USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 84 THR OG1 : rot -76:sc= 1.24 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.98 K(o=0.74,f=-6.1!) USER MOD Set 2.2: A 82 ASN : amide:sc= -0.242 K(o=0.74,f=-5.4!) USER MOD Set 2.3: A 99 MET CE :methyl -151:sc= 0 (180deg=-0.0969) USER MOD Set 3.1: A 76 THR OG1 : rot -41:sc= 0.527 USER MOD Set 3.2: A 79 ASN : amide:sc= 0.92 K(o=1.4,f=-5.1!) USER MOD Set 4.1: A 22 HIS :FLIP no HD1:sc= -0.0132 F(o=-0.78,f=-0.15) USER MOD Set 4.2: A 73 ASN :FLIP amide:sc= -0.141 X(o=-0.6,f=-0.15) USER MOD Set 5.1: A 28 SER OG : rot -105:sc= 1.28 USER MOD Set 5.2: A 67 HIS : no HD1:sc= 1.08 K(o=2.4,f=-1.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.99) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 20 MET CE :methyl -156:sc= 0 (180deg=-0.312) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 37:sc= 0.0285 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.552 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 91:sc= 1.77 USER MOD Single : A 62 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.1!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.091) USER MOD Single : A 83 TYR OH : rot -157:sc= -0.995 USER MOD Single : A 89 ASN : amide:sc= -0.429 K(o=-0.43,f=-6.8!) USER MOD Single : A 93 GLN : amide:sc= -1 X(o=-1,f=-0.55) USER MOD Single : A 95 SER OG : rot 41:sc= 0.02 USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.296 2.709 4.161 1.00 1.06 N ATOM 80 CA SER A 7 -21.172 3.133 3.426 1.00 0.91 C ATOM 81 C SER A 7 -19.976 3.143 4.338 1.00 0.81 C ATOM 82 O SER A 7 -19.826 4.023 5.197 1.00 0.91 O ATOM 83 CB SER A 7 -21.433 4.516 2.828 1.00 1.01 C ATOM 84 OG SER A 7 -20.358 4.950 2.007 1.00 1.58 O ATOM 0 HA SER A 7 -20.977 2.449 2.600 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.351 4.490 2.241 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.589 5.235 3.632 1.00 1.01 H new ATOM 0 HG SER A 7 -20.562 5.836 1.642 1.00 1.58 H new ATOM 90 N PHE A 8 -19.188 2.114 4.240 1.00 0.75 N ATOM 91 CA PHE A 8 -17.966 2.066 4.971 1.00 0.70 C ATOM 92 C PHE A 8 -16.995 2.926 4.215 1.00 0.53 C ATOM 93 O PHE A 8 -16.778 2.706 3.032 1.00 0.54 O ATOM 94 CB PHE A 8 -17.437 0.633 5.064 1.00 0.85 C ATOM 95 CG PHE A 8 -18.432 -0.363 5.596 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.661 -1.567 4.948 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.149 -0.082 6.740 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.579 -2.465 5.438 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.066 -0.975 7.232 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.241 -2.219 6.564 1.00 0.96 C ATOM 0 H PHE A 8 -19.374 1.297 3.659 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.110 2.418 5.992 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.115 0.313 4.073 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.555 0.625 5.704 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.112 -1.802 4.048 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.986 0.853 7.255 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.765 -3.383 4.901 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.646 -0.738 8.112 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.911 -2.962 6.971 1.00 0.96 H new ATOM 110 N CYS A 9 -16.426 3.878 4.861 1.00 0.49 N ATOM 111 CA CYS A 9 -15.549 4.808 4.197 1.00 0.44 C ATOM 112 C CYS A 9 -14.163 4.202 4.104 1.00 0.37 C ATOM 113 O CYS A 9 -13.986 3.043 4.454 1.00 0.40 O ATOM 114 CB CYS A 9 -15.563 6.130 4.953 1.00 0.62 C ATOM 115 SG CYS A 9 -17.246 6.829 5.096 1.00 1.32 S ATOM 0 H CYS A 9 -16.546 4.045 5.860 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.886 5.009 3.180 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.148 5.980 5.950 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -14.917 6.845 4.443 1.00 0.62 H new ATOM 120 N ALA A 10 -13.179 4.951 3.690 1.00 0.35 N ATOM 121 CA ALA A 10 -11.897 4.346 3.437 1.00 0.35 C ATOM 122 C ALA A 10 -11.054 4.433 4.652 1.00 0.29 C ATOM 123 O ALA A 10 -10.804 5.518 5.173 1.00 0.34 O ATOM 124 CB ALA A 10 -11.185 5.029 2.288 1.00 0.45 C ATOM 0 H ALA A 10 -13.233 5.956 3.523 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.064 3.302 3.171 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.220 4.550 2.121 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.791 4.949 1.385 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.031 6.081 2.529 1.00 0.45 H new ATOM 130 N SER A 11 -10.679 3.302 5.130 1.00 0.27 N ATOM 131 CA SER A 11 -9.839 3.193 6.264 1.00 0.27 C ATOM 132 C SER A 11 -8.557 2.497 5.836 1.00 0.23 C ATOM 133 O SER A 11 -8.604 1.447 5.189 1.00 0.25 O ATOM 134 CB SER A 11 -10.558 2.402 7.343 1.00 0.37 C ATOM 135 OG SER A 11 -11.851 2.951 7.579 1.00 1.19 O ATOM 0 H SER A 11 -10.956 2.404 4.732 1.00 0.27 H new ATOM 0 HA SER A 11 -9.596 4.175 6.670 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.648 1.359 7.040 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.975 2.417 8.264 1.00 0.37 H new ATOM 0 HG SER A 11 -12.305 2.432 8.275 1.00 1.19 H new ATOM 141 N VAL A 12 -7.440 3.086 6.156 1.00 0.23 N ATOM 142 CA VAL A 12 -6.159 2.576 5.743 1.00 0.22 C ATOM 143 C VAL A 12 -5.343 2.157 6.956 1.00 0.24 C ATOM 144 O VAL A 12 -5.081 2.966 7.844 1.00 0.29 O ATOM 145 CB VAL A 12 -5.364 3.651 4.942 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.020 3.130 4.532 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.111 4.068 3.708 1.00 0.27 C ATOM 0 H VAL A 12 -7.390 3.938 6.714 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.335 1.712 5.102 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.239 4.511 5.600 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.486 3.900 3.975 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.447 2.862 5.420 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.148 2.249 3.903 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.533 4.819 3.169 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.267 3.201 3.067 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.076 4.488 3.991 1.00 0.27 H new ATOM 157 N GLN A 13 -4.991 0.900 7.013 1.00 0.24 N ATOM 158 CA GLN A 13 -4.124 0.415 8.046 1.00 0.29 C ATOM 159 C GLN A 13 -2.811 -0.024 7.431 1.00 0.26 C ATOM 160 O GLN A 13 -2.781 -0.939 6.596 1.00 0.32 O ATOM 161 CB GLN A 13 -4.741 -0.750 8.817 1.00 0.40 C ATOM 162 CG GLN A 13 -6.039 -0.426 9.531 1.00 0.68 C ATOM 163 CD GLN A 13 -6.505 -1.572 10.397 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.700 -2.335 10.926 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.788 -1.719 10.538 1.00 2.06 N ATOM 0 H GLN A 13 -5.297 0.190 6.348 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.962 1.228 8.754 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.920 -1.572 8.123 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.018 -1.104 9.551 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.903 0.463 10.147 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.809 -0.190 8.796 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.429 -1.067 10.085 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.155 -2.486 11.102 1.00 2.06 H new ATOM 174 N LEU A 14 -1.753 0.635 7.806 1.00 0.28 N ATOM 175 CA LEU A 14 -0.426 0.293 7.346 1.00 0.25 C ATOM 176 C LEU A 14 0.324 -0.409 8.438 1.00 0.25 C ATOM 177 O LEU A 14 0.133 -0.119 9.611 1.00 0.33 O ATOM 178 CB LEU A 14 0.337 1.526 6.839 1.00 0.24 C ATOM 179 CG LEU A 14 -0.041 1.996 5.433 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.627 3.300 5.101 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.391 0.965 4.433 1.00 0.25 C ATOM 0 H LEU A 14 -1.780 1.431 8.443 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.520 -0.384 6.497 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.171 2.348 7.536 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.404 1.305 6.856 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.121 2.136 5.398 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.340 3.610 4.096 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.317 4.060 5.818 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.709 3.177 5.148 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.123 1.297 3.430 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.471 0.829 4.494 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.107 0.019 4.647 1.00 0.25 H new ATOM 193 N HIS A 15 1.169 -1.326 8.073 1.00 0.21 N ATOM 194 CA HIS A 15 1.881 -2.116 9.043 1.00 0.24 C ATOM 195 C HIS A 15 3.337 -2.118 8.683 1.00 0.21 C ATOM 196 O HIS A 15 3.693 -2.053 7.507 1.00 0.22 O ATOM 197 CB HIS A 15 1.334 -3.563 9.096 1.00 0.34 C ATOM 198 CG HIS A 15 -0.113 -3.678 9.531 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.499 -3.836 10.845 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.266 -3.660 8.810 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.814 -3.907 10.917 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.305 -3.803 9.698 1.00 0.83 N ATOM 0 H HIS A 15 1.386 -1.550 7.102 1.00 0.21 H new ATOM 0 HA HIS A 15 1.743 -1.680 10.033 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.439 -4.013 8.109 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.952 -4.146 9.779 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.350 -3.553 7.739 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.391 -4.030 11.822 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.295 -3.825 9.454 1.00 0.83 H new ATOM 211 N THR A 16 4.157 -2.144 9.711 1.00 0.26 N ATOM 212 CA THR A 16 5.593 -2.062 9.606 1.00 0.29 C ATOM 213 C THR A 16 6.160 -3.165 8.696 1.00 0.25 C ATOM 214 O THR A 16 5.773 -4.339 8.801 1.00 0.27 O ATOM 215 CB THR A 16 6.222 -2.152 11.017 1.00 0.38 C ATOM 216 OG1 THR A 16 5.568 -1.195 11.885 1.00 0.49 O ATOM 217 CG2 THR A 16 7.710 -1.823 10.966 1.00 0.47 C ATOM 0 H THR A 16 3.829 -2.226 10.673 1.00 0.26 H new ATOM 0 HA THR A 16 5.847 -1.104 9.153 1.00 0.29 H new ATOM 0 HB THR A 16 6.094 -3.167 11.393 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.959 -1.246 12.782 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.132 -1.892 11.968 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.217 -2.530 10.309 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.846 -0.811 10.584 1.00 0.47 H new ATOM 225 N ALA A 17 7.047 -2.745 7.794 1.00 0.28 N ATOM 226 CA ALA A 17 7.705 -3.612 6.830 1.00 0.30 C ATOM 227 C ALA A 17 8.457 -4.720 7.526 1.00 0.35 C ATOM 228 O ALA A 17 9.091 -4.495 8.560 1.00 0.40 O ATOM 229 CB ALA A 17 8.683 -2.803 5.991 1.00 0.37 C ATOM 0 H ALA A 17 7.331 -1.769 7.716 1.00 0.28 H new ATOM 0 HA ALA A 17 6.938 -4.051 6.192 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.173 -3.458 5.271 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.144 -2.018 5.460 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.433 -2.352 6.640 1.00 0.37 H new ATOM 235 N VAL A 18 8.406 -5.891 6.968 1.00 0.38 N ATOM 236 CA VAL A 18 9.107 -7.011 7.535 1.00 0.48 C ATOM 237 C VAL A 18 10.497 -7.114 6.915 1.00 0.56 C ATOM 238 O VAL A 18 10.659 -7.010 5.686 1.00 0.52 O ATOM 239 CB VAL A 18 8.315 -8.350 7.398 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.018 -8.278 8.193 1.00 0.57 C ATOM 241 CG2 VAL A 18 8.011 -8.674 5.941 1.00 0.52 C ATOM 0 H VAL A 