1.00 1.89 H new ATOM 714 N ASN A 70 17.993 3.753 3.751 1.00 1.04 N ATOM 715 CA ASN A 70 17.137 4.291 2.707 1.00 1.32 C ATOM 716 C ASN A 70 16.230 3.203 2.134 1.00 1.16 C ATOM 717 O ASN A 70 15.988 2.183 2.777 1.00 1.05 O ATOM 718 CB ASN A 70 17.987 4.950 1.611 1.00 1.70 C ATOM 719 CG ASN A 70 18.834 3.957 0.840 1.00 1.67 C ATOM 720 OD1 ASN A 70 18.387 3.604 -0.359 1.00 2.23 O flip ATOM 721 ND2 ASN A 70 19.889 3.528 1.308 1.00 1.52 N flip ATOM 0 H ASN A 70 18.991 3.876 3.582 1.00 1.04 H new ATOM 0 HA ASN A 70 16.494 5.056 3.141 1.00 1.32 H new ATOM 0 HB2 ASN A 70 17.331 5.475 0.917 1.00 1.70 H new ATOM 0 HB3 ASN A 70 18.637 5.699 2.064 1.00 1.70 H new ATOM 0 HD21 ASN A 70 20.195 3.826 2.234 1.00 1.52 H new ATOM 0 HD22 ASN A 70 20.457 2.874 0.769 1.00 1.52 H new ATOM 728 N ILE A 71 15.707 3.435 0.940 1.00 1.26 N ATOM 729 CA ILE A 71 14.802 2.490 0.307 1.00 1.24 C ATOM 730 C ILE A 71 15.415 1.100 0.133 1.00 1.02 C ATOM 731 O ILE A 71 14.693 0.127 -0.085 1.00 0.95 O ATOM 732 CB ILE A 71 14.301 3.026 -1.051 1.00 1.56 C ATOM 733 CG1 ILE A 71 13.056 2.264 -1.491 1.00 1.60 C ATOM 734 CG2 ILE A 71 15.388 2.942 -2.117 1.00 2.25 C ATOM 735 CD1 ILE A 71 11.839 2.546 -0.636 1.00 1.84 C ATOM 0 H ILE A 71 15.895 4.272 0.389 1.00 1.26 H new ATOM 0 HA ILE A 71 13.954 2.383 0.984 1.00 1.24 H new ATOM 0 HB ILE A 71 14.044 4.078 -0.925 1.00 1.56 H new ATOM 0 HG12 ILE A 71 12.830 2.521 -2.526 1.00 1.60 H new ATOM 0 HG13 ILE A 71 13.267 1.195 -1.467 1.00 1.60 H new ATOM 0 HG21 ILE A 71 15.002 3.327 -3.061 1.00 2.25 H new ATOM 0 HG22 ILE A 71 16.248 3.535 -1.807 1.00 2.25 H new ATOM 0 HG23 ILE A 71 15.692 1.903 -2.246 1.00 2.25 H new ATOM 0 HD11 ILE A 71 10.992 1.970 -1.008 1.00 1.84 H new ATOM 0 HD12 ILE A 71 12.046 2.263 0.396 1.00 1.84 H new ATOM 0 HD13 ILE A 71 11.602 3.609 -0.680 1.00 1.84 H new ATOM 747 N GLU A 72 16.742 1.004 0.217 1.00 1.00 N ATOM 748 CA GLU A 72 17.431 -0.281 0.057 1.00 0.97 C ATOM 749 C GLU A 72 16.701 -1.390 0.811 1.00 0.79 C ATOM 750 O GLU A 72 16.242 -2.365 0.215 1.00 0.78 O ATOM 751 CB GLU A 72 18.875 -0.174 0.552 1.00 1.11 C ATOM 752 CG GLU A 72 19.637 -1.488 0.500 1.00 1.49 C ATOM 753 CD GLU A 72 21.094 -1.334 0.889 1.00 1.95 C ATOM 754 OE1 GLU A 72 21.381 -1.275 2.104 1.00 2.49 O ATOM 755 OE2 GLU A 72 21.949 -1.275 -0.020 1.00 2.41 O ATOM 0 H GLU A 72 17.361 1.795 0.394 1.00 1.00 H new ATOM 0 HA GLU A 72 17.436 -0.532 -1.004 1.00 0.97 H new ATOM 0 HB2 GLU A 72 19.402 0.566 -0.050 1.00 1.11 H new ATOM 0 HB3 GLU A 72 18.872 0.194 1.578 1.00 1.11 H new ATOM 0 HG2 GLU A 72 19.161 -2.206 1.167 1.00 1.49 H new ATOM 0 HG3 GLU A 72 19.576 -1.900 -0.507 1.00 1.49 H new ATOM 762 N ALA A 73 16.562 -1.227 2.118 1.00 0.70 N ATOM 763 CA ALA A 73 15.852 -2.212 2.913 1.00 0.60 C ATOM 764 C ALA A 73 14.435 -2.372 2.368 1.00 0.54 C ATOM 765 O ALA A 73 13.925 -3.490 2.225 1.00 0.56 O ATOM 766 CB ALA A 73 15.842 -1.806 4.375 1.00 0.66 C ATOM 0 H ALA A 73 16.927 -0.432 2.643 1.00 0.70 H new ATOM 0 HA ALA A 73 16.361 -3.173 2.846 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.306 -2.555 4.957 1.00 0.66 H new ATOM 0 HB2 ALA A 73 16.867 -1.729 4.738 1.00 0.66 H new ATOM 0 HB3 ALA A 73 15.346 -0.841 4.481 1.00 0.66 H new ATOM 772 N ALA A 74 13.813 -1.243 2.025 1.00 0.56 N ATOM 773 CA ALA A 74 12.477 -1.265 1.454 1.00 0.65 C ATOM 774 C ALA A 74 12.463 -2.149 0.218 1.00 0.63 C ATOM 775 O ALA A 74 11.426 -2.689 -0.149 1.00 0.73 O ATOM 776 CB ALA A 74 12.006 0.137 1.120 1.00 0.77 C ATOM 0 H ALA A 74 14.214 -0.311 2.134 1.00 0.56 H new ATOM 0 HA ALA A 74 11.787 -1.677 2.191 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.004 0.092 0.694 1.00 0.77 H new ATOM 0 HB2 ALA A 74 11.988 0.741 2.027 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.687 0.587 0.398 1.00 0.77 H new ATOM 782 N LYS A 75 13.630 -2.321 -0.406 1.00 0.60 N ATOM 783 CA LYS A 75 13.734 -3.184 -1.574 1.00 0.69 C ATOM 784 C LYS A 75 13.593 -4.623 -1.111 1.00 0.68 C ATOM 785 O LYS A 75 13.002 -5.459 -1.794 1.00 0.81 O ATOM 786 CB LYS A 75 15.067 -2.992 -2.302 1.00 0.81 C ATOM 787 CG LYS A 75 15.357 -1.550 -2.684 1.00 1.26 C ATOM 788 CD LYS A 75 16.604 -1.450 -3.548 1.00 1.49 C ATOM 789 CE LYS A 75 16.849 -0.025 -4.016 1.00 1.90 C ATOM 790 NZ LYS A 75 18.033 0.069 -4.915 1.00 2.16 N ATOM 0 H LYS A 75 14.504 -1.878 -0.123 1.00 0.60 H new ATOM 0 HA LYS A 75 12.944 -2.927 -2.280 1.00 0.69 H new ATOM 0 HB2 LYS A 75 15.873 -3.358 -1.666 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.069 -3.604 -3.204 1.00 0.81 H new ATOM 0 HG2 LYS A 75 14.505 -1.135 -3.222 1.00 1.26 H new ATOM 0 HG3 LYS A 75 15.487 -0.951 -1.782 1.00 1.26 H new ATOM 0 HD2 LYS A 75 17.468 -1.801 -2.983 1.00 1.49 H new ATOM 0 HD3 LYS A 75 16.501 -2.105 -4.413 1.00 1.49 H new ATOM 0 HE2 LYS A 75 15.966 0.342 -4.539 1.00 1.90 H new ATOM 0 HE3 LYS A 75 16.998 0.621 -3.151 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 18.166 1.057 -5.212 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 18.881 -0.257 -4.408 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 17.880 -0.527 -5.754 1.00 2.16 H new ATOM 804 N LYS A 76 14.114 -4.890 0.092 1.00 0.60 N ATOM 805 CA LYS A 76 14.021 -6.217 0.698 1.00 0.66 C ATOM 806 C LYS A 76 12.588 -6.712 0.605 1.00 0.60 C ATOM 807 O LYS A 76 12.292 -7.748 0.003 1.00 0.68 O ATOM 808 CB LYS A 76 14.425 -6.154 2.176 1.00 0.73 C ATOM 809 CG LYS A 76 14.554 -7.519 2.834 1.00 0.96 C ATOM 810 CD LYS A 76 14.139 -7.473 4.299 1.00 1.23 C ATOM 811 CE LYS A 76 14.145 -8.861 4.922 1.00 2.08 C ATOM 812 NZ LYS A 76 15.487 -9.501 4.847 1.00 2.52 N ATOM 0 H LYS A 76 14.604 -4.202 0.663 1.00 0.60 H new ATOM 0 HA LYS A 76 14.691 -6.894 0.168 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.376 -5.628 2.261 1.00 0.73 H new ATOM 0 HB3 LYS A 76 13.686 -5.566 2.721 1.00 0.73 H new ATOM 0 HG2 LYS A 76 13.935 -8.241 2.302 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.585 -7.865 2.757 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.817 -6.822 4.851 1.00 1.23 H new ATOM 0 HD3 LYS A 76 13.143 -7.039 4.383 1.00 1.23 H new ATOM 0 HE2 LYS A 76 13.834 -8.792 5.964 1.00 2.08 H new ATOM 0 HE3 LYS A 76 13.415 -9.490 4.413 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 15.488 -10.374 5.413 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 15.707 -9.730 3.857 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 16.205 -8.847 5.219 1.00 2.52 H new ATOM 826 N VAL A 77 11.703 -5.929 1.200 1.00 0.54 N ATOM 827 CA VAL A 77 10.281 -6.230 1.199 1.00 0.59 C ATOM 828 C VAL A 77 9.660 -5.866 -0.131 1.00 0.57 C ATOM 829 O VAL A 77 8.901 -6.637 -0.707 1.00 0.62 O ATOM 830 CB VAL A 77 9.555 -5.472 2.312 1.00 0.76 C ATOM 831 CG1 VAL A 77 10.080 -5.915 3.666 1.00 1.04 C ATOM 832 CG2 VAL A 77 9.709 -3.967 2.125 1.00 1.61 C ATOM 0 H VAL A 77 11.948 -5.071 1.695 1.00 0.54 H new ATOM 0 HA VAL A 77 10.175 -7.301 1.371 1.00 0.59 H new ATOM 0 HB VAL A 77 8.491 -5.703 2.264 1.00 0.76 H new ATOM 0 HG11 VAL A 77 9.559 -5.371 4.454 1.00 1.04 H new ATOM 0 HG12 VAL A 77 9.910 -6.985 3.790 1.00 1.04 H new ATOM 0 HG13 VAL A 77 11.148 -5.708 3.728 1.00 1.04 H new ATOM 0 HG21 VAL A 77 9.186 -3.445 2.926 1.00 1.61 H new ATOM 0 HG22 VAL A 77 10.766 -3.704 2.150 1.00 1.61 H new ATOM 0 HG23 VAL A 77 9.285 -3.674 1.164 1.00 1.61 H new ATOM 842 N GLY A 78 10.001 -4.688 -0.618 1.00 0.61 N ATOM 843 CA GLY A 78 9.484 -4.232 -1.891 1.00 0.76 C ATOM 844 C GLY A 78 9.581 -5.309 -2.957 1.00 0.78 C ATOM 845 O GLY A 78 8.761 -5.360 -3.865 1.00 0.94 O ATOM 0 H GLY A 78 10.630 -4.034 -0.153 1.00 0.61 H new ATOM 0 HA2 GLY A 78 8.443 -3.930 -1.773 1.00 0.76 H new ATOM 0 HA3 GLY A 78 10.038 -3.350 -2.214 1.00 0.76 H new ATOM 849 N GLU A 79 10.587 -6.176 -2.825 1.00 0.70 N ATOM 850 CA GLU A 79 10.798 -7.270 -3.772 1.00 0.82 C ATOM 851 C GLU A 79 9.871 -8.442 -3.463 1.00 0.77 C ATOM 852 O GLU A 79 9.014 -8.798 -4.272 1.00 0.79 O ATOM 853 CB GLU A 79 12.253 -7.739 -3.722 1.00 0.91 C ATOM 854 CG GLU A 79 12.555 -8.884 -4.673 1.00 1.18 C ATOM 855 CD GLU A 79 14.009 -9.311 -4.625 1.00 1.88 C ATOM 856 OE1 GLU A 79 14.819 -8.753 -5.396 1.00 2.16 O ATOM 857 OE2 GLU A 79 14.338 -10.204 -3.816 1.00 2.67 O ATOM 0 H GLU A 79 11.270 -6.140 -2.068 1.00 0.70 H new ATOM 0 HA GLU A 79 10.572 -6.900 -4.772 1.00 0.82 H new ATOM 0 HB2 GLU A 79 12.905 -6.899 -3.959 1.00 0.91 H new ATOM 0 HB3 GLU A 79 12.491 -8.050 -2.705 1.00 0.91 H new ATOM 0 HG2 GLU A 79 11.921 -9.735 -4.424 1.00 1.18 H new ATOM 0 HG3 GLU A 79 12.301 -8.584 -5.690 1.00 1.18 H new ATOM 864 N LEU A 80 10.031 -9.036 -2.283 1.00 0.76 N ATOM 865 CA LEU A 80 9.185 -10.156 -1.883 1.00 0.78 C ATOM 866 C LEU A 80 7.721 -9.757 -2.019 1.00 0.72 C ATOM 867 O LEU A 80 6.870 -10.546 -2.447 1.00 0.73 O ATOM 868 CB LEU A 80 9.495 -10.561 -0.437 1.00 0.86 C ATOM 869 CG LEU A 80 8.812 -11.841 0.053 1.00 1.28 C ATOM 870 CD1 LEU A 80 9.388 -12.268 1.394 1.00 1.69 C ATOM 871 CD2 LEU A 80 7.307 -11.642 0.161 1.00 2.00 C ATOM 0 H LEU A 80 10.732 -8.764 -1.593 1.00 0.76 H new ATOM 0 HA LEU A 80 9.385 -11.010 -2.530 1.00 0.78 H new ATOM 0 HB2 LEU A 80 10.573 -10.685 -0.337 1.00 0.86 H new ATOM 0 HB3 LEU A 80 9.206 -9.742 0.221 1.00 0.86 H new ATOM 0 HG LEU A 80 9.001 -12.630 -0.675 1.00 1.28 H new ATOM 0 HD11 LEU A 80 8.893 -13.179 1.729 1.00 1.69 H new ATOM 0 HD12 LEU A 80 10.457 -12.454 1.288 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.228 -11.477 2.127 1.00 1.69 H new ATOM 0 HD21 LEU A 80 6.842 -12.564 0.511 1.00 2.00 H new ATOM 0 HD22 LEU A 80 7.096 -10.839 0.867 1.00 2.00 H new ATOM 0 HD23 LEU A 80 6.903 -11.381 -0.817 1.00 2.00 H new ATOM 883 N VAL A 81 7.450 -8.509 -1.664 1.00 0.75 N ATOM 884 CA VAL A 81 6.112 -7.957 -1.744 1.00 0.76 C ATOM 885 C VAL A 81 5.765 -7.599 -3.189 1.00 0.74 C ATOM 886 O VAL A 81 4.599 -7.585 -3.565 1.00 0.74 O ATOM 887 CB VAL A 81 5.963 -6.718 -0.826 1.00 0.85 C ATOM 888 CG1 VAL A 81 6.604 -5.480 -1.441 1.00 1.14 C ATOM 889 CG2 VAL A 81 4.499 -6.466 -0.498 1.00 0.95 C ATOM 0 H VAL A 81 8.151 -7.856 -1.314 1.00 0.75 H new ATOM 0 HA VAL A 81 5.413 -8.718 -1.397 1.00 0.76 H new ATOM 0 HB VAL A 81 6.493 -6.930 0.103 1.00 0.85 H new ATOM 0 HG11 VAL A 81 6.478 -4.632 -0.767 1.00 1.14 H new ATOM 0 HG12 VAL A 81 7.667 -5.662 -1.601 1.00 1.14 H new ATOM 0 HG13 VAL A 81 6.126 -5.259 -2.395 1.00 1.14 H new ATOM 0 HG21 VAL A 81 4.416 -5.592 0.148 1.00 0.95 H new ATOM 0 HG22 VAL A 81 3.945 -6.290 -1.420 1.00 0.95 H new ATOM 0 HG23 VAL A 81 4.086 -7.335 0.014 1.00 0.95 H new ATOM 899 N ALA A 82 6.781 -7.327 -4.008 1.00 0.81 N ATOM 900 CA ALA A 82 6.542 -6.995 -5.409 1.00 0.87 C ATOM 901 C ALA A 82 5.699 -8.072 -6.062 1.00 0.79 C ATOM 902 O ALA A 82 4.700 -7.786 -6.709 1.00 0.85 O ATOM 903 CB ALA A 82 7.845 -6.840 -6.184 1.00 1.03 C ATOM 0 H ALA A 82 7.762 -7.330 -3.730 1.00 0.81 H new ATOM 0 HA ALA A 82 6.015 -6.041 -5.432 1.00 0.87 H new ATOM 0 HB1 ALA A 82 7.624 -6.593 -7.222 1.00 1.03 H new ATOM 0 HB2 ALA A 82 8.440 -6.042 -5.740 1.00 1.03 H new ATOM 0 HB3 ALA A 82 8.405 -7.774 -6.145 1.00 1.03 H new ATOM 909 N LYS A 83 6.126 -9.315 -5.886 1.00 0.81 N ATOM 910 CA LYS A 83 5.430 -10.456 -6.463 1.00 0.89 C ATOM 911 C LYS A 83 4.074 -10.679 -5.796 1.00 0.81 C ATOM 912 O LYS A 83 3.028 -10.620 -6.445 1.00 0.90 O ATOM 913 CB LYS A 83 6.297 -11.710 -6.321 1.00 1.06 C ATOM 914 CG LYS A 83 5.901 -12.851 -7.246 1.00 1.43 C ATOM 915 CD LYS A 83 4.542 -13.428 -6.884 1.00 1.75 C ATOM 916 CE LYS A 83 4.243 -14.687 -7.681 1.00 2.04 C ATOM 917 NZ LYS A 83 2.930 -15.279 -7.307 1.00 2.68 N ATOM 0 H LYS A 83 6.956 -9.559 -5.345 1.00 0.81 H new ATOM 0 HA LYS A 83 5.251 -10.249 -7.518 1.00 0.89 H new ATOM 0 HB2 LYS A 83 7.336 -11.444 -6.516 1.00 1.06 H new ATOM 0 HB3 LYS A 83 6.245 -12.059 -5.290 1.00 1.06 H new ATOM 0 HG2 LYS A 83 5.881 -12.494 -8.276 1.00 1.43 H new ATOM 0 HG3 LYS A 83 