18 7.885 -6.100 6.117 1.00 0.38 H new ATOM 0 HA VAL A 18 9.208 -6.835 8.606 1.00 0.48 H new ATOM 0 HB VAL A 18 8.942 -9.147 7.798 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.475 -9.217 8.089 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.245 -8.104 9.245 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.404 -7.461 7.815 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.459 -9.612 5.884 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.411 -7.874 5.508 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.945 -8.768 5.387 1.00 0.52 H new ATOM 251 N GLU A 19 11.486 -7.267 7.760 1.00 0.72 N ATOM 252 CA GLU A 19 12.864 -7.285 7.335 1.00 0.84 C ATOM 253 C GLU A 19 13.295 -8.658 6.880 1.00 0.84 C ATOM 254 O GLU A 19 13.537 -9.558 7.694 1.00 0.96 O ATOM 255 CB GLU A 19 13.786 -6.805 8.441 1.00 1.06 C ATOM 256 CG GLU A 19 13.559 -5.378 8.879 1.00 1.72 C ATOM 257 CD GLU A 19 14.567 -4.942 9.904 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.726 -4.661 9.539 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.223 -4.859 11.095 1.00 2.38 O ATOM 0 H GLU A 19 11.358 -7.383 8.765 1.00 0.72 H new ATOM 0 HA GLU A 19 12.937 -6.603 6.488 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.666 -7.459 9.305 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.818 -6.907 8.105 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.613 -4.719 8.013 1.00 1.72 H new ATOM 0 HG3 GLU A 19 12.555 -5.280 9.292 1.00 1.72 H new ATOM 266 N MET A 20 13.388 -8.807 5.598 1.00 0.79 N ATOM 267 CA MET A 20 13.846 -10.013 4.959 1.00 0.84 C ATOM 268 C MET A 20 14.384 -9.604 3.604 1.00 0.81 C ATOM 269 O MET A 20 14.545 -8.404 3.379 1.00 0.84 O ATOM 270 CB MET A 20 12.717 -11.073 4.864 1.00 0.88 C ATOM 271 CG MET A 20 11.459 -10.617 4.147 1.00 0.88 C ATOM 272 SD MET A 20 10.180 -11.896 4.099 1.00 0.88 S ATOM 273 CE MET A 20 8.899 -11.071 3.153 1.00 0.58 C ATOM 0 H MET A 20 13.140 -8.070 4.938 1.00 0.79 H new ATOM 0 HA MET A 20 14.631 -10.496 5.541 1.00 0.84 H new ATOM 0 HB2 MET A 20 13.109 -11.952 4.353 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.448 -11.385 5.873 1.00 0.88 H new ATOM 0 HG2 MET A 20 11.063 -9.732 4.644 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.712 -10.324 3.128 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.931 -11.514 3.387 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.884 -10.011 3.408 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.102 -11.185 2.088 1.00 0.58 H new ATOM 283 N HIS A 21 14.662 -10.539 2.708 1.00 0.92 N ATOM 284 CA HIS A 21 15.247 -10.164 1.406 1.00 1.01 C ATOM 285 C HIS A 21 14.251 -9.402 0.560 1.00 0.82 C ATOM 286 O HIS A 21 14.598 -8.437 -0.111 1.00 0.95 O ATOM 287 CB HIS A 21 15.819 -11.364 0.641 1.00 1.24 C ATOM 288 CG HIS A 21 17.048 -11.963 1.253 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.275 -11.982 0.627 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.227 -12.598 2.430 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.142 -12.598 1.394 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.531 -12.982 2.489 1.00 2.66 N ATOM 0 H HIS A 21 14.502 -11.538 2.840 1.00 0.92 H new ATOM 0 HA HIS A 21 16.089 -9.506 1.623 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.051 -12.134 0.572 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.051 -11.052 -0.377 1.00 1.24 H new ATOM 0 HD2 HIS A 21 16.475 -12.770 3.185 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.184 -12.762 1.163 1.00 2.75 H new ATOM 0 HE2 HIS A 21 18.964 -13.488 3.262 1.00 2.66 H new ATOM 301 N HIS A 22 13.023 -9.832 0.592 1.00 0.67 N ATOM 302 CA HIS A 22 11.966 -9.108 -0.072 1.00 0.59 C ATOM 303 C HIS A 22 11.278 -8.270 0.970 1.00 0.49 C ATOM 304 O HIS A 22 10.655 -8.804 1.867 1.00 0.57 O ATOM 305 CB HIS A 22 10.940 -10.054 -0.722 1.00 0.76 C ATOM 306 CG HIS A 22 11.467 -10.896 -1.843 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.912 -10.554 -3.073 1.00 1.52 N flip ATOM 308 CD2 HIS A 22 11.522 -12.267 -1.792 1.00 2.11 C flip ATOM 309 CE1 HIS A 22 12.219 -11.710 -3.727 1.00 2.06 C flip ATOM 310 NE2 HIS A 22 11.975 -12.728 -2.936 1.00 2.46 N flip ATOM 0 H HIS A 22 12.723 -10.682 1.070 1.00 0.67 H new ATOM 0 HA HIS A 22 12.393 -8.499 -0.869 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.539 -10.713 0.048 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.108 -9.458 -1.097 1.00 0.76 H new ATOM 0 HD2 HIS A 22 11.237 -12.872 -0.944 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.602 -11.777 -4.735 1.00 2.06 H new ATOM 0 HE2 HIS A 22 12.114 -13.711 -3.170 1.00 2.46 H new ATOM 319 N TRP A 23 11.375 -6.984 0.869 1.00 0.41 N ATOM 320 CA TRP A 23 10.779 -6.132 1.869 1.00 0.36 C ATOM 321 C TRP A 23 9.314 -5.978 1.578 1.00 0.32 C ATOM 322 O TRP A 23 8.922 -5.605 0.476 1.00 0.44 O ATOM 323 CB TRP A 23 11.474 -4.781 1.934 1.00 0.43 C ATOM 324 CG TRP A 23 12.876 -4.845 2.468 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.979 -5.337 1.836 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.325 -4.375 3.744 1.00 0.56 C ATOM 327 NE1 TRP A 23 15.082 -5.203 2.638 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.708 -4.617 3.814 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.689 -3.775 4.834 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.467 -4.274 4.928 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.445 -3.437 5.935 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.821 -3.688 5.975 1.00 0.86 C ATOM 0 H TRP A 23 11.855 -6.495 0.114 1.00 0.41 H new ATOM 0 HA TRP A 23 10.901 -6.596 2.848 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.495 -4.346 0.935 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.887 -4.111 2.561 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.983 -5.770 0.846 1.00 0.52 H new ATOM 0 HE1 TRP A 23 16.029 -5.494 2.396 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.627 -3.580 4.814 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.529 -4.465 4.962 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.967 -2.970 6.783 1.00 0.85 H new ATOM 0 HH2 TRP A 23 15.383 -3.411 6.855 1.00 0.86 H new ATOM 343 N CYS A 24 8.515 -6.299 2.543 1.00 0.27 N ATOM 344 CA CYS A 24 7.094 -6.320 2.366 1.00 0.25 C ATOM 345 C CYS A 24 6.413 -5.441 3.394 1.00 0.23 C ATOM 346 O CYS A 24 6.663 -5.580 4.601 1.00 0.25 O ATOM 347 CB CYS A 24 6.601 -7.776 2.478 1.00 0.28 C ATOM 348 SG CYS A 24 4.818 -8.031 2.173 1.00 0.30 S ATOM 0 H CYS A 24 8.827 -6.555 3.480 1.00 0.27 H new ATOM 0 HA CYS A 24 6.843 -5.927 1.381 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.163 -8.386 1.771 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.837 -8.145 3.476 1.00 0.28 H new ATOM 353 N ILE A 25 5.615 -4.504 2.913 1.00 0.20 N ATOM 354 CA ILE A 25 4.804 -3.644 3.758 1.00 0.19 C ATOM 355 C ILE A 25 3.342 -4.087 3.636 1.00 0.18 C ATOM 356 O ILE A 25 2.698 -3.829 2.606 1.00 0.18 O ATOM 357 CB ILE A 25 4.919 -2.147 3.332 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.378 -1.681 3.413 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.019 -1.262 4.207 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.613 -0.247 2.983 1.00 0.30 C ATOM 0 H ILE A 25 5.511 -4.317 1.916 1.00 0.20 H new ATOM 0 HA ILE A 25 5.158 -3.730 4.785 1.00 0.19 H new ATOM 0 HB ILE A 25 4.583 -2.056 2.299 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.726 -1.799 4.439 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.989 -2.336 2.792 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.115 -0.223 3.893 1.00 0.22 H new ATOM 0 HG22 ILE A 25 2.982 -1.579 4.100 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.321 -1.355 5.250 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.673 -0.009 3.075 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.301 -0.122 1.946 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.034 0.423 3.619 1.00 0.30 H new ATOM 372 N PRO A 26 2.814 -4.802 4.637 1.00 0.20 N ATOM 373 CA PRO A 26 1.427 -5.266 4.628 1.00 0.21 C ATOM 374 C PRO A 26 0.445 -4.127 4.913 1.00 0.21 C ATOM 375 O PRO A 26 0.620 -3.359 5.878 1.00 0.23 O ATOM 376 CB PRO A 26 1.374 -6.301 5.775 1.00 0.25 C ATOM 377 CG PRO A 26 2.792 -6.485 6.222 1.00 0.28 C ATOM 378 CD PRO A 26 3.512 -5.223 5.857 1.00 0.24 C ATOM 0 HA PRO A 26 1.144 -5.673 3.657 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.748 -5.946 6.594 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.946 -7.243 5.432 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.841 -6.665 7.296 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.246 -7.347 5.733 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.441 -4.473 6.645 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.573 -5.398 5.678 1.00 0.24 H new ATOM 386 N PHE A 27 -0.577 -4.011 4.096 1.00 0.23 N ATOM 387 CA PHE A 27 -1.569 -2.981 4.291 1.00 0.25 C ATOM 388 C PHE A 27 -2.948 -3.547 4.117 1.00 0.25 C ATOM 389 O PHE A 27 -3.139 -4.574 3.451 1.00 0.30 O ATOM 390 CB PHE A 27 -1.367 -1.779 3.339 1.00 0.27 C ATOM 391 CG PHE A 27 -1.608 -2.048 1.877 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.857 -1.801 1.289 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.593 -2.538 1.088 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.057 -2.047 -0.043 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.798 -2.781 -0.243 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.029 -2.537 -0.810 1.00 0.37 C ATOM 0 H PHE A 27 -0.742 -4.616 3.292 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.450 -2.612 5.310 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.032 -0.975 3.655 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.347 -1.414 3.458 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.666 -1.414 1.891 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.376 -2.733 1.524 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.022 -1.856 -0.490 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.008 -3.165 -0.851 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.186 -2.732 -1.861 1.00 0.37 H new ATOM 406 N SER A 28 -3.892 -2.916 4.727 1.00 0.25 N ATOM 407 CA SER A 28 -5.257 -3.287 4.599 1.00 0.28 C ATOM 408 C SER A 28 -6.124 -2.036 4.570 1.00 0.24 C ATOM 409 O SER A 28 -6.156 -1.244 5.524 1.00 0.27 O ATOM 410 CB SER A 28 -5.656 -4.256 5.714 1.00 0.41 C ATOM 411 OG SER A 28 -4.849 -5.437 5.642 1.00 0.88 O ATOM 0 H SER A 28 -3.733 -2.115 5.338 1.00 0.25 H new ATOM 0 HA SER A 28 -5.411 -3.816 3.658 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.531 -3.778 6.686 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.710 -4.518 5.621 1.00 0.41 H new ATOM 0 HG SER A 28 -5.379 -6.173 5.271 1.00 0.88 H new ATOM 417 N VAL A 29 -6.751 -1.834 3.453 1.00 0.23 N ATOM 418 CA VAL A 29 -7.622 -0.710 3.230 1.00 0.21 C ATOM 419 C VAL A 29 -9.038 -1.221 3.088 1.00 0.21 C ATOM 420 O VAL A 29 -9.292 -2.127 2.298 1.00 0.27 O ATOM 421 CB VAL A 29 -7.196 0.120 1.952 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.971 -0.791 0.762 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.257 1.172 1.599 1.00 0.26 C ATOM 0 H VAL A 29 -6.673 -2.457 2.649 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.551 -0.033 4.081 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.261 0.627 2.191 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.679 -0.195 -0.103 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.180 -1.504 0.994 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.891 -1.330 0.537 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.939 1.728 0.717 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.206 0.677 1.393 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.381 1.859 2.436 1.00 0.26 H new ATOM 433 N ASP A 30 -9.931 -0.708 3.862 1.00 0.27 N ATOM 434 CA ASP A 30 -11.300 -1.117 3.737 1.00 0.35 C ATOM 435 C ASP A 30 -12.164 0.055 3.433 1.00 0.37 C ATOM 436 O ASP A 30 -11.820 1.189 3.758 1.00 0.48 O ATOM 437 CB ASP A 30 -11.832 -1.907 4.948 1.00 0.51 C ATOM 438 CG ASP A 30 -11.961 -1.119 6.221 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.994 -1.081 7.012 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.001 -0.462 6.419 1.00 1.30 O ATOM 0 H ASP A 30 -9.748 -0.011 4.584 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.335 -1.817 2.902 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.809 -2.317 4.693 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.169 -2.753 5.129 1.00 0.51 H new ATOM 445 N GLY A 31 -13.224 -0.219 2.750 1.00 0.37 N ATOM 446 CA GLY A 31 -14.175 0.764 2.370 1.00 0.42 C ATOM 447 C GLY A 31 -15.135 0.142 1.427 1.00 0.46 C ATOM 448 O GLY A 31 -14.722 -0.656 0.577 1.00 0.60 O ATOM 0 H GLY A 31 -13.457 -1.160 2.433 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.697 1.146 3.247 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.677 1.613 1.901 1.00 0.42 H new ATOM 452 N GLN A 32 -16.396 0.441 1.568 1.00 0.55 N ATOM 453 CA GLN A 32 -17.373 -0.177 0.721 1.00 0.64 C ATOM 454 C GLN A 32 -17.401 0.520 -0.635 1.00 0.61 C ATOM 455 O GLN A 32 -17.364 -0.167 -1.665 1.00 0.68 O ATOM 456 CB GLN A 32 -18.731 -0.296 1.376 1.00 0.76 C ATOM 457 CG GLN A 32 -19.671 -1.191 0.618 1.00 0.99 C ATOM 458 CD GLN A 32 -20.981 -1.288 1.293 1.00 1.82 C ATOM 459 OE1 GLN A 32 -21.200 -2.155 2.141 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.851 -0.420 0.940 1.00 2.61 N ATOM 0 H GLN A 32 -16.767 1.100 2.252 1.00 0.55 H new ATOM 0 HA GLN A 32 -17.074 -1.211 0.549 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.608 -0.681 2.388 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.174 0.696 1.464 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.808 -0.806 -0.392 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.234 -2.185 0.524 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.618 0.277 0.233 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.778 -0.424 1.366 1.00 2.61 H new ATOM 469 N PRO A 33 -17.518 1.888 -0.700 1.00 0.59 N ATOM 470 CA PRO A 33 -17.168 2.579 -1.912 1.00 0.62 C ATOM 471 C PRO A 33 -15.691 2.304 -2.148 1.00 0.53 C ATOM 472 O PRO A 33 -14.837 2.609 -1.285 1.00 0.44 O ATOM 473 CB PRO A 33 -17.387 4.062 -1.583 1.00 0.67 C ATOM 474 CG PRO A 33 -18.360 4.059 -0.472 1.00 0.78 C ATOM 475 CD PRO A 33 -18.081 2.815 0.311 1.00 0.63 C ATOM 0 HA PRO A 33 -17.739 2.281 -2.792 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.454 4.545 -1.291 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.772 4.606 -2.445 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -18.246 4.947 0.150 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -19.383 4.063 -0.848 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.376 3.001 1.122 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.988 2.413 0.763 1.00 0.63 H new ATOM 483 N ALA A 34 -15.410 1.704 -3.259 1.00 0.62 N ATOM 484 CA ALA A 34 -14.095 1.258 -3.602 1.00 0.60 C ATOM 485 C ALA A 34 -13.140 2.440 -3.775 1.00 0.52 C ATOM 486 O ALA A 34 -13.351 3.286 -4.657 1.00 0.63 O ATOM 487 CB ALA A 34 -14.197 0.431 -4.861 1.00 0.78 C ATOM 0 H ALA A 34 -16.108 1.504 -3.975 1.00 0.62 H new ATOM 0 HA ALA A 34 -13.683 0.648 -2.798 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -13.206 0.078 -5.145 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -14.850 -0.424 -4.683 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -14.609 1.041 -5.665 1.00 0.78 H new ATOM 493 N PRO A 35 -12.097 2.548 -2.925 1.00 0.39 N ATOM 494 CA PRO A 35 -11.172 3.653 -2.989 1.00 0.35 C ATOM 495 C PRO A 35 -10.026 3.405 -3.962 1.00 0.41 C ATOM 496 O PRO A 35 -9.741 2.259 -4.353 1.00 0.56 O ATOM 497 CB PRO A 35 -10.641 3.728 -1.555 1.00 0.29 C ATOM 498 CG PRO A 35 -10.582 2.308 -1.110 1.00 0.31 C ATOM 499 CD PRO A 35 -11.736 1.603 -1.824 1.00 0.37 C ATOM 0 HA PRO A 35 -11.648 4.567 -3.345 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.658 4.197 -1.519 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.299 4.318 -0.917 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.625 1.855 -1.371 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.686 2.232 -0.028 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.433 0.631 -2.213 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.577 1.429 -1.153 1.00 0.37 H new ATOM 507 N SER A 36 -9.418 4.468 -4.372 1.00 0.39 N ATOM 508 CA SER A 36 -8.248 4.426 -5.191 1.00 0.44 C ATOM 509 C SER A 36 -7.031 4.700 -4.303 1.00 0.37 C ATOM 510 O SER A 36 -7.056 5.636 -3.476 1.00 0.41 O ATOM 511 CB SER A 36 -8.401 5.460 -6.300 1.00 0.57 C ATOM 512 OG SER A 36 -8.925 6.683 -5.768 1.00 1.37 O ATOM 0 H SER A 36 -9.726 5.413 -4.143 1.00 0.39 H new ATOM 0 HA SER A 36 -8.111 3.451 -5.659 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.435 5.644 -6.771 1.00 0.57 H new ATOM 0 HB3 SER A 36 -9.066 5.078 -7.074 1.00 0.57 H new ATOM 0 HG SER A 36 -8.548 6.840 -4.877 1.00 1.37 H new ATOM 518 N LEU A 37 -6.010 3.882 -4.422 1.00 0.33 N ATOM 519 CA LEU A 37 -4.841 4.000 -3.572 1.00 0.30 C ATOM 520 C LEU A 37 -3.732 4.761 -4.275 1.00 0.32 C ATOM 521 O LEU A 37 -3.684 4.813 -5.511 1.00 0.50 O ATOM 522 CB LEU A 37 -4.326 2.610 -3.172 1.00 0.32 C ATOM 523 CG LEU A 37 -5.309 1.689 -2.444 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.677 0.336 -2.226 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.704 2.282 -1.113 1.00 0.27 C ATOM 0 H LEU A 37 -5.963 3.123 -5.102 1.00 0.33 H new ATOM 0 HA LEU A 37 -5.136 4.550 -2.678 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.989 2.101 -4.075 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.451 2.743 -2.536 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.202 1.580 -3.059 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.381 -0.315 -1.708 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.417 -0.104 -3.189 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.776 0.448 -1.624 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.403 1.614 -0.610 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.816 2.411 -0.494 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.179 3.250 -1.273 1.00 0.27 H new ATOM 537 N ARG A 38 -2.881 5.378 -3.491 1.00 0.23 N ATOM 538 CA ARG A 38 -1.697 6.065 -3.973 1.00 0.23 C ATOM 539 C ARG A 38 -0.672 6.111 -2.859 1.00 0.22 C ATOM 540 O ARG A 38 -1.025 6.371 -1.702 1.00 0.26 O ATOM 541 CB ARG A 38 -2.028 7.496 -4.455 1.00 0.28 C ATOM 542 CG ARG A 38 -0.812 8.302 -4.925 1.00 0.33 C ATOM 543 CD ARG A 38 -1.217 9.631 -5.545 1.00 1.28 C ATOM 544 NE ARG A 38 -1.910 10.523 -4.601 1.00 1.98 N ATOM 545 CZ ARG A 38 -3.017 11.239 -4.894 1.00 3.10 C ATOM 546 NH1 ARG A 38 -3.643 11.080 -6.075 1.00 3.72 N ATOM 547 NH2 ARG A 38 -3.501 12.097 -4.001 1.00 3.78 N ATOM 0 H ARG A 38 -2.991 5.420 -2.478 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.298 5.519 -4.828 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.746 7.434 -5.273 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.515 8.036 -3.643 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.148 8.483 -4.080 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.249 7.718 -5.653 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -0.327 10.134 -5.924 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -1.866 9.443 -6.400 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.527 10.606 -3.659 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -3.282 10.414 -6.758 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -4.478 11.625 -6.287 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -3.037 12.212 -3.100 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -4.337 12.640 -4.217 1.00 3.78 H new ATOM 561 N TRP A 39 0.564 5.826 -3.183 1.00 0.22 N ATOM 562 CA TRP A 39 1.635 5.894 -2.224 1.00 0.22 C ATOM 563 C TRP A 39 2.346 7.221 -2.346 1.00 0.20 C ATOM 564 O TRP A 39 2.841 7.585 -3.427 1.00 0.26 O ATOM 565 CB TRP A 39 2.654 4.784 -2.438 1.00 0.25 C ATOM 566 CG TRP A 39 2.175 3.402 -2.175 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.773 2.493 -3.098 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.073 2.757 -0.903 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.436 1.320 -2.483 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.604 1.454 -1.137 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.336 3.156 0.411 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.389 0.544 -0.110 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.123 2.252 1.429 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.654 0.958 1.162 1.00 0.26 C ATOM 0 H TRP A 39 0.855 5.541 -4.118 1.00 0.22 H new ATOM 0 HA TRP A 39 1.193 5.780 -1.234 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.007 4.835 -3.468 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.514 4.978 -1.796 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.726 2.670 -4.162 1.00 0.29 H new ATOM 0 HE1 TRP A 39 1.110 0.477 -2.956 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.698 4.151 0.623 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.026 -0.453 -0.311 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.321 2.545 2.449 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.499 0.273 1.983 1.00 0.26 H new ATOM 585 N LEU A 40 2.380 7.949 -1.285 1.00 0.25 N ATOM 586 CA LEU A 40 3.100 9.178 -1.254 1.00 0.24 C ATOM 587 C LEU A 40 4.298 8.960 -0.357 1.00 0.27 C ATOM 588 O LEU A 40 4.159 8.492 0.769 1.00 0.34 O ATOM 589 CB LEU A 40 2.215 10.307 -0.717 1.00 0.31 C ATOM 590 CG LEU A 40 2.758 11.726 -0.853 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.842 12.107 -2.315 1.00 0.66 C ATOM 592 CD2 LEU A 40 1.882 12.705 -0.101 1.00 0.95 C ATOM 0 H LEU A 40 1.909 7.711 -0.412 1.00 0.25 H new ATOM 0 HA LEU A 40 3.416 9.471 -2.255 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.254 10.260 -1.230 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.023 10.116 0.339 1.00 0.31 H new ATOM 0 HG LEU A 40 3.758 11.762 -0.421 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.230 13.121 -2.405 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.507 11.416 -2.833 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.849 12.058 -2.761 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.285 13.712 -0.210 1.00 0.95 H new ATOM 0 HD22 LEU A 40 0.871 12.674 -0.506 1.00 0.95 H new ATOM 0 HD23 LEU A 40 1.859 12.436 0.955 1.00 0.95 H new ATOM 604 N PHE A 41 5.446 9.267 -0.842 1.00 0.28 N ATOM 605 CA PHE A 41 6.666 9.047 -0.127 1.00 0.35 C ATOM 606 C PHE A 41 7.362 10.379 0.119 1.00 0.38 C ATOM 607 O PHE A 41 7.982 10.946 -0.782 1.00 0.41 O