6.654 -13.637 -7.196 1.00 1.43 H new ATOM 0 HD2 LYS A 83 4.514 -13.655 -5.818 1.00 1.75 H new ATOM 0 HD3 LYS A 83 3.768 -12.684 -7.072 1.00 1.75 H new ATOM 0 HE2 LYS A 83 4.246 -14.453 -8.745 1.00 2.04 H new ATOM 0 HE3 LYS A 83 5.033 -15.419 -7.514 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 3.085 -16.144 -6.751 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 2.390 -14.595 -6.739 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 2.396 -15.512 -8.169 1.00 2.68 H new ATOM 931 N ARG A 84 4.084 -10.943 -4.498 1.00 0.81 N ATOM 932 CA ARG A 84 2.836 -11.183 -3.786 1.00 0.84 C ATOM 933 C ARG A 84 1.882 -9.999 -3.928 1.00 0.61 C ATOM 934 O ARG A 84 0.664 -10.174 -4.024 1.00 0.71 O ATOM 935 CB ARG A 84 3.100 -11.470 -2.307 1.00 1.13 C ATOM 936 CG ARG A 84 1.853 -11.906 -1.554 1.00 1.39 C ATOM 937 CD ARG A 84 2.173 -12.318 -0.127 1.00 1.98 C ATOM 938 NE ARG A 84 1.016 -12.910 0.539 1.00 2.44 N ATOM 939 CZ ARG A 84 1.046 -13.393 1.778 1.00 3.11 C ATOM 940 NH1 ARG A 84 2.168 -13.344 2.483 1.00 3.54 N ATOM 941 NH2 ARG A 84 -0.045 -13.924 2.311 1.00 3.69 N ATOM 0 H ARG A 84 4.925 -10.996 -3.924 1.00 0.81 H new ATOM 0 HA ARG A 84 2.365 -12.058 -4.234 1.00 0.84 H new ATOM 0 HB2 ARG A 84 3.859 -12.248 -2.223 1.00 1.13 H new ATOM 0 HB3 ARG A 84 3.508 -10.575 -1.836 1.00 1.13 H new ATOM 0 HG2 ARG A 84 1.130 -11.090 -1.544 1.00 1.39 H new ATOM 0 HG3 ARG A 84 1.385 -12.740 -2.077 1.00 1.39 H new ATOM 0 HD2 ARG A 84 2.995 -13.033 -0.131 1.00 1.98 H new ATOM 0 HD3 ARG A 84 2.510 -11.448 0.436 1.00 1.98 H new ATOM 0 HE ARG A 84 0.136 -12.956 0.025 1.00 2.44 H new ATOM 0 HH11 ARG A 84 3.009 -12.936 2.075 1.00 3.54 H new ATOM 0 HH12 ARG A 84 2.190 -13.715 3.433 1.00 3.54 H new ATOM 0 HH21 ARG A 84 -0.909 -13.963 1.771 1.00 3.69 H new ATOM 0 HH22 ARG A 84 -0.020 -14.294 3.261 1.00 3.69 H new ATOM 955 N ALA A 85 2.432 -8.789 -3.926 1.00 0.61 N ATOM 956 CA ALA A 85 1.606 -7.600 -4.034 1.00 0.80 C ATOM 957 C ALA A 85 1.288 -7.228 -5.476 1.00 1.06 C ATOM 958 O ALA A 85 0.175 -6.790 -5.761 1.00 1.38 O ATOM 959 CB ALA A 85 2.211 -6.434 -3.272 1.00 1.21 C ATOM 0 H ALA A 85 3.433 -8.610 -3.852 1.00 0.61 H new ATOM 0 HA ALA A 85 0.651 -7.843 -3.567 1.00 0.80 H new ATOM 0 HB1 ALA A 85 1.568 -5.560 -3.374 1.00 1.21 H new ATOM 0 HB2 ALA A 85 2.303 -6.697 -2.218 1.00 1.21 H new ATOM 0 HB3 ALA A 85 3.197 -6.207 -3.677 1.00 1.21 H new ATOM 965 N LEU A 86 2.219 -7.422 -6.416 1.00 1.11 N ATOM 966 CA LEU A 86 1.897 -7.101 -7.805 1.00 1.61 C ATOM 967 C LEU A 86 0.597 -7.827 -8.183 1.00 1.90 C ATOM 968 O LEU A 86 -0.169 -7.369 -9.028 1.00 2.47 O ATOM 969 CB LEU A 86 3.060 -7.398 -8.773 1.00 1.64 C ATOM 970 CG LEU A 86 3.532 -8.838 -8.884 1.00 1.91 C ATOM 971 CD1 LEU A 86 2.507 -9.688 -9.621 1.00 2.52 C ATOM 972 CD2 LEU A 86 4.877 -8.869 -9.592 1.00 1.92 C ATOM 0 H LEU A 86 3.159 -7.783 -6.251 1.00 1.11 H new ATOM 0 HA LEU A 86 1.741 -6.026 -7.898 1.00 1.61 H new ATOM 0 HB2 LEU A 86 2.763 -7.064 -9.767 1.00 1.64 H new ATOM 0 HB3 LEU A 86 3.912 -6.787 -8.473 1.00 1.64 H new ATOM 0 HG LEU A 86 3.645 -9.258 -7.885 1.00 1.91 H new ATOM 0 HD11 LEU A 86 2.867 -10.715 -9.688 1.00 2.52 H new ATOM 0 HD12 LEU A 86 1.562 -9.669 -9.079 1.00 2.52 H new ATOM 0 HD13 LEU A 86 2.358 -9.289 -10.624 1.00 2.52 H new ATOM 0 HD21 LEU A 86 5.221 -9.900 -9.675 1.00 1.92 H new ATOM 0 HD22 LEU A 86 4.774 -8.440 -10.589 1.00 1.92 H new ATOM 0 HD23 LEU A 86 5.602 -8.289 -9.021 1.00 1.92 H new ATOM 984 N GLU A 87 0.306 -8.924 -7.471 1.00 1.70 N ATOM 985 CA GLU A 87 -0.950 -9.633 -7.674 1.00 2.11 C ATOM 986 C GLU A 87 -2.069 -8.804 -7.035 1.00 1.86 C ATOM 987 O GLU A 87 -2.969 -8.331 -7.726 1.00 2.33 O ATOM 988 CB GLU A 87 -0.908 -11.029 -7.046 1.00 2.40 C ATOM 989 CG GLU A 87 0.270 -11.871 -7.502 1.00 2.35 C ATOM 990 CD GLU A 87 0.107 -13.336 -7.149 1.00 2.89 C ATOM 991 OE1 GLU A 87 -0.481 -14.080 -7.960 1.00 3.20 O ATOM 992 OE2 GLU A 87 0.568 -13.738 -6.060 1.00 3.30 O ATOM 0 H GLU A 87 0.917 -9.329 -6.762 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.126 -9.761 -8.742 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -0.872 -10.928 -5.961 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -1.833 -11.554 -7.287 1.00 2.40 H new ATOM 0 HG2 GLU A 87 0.388 -11.771 -8.581 1.00 2.35 H new ATOM 0 HG3 GLU A 87 1.183 -11.490 -7.045 1.00 2.35 H new ATOM 999 N LYS A 88 -1.972 -8.618 -5.704 1.00 1.30 N ATOM 1000 CA LYS A 88 -2.922 -7.830 -4.910 1.00 1.38 C ATOM 1001 C LYS A 88 -4.311 -7.797 -5.503 1.00 1.33 C ATOM 1002 O LYS A 88 -4.572 -7.071 -6.463 1.00 2.14 O ATOM 1003 CB LYS A 88 -2.428 -6.381 -4.741 1.00 1.54 C ATOM 1004 CG LYS A 88 -1.482 -6.111 -3.561 1.00 1.94 C ATOM 1005 CD LYS A 88 -1.404 -7.253 -2.556 1.00 1.92 C ATOM 1006 CE LYS A 88 -0.404 -6.958 -1.447 1.00 2.31 C ATOM 1007 NZ LYS A 88 -0.328 -5.502 -1.120 1.00 3.30 N ATOM 0 H LYS A 88 -1.218 -9.019 -5.146 1.00 1.30 H new ATOM 0 HA LYS A 88 -2.979 -8.330 -3.943 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -1.921 -6.084 -5.659 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -3.299 -5.734 -4.635 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -0.483 -5.912 -3.948 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -1.809 -5.208 -3.045 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -2.389 -7.424 -2.122 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -1.118 -8.171 -3.069 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -0.683 -7.514 -0.552 1.00 2.31 H new ATOM 0 HE3 LYS A 88 0.582 -7.312 -1.747 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 0.275 -5.365 -0.283 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 0.077 -4.986 -1.927 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -1.283 -5.140 -0.922 1.00 3.30 H new ATOM 1021 N GLY A 89 -5.214 -8.550 -4.910 1.00 1.17 N ATOM 1022 CA GLY A 89 -6.557 -8.535 -5.403 1.00 1.54 C ATOM 1023 C GLY A 89 -6.707 -9.328 -6.678 1.00 1.65 C ATOM 1024 O GLY A 89 -7.209 -10.451 -6.684 1.00 2.42 O ATOM 0 H GLY A 89 -5.042 -9.160 -4.111 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -7.225 -8.942 -4.644 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -6.865 -7.505 -5.580 1.00 1.54 H new ATOM 1028 N ILE A 90 -6.261 -8.711 -7.758 1.00 1.54 N ATOM 1029 CA ILE A 90 -6.317 -9.298 -9.085 1.00 1.78 C ATOM 1030 C ILE A 90 -5.103 -8.852 -9.887 1.00 1.49 C ATOM 1031 O ILE A 90 -4.427 -9.653 -10.533 1.00 1.75 O ATOM 1032 CB ILE A 90 -7.594 -8.853 -9.822 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -8.813 -9.013 -8.913 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -7.773 -9.643 -11.110 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -9.121 -10.451 -8.559 1.00 3.26 C ATOM 0 H ILE A 90 -5.846 -7.780 -7.738 1.00 1.54 H new ATOM 0 HA ILE A 90 -6.325 -10.383 -8.984 1.00 1.78 H new ATOM 0 HB ILE A 90 -7.495 -7.799 -10.083 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -8.647 -8.449 -7.995 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -9.682 -8.575 -9.404 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -8.681 -9.314 -11.616 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -6.914 -9.477 -11.761 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -7.852 -10.705 -10.877 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -9.998 -10.487 -7.912 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -9.319 -11.016 -9.470 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -8.269 -10.888 -8.039 1.00 3.26 H new ATOM 1047 N LYS A 91 -4.848 -7.551 -9.829 1.00 1.32 N ATOM 1048 CA LYS A 91 -3.737 -6.928 -10.527 1.00 1.13 C ATOM 1049 C LYS A 91 -2.889 -6.135 -9.537 1.00 1.05 C ATOM 1050 O LYS A 91 -3.242 -6.016 -8.364 1.00 1.59 O ATOM 1051 CB LYS A 91 -4.256 -5.992 -11.623 1.00 1.58 C ATOM 1052 CG LYS A 91 -5.512 -6.488 -12.327 1.00 2.04 C ATOM 1053 CD LYS A 91 -5.179 -7.274 -13.588 1.00 2.66 C ATOM 1054 CE LYS A 91 -4.310 -8.484 -13.287 1.00 3.45 C ATOM 1055 NZ LYS A 91 -3.974 -9.245 -14.521 1.00 3.95 N ATOM 0 H LYS A 91 -5.413 -6.895 -9.290 1.00 1.32 H new ATOM 0 HA LYS A 91 -3.129 -7.707 -10.987 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -4.461 -5.016 -11.184 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -3.470 -5.849 -12.365 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -6.086 -7.118 -11.647 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -6.144 -5.638 -12.584 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -6.102 -7.600 -14.067 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -4.664 -6.624 -14.296 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -3.391 -8.159 -12.799 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -4.829 -9.138 -12.586 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -3.380 -10.062 -14.274 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -4.850 -9.577 -14.973 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -3.457 -8.628 -15.179 1.00 3.95 H new ATOM 1069 N GLN A 92 -1.787 -5.571 -10.013 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.921 -4.772 -9.160 1.00 0.67 C ATOM 1071 C GLN A 92 -1.702 -3.589 -8.664 1.00 0.54 C ATOM 1072 O GLN A 92 -2.844 -3.408 -9.058 1.00 0.77 O ATOM 1073 CB GLN A 92 0.292 -4.243 -9.909 1.00 0.79 C ATOM 1074 CG GLN A 92 1.153 -5.295 -10.588 1.00 1.38 C ATOM 1075 CD GLN A 92 0.577 -5.826 -11.887 1.00 2.14 C ATOM 1076 OE1 GLN A 92 -0.078 -5.104 -12.637 1.00 3.03 O ATOM 1077 NE2 GLN A 92 0.804 -7.107 -12.144 1.00 2.16 N ATOM 0 H GLN A 92 -1.474 -5.652 -10.980 1.00 0.75 H new ATOM 0 HA GLN A 92 -0.576 -5.409 -8.346 1.00 0.67 H new ATOM 0 HB2 GLN A 92 -0.050 -3.536 -10.665 1.00 0.79 H new ATOM 0 HB3 GLN A 92 0.915 -3.686 -9.209 1.00 0.79 H new ATOM 0 HG2 GLN A 92 2.137 -4.870 -10.787 1.00 1.38 H new ATOM 0 HG3 GLN A 92 1.299 -6.128 -9.901 1.00 1.38 H new ATOM 0 HE21 GLN A 92 1.353 -7.668 -11.493 1.00 2.16 H new ATOM 0 HE22 GLN A 92 0.429 -7.531 -12.993 1.00 2.16 H new ATOM 1086 N VAL A 93 -1.101 -2.806 -7.782 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.775 -1.658 -7.213 1.00 0.44 C ATOM 1088 C VAL A 93 -1.184 -0.361 -7.750 1.00 0.75 C ATOM 1089 O VAL A 93 -0.078 -0.347 -8.289 1.00 1.27 O ATOM 1090 CB VAL A 93 -1.606 -1.626 -5.683 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -2.839 -1.045 -5.011 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -1.281 -2.999 -5.108 1.00 1.73 C ATOM 0 H VAL A 93 -0.148 -2.947 -7.447 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.827 -1.745 -7.484 1.00 0.44 H new ATOM 0 HB VAL A 93 -0.755 -0.977 -5.474 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -2.693 -1.034 -3.931 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -3.001 -0.027 -5.366 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -3.708 -1.657 -5.254 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -1.171 -2.924 -4.026 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -2.088 -3.693 -5.344 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -0.350 -3.364 -5.542 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.922 0.729 -7.581 1.00 1.05 N ATOM 1103 CA VAL A 94 -1.459 2.028 -8.029 1.00 1.51 C ATOM 1104 C VAL A 94 -1.013 2.869 -6.842 1.00 1.18 C ATOM 1105 O VAL A 94 -1.817 3.262 -5.996 1.00 1.87 O ATOM 1106 CB VAL A 94 -2.544 2.781 -8.820 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -3.761 3.044 -7.947 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -1.989 4.081 -9.380 1.00 3.01 C ATOM 0 H VAL A 94 -2.841 0.735 -7.138 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.613 1.859 -8.695 1.00 1.51 H new ATOM 0 HB VAL A 94 -2.857 2.155 -9.656 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -4.515 3.577 -8.526 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -4.172 2.096 -7.601 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -3.469 3.648 -7.088 