ATOM 608 CB PHE A 41 7.552 8.066 -0.917 1.00 0.45 C ATOM 609 CG PHE A 41 8.866 7.765 -0.274 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.040 8.276 -0.796 1.00 0.75 C ATOM 611 CD2 PHE A 41 8.928 6.977 0.856 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.246 8.005 -0.201 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.131 6.703 1.453 1.00 0.74 C ATOM 614 CZ PHE A 41 11.291 7.216 0.925 1.00 0.86 C ATOM 0 H PHE A 41 5.574 9.686 -1.763 1.00 0.28 H new ATOM 0 HA PHE A 41 6.460 8.600 0.846 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.006 7.132 -1.054 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.733 8.478 -1.910 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.007 8.894 -1.681 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.019 6.571 1.275 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.157 8.410 -0.615 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.167 6.084 2.338 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.239 7.000 1.394 1.00 0.86 H new ATOM 624 N ASN A 42 7.175 10.896 1.330 1.00 0.46 N ATOM 625 CA ASN A 42 7.754 12.173 1.800 1.00 0.57 C ATOM 626 C ASN A 42 7.547 13.325 0.822 1.00 0.53 C ATOM 627 O ASN A 42 8.478 14.096 0.545 1.00 0.69 O ATOM 628 CB ASN A 42 9.247 12.052 2.174 1.00 0.73 C ATOM 629 CG ASN A 42 9.509 11.171 3.372 1.00 1.12 C ATOM 630 OD1 ASN A 42 9.752 9.979 3.234 1.00 1.79 O ATOM 631 ND2 ASN A 42 9.470 11.741 4.555 1.00 1.72 N ATOM 0 H ASN A 42 6.604 10.435 2.038 1.00 0.46 H new ATOM 0 HA ASN A 42 7.197 12.409 2.707 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.795 11.657 1.318 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.643 13.048 2.374 1.00 0.73 H new ATOM 0 HD21 ASN A 42 9.645 11.188 5.394 1.00 1.72 H new ATOM 0 HD22 ASN A 42 9.265 12.737 4.635 1.00 1.72 H new ATOM 638 N GLY A 43 6.350 13.424 0.277 1.00 0.45 N ATOM 639 CA GLY A 43 6.035 14.525 -0.618 1.00 0.51 C ATOM 640 C GLY A 43 6.141 14.166 -2.090 1.00 0.47 C ATOM 641 O GLY A 43 5.640 14.899 -2.948 1.00 0.61 O ATOM 0 H GLY A 43 5.587 12.766 0.434 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.023 14.872 -0.410 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.707 15.357 -0.407 1.00 0.51 H new ATOM 645 N SER A 44 6.770 13.062 -2.388 1.00 0.38 N ATOM 646 CA SER A 44 6.938 12.623 -3.755 1.00 0.40 C ATOM 647 C SER A 44 6.033 11.446 -3.979 1.00 0.33 C ATOM 648 O SER A 44 5.781 10.669 -3.065 1.00 0.28 O ATOM 649 CB SER A 44 8.408 12.242 -3.997 1.00 0.51 C ATOM 650 OG SER A 44 8.693 12.016 -5.378 1.00 1.37 O ATOM 0 H SER A 44 7.182 12.439 -1.694 1.00 0.38 H new ATOM 0 HA SER A 44 6.679 13.419 -4.454 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.053 13.037 -3.621 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.646 11.343 -3.428 1.00 0.51 H new ATOM 0 HG SER A 44 9.638 11.779 -5.482 1.00 1.37 H new ATOM 656 N VAL A 45 5.497 11.344 -5.156 1.00 0.41 N ATOM 657 CA VAL A 45 4.632 10.253 -5.480 1.00 0.41 C ATOM 658 C VAL A 45 5.480 9.037 -5.773 1.00 0.39 C ATOM 659 O VAL A 45 6.438 9.114 -6.553 1.00 0.45 O ATOM 660 CB VAL A 45 3.728 10.563 -6.699 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.865 9.375 -7.034 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.856 11.760 -6.436 1.00 0.70 C ATOM 0 H VAL A 45 5.646 12.010 -5.914 1.00 0.41 H new ATOM 0 HA VAL A 45 3.975 10.074 -4.629 1.00 0.41 H new ATOM 0 HB VAL A 45 4.379 10.784 -7.545 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.237 9.612 -7.893 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.499 8.521 -7.272 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.234 9.131 -6.179 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.232 11.954 -7.308 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.221 11.565 -5.572 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.482 12.630 -6.237 1.00 0.70 H new ATOM 672 N LEU A 46 5.163 7.941 -5.139 1.00 0.37 N ATOM 673 CA LEU A 46 5.891 6.732 -5.352 1.00 0.40 C ATOM 674 C LEU A 46 5.396 6.077 -6.620 1.00 0.44 C ATOM 675 O LEU A 46 4.205 5.764 -6.750 1.00 0.51 O ATOM 676 CB LEU A 46 5.726 5.785 -4.181 1.00 0.44 C ATOM 677 CG LEU A 46 6.497 4.474 -4.276 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.999 4.722 -4.215 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.057 3.527 -3.187 1.00 0.61 C ATOM 0 H LEU A 46 4.399 7.866 -4.467 1.00 0.37 H new ATOM 0 HA LEU A 46 6.951 6.969 -5.445 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.036 6.302 -3.273 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.666 5.555 -4.071 1.00 0.44 H new ATOM 0 HG LEU A 46 6.277 4.012 -5.239 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.528 3.771 -4.285 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.296 5.364 -5.044 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.249 5.208 -3.272 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.616 2.595 -3.267 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.245 3.980 -2.213 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.992 3.321 -3.292 1.00 0.61 H new ATOM 691 N ASN A 47 6.281 5.908 -7.545 1.00 0.54 N ATOM 692 CA ASN A 47 5.952 5.315 -8.808 1.00 0.59 C ATOM 693 C ASN A 47 6.275 3.833 -8.758 1.00 0.53 C ATOM 694 O ASN A 47 7.402 3.451 -8.373 1.00 0.64 O ATOM 695 CB ASN A 47 6.742 6.018 -9.929 1.00 0.79 C ATOM 696 CG ASN A 47 6.507 5.430 -11.310 1.00 1.54 C ATOM 697 OD1 ASN A 47 7.238 4.545 -11.760 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.510 5.922 -11.992 1.00 1.94 N ATOM 0 H ASN A 47 7.260 6.177 -7.450 1.00 0.54 H new ATOM 0 HA ASN A 47 4.889 5.434 -9.016 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.471 7.074 -9.944 1.00 0.79 H new ATOM 0 HB3 ASN A 47 7.806 5.965 -9.699 1.00 0.79 H new ATOM 0 HD21 ASN A 47 5.314 5.575 -12.931 1.00 1.94 H new ATOM 0 HD22 ASN A 47 4.927 6.654 -11.587 1.00 1.94 H new ATOM 705 N GLU A 48 5.284 3.011 -9.083 1.00 0.49 N ATOM 706 CA GLU A 48 5.426 1.555 -9.118 1.00 0.53 C ATOM 707 C GLU A 48 6.523 1.181 -10.101 1.00 0.53 C ATOM 708 O GLU A 48 6.469 1.546 -11.277 1.00 0.70 O ATOM 709 CB GLU A 48 4.115 0.919 -9.579 1.00 0.69 C ATOM 710 CG GLU A 48 2.926 1.120 -8.653 1.00 0.74 C ATOM 711 CD GLU A 48 2.860 0.129 -7.521 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.969 0.521 -6.364 1.00 1.56 O ATOM 713 OE2 GLU A 48 2.616 -1.073 -7.782 1.00 1.74 O ATOM 0 H GLU A 48 4.350 3.336 -9.332 1.00 0.49 H new ATOM 0 HA GLU A 48 5.678 1.196 -8.120 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.861 1.322 -10.559 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.276 -0.151 -9.707 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.967 2.128 -8.239 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.008 1.052 -9.237 1.00 0.74 H new ATOM 720 N THR A 49 7.498 0.487 -9.637 1.00 0.53 N ATOM 721 CA THR A 49 8.598 0.102 -10.459 1.00 0.58 C ATOM 722 C THR A 49 8.771 -1.399 -10.415 1.00 0.60 C ATOM 723 O THR A 49 7.922 -2.103 -9.869 1.00 0.65 O ATOM 724 CB THR A 49 9.903 0.792 -9.999 1.00 0.71 C ATOM 725 OG1 THR A 49 10.062 0.615 -8.581 1.00 1.57 O ATOM 726 CG2 THR A 49 9.904 2.273 -10.339 1.00 0.98 C ATOM 0 H THR A 49 7.560 0.166 -8.671 1.00 0.53 H new ATOM 0 HA THR A 49 8.386 0.415 -11.481 1.00 0.58 H new ATOM 0 HB THR A 49 10.737 0.331 -10.528 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.890 1.050 -8.288 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.837 2.723 -10.000 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.811 2.399 -11.418 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.065 2.761 -9.843 1.00 0.98 H new ATOM 734 N SER A 50 9.826 -1.893 -10.984 1.00 0.68 N ATOM 735 CA SER A 50 10.121 -3.294 -10.905 1.00 0.78 C ATOM 736 C SER A 50 10.649 -3.601 -9.489 1.00 0.72 C ATOM 737 O SER A 50 10.400 -4.677 -8.915 1.00 0.86 O ATOM 738 CB SER A 50 11.165 -3.652 -11.982 1.00 0.96 C ATOM 739 OG SER A 50 11.441 -5.038 -12.022 1.00 1.52 O ATOM 0 H SER A 50 10.504 -1.344 -11.513 1.00 0.68 H new ATOM 0 HA SER A 50 9.228 -3.893 -11.086 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.803 -3.328 -12.958 1.00 0.96 H new ATOM 0 HB3 SER A 50 12.088 -3.106 -11.786 1.00 0.96 H new ATOM 0 HG SER A 50 12.106 -5.219 -12.719 1.00 1.52 H new ATOM 745 N PHE A 51 11.305 -2.616 -8.906 1.00 0.64 N ATOM 746 CA PHE A 51 11.942 -2.787 -7.623 1.00 0.68 C ATOM 747 C PHE A 51 10.933 -2.605 -6.504 1.00 0.55 C ATOM 748 O PHE A 51 10.916 -3.379 -5.551 1.00 0.61 O ATOM 749 CB PHE A 51 13.059 -1.749 -7.453 1.00 0.87 C ATOM 750 CG PHE A 51 14.011 -1.672 -8.614 1.00 1.08 C ATOM 751 CD1 PHE A 51 15.066 -2.555 -8.725 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.840 -0.707 -9.597 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.933 -2.482 -9.794 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.703 -0.630 -10.665 1.00 1.37 C ATOM 755 CZ PHE A 51 15.750 -1.519 -10.765 1.00 1.52 C ATOM 0 H PHE A 51 11.409 -1.684 -9.308 1.00 0.64 H new ATOM 0 HA PHE A 51 12.358 -3.793 -7.578 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.608 -0.768 -7.302 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.623 -1.983 -6.550 1.00 0.87 H new ATOM 0 HD1 PHE A 51 15.214 -3.310 -7.967 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.020 -0.009 -9.522 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.755 -3.178 -9.872 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.560 0.126 -11.423 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.428 -1.462 -11.604 1.00 1.52 H new ATOM 765 N ILE A 52 10.073 -1.613 -6.658 1.00 0.46 N ATOM 766 CA ILE A 52 9.093 -1.252 -5.642 1.00 0.39 C ATOM 767 C ILE A 52 7.713 -1.277 -6.280 1.00 0.37 C ATOM 768 O ILE A 52 7.402 -0.393 -7.077 1.00 0.43 O ATOM 769 CB ILE A 52 9.342 0.218 -5.160 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.815 0.448 -4.805 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.453 0.566 -3.961 1.00 0.41 C ATOM 772 CD1 ILE A 52 11.131 1.879 -4.421 1.00 0.50 C ATOM 0 H ILE A 52 10.033 -1.031 -7.495 1.00 0.46 H new ATOM 0 HA ILE A 52 9.172 -1.948 -4.807 1.00 0.39 H new ATOM 0 HB ILE A 52 9.081 0.876 -5.989 1.00 0.41 H new ATOM 0 HG12 ILE A 52 11.088 -0.209 -3.979 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.434 0.164 -5.656 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.648 1.592 -3.649 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.405 0.466 -4.244 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.673 -0.112 -3.136 1.00 0.41 H new ATOM 0 HD11 ILE A 52 12.191 1.966 -4.183 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.890 2.541 -5.253 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.539 2.161 -3.550 1.00 0.50 H new ATOM 784 N PHE A 53 6.903 -2.265 -5.972 1.00 0.33 N ATOM 785 CA PHE A 53 5.551 -2.313 -6.518 1.00 0.37 C ATOM 786 C PHE A 53 4.598 -2.922 -5.514 1.00 0.31 C ATOM 787 O PHE A 53 5.010 -3.674 -4.617 1.00 0.29 O ATOM 788 CB PHE A 53 5.485 -3.063 -7.876 1.00 0.48 C ATOM 789 CG PHE A 53 5.814 -4.535 -7.843 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.122 -4.973 -8.030 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.831 -5.472 -7.600 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.432 -6.315 -7.977 1.00 2.87 C ATOM 793 CE2 PHE A 53 5.136 -6.814 -7.549 1.00 2.02 C ATOM 794 CZ PHE A 53 6.406 -7.247 -7.830 1.00 2.89 C ATOM 0 H PHE A 53 7.145 -3.040 -5.355 1.00 0.33 H new ATOM 0 HA PHE A 53 5.245 -1.286 -6.715 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.481 -2.946 -8.283 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.169 -2.575 -8.570 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.904 -4.252 -8.219 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.811 -5.150 -7.448 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.459 -6.641 -8.049 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.371 -7.529 -7.286 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.610 -8.302 -7.937 1.00 2.89 H new ATOM 804 N THR A 54 3.349 -2.595 -5.655 1.00 0.35 N ATOM 805 CA THR A 54 2.327 -3.058 -4.772 1.00 0.35 C ATOM 806 C THR A 54 1.694 -4.349 -5.302 1.00 0.35 C ATOM 807 O THR A 54 1.168 -4.379 -6.416 1.00 0.40 O ATOM 808 CB THR A 54 1.222 -1.994 -4.636 1.00 0.39 C ATOM 809 OG1 THR A 54 1.798 -0.716 -4.340 1.00 0.43 O ATOM 810 CG2 THR A 54 0.280 -2.358 -3.516 1.00 0.44 C ATOM 0 H THR A 54 3.008 -1.988 -6.401 1.00 0.35 H new ATOM 0 HA THR A 54 2.786 -3.249 -3.802 1.00 0.35 H new ATOM 0 HB THR A 54 0.679 -1.950 -5.580 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.974 -0.235 -5.176 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.496 -1.597 -3.431 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.180 -3.323 -3.727 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.834 -2.417 -2.579 1.00 0.44 H new ATOM 818 N GLU A 55 1.757 -5.398 -4.519 1.00 0.36 N ATOM 819 CA GLU A 55 1.119 -6.649 -4.858 1.00 0.42 C ATOM 820 C GLU A 55 -0.225 -6.682 -4.139 1.00 0.44 C ATOM 821 O GLU A 55 -0.299 -6.326 -2.955 1.00 0.57 O ATOM 822 CB GLU A 55 1.985 -7.842 -4.415 1.00 0.60 C ATOM 823 CG GLU A 55 1.410 -9.198 -4.815 1.00 1.21 C ATOM 824 CD GLU A 55 2.194 -10.370 -4.278 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.155 -10.805 -4.942 1.00 1.67 O ATOM 826 OE2 GLU A 55 1.897 -10.849 -3.159 1.00 2.04 O ATOM 0 H GLU A 55 2.252 -5.410 -3.627 1.00 0.36 H new ATOM 0 HA GLU A 55 0.986 -6.724 -5.937 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.980 -7.737 -4.847 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.103 -7.812 -3.332 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.382 -9.266 -4.460 1.00 1.21 H new ATOM 0 HG3 GLU A 55 1.376 -9.262 -5.903 1.00 1.21 H new ATOM 833 N PHE A 56 -1.268 -7.061 -4.839 1.00 0.52 N ATOM 834 CA PHE A 56 -2.605 -7.110 -4.266 1.00 0.62 C ATOM 835 C PHE A 56 -3.173 -8.514 -4.292 1.00 0.73 C ATOM 836 O PHE A 56 -2.936 -9.281 -5.244 1.00 0.87 O ATOM 837 CB PHE A 56 -3.579 -6.224 -5.053 1.00 0.68 C ATOM 838 CG PHE A 56 -3.336 -4.750 -4.989 1.00 0.63 C ATOM 839 CD1 PHE A 56 -3.808 -4.017 -3.924 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.671 -4.091 -6.012 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.628 -2.657 -3.870 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.481 -2.726 -5.963 1.00 0.59 C ATOM 843 CZ PHE A 56 -2.963 -2.005 -4.887 1.00 0.61 C ATOM 0 H PHE A 56 -1.221 -7.344 -5.818 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.504 -6.759 -3.239 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.551 -6.530 -6.099 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.588 -6.420 -4.691 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.327 -4.518 -3.120 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.298 -4.653 -6.856 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.008 -2.096 -3.029 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -1.958 -2.222 -6.762 1.00 0.59 H new ATOM 0 HZ PHE A 56 -2.819 -0.935 -4.843 1.00 0.61 H new ATOM 853 N LEU A 57 -3.921 -8.843 -3.264 1.00 0.77 N ATOM 854 CA LEU A 57 -4.686 -10.057 -3.242 1.00 0.93 C ATOM 855 C LEU A 57 -6.130 -9.625 -3.421 1.00 1.04 C ATOM 856 O LEU A 57 -6.444 -8.435 -3.268 1.00 1.04 O ATOM 857 CB LEU A 57 -4.446 -10.888 -1.937 1.00 1.01 C ATOM 858 CG LEU A 57 -4.983 -10.365 -0.592 1.00 0.99 C ATOM 859 CD1 LEU A 57 -6.480 -10.657 -0.442 1.00 1.25 C ATOM 860 CD2 LEU A 57 -4.200 -10.987 0.557 1.00 1.16 C ATOM 0 H LEU A 57 -4.013 -8.274 -2.423 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.385 -10.738 -4.038 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -4.875 -11.877 -2.097 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -3.370 -11.021 -1.829 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.852 -9.283 -0.567 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -6.831 -10.276 0.517 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -7.028 -10.170 -1.248 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -6.647 -11.733 -0.488 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -4.586 -10.612 1.505 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -4.307 -12.071 0.525 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -3.146 -10.723 0.464 1.00 1.16 H new ATOM 872 N GLU A 58 -6.995 -10.537 -3.719 1.00 1.18 N ATOM 873 CA GLU A 58 -8.346 -10.178 -4.051 1.00 1.31 C ATOM 874 C GLU A 58 -9.333 -10.441 -2.928 1.00 1.24 C ATOM 875 O GLU A 58 -9.383 -11.541 -2.365 1.00 1.32 O ATOM 876 CB GLU A 58 -8.764 -10.903 -5.289 1.00 1.61 C ATOM 877 CG GLU A 58 -7.971 -10.490 -6.512 1.00 2.01 C ATOM 878 CD GLU A 58 -8.374 -11.236 -7.737 1.00 2.65 C ATOM 879 OE1 GLU A 58 -7.867 -12.362 -7.949 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.181 -10.714 -8.528 1.00 2.90 O ATOM 0 H GLU A 58 -6.797 -11.537 -3.741 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.358 -9.101 -4.220 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -8.648 -11.975 -5.132 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.823 -10.720 -5.471 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -8.103 -9.422 -6.682 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.910 -10.654 -6.324 1.00 2.01 H new ATOM 887 N PRO A 59 -10.116 -9.419 -2.581 1.00 1.21 N ATOM 888 CA PRO A 59 -11.184 -9.532 -1.603 1.00 1.25 C ATOM 889 C PRO A 59 -12.423 -10.184 -2.233 1.00 1.26 C ATOM 890 O PRO A 59 -12.581 -10.210 -3.470 1.00 1.35 O ATOM 891 CB PRO A 59 -11.480 -8.069 -1.258 1.00 1.37 C ATOM 892 CG PRO A 59 -11.147 -7.311 -2.489 1.00 1.39 C ATOM 893 CD PRO A 59 -10.010 -8.043 -3.128 1.00 1.30 C ATOM 0 HA PRO A 59 -10.918 -10.143 -0.740 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -12.525 -7.932 -0.981 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.879 -7.733 -0.413 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -12.005 -7.260 -3.160 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -10.866 -6.285 -2.252 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.093 -8.038 -4.215 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -9.052 -7.587 -2.879 1.00 1.30 H new ATOM 901 N ALA A 60 -13.282 -10.711 -1.401 1.00 1.29 N ATOM 902 CA ALA A 60 -14.498 -11.324 -1.853 1.00 1.40 C ATOM 903 C ALA A 60 -15.603 -10.283 -1.871 1.00 1.40 C ATOM 904 O ALA A 60 -15.372 -9.156 -1.429 1.00 1.33 O ATOM 905 CB ALA A 60 -14.866 -12.506 -0.978 1.00 1.53 C ATOM 0 H ALA A 60 -13.156 -10.726 -0.389 1.00 1.29 H new ATOM 0 HA ALA A 60 -14.357 -11.707 -2.864 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -15.791 -12.953 -1.341 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -14.067 -13.247 -1.012 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -15.005 -12.169 0.049 1.00 1.53 H new ATOM 911 N ALA A 61 -16.780 -10.641 -2.333 1.00 1.55 N ATOM 912 CA ALA A 61 -17.864 -9.671 -2.514 1.00 1.65 C ATOM 913 C ALA A 61 -18.232 -8.950 -1.213 1.00 1.59 C ATOM 914 O ALA A 61 -18.478 -7.728 -1.204 1.00 1.70 O ATOM 915 CB ALA A 61 -19.083 -10.328 -3.145 1.00 1.91 C ATOM 0 H ALA A 61 -17.022 -11.597 -2.594 1.00 1.55 H new ATOM 0 HA ALA A 61 -17.494 -8.907 -3.198 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -19.873 -9.587 -3.268 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -18.813 -10.736 -4.119 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -19.438 -11.132 -2.500 1.00 1.91 H new ATOM 921 N ASN A 62 -18.224 -9.680 -0.128 1.00 1.52 N ATOM 922 CA ASN A 62 -18.550 -9.120 1.175 1.00 1.56 C ATOM 923 C ASN A 62 -17.310 -8.712 1.946 1.00 1.33 C ATOM 924 O ASN A 62 -17.337 -8.576 3.162 1.00 1.40 O ATOM 925 CB ASN A 62 -19.439 -10.059 2.001 1.00 1.82 C ATOM 926 CG ASN A 62 -20.862 -10.143 1.470 1.00 2.72 C ATOM 927 OD1 ASN A 62 -21.392 -9.179 0.890 1.00 3.49 O ATOM 928 ND2 ASN A 62 -21.498 -11.263 1.665 1.00 3.19 N ATOM 0 H ASN A 62 -17.994 -10.674 -0.113 1.00 1.52 H new ATOM 0 HA ASN A 62 -19.126 -8.214 0.986 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.999 -11.056 2.007 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -19.462 -9.714 3.035 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -22.459 -11.368 1.338 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -21.035 -12.035 2.144 1.00 3.19 H new ATOM 935 N GLU A 63 -16.219 -8.543 1.240 1.00 1.20 N ATOM 936 CA GLU A 63 -15.014 -8.020 1.824 1.00 1.07 C ATOM 937 C GLU A 63 -14.790 -6.661 1.245 1.00 0.90 C ATOM 938 O GLU A 63 -14.532 -6.524 0.049 1.00 0.97 O ATOM 939 CB GLU A 63 -13.794 -8.891 1.503 1.00 1.16 C ATOM 940 CG GLU A 63 -13.809 -10.268 2.111 1.00 1.31 C ATOM 941 CD GLU A 63 -13.661 -10.257 3.602 1.00 1.42 C ATOM 942 OE1 GLU A 63 -12.531 -10.349 4.097 1.00 1.48 O ATOM 943 OE2 GLU A 63 -14.669 -10.096 4.311 1.00 1.89 O ATOM 0 H GLU A 63 -16.144 -8.764 0.247 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.130 -7.996 2.908 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.714 -8.991 0.421 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.898 -8.372 1.842 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -14.744 -10.764 1.849 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.002 -10.859 1.677 1.00 1.31 H new ATOM 950 N THR A 64 -14.895 -5.660 2.056 1.00 0.80 N ATOM 951 CA THR A 64 -14.632 -4.328 1.597 1.00 0.74 C ATOM 952 C THR A 64 -13.182 -3.984 1.886 1.00 0.59 C ATOM 953 O THR A 64 -12.704 -2.881 1.597 1.00 0.61 O ATOM 954 CB THR A 64 -15.598 -3.301 2.249 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.487 -3.335 3.688 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.034 -3.611 1.852 1.00 1.15 C ATOM 0 H THR A 64 -15.160 -5.734 3.038 1.00 0.80 H new ATOM 0 HA THR A 64 -14.805 -4.280 0.522 1.00 0.74 H new ATOM 0 HB THR A 64 -15.324 -2.307 1.895 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.102 -2.680 4.079 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.704 -2.886 2.314 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.132 -3.556 0.768 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.296 -4.614 2.190 1.00 1.15 H new ATOM 964 N VAL A 65 -12.479 -4.965 2.427 1.00 0.53 N ATOM 965 CA VAL A 65 -11.112 -4.813 2.826 1.00 0.45 C ATOM 966 C VAL A 65 -10.210 -5.386 1.760 1.00 0.42 C ATOM 967 O VAL A 65 -10.357 -6.538 1.366 1.00 0.49 O ATOM 968 CB VAL A 65 -10.796 -5.571 4.127 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.502 -5.071 4.736 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.949 -5.531 5.111 1.00 0.61 C ATOM 0 H VAL A 65 -12.857 -5.897 2.599 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.947 -3.746 2.978 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.658 -6.622 3.873 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -9.297 -5.620 5.655 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.685 -5.225 4.031 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.592 -4.008 4.960 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.677 -6.080 6.013 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -12.171 -4.496 5.369 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.829 -5.989 4.659 1.00 0.61 H new ATOM 980 N ARG A 66 -9.286 -4.606 1.325 1.00 0.37 N ATOM 981 CA ARG A 66 -8.315 -5.030 0.360 1.00 0.36 C ATOM 982 C ARG A 66 -7.043 -5.274 1.107 1.00 0.34 C ATOM 983 O ARG A 66 -6.706 -4.513 2.022 1.00 0.41 O ATOM 984 CB ARG A 66 -8.074 -3.958 -0.698 1.00 0.42 C ATOM 985 CG ARG A 66 -9.322 -3.493 -1.404 1.00 1.13 C ATOM 986 CD ARG A 66 -9.009 -2.434 -2.437 1.00 1.10 C ATOM 987 NE ARG A 66 -10.228 -1.964 -3.080 1.00 0.82 N ATOM 988 CZ ARG A 66 -10.381 -1.782 -4.402 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.344 -1.904 -5.231 1.00 1.61 N ATOM 990 NH2 ARG A 66 -11.576 -1.505 -4.887 1.00 1.84 N ATOM 0 H ARG A 66 -9.175 -3.639 1.629 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.669 -5.924 -0.153 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.596 -3.099 -0.226 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.374 -4.346 -1.439 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -9.807 -4.342 -1.886 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.028 -3.095 -0.675 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -8.496 -1.597 -1.963 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.330 -2.840 -3.187 1.00 1.10 H new ATOM 0 HE ARG A 66 -11.027 -1.757 -2.481 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.422 -2.138 -4.863 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -9.473 -1.763 -6.233 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -12.376 -1.430 -4.259 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -11.700 -1.366 -5.890 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.354 -6.312 0.763 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.133 -6.654 1.448 1.00 0.39 C ATOM 1006 C HIS A 67 -4.042 -6.758 0.422 1.00 0.35 C ATOM 1007 O HIS A 67 -4.301 -7.175 -0.719 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.267 -7.989 2.205 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.349 -8.041 3.245 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.137 -7.800 4.579 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.658 -8.352 3.135 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.256 -7.965 5.240 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.197 -8.299 4.385 1.00 0.90 N ATOM 0 H HIS A 67 -6.611 -6.947 0.007 1.00 0.35 H new ATOM 0 HA HIS A 67 -4.904 -5.883 2.184 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.448 -8.781 1.478 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.314 -8.210 2.687 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.182 -8.598 2.223 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.384 -7.847 6.306 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.172 -8.488 4.619 1.00 0.90 H new ATOM 1022 N GLY A 68 -2.860 -6.378 0.784 1.00 0.30 N ATOM 1023 CA GLY A 68 -1.782 -6.425 -0.143 1.00 0.31 C ATOM 1024 C GLY A 68 -0.486 -6.096 0.512 1.00 0.24 C ATOM 1025 O GLY A 68 -0.404 -6.025 1.750 1.00 0.26 O ATOM 0 H GLY A 68 -2.619 -6.033 1.713 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.725 -7.419 -0.587 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -1.969 -5.723 -0.956 1.00 0.31 H new ATOM 1029 N CYS A 69 0.513 -5.875 -0.281 1.00 0.21 N ATOM 1030 CA CYS A 69 1.824 -5.582 0.212 1.00 0.20 C ATOM 1031 C CYS A 69 2.585 -4.709 -0.760 1.00 0.19 C ATOM 1032 O CYS A 69 2.590 -4.978 -1.962 1.00 0.22 O ATOM 1033 CB CYS A 69 2.590 -6.899 0.424 1.00 0.25 C ATOM 1034 SG CYS A 69 4.385 -6.709 0.715 1.00 0.36 S ATOM 0 H CYS A 69 0.443 -5.893 -1.298 1.00 0.21 H new ATOM 0 HA CYS A 69 1.729 -5.045 1.156 1.00 0.20 H new ATOM 0 HB2 CYS A 69 2.153 -7.424 1.274 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.444 -7.532 -0.451 1.00 0.25 H new ATOM 1039 N LEU A 70 3.201 -3.658 -0.260 1.00 0.20 N ATOM 1040 CA LEU A 70 4.126 -2.899 -1.068 1.00 0.22 C ATOM 1041 C LEU A 70 5.425 -3.633 -0.945 1.00 0.23 C ATOM 1042 O LEU A 70 5.995 -3.710 0.153 1.00 0.24 O ATOM 1043 CB LEU A 70 4.287 -1.455 -0.582 1.00 0.24 C ATOM 1044 CG LEU A 70 5.232 -0.579 -1.423 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.706 -0.412 -2.831 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.440 0.773 -0.783 1.00 0.28 C ATOM 0 H LEU A 70 3.078 -3.314 0.692 1.00 0.20 H new ATOM 0 HA LEU A 70 3.770 -2.820 -2.095 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.304 -0.984 -0.562 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.653 -1.473 0.445 1.00 0.24 H new ATOM 0 HG LEU A 70 6.194 -1.089 -1.469 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.392 0.211 -3.404 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.621 -1.389 -3.306 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.725 0.063 -2.799 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.112 1.368 -1.401 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.482 1.284 -0.693 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.877 0.643 0.207 1.00 0.28 H new ATOM 1058 N ARG A 71 5.868 -4.218 -2.006 1.00 0.30 N ATOM 1059 CA ARG A 71 6.986 -5.085 -1.914 1.00 0.35 C ATOM 1060 C ARG A 71 8.159 -4.584 -2.700 1.00 0.36 C ATOM 1061 O ARG A 71 8.057 -4.285 -3.894 1.00 0.42 O ATOM 1062 CB ARG A 71 6.583 -6.496 -2.312 1.00 0.51 C ATOM 1063 CG ARG A 71 7.663 -7.541 -2.127 1.00 1.20 C ATOM 1064 CD ARG A 71 7.066 -8.922 -2.223 1.00 1.20 C ATOM 1065 NE ARG A 71 6.042 -9.124 -1.183 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.154 -10.125 -1.146 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.105 -11.023 -2.124 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.309 -10.215 -0.128 1.00 2.68 N ATOM 0 H ARG A 71 5.474 -4.111 -2.941 1.00 0.30 H new ATOM 0 HA ARG A 71 7.316 -5.107 -0.875 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.711 -6.788 -1.727 1.00 0.51 H new ATOM 0 HB3 ARG A 71 6.278 -6.490 -3.358 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.435 -7.416 -2.886 1.00 1.20 H new ATOM 0 HG3 ARG A 71 8.145 -7.411 -1.158 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.622 -9.063 -3.209 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.851 -9.671 -2.117 1.00 1.20 H new ATOM 0 HE ARG A 71 6.007 -8.442 -0.425 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.748 -10.954 -2.913 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.424 -11.782 -2.086 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.338 -9.524 0.621 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.630 -10.976 -0.094 1.00 2.68 H new ATOM 1082 N LEU A 72 9.259 -4.477 -2.019 1.00 0.37 N ATOM 1083 CA LEU A 72 10.473 -4.039 -2.598 1.00 0.42 C ATOM 1084 C LEU A 72 11.396 -5.223 -2.734 1.00 0.44 C ATOM 1085 O LEU A 72 11.849 -5.804 -1.735 1.00 0.49 O ATOM 1086 CB LEU A 72 11.143 -2.898 -1.783 1.00 0.50 C ATOM 1087 CG LEU A 72 10.321 -1.599 -1.613 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.189 -1.729 -0.590 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.202 -0.419 -1.285 1.00 0.61 C ATOM 0 H LEU A 72 9.330 -4.698 -1.026 1.00 0.37 H new ATOM 0 HA LEU A 72 10.257 -3.619 -3.580 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.383 -3.282 -0.792 1.00 0.50 H new ATOM 0 HB3 LEU A 72 12.088 -2.644 -2.264 1.00 0.50 H new ATOM 0 HG LEU A 72 9.852 -1.421 -2.581 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.652 -0.783 -0.519 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.501 -2.514 -0.906 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.606 -1.983 0.384 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.587 0.474 -1.173 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.736 -0.611 -0.354 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.921 -0.267 -2.090 1.00 0.61 H new ATOM 1101 N ASN A 73 11.601 -5.626 -3.964 1.00 0.56 N ATOM 1102 CA ASN A 73 12.492 -6.737 -4.282 1.00 0.72 C ATOM 1103 C ASN A 73 13.919 -6.336 -4.050 1.00 0.73 C ATOM 1104 O ASN A 73 14.722 -7.117 -3.553 1.00 0.87 O ATOM 1105 CB ASN A 73 12.322 -7.233 -5.724 1.00 0.90 C ATOM 1106 CG ASN A 73 10.977 -7.870 -5.994 1.00 1.41 C ATOM 1107 OD1 ASN A 73 10.040 -7.097 -6.481 1.00 2.18 O flip ATOM 1108 ND2 ASN A 73 10.793 -9.070 -5.789 1.00 1.84 N flip ATOM 0 H ASN A 73 11.160 -5.200 -4.779 1.00 0.56 H new ATOM 0 HA ASN A 73 12.224 -7.560 -3.620 1.00 0.72 H new ATOM 0 HB2 ASN A 73 12.460 -6.394 -6.406 1.00 0.90 H new ATOM 0 HB3 ASN A 73 13.107 -7.956 -5.945 1.00 0.90 H new ATOM 0 HD21 ASN A 73 11.546 -9.644 -5.408 1.00 1.84 H new ATOM 0 HD22 ASN A 73 9.888 -9.491 -6.000 1.00 1.84 H new ATOM 1115 N GLN A 74 14.238 -5.125 -4.415 1.00 0.66 N ATOM 1116 CA GLN A 74 15.531 -4.590 -4.180 1.00 0.72 C ATOM 1117 C GLN A 74 15.348 -3.188 -3.643 1.00 0.66 C ATOM 1118 O GLN A 74 14.993 -2.276 -4.397 1.00 0.69 O ATOM 1119 CB GLN A 74 16.373 -4.575 -5.462 1.00 0.86 C ATOM 1120 CG GLN A 74 17.822 -4.165 -5.231 1.00 1.58 C ATOM 1121 CD GLN A 74 18.553 -5.131 -4.316 1.00 2.11 C ATOM 1122 OE1 GLN A 74 18.541 -4.983 -3.092 1.00 2.82 O ATOM 1123 NE2 GLN A 74 19.189 -6.115 -4.885 1.00 2.58 N ATOM 0 H GLN A 74 13.598 -4.486 -4.886 1.00 0.66 H new ATOM 0 HA GLN A 74 16.067 -5.211 -3.463 1.00 0.72 H new ATOM 0 HB2 GLN A 74 16.352 -5.567 -5.913 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.919 -3.889 -6.178 1.00 0.86 H new ATOM 0 HG2 GLN A 74 18.340 -4.112 -6.189 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.850 -3.165 -4.798 1.00 1.58 H new ATOM 0 HE21 GLN A 74 19.179 -6.209 -5.901 1.00 2.58 H new ATOM 0 HE22 GLN A 74 19.697 -6.791 -4.315 1.00 2.58 H new ATOM 1132 N PRO A 75 15.495 -3.007 -2.335 1.00 0.75 N ATOM 1133 CA PRO A 75 15.351 -1.707 -1.717 1.00 0.84 C ATOM 1134 C PRO A 75 16.565 -0.827 -1.994 1.00 0.81 C ATOM 1135 O PRO A 75 17.717 -1.305 -2.010 1.00 0.83 O ATOM 1136 CB PRO A 75 15.262 -2.030 -0.231 1.00 1.06 C ATOM 1137 CG PRO A 75 16.036 -3.284 -0.074 1.00 1.25 C ATOM 1138 CD PRO A 75 15.821 -4.057 -1.343 1.00 0.93 C ATOM 0 HA PRO A 75 14.489 -1.158 -2.095 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.681 -1.227 0.375 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.227 -2.161 0.085 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.094 -3.074 0.082 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.693 -3.850 0.792 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.712 -4.616 -1.628 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.011 -4.779 -1.241 1.00 0.93 H new ATOM 1146 N THR A 76 16.325 0.426 -2.218 1.00 0.86 N ATOM 1147 CA THR A 76 17.388 1.342 -2.473 1.00 0.90 C ATOM 1148 C THR A 76 17.630 2.194 -1.228 1.00 0.84 C ATOM 1149 O THR A 76 16.831 2.111 -0.277 1.00 0.79 O ATOM 1150 CB THR A 76 17.100 2.222 -3.712 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.882 2.958 -3.530 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.989 1.370 -4.972 1.00 1.22 C ATOM 0 H THR A 76 15.393 0.840 -2.229 1.00 0.86 H new ATOM 0 HA THR A 76 18.292 0.776 -2.698 1.00 0.90 H new ATOM 0 HB THR A 76 17.932 2.917 -3.827 