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -2.770 4.600 -9.936 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -1.646 4.713 -8.561 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -1.153 3.863 -10.045 1.00 3.01 H new ATOM 1118 N PHE A 95 0.287 3.118 -6.787 1.00 0.67 N ATOM 1119 CA PHE A 95 0.893 3.887 -5.710 1.00 0.49 C ATOM 1120 C PHE A 95 0.257 5.266 -5.576 1.00 0.59 C ATOM 1121 O PHE A 95 0.149 6.020 -6.544 1.00 1.09 O ATOM 1122 CB PHE A 95 2.406 3.964 -5.936 1.00 0.90 C ATOM 1123 CG PHE A 95 3.046 2.600 -5.929 1.00 1.91 C ATOM 1124 CD1 PHE A 95 3.067 1.819 -7.077 1.00 2.38 C ATOM 1125 CD2 PHE A 95 3.597 2.081 -4.767 1.00 2.81 C ATOM 1126 CE1 PHE A 95 3.621 0.554 -7.064 1.00 3.55 C ATOM 1127 CE2 PHE A 95 4.158 0.817 -4.754 1.00 3.99 C ATOM 1128 CZ PHE A 95 4.166 0.053 -5.901 1.00 4.33 C ATOM 0 H PHE A 95 0.952 2.792 -7.488 1.00 0.67 H new ATOM 0 HA PHE A 95 0.710 3.381 -4.762 1.00 0.49 H new ATOM 0 HB2 PHE A 95 2.606 4.454 -6.889 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.858 4.581 -5.159 1.00 0.90 H new ATOM 0 HD1 PHE A 95 2.644 2.206 -7.992 1.00 2.38 H new ATOM 0 HD2 PHE A 95 3.588 2.670 -3.862 1.00 2.81 H new ATOM 0 HE1 PHE A 95 3.627 -0.042 -7.964 1.00 3.55 H new ATOM 0 HE2 PHE A 95 4.590 0.428 -3.844 1.00 3.99 H new ATOM 0 HZ PHE A 95 4.599 -0.937 -5.889 1.00 4.33 H new ATOM 1138 N ASP A 96 -0.190 5.561 -4.357 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.859 6.819 -4.037 1.00 0.81 C ATOM 1140 C ASP A 96 -0.169 8.021 -4.678 1.00 0.85 C ATOM 1141 O ASP A 96 0.918 7.906 -5.242 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.919 7.009 -2.517 1.00 1.11 C ATOM 1143 CG ASP A 96 0.436 7.331 -1.916 1.00 1.67 C ATOM 1144 OD1 ASP A 96 1.419 6.643 -2.267 1.00 2.45 O ATOM 1145 OD2 ASP A 96 0.515 8.267 -1.095 1.00 1.69 O ATOM 0 H ASP A 96 -0.098 4.931 -3.560 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.868 6.761 -4.446 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -1.617 7.813 -2.282 1.00 1.11 H new ATOM 0 HB3 ASP A 96 -1.311 6.102 -2.056 1.00 1.11 H new ATOM 1150 N ARG A 97 -0.817 9.179 -4.572 1.00 0.97 N ATOM 1151 CA ARG A 97 -0.284 10.421 -5.122 1.00 1.31 C ATOM 1152 C ARG A 97 1.179 10.606 -4.729 1.00 1.52 C ATOM 1153 O ARG A 97 1.965 11.192 -5.473 1.00 1.99 O ATOM 1154 CB ARG A 97 -1.106 11.612 -4.622 1.00 1.45 C ATOM 1155 CG ARG A 97 -2.585 11.534 -4.970 1.00 1.62 C ATOM 1156 CD ARG A 97 -2.868 12.102 -6.351 1.00 1.98 C ATOM 1157 NE ARG A 97 -4.300 12.149 -6.637 1.00 2.55 N ATOM 1158 CZ ARG A 97 -4.810 12.613 -7.774 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -4.007 13.064 -8.728 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -6.123 12.626 -7.956 1.00 4.10 N ATOM 0 H ARG A 97 -1.719 9.282 -4.106 1.00 0.97 H new ATOM 0 HA ARG A 97 -0.348 10.367 -6.209 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -1.001 11.683 -3.539 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -0.692 12.528 -5.043 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -2.914 10.496 -4.929 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -3.163 12.081 -4.226 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -2.450 13.106 -6.423 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -2.367 11.493 -7.104 1.00 1.98 H new ATOM 0 HE ARG A 97 -4.945 11.807 -5.925 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -2.996 13.055 -8.590 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -4.400 13.420 -9.600 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -6.743 12.280 -7.224 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -6.513 12.982 -8.828 1.00 4.10 H new ATOM 1174 N GLY A 98 1.534 10.105 -3.549 1.00 1.57 N ATOM 1175 CA GLY A 98 2.898 10.228 -3.069 1.00 1.94 C ATOM 1176 C GLY A 98 3.904 9.542 -3.972 1.00 1.60 C ATOM 1177 O GLY A 98 4.965 10.095 -4.258 1.00 2.16 O ATOM 0 H GLY A 98 0.900 9.616 -2.917 1.00 1.57 H new ATOM 0 HA2 GLY A 98 3.154 11.284 -2.984 1.00 1.94 H new ATOM 0 HA3 GLY A 98 2.966 9.802 -2.068 1.00 1.94 H new ATOM 1181 N GLY A 99 3.570 8.334 -4.418 1.00 1.23 N ATOM 1182 CA GLY A 99 4.465 7.591 -5.288 1.00 1.25 C ATOM 1183 C GLY A 99 4.745 8.323 -6.582 1.00 1.56 C ATOM 1184 O GLY A 99 4.123 8.048 -7.609 1.00 2.33 O ATOM 0 H GLY A 99 2.697 7.857 -4.193 1.00 1.23 H new ATOM 0 HA2 GLY A 99 5.404 7.406 -4.767 1.00 1.25 H new ATOM 0 HA3 GLY A 99 4.027 6.618 -5.511 1.00 1.25 H new ATOM 1188 N TYR A 100 5.676 9.266 -6.526 1.00 1.47 N ATOM 1189 CA TYR A 100 6.035 10.058 -7.691 1.00 1.80 C ATOM 1190 C TYR A 100 6.454 9.166 -8.859 1.00 1.69 C ATOM 1191 O TYR A 100 6.218 7.959 -8.844 1.00 2.19 O ATOM 1192 CB TYR A 100 7.138 11.070 -7.321 1.00 2.04 C ATOM 1193 CG TYR A 100 8.345 10.481 -6.622 1.00 1.95 C ATOM 1194 CD1 TYR A 100 8.349 10.291 -5.248 1.00 2.40 C ATOM 1195 CD2 TYR A 100 9.489 10.133 -7.332 1.00 2.11 C ATOM 1196 CE1 TYR A 100 9.454 9.773 -4.606 1.00 2.59 C ATOM 1197 CE2 TYR A 100 10.590 9.611 -6.699 1.00 2.30 C ATOM 1198 CZ TYR A 100 10.570 9.434 -5.336 1.00 2.40 C ATOM 1199 OH TYR A 100 11.671 8.917 -4.700 1.00 2.76 O ATOM 0 H TYR A 100 6.197 9.501 -5.681 1.00 1.47 H new ATOM 0 HA TYR A 100 5.158 10.616 -8.018 1.00 1.80 H new ATOM 0 HB2 TYR A 100 7.472 11.568 -8.231 1.00 2.04 H new ATOM 0 HB3 TYR A 100 6.705 11.837 -6.679 1.00 2.04 H new ATOM 0 HD1 TYR A 100 7.473 10.553 -4.672 1.00 2.40 H new ATOM 0 HD2 TYR A 100 9.512 10.276 -8.402 1.00 2.11 H new ATOM 0 HE1 TYR A 100 9.444 9.634 -3.535 1.00 2.59 H new ATOM 0 HE2 TYR A 100 11.467 9.341 -7.269 1.00 2.30 H new ATOM 0 HH TYR A 100 11.622 7.938 -4.705 1.00 2.76 H new ATOM 1209 N LEU A 101 7.069 9.771 -9.874 1.00 1.42 N ATOM 1210 CA LEU A 101 7.522 9.050 -11.065 1.00 1.38 C ATOM 1211 C LEU A 101 8.646 8.055 -10.764 1.00 1.16 C ATOM 1212 O LEU A 101 9.124 7.368 -11.667 1.00 1.18 O ATOM 1213 CB LEU A 101 8.027 10.053 -12.090 1.00 1.57 C ATOM 1214 CG LEU A 101 8.359 9.467 -13.462 1.00 1.80 C ATOM 1215 CD1 LEU A 