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.211 2.381 -3.109 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.786 2.012 -5.829 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.925 0.835 -5.133 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.176 0.653 -4.856 1.00 1.22 H new ATOM 1160 N HIS A 77 18.681 2.996 -1.183 1.00 0.92 N ATOM 1161 CA HIS A 77 18.960 3.734 0.053 1.00 0.94 C ATOM 1162 C HIS A 77 17.913 4.808 0.316 1.00 0.81 C ATOM 1163 O HIS A 77 17.486 4.982 1.453 1.00 0.85 O ATOM 1164 CB HIS A 77 20.402 4.327 0.136 1.00 1.20 C ATOM 1165 CG HIS A 77 20.670 5.555 -0.702 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.656 6.830 -0.197 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.974 5.683 -1.996 1.00 1.62 C ATOM 1168 CE1 HIS A 77 20.939 7.680 -1.152 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.139 7.015 -2.252 1.00 1.72 N ATOM 0 H HIS A 77 19.335 3.154 -1.949 1.00 0.92 H new ATOM 0 HA HIS A 77 18.901 2.987 0.845 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.612 4.571 1.177 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.109 3.551 -0.158 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.072 4.879 -2.711 1.00 1.62 H new ATOM 0 HE1 HIS A 77 20.997 8.753 -1.044 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.379 7.421 -3.156 1.00 1.72 H new ATOM 1178 N VAL A 78 17.433 5.471 -0.754 1.00 0.83 N ATOM 1179 CA VAL A 78 16.510 6.605 -0.593 1.00 0.92 C ATOM 1180 C VAL A 78 15.158 6.210 0.007 1.00 0.90 C ATOM 1181 O VAL A 78 14.378 7.074 0.387 1.00 1.08 O ATOM 1182 CB VAL A 78 16.217 7.409 -1.898 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.442 8.121 -2.431 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.560 6.535 -2.964 1.00 1.14 C ATOM 0 H VAL A 78 17.665 5.245 -1.721 1.00 0.83 H new ATOM 0 HA VAL A 78 17.062 7.244 0.096 1.00 0.92 H new ATOM 0 HB VAL A 78 15.503 8.187 -1.628 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.181 8.664 -3.339 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.810 8.822 -1.682 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.219 7.390 -2.656 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.372 7.130 -3.857 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.222 5.706 -3.213 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.617 6.144 -2.583 1.00 1.14 H new ATOM 1194 N ASN A 79 14.908 4.917 0.103 1.00 0.78 N ATOM 1195 CA ASN A 79 13.606 4.388 0.492 1.00 0.90 C ATOM 1196 C ASN A 79 13.357 4.463 1.985 1.00 0.78 C ATOM 1197 O ASN A 79 12.245 4.213 2.439 1.00 0.96 O ATOM 1198 CB ASN A 79 13.452 2.938 0.011 1.00 1.13 C ATOM 1199 CG ASN A 79 13.447 2.783 -1.499 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.910 1.766 -2.031 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.926 3.758 -2.209 1.00 1.22 N ATOM 0 H ASN A 79 15.605 4.197 -0.087 1.00 0.78 H new ATOM 0 HA ASN A 79 12.860 5.020 0.011 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.265 2.341 0.424 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.523 2.531 0.410 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.896 3.688 -3.226 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.552 4.585 -1.743 1.00 1.22 H new ATOM 1208 N ASN A 80 14.364 4.811 2.752 1.00 0.64 N ATOM 1209 CA ASN A 80 14.199 4.924 4.195 1.00 0.59 C ATOM 1210 C ASN A 80 13.490 6.226 4.587 1.00 0.56 C ATOM 1211 O ASN A 80 14.108 7.197 5.022 1.00 0.88 O ATOM 1212 CB ASN A 80 15.525 4.692 4.987 1.00 0.72 C ATOM 1213 CG ASN A 80 16.743 5.481 4.497 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.636 6.562 3.924 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.915 4.937 4.724 1.00 1.43 N ATOM 0 H ASN A 80 15.302 5.021 2.411 1.00 0.64 H new ATOM 0 HA ASN A 80 13.543 4.106 4.494 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.350 4.944 6.033 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.766 3.630 4.951 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.765 5.413 4.422 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.976 4.038 5.202 1.00 1.43 H new ATOM 1222 N GLY A 81 12.189 6.231 4.401 1.00 0.46 N ATOM 1223 CA GLY A 81 11.379 7.379 4.701 1.00 0.49 C ATOM 1224 C GLY A 81 9.965 6.982 5.053 1.00 0.43 C ATOM 1225 O GLY A 81 9.730 5.850 5.487 1.00 0.40 O ATOM 0 H GLY A 81 11.666 5.435 4.036 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.821 7.930 5.531 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.366 8.051 3.843 1.00 0.49 H new ATOM 1229 N ASN A 82 9.029 7.878 4.813 1.00 0.45 N ATOM 1230 CA ASN A 82 7.633 7.689 5.192 1.00 0.44 C ATOM 1231 C ASN A 82 6.777 7.391 3.986 1.00 0.37 C ATOM 1232 O ASN A 82 6.680 8.207 3.062 1.00 0.46 O ATOM 1233 CB ASN A 82 7.063 8.945 5.884 1.00 0.56 C ATOM 1234 CG ASN A 82 7.758 9.315 7.176 1.00 1.27 C ATOM 1235 OD1 ASN A 82 8.742 10.070 7.173 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.254 8.822 8.289 1.00 1.65 N ATOM 0 H ASN A 82 9.212 8.766 4.346 1.00 0.45 H new ATOM 0 HA ASN A 82 7.610 6.846 5.882 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.130 9.787 5.195 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.004 8.784 6.088 1.00 0.56 H new ATOM 0 HD21 ASN A 82 7.674 9.058 9.188 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.443 8.204 8.252 1.00 1.65 H new ATOM 1243 N TYR A 83 6.172 6.238 3.989 1.00 0.29 N ATOM 1244 CA TYR A 83 5.240 5.846 2.964 1.00 0.27 C ATOM 1245 C TYR A 83 3.834 6.127 3.457 1.00 0.28 C ATOM 1246 O TYR A 83 3.382 5.522 4.428 1.00 0.47 O ATOM 1247 CB TYR A 83 5.367 4.350 2.644 1.00 0.34 C ATOM 1248 CG TYR A 83 6.690 3.934 2.048 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.863 3.843 0.676 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.772 3.643 2.864 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.073 3.474 0.139 1.00 0.69 C ATOM 1252 CE2 TYR A 83 8.986 3.273 2.332 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.102 3.151 0.933 1.00 0.60 C ATOM 1254 OH TYR A 83 10.346 2.825 0.454 1.00 0.69 O ATOM 0 H TYR A 83 6.312 5.532 4.712 1.00 0.29 H new ATOM 0 HA TYR A 83 5.456 6.412 2.058 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.204 3.783 3.561 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.571 4.073 1.952 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.035 4.065 0.019 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.660 3.708 3.936 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.195 3.444 -0.934 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.833 3.080 2.974 1.00 0.55 H new ATOM 0 HH TYR A 83 10.821 2.283 1.118 1.00 0.69 H new ATOM 1264 N THR A 84 3.181 7.057 2.845 1.00 0.22 N ATOM 1265 CA THR A 84 1.835 7.381 3.186 1.00 0.23 C ATOM 1266 C THR A 84 0.906 6.783 2.145 1.00 0.22 C ATOM 1267 O THR A 84 1.064 7.032 0.947 1.00 0.26 O ATOM 1268 CB THR A 84 1.621 8.913 3.256 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.556 9.498 4.193 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.194 9.244 3.691 1.00 0.33 C ATOM 0 H THR A 84 3.569 7.619 2.087 1.00 0.22 H new ATOM 0 HA THR A 84 1.618 6.969 4.171 1.00 0.23 H new ATOM 0 HB THR A 84 1.789 9.326 2.261 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.261 9.312 5.109 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.068 10.326 3.733 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.512 8.824 2.974 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.006 8.819 4.677 1.00 0.33 H new ATOM 1278 N LEU A 85 -0.013 5.983 2.587 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.962 5.379 1.711 1.00 0.19 C ATOM 1280 C LEU A 85 -2.247 6.173 1.757 1.00 0.18 C ATOM 1281 O LEU A 85 -2.843 6.348 2.831 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.209 3.918 2.096 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.178 3.141 1.211 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.679 3.120 -0.203 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.336 1.732 1.711 1.00 0.22 C ATOM 0 H LEU A 85 -0.125 5.731 3.569 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.569 5.385 0.694 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.251 3.397 2.095 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.584 3.892 3.119 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.148 3.637 1.245 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.378 2.563 -0.827 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.595 4.141 -0.575 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.701 2.641 -0.237 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.031 1.193 1.067 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.368 1.231 1.700 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.724 1.749 2.730 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.623 6.695 0.624 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.832 7.461 0.480 1.00 0.22 C ATOM 1299 C LEU A 86 -4.890 6.598 -0.166 1.00 0.22 C ATOM 1300 O LEU A 86 -4.614 5.931 -1.164 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.619 8.708 -0.422 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.683 9.837 0.052 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -3.081 10.359 1.409 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.217 9.437 0.017 1.00 0.32 C ATOM 0 H LEU A 86 -2.090 6.600 -0.241 1.00 0.20 H new ATOM 0 HA LEU A 86 -4.135 7.791 1.474 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.245 8.356 -1.383 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.598 9.151 -0.604 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.800 10.652 -0.663 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.397 11.153 1.708 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -4.097 10.752 1.364 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -3.037 9.549 2.137 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.604 10.270 0.361 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -1.059 8.577 0.668 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.935 9.176 -1.003 1.00 0.32 H new ATOM 1316 N ALA A 87 -6.065 6.583 0.396 1.00 0.21 N ATOM 1317 CA ALA A 87 -7.185 5.898 -0.221 1.00 0.23 C ATOM 1318 C ALA A 87 -8.306 6.879 -0.344 1.00 0.29 C ATOM 1319 O ALA A 87 -8.756 7.415 0.666 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.627 4.701 0.609 1.00 0.24 C ATOM 0 H ALA A 87 -6.281 7.037 1.284 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.889 5.521 -1.200 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.468 4.209 0.120 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.800 3.998 0.702 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.931 5.038 1.600 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.755 7.119 -1.548 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.795 8.098 -1.781 1.00 0.45 C ATOM 1328 C ALA A 88 -11.015 7.471 -2.395 1.00 0.37 C ATOM 1329 O ALA A 88 -10.906 6.692 -3.347 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.283 9.216 -2.675 1.00 0.61 C ATOM 0 H ALA A 88 -8.418 6.650 -2.389 1.00 0.36 H new ATOM 0 HA ALA A 88 -10.077 8.513 -0.813 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -10.078 9.943 -2.840 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.436 9.707 -2.195 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.967 8.801 -3.632 1.00 0.61 H new ATOM 1336 N ASN A 89 -12.155 