101 7.157 8.729 -14.029 1.00 2.20 C ATOM 1216 CD2 LEU A 101 8.811 10.563 -14.416 1.00 2.28 C ATOM 0 H LEU A 101 7.267 10.771 -9.895 1.00 1.42 H new ATOM 0 HA LEU A 101 6.670 8.485 -11.443 1.00 1.38 H new ATOM 0 HB2 LEU A 101 7.273 10.830 -12.217 1.00 1.57 H new ATOM 0 HB3 LEU A 101 8.920 10.536 -11.693 1.00 1.57 H new ATOM 0 HG LEU A 101 9.177 8.756 -13.344 1.00 1.80 H new ATOM 0 HD11 LEU A 101 7.410 8.318 -15.006 1.00 2.20 H new ATOM 0 HD12 LEU A 101 6.877 7.919 -13.356 1.00 2.20 H new ATOM 0 HD13 LEU A 101 6.321 9.421 -14.132 1.00 2.20 H new ATOM 0 HD21 LEU A 101 9.043 10.127 -15.388 1.00 2.28 H new ATOM 0 HD22 LEU A 101 8.014 11.298 -14.529 1.00 2.28 H new ATOM 0 HD23 LEU A 101 9.700 11.050 -14.015 1.00 2.28 H new ATOM 1228 N TYR A 102 9.067 7.981 -9.505 1.00 1.11 N ATOM 1229 CA TYR A 102 10.130 7.085 -9.076 1.00 0.96 C ATOM 1230 C TYR A 102 11.503 7.694 -9.329 1.00 1.03 C ATOM 1231 O TYR A 102 11.628 8.907 -9.487 1.00 1.54 O ATOM 1232 CB TYR A 102 9.998 5.721 -9.764 1.00 0.93 C ATOM 1233 CG TYR A 102 8.580 5.218 -9.799 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.643 5.687 -8.900 1.00 0.95 C ATOM 1235 CD2 TYR A 102 8.180 4.269 -10.734 1.00 0.93 C ATOM 1236 CE1 TYR A 102 6.348 5.230 -8.927 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.887 3.805 -10.769 1.00 1.01 C ATOM 1238 CZ TYR A 102 5.968 4.293 -9.865 1.00 1.06 C ATOM 1239 OH TYR A 102 4.674 3.827 -9.898 1.00 1.25 O ATOM 0 H TYR A 102 8.676 8.546 -8.751 1.00 1.11 H new ATOM 0 HA TYR A 102 10.030 6.936 -8.001 1.00 0.96 H new ATOM 0 HB2 TYR A 102 10.377 5.796 -10.783 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.623 4.995 -9.244 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.932 6.424 -8.165 1.00 0.95 H new ATOM 0 HD2 TYR A 102 8.899 3.890 -11.445 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.628 5.604 -8.214 1.00 1.05 H new ATOM 0 HE2 TYR A 102 6.593 3.065 -11.498 1.00 1.01 H new ATOM 0 HH TYR A 102 4.078 4.539 -10.210 1.00 1.25 H new ATOM 1249 N HIS A 103 12.529 6.843 -9.352 1.00 0.77 N ATOM 1250 CA HIS A 103 13.906 7.274 -9.574 1.00 0.89 C ATOM 1251 C HIS A 103 14.530 7.900 -8.319 1.00 0.87 C ATOM 1252 O HIS A 103 15.717 8.226 -8.313 1.00 1.36 O ATOM 1253 CB HIS A 103 13.991 8.247 -10.751 1.00 1.19 C ATOM 1254 CG HIS A 103 15.396 8.595 -11.133 1.00 1.63 C ATOM 1255 ND1 HIS A 103 15.776 9.857 -11.534 1.00 2.23 N ATOM 1256 CD2 HIS A 103 16.517 7.836 -11.167 1.00 2.09 C ATOM 1257 CE1 HIS A 103 17.072 9.859 -11.801 1.00 2.54 C ATOM 1258 NE2 HIS A 103 17.543 8.646 -11.586 1.00 2.39 N ATOM 0 H HIS A 103 12.427 5.837 -9.217 1.00 0.77 H new ATOM 0 HA HIS A 103 14.481 6.379 -9.813 1.00 0.89 H new ATOM 0 HB2 HIS A 103 13.486 7.809 -11.612 1.00 1.19 H new ATOM 0 HB3 HIS A 103 13.454 9.161 -10.497 1.00 1.19 H new ATOM 0 HD2 HIS A 103 16.590 6.789 -10.912 1.00 2.09 H new ATOM 0 HE1 HIS A 103 17.646 10.709 -12.138 1.00 2.54 H new ATOM 0 HE2 HIS A 103 18.513 8.356 -11.711 1.00 2.39 H new ATOM 1267 N GLY A 104 13.740 8.056 -7.257 1.00 0.90 N ATOM 1268 CA GLY A 104 14.257 8.628 -6.023 1.00 0.97 C ATOM 1269 C GLY A 104 14.394 7.594 -4.915 1.00 0.93 C ATOM 1270 O GLY A 104 15.078 6.584 -5.079 1.00 1.07 O ATOM 0 H GLY A 104 12.754 7.797 -7.229 1.00 0.90 H new ATOM 0 HA2 GLY A 104 15.230 9.081 -6.216 1.00 0.97 H new ATOM 0 HA3 GLY A 104 13.594 9.427 -5.691 1.00 0.97 H new ATOM 1274 N ARG A 105 13.739 7.844 -3.786 1.00 0.88 N ATOM 1275 CA ARG A 105 13.785 6.927 -2.649 1.00 0.90 C ATOM 1276 C ARG A 105 12.619 5.919 -2.658 1.00 0.73 C ATOM 1277 O ARG A 105 12.834 4.709 -2.620 1.00 0.92 O ATOM 1278 CB ARG A 105 13.783 7.726 -1.346 1.00 1.06 C ATOM 1279 CG ARG A 105 14.804 8.852 -1.328 1.00 1.51 C ATOM 1280 CD ARG A 105 14.713 9.674 -0.053 1.00 1.92 C ATOM 1281 NE ARG A 105 15.573 10.853 -0.100 1.00 2.44 N ATOM 1282 CZ ARG A 105 15.731 11.691 0.918 1.00 3.16 C ATOM 1283 NH1 ARG A 105 15.098 11.472 2.062 1.00 3.59 N ATOM 1284 NH2 ARG A 105 16.522 12.747 0.793 1.00 3.76 N ATOM 0 H ARG A 105 13.168 8.675 -3.632 1.00 0.88 H new ATOM 0 HA ARG A 105 14.705 6.348 -2.729 1.00 0.90 H new ATOM 0 HB2 ARG A 105 12.789 8.144 -1.186 1.00 1.06 H new ATOM 0 HB3 ARG A 105 13.983 7.051 -0.514 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.807 8.435 -1.421 1.00 1.51 H new ATOM 0 HG3 ARG A 105 14.646 9.500 -2.190 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.680 9.985 0.105 1.00 1.92 H new ATOM 0 HD3 ARG A 105 14.993 9.054 0.799 1.00 1.92 H new ATOM 0 HE ARG A 105 16.081 11.044 -0.964 1.00 2.44 H new ATOM 0 HH11 ARG A 105 14.489 10.660 2.161 1.00 3.59 H new ATOM 0 HH12 ARG A 105 15.220 12.116 2.844 1.00 3.59 H new ATOM 0 HH21 ARG A 105 17.011 12.917 -0.086 1.00 3.76 H new ATOM 0 HH22 ARG A 105 16.642 13.390 1.576 1.00 3.76 H new ATOM 1298 N VAL A 106 11.388 6.439 -2.672 1.00 0.59 N ATOM 1299 CA VAL A 106 10.167 5.611 -2.644 1.00 0.62 C ATOM 1300 C VAL A 106 10.041 4.677 -3.854 1.00 0.67 C ATOM 1301 O VAL A 106 9.334 3.670 -3.814 1.00 0.70 O ATOM 1302 CB VAL A 106 8.905 6.518 -2.582 1.00 0.79 C ATOM 1303 CG1 VAL A 106 9.085 7.626 -1.555 1.00 1.42 C ATOM 1304 CG2 VAL A 106 8.585 7.106 -3.956 1.00 1.76 C ATOM 0 H VAL A 106 11.204 7.442 -2.703 1.00 0.59 H new ATOM 0 HA VAL A 106 10.244 4.989 -1.752 1.00 0.62 H new ATOM 0 HB VAL A 106 8.063 5.899 -2.274 1.00 0.79 H new ATOM 0 HG11 VAL A 106 8.190 8.247 -1.529 1.00 1.42 H new ATOM 0 HG12 VAL A 106 9.250 7.187 -0.571 1.00 1.42 H new ATOM 0 HG13 VAL A 106 9.944 8.239 -1.828 1.00 1.42 H new ATOM 0 HG21 VAL A 106 7.698 7.736 -3.885 1.00 1.76 H new ATOM 0 HG22 VAL A 106 9.428 7.704 -4.301 1.00 1.76 H new ATOM 0 HG23 VAL A 106 8.400 6.298 -4.663 1.00 1.76 H new ATOM 1314 N LYS A 107 10.689 5.057 -4.931 1.00 0.76 N ATOM 1315 CA LYS A 107 10.634 4.320 -6.189 1.00 0.89 C ATOM 1316 C LYS A 107 10.752 2.807 -6.053 1.00 0.75 C ATOM 1317 O LYS A 107 10.260 2.091 -6.906 1.00 0.76 O ATOM 1318 CB LYS A 107 11.734 4.811 -7.114 1.00 1.17 C ATOM 1319 CG LYS A 107 12.996 5.215 -6.391 1.00 1.89 C ATOM 1320 CD LYS A 107 14.230 4.999 -7.247 1.00 2.96 C ATOM 1321 CE LYS A 107 14.934 3.704 -6.875 1.00 3.87 C ATOM 1322 NZ LYS A 107 16.105 3.433 -7.754 1.00 4.87 N ATOM 0 H LYS A 107 11.275 5.891 -4.967 1.00 0.76 H new ATOM 0 HA LYS A 107 9.641 4.515 -6.594 1.00 0.89 H new ATOM 0 HB2 LYS A 107 11.972 4.025 -7.831 1.00 1.17 H new ATOM 0 HB3 LYS A 107 11.364 5.663 -7.685 1.00 1.17 H new ATOM 0 HG2 LYS A 107 12.931 6.265 -6.106 1.00 1.89 H new ATOM 0 HG3 LYS A 107 13.087 4.639 -5.470 1.00 1.89 H new ATOM 0 HD2 LYS A 107 13.947 4.973 -8.299 1.00 2.96 H new ATOM 0 HD3 LYS A 107 14.915 5.838 -7.122 1.00 2.96 H new ATOM 0 HE2 LYS A 107 15.264 3.756 -5.837 1.00 3.87 H new ATOM 0 HE3 LYS A 107 14.229 2.875 -6.944 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 16.556 2.541 -7.466 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 15.788 3.358 -8.742 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 16.790 4.211 -7.669 1.00 4.87 H new ATOM 1336 N ALA A 108 11.419 2.302 -5.032 1.00 0.77 N ATOM 1337 CA ALA A 108 11.568 0.855 -4.920 1.00 0.73 C ATOM 1338 C ALA A 108 10.230 0.135 -4.971 1.00 0.63 C ATOM 1339 O ALA A 108 9.985 -0.657 -5.880 1.00 0.68 O ATOM 1340 CB ALA A 108 12.302 0.477 -3.663 1.00 0.85 C ATOM 0 H ALA A 108 11.855 2.847 -4.288 1.00 0.77 H new ATOM 0 HA ALA A 108 12.155 0.538 -5.782 1.00 0.73 H new ATOM 0 HB1 ALA A 108 12.397 -0.608 -3.609 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.294 0.928 -3.672 1.00 0.85 H new ATOM 0 HB3 ALA A 108 11.748 0.836 -2.796 1.00 0.85 H new ATOM 1346 N LEU A 109 9.356 0.405 -4.005 1.00 0.70 N ATOM 1347 CA LEU A 109 8.057 -0.245 -4.001 1.00 0.80 C ATOM 1348 C LEU A 109 7.264 0.219 -5.210 1.00 0.66 C ATOM 1349 O LEU A 109 6.714 -0.593 -5.952 1.00 0.76 O ATOM 1350 CB LEU A 109 7.278 0.008 -2.689 1.00 1.05 C ATOM 1351 CG LEU A 109 6.822 1.449 -2.410 1.00 1.76 C ATOM 1352 CD1 LEU A 109 5.524 1.460 -1.617 1.00 2.64 C ATOM 1353 CD2 LEU A 109 7.897 2.218 -1.655 1.00 2.27 C ATOM 0 H LEU A 109 9.520 1.053 -3.235 1.00 0.70 H new ATOM 0 HA LEU A 109 8.212 -1.322 -4.059 1.00 0.80 H new ATOM 0 HB2 LEU A 109 6.395 -0.631 -2.692 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.903 -0.316 -1.857 1.00 1.05 H new ATOM 0 HG LEU A 109 6.650 1.937 -3.369 1.00 1.76 H new ATOM 0 HD11 LEU A 109 5.220 2.490 -1.431 1.00 2.64 H new ATOM 0 HD12 LEU A 109 4.746 0.949 -2.185 1.00 2.64 H new ATOM 0 HD13 LEU A 109 5.674 0.949 -0.666 1.00 2.64 H new ATOM 0 HD21 LEU A 109 7.553 3.235 -1.468 1.00 2.27 H new ATOM 0 HD22 LEU A 109 8.099 1.723 -0.705 1.00 2.27 H new ATOM 0 HD23 LEU A 109 8.810 2.247 -2.250 1.00 2.27 H new ATOM 1365 N ALA A 110 7.254 1.530 -5.421 1.00 0.56 N ATOM 1366 CA ALA A 110 6.563 2.126 -6.548 1.00 0.60 C ATOM 1367 C ALA A 110 7.046 1.506 -7.858 1.00 0.59 C ATOM 1368 O ALA A 110 6.327 1.496 -8.859 1.00 0.70 O ATOM 1369 CB ALA A 110 6.776 3.636 -6.518 1.00 0.79 C ATOM 0 H ALA A 110 7.724 2.204 -4.816 1.00 0.56 H new ATOM 0 HA ALA A 110 5.494 1.927 -6.478 1.00 0.60 H new ATOM 0 HB1 ALA A 110 6.260 4.093 -7.362 1.00 0.79 H new ATOM 0 HB2 ALA A 110 6.379 4.041 -5.587 1.00 0.79 H new ATOM 0 HB3 ALA A 110 7.842 3.854 -6.583 1.00 0.79 H new ATOM 1375 N ASP A 111 8.268 0.977 -7.835 1.00 0.57 N ATOM 1376 CA ASP A 111 8.859 0.348 -9.001 1.00 0.59 C ATOM 1377 C ASP A 111 8.415 -1.099 -9.128 1.00 0.55 C ATOM 1378 O ASP A 111 8.044 -1.552 -10.204 1.00 0.56 O ATOM 1379 CB ASP A 111 10.387 0.407 -8.944 1.00 0.78 C ATOM 1380 CG ASP A 111 11.033 -0.272 -10.137 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.231 -1.504 -10.083 1.00 0.94 O ATOM 1382 OD2 ASP A 111 11.341 0.427 -11.125 1.00 0.88 O ATOM 0 H ASP A 111 8.868 0.975 -7.010 1.00 0.57 H new ATOM 0 HA ASP A 111 8.514 0.902 -9.874 1.00 0.59 H new ATOM 0 HB2 ASP A 111 10.707 1.448 -8.904 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.733 -0.069 -8.026 1.00 0.78 H new ATOM 1387 N ALA A 112 8.460 -1.827 -8.021 1.00 0.61 N ATOM 1388 CA ALA A 112 8.077 -3.230 -8.009 1.00 0.70 C ATOM 1389 C ALA A 112 6.772 -3.459 -8.768 1.00 0.67 C ATOM 1390 O ALA A 112 6.744 -4.173 -9.775 1.00 0.75 O ATOM 1391 CB ALA A 112 7.952 -3.701 -6.567 1.00 0.82 C ATOM 0 H ALA A 112 8.760 -1.466 -7.115 1.00 0.61 H new ATOM 0 HA ALA A 112 8.849 -3.809 -8.516 1.00 0.70 H new ATOM 0 HB1 ALA A 112 7.665 -4.752 -6.551 1.00 0.82 H new ATOM 0 HB2 ALA A 112 8.909 -3.578 -6.060 1.00 0.82 H new ATOM 0 HB3 ALA A 112 7.192 -3.110 -6.056 1.00 0.82 H new ATOM 1397 N ALA A 113 5.699 -2.839 -8.299 1.00 0.64 N ATOM 1398 CA ALA A 113 4.403 -2.978 -8.950 1.00 0.72 C ATOM 1399 C ALA A 113 4.365 -2.242 -10.281 1.00 0.67 C ATOM 1400 O ALA A 113 4.019 -2.826 -11.308 1.00 0.86 O ATOM 1401 CB ALA A 113 3.299 -2.465 -8.045 1.00 0.77 C ATOM 0 H ALA A 113 5.699 -2.238 -7.475 1.00 0.64 H new ATOM 0 HA ALA A 113 4.245 -4.039 -9.145 1.00 0.72 H new ATOM 0 HB1 ALA A 113 2.337 -2.576 -8.546 1.00 0.77 H new ATOM 0 HB2 ALA A 113 3.293 -3.038 -7.118 1.00 0.77 H new ATOM 0 HB3 ALA A 113 3.472 -1.413 -7.821 1.00 0.77 H new ATOM 1407 N ARG A 114 4.683 -0.950 -10.263 1.00 0.57 N ATOM 1408 CA ARG A 114 4.634 -0.153 -11.479 1.00 0.62 C ATOM 1409 C ARG A 114 5.532 -0.721 -12.573 1.00 0.65 C ATOM 1410 O ARG A 114 5.056 -1.039 -13.661 1.00 0.75 O ATOM 1411 CB ARG A 114 5.009 1.293 -11.200 1.00 0.69 C ATOM 1412 CG ARG A 114 4.439 2.271 -12.223 1.00 1.00 C ATOM 1413 CD ARG A 114 4.908 1.952 -13.633 1.00 1.56 C ATOM 1414 NE ARG A 114 4.528 2.994 -14.585 1.00 1.95 N ATOM 1415 CZ ARG A 114 3.284 3.184 -15.014 1.00 2.59 C ATOM 1416 NH1 ARG A 114 2.301 2.410 -14.574 1.00 3.23 N ATOM 1417 NH2 ARG A 114 3.020 4.151 -15.883 1.00 3.01 N ATOM 0 H ARG A 114 4.974 -0.440 -9.429 1.00 0.57 H new ATOM 0 HA ARG A 114 3.605 -0.190 -11.837 1.00 0.62 H new ATOM 0 HB2 ARG A 114 4.654 1.568 -10.207 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.095 