7.786 -1.836 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.439 7.350 -2.344 1.00 0.58 C ATOM 1338 C ASN A 89 -14.452 8.481 -2.095 1.00 0.57 C ATOM 1339 O ASN A 89 -14.065 9.479 -1.473 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.898 5.986 -1.708 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.176 5.991 -0.198 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.536 7.003 0.409 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.091 4.830 0.400 1.00 1.18 N ATOM 0 H ASN A 89 -12.223 8.364 -0.998 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.365 7.153 -3.413 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.803 5.659 -2.220 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -13.130 5.240 -1.911 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.325 4.748 1.389 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.791 4.008 -0.123 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.725 8.399 -2.581 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.742 9.462 -2.369 1.00 0.68 C ATOM 1352 C PRO A 90 -16.875 9.969 -0.911 1.00 0.56 C ATOM 1353 O PRO A 90 -17.125 11.157 -0.689 1.00 0.63 O ATOM 1354 CB PRO A 90 -18.026 8.785 -2.815 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.588 7.883 -3.903 1.00 1.00 C ATOM 1356 CD PRO A 90 -16.277 7.319 -3.444 1.00 0.74 C ATOM 0 HA PRO A 90 -16.474 10.366 -2.916 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.491 8.232 -1.999 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.760 9.510 -3.167 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -18.318 7.092 -4.076 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.476 8.425 -4.842 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.410 6.390 -2.890 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.618 7.098 -4.283 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.664 9.092 0.064 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.802 9.472 1.469 1.00 0.50 C ATOM 1366 C CYS A 91 -15.621 10.329 1.926 1.00 0.46 C ATOM 1367 O CYS A 91 -15.788 11.271 2.711 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.958 8.237 2.379 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.141 8.630 4.164 1.00 1.10 S ATOM 0 H CYS A 91 -16.398 8.119 -0.089 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.712 10.066 1.555 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.829 7.668 2.053 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.089 7.592 2.248 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.438 10.028 1.430 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.290 10.788 1.820 1.00 0.58 C ATOM 1376 C GLY A 92 -12.009 10.107 1.455 1.00 0.49 C ATOM 1377 O GLY A 92 -12.006 9.149 0.667 1.00 0.59 O ATOM 0 H GLY A 92 -14.257 9.274 0.768 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.327 11.768 1.344 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.316 10.955 2.897 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.933 10.590 2.012 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.635 10.051 1.768 1.00 0.42 C ATOM 1383 C GLN A 93 -8.968 9.767 3.100 1.00 0.41 C ATOM 1384 O GLN A 93 -9.069 10.568 4.048 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.798 11.034 0.937 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.471 10.473 0.429 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.710 11.469 -0.422 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.785 12.679 -0.206 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -6.016 10.989 -1.418 1.00 1.33 N ATOM 0 H GLN A 93 -10.939 11.381 2.657 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.719 9.124 1.201 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.390 11.361 0.082 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.595 11.918 1.541 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.855 10.180 1.279 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.660 9.571 -0.154 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.973 9.981 -1.571 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.517 11.621 -2.043 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.356 8.627 3.195 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.644 8.228 4.386 1.00 0.33 C ATOM 1400 C ALA A 94 -6.169 8.326 4.122 1.00 0.31 C ATOM 1401 O ALA A 94 -5.742 8.232 2.960 1.00 0.30 O ATOM 1402 CB ALA A 94 -7.995 6.811 4.754 1.00 0.37 C ATOM 0 H ALA A 94 -8.332 7.936 2.445 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.923 8.883 5.212 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.451 6.523 5.654 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.067 6.738 4.939 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.722 6.144 3.936 1.00 0.37 H new ATOM 1408 N SER A 95 -5.400 8.502 5.163 1.00 0.36 N ATOM 1409 CA SER A 95 -3.985 8.623 5.034 1.00 0.37 C ATOM 1410 C SER A 95 -3.268 8.024 6.243 1.00 0.38 C ATOM 1411 O SER A 95 -3.444 8.476 7.384 1.00 0.57 O ATOM 1412 CB SER A 95 -3.631 10.105 4.851 1.00 0.43 C ATOM 1413 OG SER A 95 -4.340 10.927 5.783 1.00 0.50 O ATOM 0 H SER A 95 -5.743 8.565 6.121 1.00 0.36 H new ATOM 0 HA SER A 95 -3.650 8.063 4.161 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.558 10.244 4.983 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.870 10.415 3.834 1.00 0.43 H new ATOM 0 HG SER A 95 -4.362 10.485 6.658 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.459 7.037 5.990 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.671 6.398 7.016 1.00 0.27 C ATOM 1421 C ALA A 96 -0.236 6.432 6.568 1.00 0.23 C ATOM 1422 O ALA A 96 0.017 6.396 5.369 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.132 4.962 7.230 1.00 0.30 C ATOM 0 H ALA A 96 -2.323 6.645 5.058 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.786 6.920 7.966 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.526 4.497 8.007 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.179 4.957 7.535 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.022 4.402 6.301 1.00 0.30 H new ATOM 1429 N SER A 97 0.690 6.517 7.486 1.00 0.26 N ATOM 1430 CA SER A 97 2.091 6.607 7.125 1.00 0.28 C ATOM 1431 C SER A 97 2.923 5.558 7.853 1.00 0.25 C ATOM 1432 O SER A 97 2.681 5.268 9.030 1.00 0.38 O ATOM 1433 CB SER A 97 2.611 8.013 7.420 1.00 0.41 C ATOM 1434 OG SER A 97 1.834 8.986 6.730 1.00 1.26 O ATOM 0 H SER A 97 0.506 6.526 8.489 1.00 0.26 H new ATOM 0 HA SER A 97 2.184 6.410 6.057 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.574 8.203 8.493 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.655 8.092 7.118 1.00 0.41 H new ATOM 0 HG SER A 97 2.178 9.881 6.930 1.00 1.26 H new ATOM 1440 N ILE A 98 3.866 4.974 7.145 1.00 0.25 N ATOM 1441 CA ILE A 98 4.766 3.985 7.702 1.00 0.28 C ATOM 1442 C ILE A 98 6.216 4.317 7.270 1.00 0.28 C ATOM 1443 O ILE A 98 6.498 4.492 6.082 1.00 0.30 O ATOM 1444 CB ILE A 98 4.299 2.515 7.281 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.145 1.360 7.919 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.216 2.349 5.762 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.528 1.130 7.324 1.00 0.37 C ATOM 0 H ILE A 98 4.031 5.173 6.158 1.00 0.25 H new ATOM 0 HA ILE A 98 4.739 4.011 8.791 1.00 0.28 H new ATOM 0 HB ILE A 98 3.296 2.419 7.697 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.260 1.567 8.983 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.578 0.433 7.835 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.895 1.335 5.524 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.498 3.062 5.357 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.196 2.532 5.322 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.017 0.307 7.846 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.433 0.883 6.267 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.126 2.035 7.433 1.00 0.37 H new ATOM 1459 N MET A 99 7.096 4.471 8.236 1.00 0.34 N ATOM 1460 CA MET A 99 8.505 4.724 7.969 1.00 0.41 C ATOM 1461 C MET A 99 9.282 3.429 8.070 1.00 0.40 C ATOM 1462 O MET A 99 9.254 2.757 9.111 1.00 0.51 O ATOM 1463 CB MET A 99 9.102 5.766 8.937 1.00 0.59 C ATOM 1464 CG MET A 99 10.624 5.928 8.795 1.00 0.85 C ATOM 1465 SD MET A 99 11.352 7.125 9.940 1.00 1.25 S ATOM 1466 CE MET A 99 10.724 8.661 9.286 1.00 1.18 C ATOM 0 H MET A 99 6.861 4.425 9.227 1.00 0.34 H new ATOM 0 HA MET A 99 8.582 5.130 6.961 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.623 6.730 8.762 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.869 5.475 9.961 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.097 4.959 8.951 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.852 6.234 7.774 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.428 9.464 9.504 1.00 1.18 H new ATOM 0 HE2 MET A 99 10.597 8.572 8.207 1.00 1.18 H new ATOM 0 HE3 MET A 99 9.762 8.887 9.747 1.00 1.18 H new ATOM 1476 N ALA A 100 9.973 3.078 7.019 1.00 0.42 N ATOM 1477 CA ALA A 100 10.725 1.851 6.997 1.00 0.48 C ATOM 1478 C ALA A 100 12.200 2.122 6.764 1.00 0.48 C ATOM 1479 O ALA A 100 12.568 2.816 5.822 1.00 0.57 O ATOM 1480 CB ALA A 100 10.175 0.908 5.937 1.00 0.58 C ATOM 0 H ALA A 100 10.031 3.628 6.162 1.00 0.42 H new ATOM 0 HA ALA A 100 10.622 1.371 7.970 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.755 -0.015 5.934 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.132 0.680 6.158 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.243 1.382 4.958 1.00 0.58 H new ATOM 1486 N ALA A 101 13.023 1.615 7.647 1.00 0.56 N ATOM 1487 CA ALA A 101 14.455 1.718 7.520 1.00 0.65 C ATOM 1488 C ALA A 101 14.961 0.522 6.737 1.00 0.66 C ATOM 1489 O ALA A 101 14.862 -0.615 7.195 1.00 0.77 O ATOM 1490 CB ALA A 101 15.095 1.752 8.899 1.00 0.84 C ATOM 0 H ALA A 101 12.715 1.115 8.481 1.00 0.56 H new ATOM 0 HA ALA A 101 14.717 2.637 6.995 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.177 1.830 8.796 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.720 2.613 9.453 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.847 0.838 9.438 1.00 0.84 H new ATOM 1496 N PHE A 102 15.464 0.773 5.556 1.00 0.75 N ATOM 1497 CA PHE A 102 15.949 -0.294 4.693 1.00 0.87 C ATOM 1498 C PHE A 102 17.436 -0.537 4.891 1.00 1.20 C ATOM 1499 O PHE A 102 17.825 -1.456 5.610 1.00 2.05 O ATOM 1500 CB PHE A 102 15.613 -0.024 3.222 1.00 0.97 C ATOM 1501 CG PHE A 102 14.137 -0.013 2.943 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.495 -1.147 2.515 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.400 1.138 3.103 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.146 -1.137 2.253 1.00 3.25 C ATOM 1505 CE2 PHE A 102 12.046 1.155 2.844 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.414 0.001 2.439 1.00 3.86 C ATOM 0 H PHE A 102 15.552 1.709 5.161 1.00 0.75 H new ATOM 0 HA PHE A 102 15.429 -1.208 4.981 1.00 0.87 H new ATOM 0 HB2 PHE A 102 16.038 0.936 2.929 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.087 -0.785 2.602 1.00 0.97 H new ATOM 0 HD1 PHE A 102 14.057 -2.060 2.382 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.889 2.041 3.436 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.662 -2.035 1.898 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.483 2.070 2.958 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.347 -0.004 2.270 1.00 3.86 H new