1.384 -11.187 1.00 0.69 H new ATOM 0 HG2 ARG A 114 3.350 2.241 -12.187 1.00 1.00 H new ATOM 0 HG3 ARG A 114 4.739 3.286 -11.961 1.00 1.00 H new ATOM 0 HD2 ARG A 114 5.992 1.835 -13.637 1.00 1.56 H new ATOM 0 HD3 ARG A 114 4.483 0.999 -13.950 1.00 1.56 H new ATOM 0 HE ARG A 114 5.259 3.610 -14.940 1.00 1.95 H new ATOM 0 HH11 ARG A 114 2.498 1.666 -13.904 1.00 3.23 H new ATOM 0 HH12 ARG A 114 1.348 2.559 -14.905 1.00 3.23 H new ATOM 0 HH21 ARG A 114 3.772 4.750 -16.223 1.00 3.01 H new ATOM 0 HH22 ARG A 114 2.065 4.295 -16.211 1.00 3.01 H new ATOM 1431 N GLU A 115 6.831 -0.841 -12.291 1.00 0.63 N ATOM 1432 CA GLU A 115 7.782 -1.366 -13.276 1.00 0.71 C ATOM 1433 C GLU A 115 7.224 -2.605 -13.967 1.00 0.85 C ATOM 1434 O GLU A 115 7.140 -2.655 -15.195 1.00 1.02 O ATOM 1435 CB GLU A 115 9.128 -1.694 -12.626 1.00 0.67 C ATOM 1436 CG GLU A 115 10.186 -2.158 -13.615 1.00 1.21 C ATOM 1437 CD GLU A 115 10.497 -1.116 -14.671 1.00 1.83 C ATOM 1438 OE1 GLU A 115 11.351 -0.243 -14.411 1.00 1.97 O ATOM 1439 OE2 GLU A 115 9.885 -1.172 -15.759 1.00 2.59 O ATOM 0 H GLU A 115 7.247 -0.584 -11.396 1.00 0.63 H new ATOM 0 HA GLU A 115 7.939 -0.588 -14.024 1.00 0.71 H new ATOM 0 HB2 GLU A 115 9.494 -0.810 -12.103 1.00 0.67 H new ATOM 0 HB3 GLU A 115 8.980 -2.470 -11.875 1.00 0.67 H new ATOM 0 HG2 GLU A 115 11.100 -2.405 -13.074 1.00 1.21 H new ATOM 0 HG3 GLU A 115 9.846 -3.072 -14.102 1.00 1.21 H new ATOM 1446 N ALA A 116 6.828 -3.599 -13.177 1.00 0.84 N ATOM 1447 CA ALA A 116 6.263 -4.819 -13.736 1.00 1.03 C ATOM 1448 C ALA A 116 5.063 -4.493 -14.624 1.00 1.11 C ATOM 1449 O ALA A 116 4.717 -5.256 -15.526 1.00 1.28 O ATOM 1450 CB ALA A 116 5.861 -5.775 -12.622 1.00 1.08 C ATOM 0 H ALA A 116 6.888 -3.583 -12.159 1.00 0.84 H new ATOM 0 HA ALA A 116 7.022 -5.304 -14.350 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.440 -6.682 -13.055 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.738 -6.030 -12.027 1.00 1.08 H new ATOM 0 HB3 ALA A 116 5.116 -5.298 -11.985 1.00 1.08 H new ATOM 1456 N GLY A 117 4.429 -3.354 -14.348 1.00 1.01 N ATOM 1457 CA GLY A 117 3.265 -2.932 -15.110 1.00 1.09 C ATOM 1458 C GLY A 117 2.018 -2.994 -14.262 1.00 0.98 C ATOM 1459 O GLY A 117 1.166 -3.860 -14.459 1.00 1.07 O ATOM 0 H GLY A 117 4.704 -2.712 -13.604 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.412 -1.915 -15.474 1.00 1.09 H new ATOM 0 HA3 GLY A 117 3.147 -3.570 -15.986 1.00 1.09 H new ATOM 1463 N LEU A 118 1.939 -2.112 -13.272 1.00 0.99 N ATOM 1464 CA LEU A 118 0.815 -2.125 -12.347 1.00 1.08 C ATOM 1465 C LEU A 118 -0.491 -1.598 -12.924 1.00 0.96 C ATOM 1466 O LEU A 118 -0.513 -0.706 -13.772 1.00 1.25 O ATOM 1467 CB LEU A 118 1.141 -1.363 -11.058 1.00 1.61 C ATOM 1468 CG LEU A 118 1.113 0.167 -11.152 1.00 2.05 C ATOM 1469 CD1 LEU A 118 -0.318 0.689 -11.174 1.00 2.65 C ATOM 1470 CD2 LEU A 118 1.873 0.776 -9.986 1.00 2.48 C ATOM 0 H LEU A 118 2.633 -1.386 -13.091 1.00 0.99 H new ATOM 0 HA LEU A 118 0.658 -3.182 -12.132 1.00 1.08 H new ATOM 0 HB2 LEU A 118 0.433 -1.672 -10.289 1.00 1.61 H new ATOM 0 HB3 LEU A 118 2.132 -1.668 -10.721 1.00 1.61 H new ATOM 0 HG LEU A 118 1.595 0.459 -12.085 1.00 2.05 H new ATOM 0 HD11 LEU A 118 -0.307 1.777 -11.241 1.00 2.65 H new ATOM 0 HD12 LEU A 118 -0.842 0.277 -12.036 1.00 2.65 H new ATOM 0 HD13 LEU A 118 -0.830 0.387 -10.260 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.847 1.863 -10.063 1.00 2.48 H new ATOM 0 HD22 LEU A 118 1.410 0.467 -9.049 1.00 2.48 H new ATOM 0 HD23 LEU A 118 2.908 0.436 -10.009 1.00 2.48 H new ATOM 1482 N GLU A 119 -1.588 -2.162 -12.407 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.934 -1.773 -12.799 1.00 0.78 C ATOM 1484 C GLU A 119 -3.860 -1.719 -11.576 1.00 0.72 C ATOM 1485 O GLU A 119 -4.180 -2.755 -10.991 1.00 0.66 O ATOM 1486 CB GLU A 119 -3.486 -2.763 -13.822 1.00 0.84 C ATOM 1487 CG GLU A 119 -2.630 -2.886 -15.071 1.00 1.48 C ATOM 1488 CD GLU A 119 -3.264 -3.766 -16.129 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -4.019 -3.233 -16.971 1.00 2.56 O ATOM 1490 OE2 GLU A 119 -3.006 -4.988 -16.118 1.00 2.85 O ATOM 0 H GLU A 119 -1.560 -2.901 -11.705 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.889 -0.780 -13.246 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -3.576 -3.744 -13.355 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -4.491 -2.454 -14.109 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -2.456 -1.893 -15.486 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -1.656 -3.294 -14.801 1.00 1.48 H new ATOM 1497 N PHE A 120 -4.310 -0.521 -11.210 1.00 0.85 N ATOM 1498 CA PHE A 120 -5.224 -0.353 -10.076 1.00 0.91 C ATOM 1499 C PHE A 120 -5.426 1.119 -9.740 1.00 1.15 C ATOM 1500 O PHE A 120 -5.215 1.965 -10.634 1.00 1.57 O ATOM 1501 CB PHE A 120 -4.741 -1.109 -8.839 1.00 0.78 C ATOM 1502 CG PHE A 120 -5.726 -2.132 -8.313 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -7.092 -1.966 -8.511 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -5.293 -3.249 -7.609 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -7.997 -2.888 -8.017 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -6.197 -4.173 -7.118 1.00 1.97 C ATOM 1507 CZ PHE A 120 -7.528 -4.037 -7.372 1.00 1.95 C ATOM 1508 OXT PHE A 120 -5.796 1.414 -8.584 1.00 1.71 O ATOM 0 H PHE A 120 -4.059 0.349 -11.680 1.00 0.85 H new ATOM 0 HA PHE A 120 -6.181 -0.776 -10.380 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -3.804 -1.612 -9.077 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -4.524 -0.390 -8.049 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -7.451 -1.106 -9.057 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -4.236 -3.397 -7.443 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -9.058 -2.722 -8.129 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -5.845 -5.008 -6.530 1.00 1.97 H new ATOM 0 HZ PHE A 120 -8.218 -4.813 -7.077 1.00 1.95 H new